smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000019859508 291382560 /nfs/dbraw/zinc/38/25/60/291382560.db2.gz DRNFJHDNEUXAMP-UHFFFAOYSA-N 0 0 446.547 4.260 50 0 IIAARN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000000639269 193866849 /nfs/dbraw/zinc/86/68/49/193866849.db2.gz HWBBVBWPAKIVDC-UHFFFAOYSA-N 0 0 435.277 4.350 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000000648825 193871147 /nfs/dbraw/zinc/87/11/47/193871147.db2.gz SBJXQISQOGMCSD-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000000655042 193874027 /nfs/dbraw/zinc/87/40/27/193874027.db2.gz SGJWDWOZKFHUMS-UHFFFAOYSA-N 0 0 449.454 4.243 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccco1 ZINC000009834200 193901044 /nfs/dbraw/zinc/90/10/44/193901044.db2.gz KHOSZLRRDVGSCQ-QHCPKHFHSA-N 0 0 435.867 4.051 50 0 IIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccccc1Oc1ccccc1 ZINC000009841842 193903650 /nfs/dbraw/zinc/90/36/50/193903650.db2.gz AYSFARJKRODDHF-XMMPIXPASA-N 0 0 447.516 4.263 50 0 IIAARN O=C([C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000009847318 193905587 /nfs/dbraw/zinc/90/55/87/193905587.db2.gz BFGRMBWAUVUDEW-OAQYLSRUSA-N 0 0 446.532 4.220 50 0 IIAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009831961 193899297 /nfs/dbraw/zinc/89/92/97/193899297.db2.gz HLZKSMDKXBDVIB-UHFFFAOYSA-N 0 0 446.486 4.432 50 0 IIAARN COc1ccccc1N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000055095285 193935637 /nfs/dbraw/zinc/93/56/37/193935637.db2.gz ARVGNUQSJUPDIF-UHFFFAOYSA-N 0 0 427.854 4.128 50 0 IIAARN O=C(COC(=O)c1ccc(Cl)s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009284038 132229645 /nfs/dbraw/zinc/22/96/45/132229645.db2.gz QFJBZDGZLOABQJ-UHFFFAOYSA-N 0 0 448.850 4.052 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)COc4ccccc4)cc32)cc1 ZINC000009738519 132240311 /nfs/dbraw/zinc/24/03/11/132240311.db2.gz FZNHZYVVHSARCW-UHFFFAOYSA-N 0 0 436.533 4.154 50 0 IIAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002220272 132249240 /nfs/dbraw/zinc/24/92/40/132249240.db2.gz RMQJRTNFKFBCFH-UHFFFAOYSA-N 0 0 442.972 4.500 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1 ZINC000002437733 132254324 /nfs/dbraw/zinc/25/43/24/132254324.db2.gz CZFKPWXCBHDEBY-FQEVSTJZSA-N 0 0 428.536 4.033 50 0 aggregator IIAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2Cl)CC1 ZINC000002879712 132258031 /nfs/dbraw/zinc/25/80/31/132258031.db2.gz UBRQHGWZUWQQSM-UHFFFAOYSA-N 0 0 440.725 4.006 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(C)nc(N3CCOCC3)c12 ZINC000002911556 132258569 /nfs/dbraw/zinc/25/85/69/132258569.db2.gz RGJMUEVHRIPJIY-UHFFFAOYSA-N 0 0 436.459 4.416 50 0 IIAARN CSCC[C@H](C(=O)Nc1ccccc1N1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000003281565 132263088 /nfs/dbraw/zinc/26/30/88/132263088.db2.gz KBLQOVXQEAPDET-OAQYLSRUSA-N 0 0 437.565 4.033 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1 ZINC000003328747 132263947 /nfs/dbraw/zinc/26/39/47/132263947.db2.gz IXRRMMZBIFMSIR-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN c1ccc(N2CCN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC000003447644 132265591 /nfs/dbraw/zinc/26/55/91/132265591.db2.gz BYLVHVQVEOOUMM-UHFFFAOYSA-N 0 0 448.640 4.278 50 0 IIAARN COCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003586228 132266437 /nfs/dbraw/zinc/26/64/37/132266437.db2.gz AAMLDWAVTGPJPS-KOEQRZSOSA-N 0 0 442.515 4.338 50 0 IIAARN COCCCNC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000005022167 132274817 /nfs/dbraw/zinc/27/48/17/132274817.db2.gz FMPLMQWTNXXMHR-AVRDEDQJSA-N 0 0 426.582 4.100 50 0 IIAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000005225534 132275075 /nfs/dbraw/zinc/27/50/75/132275075.db2.gz LIYSTZCIWVOZKZ-INIZCTEOSA-N 0 0 432.501 4.178 50 0 IIAARN O=C(CN1CCCCC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008453979 132282352 /nfs/dbraw/zinc/28/23/52/132282352.db2.gz XWDHDYOHHPDPOC-UHFFFAOYSA-N 0 0 432.520 4.137 50 0 IIAARN Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000008596429 132285093 /nfs/dbraw/zinc/28/50/93/132285093.db2.gz HGRICRPPLVHNGY-UHFFFAOYSA-N 0 0 434.920 4.154 50 0 IIAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCN(c2cccc(OC)c2)CC1 ZINC000008599789 132286137 /nfs/dbraw/zinc/28/61/37/132286137.db2.gz XOSCEBCNVNIFQV-UHFFFAOYSA-N 0 0 427.888 4.117 50 0 IIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000008768850 132293783 /nfs/dbraw/zinc/29/37/83/132293783.db2.gz OUQGAMJCYWRSOS-UHFFFAOYSA-N 0 0 435.546 4.171 50 0 IIAARN CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008840735 132295889 /nfs/dbraw/zinc/29/58/89/132295889.db2.gz INSZNDWNMJKBRT-UHFFFAOYSA-N 0 0 437.359 4.329 50 0 IIAARN O=C(c1ccc(C[S@](=O)c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 ZINC000009115508 132303609 /nfs/dbraw/zinc/30/36/09/132303609.db2.gz HNCYJMIWXKDCIW-GDLZYMKVSA-N 0 0 428.941 4.203 50 0 IIAARN C[C@@H]1CN(C(=O)CCC(=O)NCc2cccc(Br)c2)c2ccccc2S1 ZINC000009115923 132303772 /nfs/dbraw/zinc/30/37/72/132303772.db2.gz HSTJTOZDLLKYOC-CQSZACIVSA-N 0 0 433.371 4.373 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC[C@@H](C)C4)c(F)cc3c2=O)cc1 ZINC000009119039 132304616 /nfs/dbraw/zinc/30/46/16/132304616.db2.gz DDOGFBPHIPSFID-MRXNPFEDSA-N 0 0 428.529 4.055 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4C[C@@H](C)C[C@H](C)C4)c(F)cc3c2=O)cc1 ZINC000009119042 132304626 /nfs/dbraw/zinc/30/46/26/132304626.db2.gz VSICBJULFYEZQC-IRXDYDNUSA-N 0 0 442.556 4.301 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCC4)c(F)cc3c2=O)cc1C ZINC000009119115 132304646 /nfs/dbraw/zinc/30/46/46/132304646.db2.gz YSINCOKCBMOPMX-UHFFFAOYSA-N 0 0 428.529 4.118 50 0 IIAARN CC(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211202 132309115 /nfs/dbraw/zinc/30/91/15/132309115.db2.gz IOCPCOAQYONVRR-OAQYLSRUSA-N 0 0 446.599 4.206 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C(C)(C)C)CC2)c1 ZINC000009228462 132310021 /nfs/dbraw/zinc/31/00/21/132310021.db2.gz PNVNCULEGUNOAD-UHFFFAOYSA-N 0 0 435.524 4.388 50 0 IIAARN COc1cc2c(cc1OC)-c1cc(Nc3ccc(N4CCC(C)CC4)cc3)nc(=O)n1CC2 ZINC000009309051 132313297 /nfs/dbraw/zinc/31/32/97/132313297.db2.gz YOAKBRNAFSGRLW-UHFFFAOYSA-N 0 0 446.551 4.464 50 0 IIAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000009405874 132315156 /nfs/dbraw/zinc/31/51/56/132315156.db2.gz SDJBPJKTAHBVPE-QGZVFWFLSA-N 0 0 441.959 4.118 50 0 IIAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000009406079 132315571 /nfs/dbraw/zinc/31/55/71/132315571.db2.gz NVHHQIPTRWDTQH-JOCHJYFZSA-N 0 0 435.568 4.163 50 0 IIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(F)c(F)c1 ZINC000009569406 132321824 /nfs/dbraw/zinc/32/18/24/132321824.db2.gz CGYINLMISSVKFK-UHFFFAOYSA-N 0 0 428.460 4.359 50 0 IIAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccccc1 ZINC000009611061 132323307 /nfs/dbraw/zinc/32/33/07/132323307.db2.gz LQFOXHUBETUVLT-UHFFFAOYSA-N 0 0 443.576 4.268 50 0 IIAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009670314 132324915 /nfs/dbraw/zinc/32/49/15/132324915.db2.gz JUBWIOOIDHDLTM-KRWDZBQOSA-N 0 0 437.569 4.386 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)Oc3ccccc32)cc1 ZINC000009699507 132326621 /nfs/dbraw/zinc/32/66/21/132326621.db2.gz YZXZFPIBVFIHTA-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN Fc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1 ZINC000009708856 132326896 /nfs/dbraw/zinc/32/68/96/132326896.db2.gz KZWCIHCMAVWDMP-UHFFFAOYSA-N 0 0 434.397 4.353 50 0 IIAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000009783347 132328986 /nfs/dbraw/zinc/32/89/86/132328986.db2.gz SPGWNKKBBYKNQI-HNNXBMFYSA-N 0 0 447.564 4.389 50 0 IIAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000009783329 132329039 /nfs/dbraw/zinc/32/90/39/132329039.db2.gz ZGOANFSNBZRCOM-OAHLLOKOSA-N 0 0 447.564 4.389 50 0 IIAARN CC(=O)N1C[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)Oc2ccccc21 ZINC000009797718 132329274 /nfs/dbraw/zinc/32/92/74/132329274.db2.gz RMYYXGAGOFLLEJ-JOCHJYFZSA-N 0 0 433.533 4.442 50 0 IIAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009873625 132330647 /nfs/dbraw/zinc/33/06/47/132330647.db2.gz VMHLLWHYEVZLOD-DEOSSOPVSA-N 0 0 430.479 4.242 50 0 IIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009906909 132331158 /nfs/dbraw/zinc/33/11/58/132331158.db2.gz UUYRFTDFCQNESX-UHFFFAOYSA-N 0 0 447.322 4.451 50 0 IIAARN O=C(NCCCCCc1nc(-c2cccs2)no1)N1CCN(c2ccccc2F)CC1 ZINC000009940236 132332448 /nfs/dbraw/zinc/33/24/48/132332448.db2.gz WGRGAAAOKUSHLY-UHFFFAOYSA-N 0 0 443.548 4.182 50 0 IIAARN O=C(COc1ccc2ccccc2c1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009953677 132332761 /nfs/dbraw/zinc/33/27/61/132332761.db2.gz YUBWYXQBDGPMAL-DEOSSOPVSA-N 0 0 430.504 4.025 50 0 IIAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000010467305 132335824 /nfs/dbraw/zinc/33/58/24/132335824.db2.gz SIMGOCIATWHKDW-HXUWFJFHSA-N 0 0 431.565 4.288 50 0 IIAARN Cc1cc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)nc(C(C)C)n1 ZINC000010988257 132336904 /nfs/dbraw/zinc/33/69/04/132336904.db2.gz OXQAKGKYTYYQKQ-UHFFFAOYSA-N 0 0 446.477 4.299 50 0 IIAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nn2)n1 ZINC000011697256 132338974 /nfs/dbraw/zinc/33/89/74/132338974.db2.gz OBPYIOSRBPTVEY-UHFFFAOYSA-N 0 0 441.898 4.070 50 0 IIAARN CCCCCCOc1ccc(C(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1OC ZINC000013018986 132342598 /nfs/dbraw/zinc/34/25/98/132342598.db2.gz SGHDSGJMJNHNMQ-UHFFFAOYSA-N 0 0 432.952 4.060 50 0 IIAARN C[C@H](NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000013038303 132342953 /nfs/dbraw/zinc/34/29/53/132342953.db2.gz OTPKOZJDLWZBMP-HNNXBMFYSA-N 0 0 425.882 4.358 50 0 IIAARN Cc1cc(C)c(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC000013041359 132343463 /nfs/dbraw/zinc/34/34/63/132343463.db2.gz LTMPFZXPQGNXEH-UHFFFAOYSA-N 0 0 441.881 4.407 50 0 IIAARN CC[C@@H](c1nnc(SCC(=O)N2CCCc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000013116914 132344930 /nfs/dbraw/zinc/34/49/30/132344930.db2.gz KMHMEGVFXPRWLB-NRFANRHFSA-N 0 0 449.624 4.411 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013570454 132350646 /nfs/dbraw/zinc/35/06/46/132350646.db2.gz BKGOMQHRXWUCLL-SLYNCCJLSA-N 0 0 434.540 4.110 50 0 IIAARN COc1ccc(OC)c(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013830058 132354895 /nfs/dbraw/zinc/35/48/95/132354895.db2.gz ZDHKXEMVQLLXLC-UHFFFAOYSA-N 0 0 425.476 4.242 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000013878795 132355170 /nfs/dbraw/zinc/35/51/70/132355170.db2.gz WULBATBMMKEPSA-KOSHJBKYSA-N 0 0 449.576 4.159 50 0 IIAARN Cc1ccc(-c2csc3ncnc(N4CCN([C@@H](C(N)=O)c5ccccc5)CC4)c23)cc1 ZINC000014198716 132356792 /nfs/dbraw/zinc/35/67/92/132356792.db2.gz HCNUDTFMARVRHE-JOCHJYFZSA-N 0 0 443.576 4.015 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCCC[C@@H]1c1nc3ccccc3s1)OCO2 ZINC000012782418 518292920 /nfs/dbraw/zinc/29/29/20/518292920.db2.gz IRRDSBOJQCLAJV-GOSISDBHSA-N 0 0 437.521 4.393 50 0 IIAARN CC(=O)c1ccc(N2CCN(Cn3nc(C)n(-c4ccc(C)cc4)c3=S)CC2)c(F)c1 ZINC000012517615 518351644 /nfs/dbraw/zinc/35/16/44/518351644.db2.gz VYOHRFXMBADSFB-UHFFFAOYSA-N 0 0 439.560 4.142 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 ZINC000012548718 518409200 /nfs/dbraw/zinc/40/92/00/518409200.db2.gz HHJYOONDKFWAQM-QGZVFWFLSA-N 0 0 436.533 4.489 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)c1 ZINC000012628661 518431452 /nfs/dbraw/zinc/43/14/52/518431452.db2.gz MVASKCWCKMJLOU-UHFFFAOYSA-N 0 0 430.533 4.493 50 0 IIAARN CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 ZINC000012774564 518452944 /nfs/dbraw/zinc/45/29/44/518452944.db2.gz OZWCSZOJDHEVDL-IBGZPJMESA-N 0 0 434.517 4.076 50 0 IIAARN CC(=O)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000014964697 518464745 /nfs/dbraw/zinc/46/47/45/518464745.db2.gz BJRHUFFMXOBFKH-UHFFFAOYSA-N 0 0 449.486 4.346 50 0 IIAARN CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000014658005 518497916 /nfs/dbraw/zinc/49/79/16/518497916.db2.gz FKXNVXJHKTTYIU-UHFFFAOYSA-N 0 0 428.535 4.124 50 0 IIAARN CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000012922932 518737133 /nfs/dbraw/zinc/73/71/33/518737133.db2.gz DQNLGGLECDTVRE-UHFFFAOYSA-N 0 0 442.519 4.218 50 0 IIAARN CC(C)(C)c1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020519403 519005588 /nfs/dbraw/zinc/00/55/88/519005588.db2.gz FHHKDDTWXLJDDX-UHFFFAOYSA-N 0 0 427.980 4.481 50 0 IIAARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012929510 519006066 /nfs/dbraw/zinc/00/60/66/519006066.db2.gz NGDPPFZBVOBGKV-GFCCVEGCSA-N 0 0 430.357 4.099 50 0 IIAARN CC(C)C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000012917515 519455568 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0 427.932 4.436 50 0 IIAARN CCOc1ccccc1C(=O)NCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878662 521456627 /nfs/dbraw/zinc/45/66/27/521456627.db2.gz IQIHYZLBPCWKQQ-ZCCKZZATSA-N 0 0 440.543 4.229 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000020445873 521573617 /nfs/dbraw/zinc/57/36/17/521573617.db2.gz WSQLIVDOGCTSDP-OALUTQOASA-N 0 0 443.960 4.290 50 0 IIAARN CCOC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(Cl)ccc1OC)OCC ZINC000020757817 521632521 /nfs/dbraw/zinc/63/25/21/521632521.db2.gz CXSJBDKOFLFQOG-UHFFFAOYSA-N 0 0 431.920 4.125 50 0 IIAARN CCCn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)nnc1-c1cccc(C)c1 ZINC000012888442 521632941 /nfs/dbraw/zinc/63/29/41/521632941.db2.gz LAYPGVSZKUCDEE-MRXNPFEDSA-N 0 0 438.553 4.362 50 0 IIAARN CCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1C1CC1 ZINC000017099157 521634245 /nfs/dbraw/zinc/63/42/45/521634245.db2.gz APBVKXJTGVQAKD-UHFFFAOYSA-N 0 0 434.587 4.023 50 0 IIAARN CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 ZINC000012863115 521635995 /nfs/dbraw/zinc/63/59/95/521635995.db2.gz OFBBJGDUVQMPMV-QGZVFWFLSA-N 0 0 439.585 4.261 50 0 IIAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(C)cc3C)CC2)c1=O ZINC000033290650 521639223 /nfs/dbraw/zinc/63/92/23/521639223.db2.gz XVRHWMZHSLCLCD-UHFFFAOYSA-N 0 0 433.556 4.214 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020846406 521684438 /nfs/dbraw/zinc/68/44/38/521684438.db2.gz ZQKPGEAGPYCSTD-HXUWFJFHSA-N 0 0 441.484 4.172 50 0 IIAARN CCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000035973104 521739372 /nfs/dbraw/zinc/73/93/72/521739372.db2.gz MKZXQKUUUYZLCM-UHFFFAOYSA-N 0 0 438.528 4.160 50 0 IIAARN CCc1cccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(CC)c2=O)c1 ZINC000021641152 521749388 /nfs/dbraw/zinc/74/93/88/521749388.db2.gz VFMPQOWJGITKBH-UHFFFAOYSA-N 0 0 429.524 4.044 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C ZINC000012825399 521750380 /nfs/dbraw/zinc/75/03/80/521750380.db2.gz JEOADBQTACGTIX-CQSZACIVSA-N 0 0 443.427 4.157 50 0 IIAARN COc1c2c(c(Br)c(C[C@@H]3CC(c4ccc(F)cc4)=NO3)c1OC)OCO2 ZINC000015084713 521882435 /nfs/dbraw/zinc/88/24/35/521882435.db2.gz JZANKHVWXBAVAG-GFCCVEGCSA-N 0 0 438.249 4.070 50 0 IIAARN CCc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)C1 ZINC000012218596 522001864 /nfs/dbraw/zinc/00/18/64/522001864.db2.gz KNXROTNCNOFXMR-HXUWFJFHSA-N 0 0 447.535 4.240 50 0 IIAARN COc1cc(Br)c(CC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1OC ZINC000012540923 522022647 /nfs/dbraw/zinc/02/26/47/522022647.db2.gz ZNMDOYZRACFDKK-AWEZNQCLSA-N 0 0 444.329 4.072 50 0 IIAARN COC(=O)c1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 ZINC000012520097 522026332 /nfs/dbraw/zinc/02/63/32/522026332.db2.gz AUGOBPMOMINPBB-UHFFFAOYSA-N 0 0 431.517 4.343 50 0 IIAARN COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000009663580 522043366 /nfs/dbraw/zinc/04/33/66/522043366.db2.gz VQCXEAASYIXEGN-UHFFFAOYSA-N 0 0 443.455 4.248 50 0 IIAARN COc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc(OC)c1OC ZINC000012442835 522074472 /nfs/dbraw/zinc/07/44/72/522074472.db2.gz DNUZIEYWOLEYBD-OAHLLOKOSA-N 0 0 431.916 4.409 50 0 IIAARN COc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1C ZINC000012445228 522222839 /nfs/dbraw/zinc/22/28/39/522222839.db2.gz IUCMNGQPNKPWAV-UHFFFAOYSA-N 0 0 426.490 4.437 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1cccc(C)c1C ZINC000012462914 522271643 /nfs/dbraw/zinc/27/16/43/522271643.db2.gz XHGAUGLGOSHTLR-UHFFFAOYSA-N 0 0 432.476 4.360 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F ZINC000020721732 522277612 /nfs/dbraw/zinc/27/76/12/522277612.db2.gz UBWPORIAETWCOG-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)c1cccc(F)c1 ZINC000035961593 522451437 /nfs/dbraw/zinc/45/14/37/522451437.db2.gz JLUKIRGKINFLSL-HXUWFJFHSA-N 0 0 439.487 4.476 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035948252 522452301 /nfs/dbraw/zinc/45/23/01/522452301.db2.gz BHDNQOYSCYTHMM-QGZVFWFLSA-N 0 0 427.913 4.444 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)CC(C)(C)C ZINC000035948711 522452563 /nfs/dbraw/zinc/45/25/63/522452563.db2.gz AGCBFNRXADGKGP-QGZVFWFLSA-N 0 0 441.553 4.049 50 0 IIAARN CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nc2ccccc2c1=O ZINC000021279663 522454099 /nfs/dbraw/zinc/45/40/99/522454099.db2.gz IRPZSLZJPCVSHW-CVEARBPZSA-N 0 0 425.554 4.346 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc(F)cc2c1OCOC2 ZINC000012800057 522502464 /nfs/dbraw/zinc/50/24/64/522502464.db2.gz NCPMFFRHQADECR-UHFFFAOYSA-N 0 0 432.801 4.435 50 0 IIAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)/C=C/c1cccc2cccnc12 ZINC000012811974 522505635 /nfs/dbraw/zinc/50/56/35/522505635.db2.gz NSRUGSRONGAQQS-KPKJPENVSA-N 0 0 429.398 4.244 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000012678666 522512244 /nfs/dbraw/zinc/51/22/44/522512244.db2.gz CJRKXWXZBBEMBP-UHFFFAOYSA-N 0 0 437.974 4.444 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012764727 522514318 /nfs/dbraw/zinc/51/43/18/522514318.db2.gz RGEOHYIPFAAHOM-IAGOWNOFSA-N 0 0 429.948 4.335 50 0 IIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012862605 522517190 /nfs/dbraw/zinc/51/71/90/522517190.db2.gz TYFMEVXBKBMRSP-UHFFFAOYSA-N 0 0 442.313 4.134 50 0 IIAARN COc1cc(Cl)ccc1NC(=O)CCCSc1nc2c3ccccc3ncn2n1 ZINC000012810362 522558460 /nfs/dbraw/zinc/55/84/60/522558460.db2.gz QRJPDTOFUJMVLU-UHFFFAOYSA-N 0 0 427.917 4.451 50 0 IIAARN COc1cc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(OC)cc1Cl ZINC000012773777 522655199 /nfs/dbraw/zinc/65/51/99/522655199.db2.gz PLUPFCJIEALGDD-UHFFFAOYSA-N 0 0 447.944 4.036 50 0 IIAARN COc1cc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c(OC)cc1Cl ZINC000020767856 522731438 /nfs/dbraw/zinc/73/14/38/522731438.db2.gz KLNJPELAWHKFBV-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000020445667 522805428 /nfs/dbraw/zinc/80/54/28/522805428.db2.gz ANOMQJOWVYWHCK-ZWKOTPCHSA-N 0 0 447.923 4.039 50 0 IIAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4)c3)nn12 ZINC000012855481 522806672 /nfs/dbraw/zinc/80/66/72/522806672.db2.gz OJBACBVJRNFHNS-UHFFFAOYSA-N 0 0 427.917 4.395 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000035428431 522889344 /nfs/dbraw/zinc/88/93/44/522889344.db2.gz GTJFXCDLUGWQCL-NRFANRHFSA-N 0 0 447.491 4.279 50 0 IIAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)cc1C ZINC000001111313 522894474 /nfs/dbraw/zinc/89/44/74/522894474.db2.gz LJZDFLNSGAIQPW-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN COc1cc([C@H]2CC(=O)Oc3c4c5c(c(=O)oc4cc(C)c32)CCC5)cc(OC)c1OC ZINC000263586349 522960302 /nfs/dbraw/zinc/96/03/02/522960302.db2.gz SVRVQIXBNFLGDY-MRXNPFEDSA-N 0 0 436.460 4.057 50 0 biogenic IIAARN COc1cc2[nH]c3c(ncn(CCC(=O)Nc4ccccc4C(C)C)c3=O)c2cc1OC ZINC000035424316 522988908 /nfs/dbraw/zinc/98/89/08/522988908.db2.gz DUWZLIQVDRVJFS-UHFFFAOYSA-N 0 0 434.496 4.047 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036041014 523046812 /nfs/dbraw/zinc/04/68/12/523046812.db2.gz MCGIBVPYMKZJPB-DEOSSOPVSA-N 0 0 448.538 4.301 50 0 IIAARN COc1cc2cc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)n(C)c2c(OC)c1OC ZINC000012324877 523055869 /nfs/dbraw/zinc/05/58/69/523055869.db2.gz RGTJXTQKCBTHRA-UHFFFAOYSA-N 0 0 437.471 4.023 50 0 IIAARN COc1cc2cc(C(=O)NCCSc3ccc(Br)cc3)[nH]c2c(OC)c1 ZINC000012904249 523056818 /nfs/dbraw/zinc/05/68/18/523056818.db2.gz YFYISHPZEPVWNL-UHFFFAOYSA-N 0 0 435.343 4.470 50 0 IIAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccccc1F)C[C@@H](C)CC3 ZINC000020856931 523103155 /nfs/dbraw/zinc/10/31/55/523103155.db2.gz BCDSVTPTTUDSQW-LBPRGKRZSA-N 0 0 431.558 4.473 50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000023119148 523104818 /nfs/dbraw/zinc/10/48/18/523104818.db2.gz NPXPGZAOCKBNQO-UHFFFAOYSA-N 0 0 440.475 4.421 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cccc(Cl)c1 ZINC000021112766 523107992 /nfs/dbraw/zinc/10/79/92/523107992.db2.gz PLXXGVIYUYIEBK-UHFFFAOYSA-N 0 0 434.901 4.115 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cc(OC)ccc2Cl)CC(=O)N3)cc1 ZINC000020715744 523122066 /nfs/dbraw/zinc/12/20/66/523122066.db2.gz YRGVYCHIJKQKHG-SFHVURJKSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cc(OC)ccc2Cl)CC(=O)N3)cc1 ZINC000020715748 523123371 /nfs/dbraw/zinc/12/33/71/523123371.db2.gz YRGVYCHIJKQKHG-GOSISDBHSA-N 0 0 426.860 4.392 50 0 IIAARN CCn1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(OC)cc2)C(C)C)c(C)c1C(=O)OC ZINC000036025241 523123306 /nfs/dbraw/zinc/12/33/06/523123306.db2.gz XTTNVJDBIWNVGD-KRWDZBQOSA-N 0 0 428.529 4.042 50 0 IIAARN COc1ccc(-c2nc(S[C@H](CC(=O)NCc3cccnc3)c3ccccc3)n[nH]2)cc1 ZINC000012139668 523180010 /nfs/dbraw/zinc/18/00/10/523180010.db2.gz XCKNFUCPAJYCTD-OAQYLSRUSA-N 0 0 445.548 4.415 50 0 IIAARN COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c(C)c1 ZINC000035460347 523186351 /nfs/dbraw/zinc/18/63/51/523186351.db2.gz CEIFDBVOZCPDTN-UHFFFAOYSA-N 0 0 445.523 4.473 50 0 IIAARN CN(Cc1ccc(Br)cc1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012736623 523196362 /nfs/dbraw/zinc/19/63/62/523196362.db2.gz FLHHSHBGWKYSMS-IBGZPJMESA-N 0 0 445.357 4.016 50 0 IIAARN COc1ccc(-c2ncc(C(=O)NCc3ccco3)c(N3CCc4ccccc4C3)n2)cc1 ZINC000035988099 523237531 /nfs/dbraw/zinc/23/75/31/523237531.db2.gz LDWXCYPEDGTTGQ-UHFFFAOYSA-N 0 0 440.503 4.238 50 0 IIAARN COCCCN(Cc1cccs1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000020990348 523263378 /nfs/dbraw/zinc/26/33/78/523263378.db2.gz ZPMRJABQJKATLJ-UHFFFAOYSA-N 0 0 446.594 4.284 50 0 IIAARN COC(=O)C[C@@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(C)cc1 ZINC000021710053 523274493 /nfs/dbraw/zinc/27/44/93/523274493.db2.gz CKJGIQCFABCJFH-HSZRJFAPSA-N 0 0 436.508 4.142 50 0 IIAARN CN(Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000022090109 523278298 /nfs/dbraw/zinc/27/82/98/523278298.db2.gz PZNIDOWCQNUSGK-UHFFFAOYSA-N 0 0 437.496 4.194 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccccc4)C3)n2)cc1 ZINC000035562388 523297769 /nfs/dbraw/zinc/29/77/69/523297769.db2.gz QILWYQIDQOJTCZ-WIYYLYMNSA-N 0 0 434.540 4.099 50 0 IIAARN CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)cn1 ZINC000020615040 523298966 /nfs/dbraw/zinc/29/89/66/523298966.db2.gz SRPSJZRYOBNQGH-UHFFFAOYSA-N 0 0 429.452 4.273 50 0 IIAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nc3c(c2=O)SCC3)cc1OC ZINC000012140704 523321876 /nfs/dbraw/zinc/32/18/76/523321876.db2.gz FFYGLCUDQJIRMF-UHFFFAOYSA-N 0 0 426.563 4.499 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c2ccccc2S1 ZINC000021727867 523462945 /nfs/dbraw/zinc/46/29/45/523462945.db2.gz HNAKGHHEECNNNM-UONOGXRCSA-N 0 0 446.619 4.150 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012783324 523506339 /nfs/dbraw/zinc/50/63/39/523506339.db2.gz AHSVSHWETAATTH-UHFFFAOYSA-N 0 0 429.851 4.365 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012744758 523574997 /nfs/dbraw/zinc/57/49/97/523574997.db2.gz PUQLZFXURAFNTQ-QFIPXVFZSA-N 0 0 442.943 4.037 50 0 IIAARN COc1ccc(C(=O)COC(=O)C=Cc2cccc3cccnc23)cc1Br ZINC000012925041 523586882 /nfs/dbraw/zinc/58/68/82/523586882.db2.gz VDGGALBHEVHMOJ-CSKARUKUSA-N 0 0 426.266 4.445 50 0 IIAARN COc1ccc(C(=O)COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(OC)c1 ZINC000022302481 523589652 /nfs/dbraw/zinc/58/96/52/523589652.db2.gz BSYLGULKRCJHML-UHFFFAOYSA-N 0 0 432.835 4.030 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000012682934 523650708 /nfs/dbraw/zinc/65/07/08/523650708.db2.gz SCMBIYICYSBHFD-UHFFFAOYSA-N 0 0 435.299 4.120 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCC(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036041905 523671190 /nfs/dbraw/zinc/67/11/90/523671190.db2.gz RLMNKGUOFFBNKZ-SFTDATJTSA-N 0 0 448.485 4.342 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC1CCN(C(C)=O)CC1 ZINC000012302637 523722262 /nfs/dbraw/zinc/72/22/62/523722262.db2.gz NRHTVZJDVNIDAT-HNNXBMFYSA-N 0 0 430.932 4.229 50 0 IIAARN CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CN(C)Cc2ccccc2N2CCCCC2)C1=O ZINC000012544038 523747116 /nfs/dbraw/zinc/74/71/16/523747116.db2.gz OIGSXTBFIPZBHU-SANMLTNESA-N 0 0 434.584 4.232 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000035422691 523751040 /nfs/dbraw/zinc/75/10/40/523751040.db2.gz VDXUEJYFPGPSBC-UHFFFAOYSA-N 0 0 437.540 4.100 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(OC)c(CN3CCn4c(nc5ccccc54)C3)c2)cc1 ZINC000021800239 523752861 /nfs/dbraw/zinc/75/28/61/523752861.db2.gz CSBLONILMPTCMB-UHFFFAOYSA-N 0 0 442.519 4.322 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCN(CCc3ccccc3)C2)cc1 ZINC000020412935 523755521 /nfs/dbraw/zinc/75/55/21/523755521.db2.gz QAWRSUZKPYJGKU-UHFFFAOYSA-N 0 0 426.520 4.356 50 0 IIAARN COc1ccc(C(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1OC ZINC000035461084 523757059 /nfs/dbraw/zinc/75/70/59/523757059.db2.gz WOTMNBOFGOJSSD-UHFFFAOYSA-N 0 0 441.447 4.339 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012790002 523760770 /nfs/dbraw/zinc/76/07/70/523760770.db2.gz JMIHQTOSXAQAED-UHFFFAOYSA-N 0 0 442.562 4.349 50 0 IIAARN CCc1cc(C(=O)OC)c(NC(=O)Cn2nc(C)c3c2nc(C)cc3C(F)(F)F)s1 ZINC000020602197 523778938 /nfs/dbraw/zinc/77/89/38/523778938.db2.gz FBQNVJOEMNJXLL-UHFFFAOYSA-N 0 0 440.447 4.116 50 0 IIAARN CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 ZINC000012821923 523797729 /nfs/dbraw/zinc/79/77/29/523797729.db2.gz ZHQXXAVUNCRRSA-FQEVSTJZSA-N 0 0 430.570 4.392 50 0 IIAARN COC(=O)[C@@](NC(=O)Nc1cccc(C(F)(F)F)c1)(Oc1ccccc1)C(F)(F)F ZINC000012417283 523827434 /nfs/dbraw/zinc/82/74/34/523827434.db2.gz TYXICAJXIBJQBV-MRXNPFEDSA-N 0 0 436.308 4.338 50 0 IIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)NCc2ccc(SC)cc2)c3=O)cc1 ZINC000033128627 523864270 /nfs/dbraw/zinc/86/42/70/523864270.db2.gz CCDCCSBGDLYYDB-UHFFFAOYSA-N 0 0 448.548 4.042 50 0 IIAARN COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCCC2)cc1 ZINC000021691599 523867078 /nfs/dbraw/zinc/86/70/78/523867078.db2.gz VEFRWGKTQOFNER-UHFFFAOYSA-N 0 0 436.430 4.161 50 0 IIAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 ZINC000012856883 523888547 /nfs/dbraw/zinc/88/85/47/523888547.db2.gz FEYFMWFFYRQPRA-NSHDSACASA-N 0 0 448.591 4.148 50 0 IIAARN COCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899127 523929003 /nfs/dbraw/zinc/92/90/03/523929003.db2.gz KQSMEWTWDZTZQI-LLVKDONJSA-N 0 0 435.368 4.027 50 0 IIAARN COc1ccc(CCNC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000012500259 523958846 /nfs/dbraw/zinc/95/88/46/523958846.db2.gz HCJWOGDOBOYRPZ-UHFFFAOYSA-N 0 0 440.323 4.063 50 0 IIAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 ZINC000012062213 523965303 /nfs/dbraw/zinc/96/53/03/523965303.db2.gz PJGLKVBCEXSJGP-NRFANRHFSA-N 0 0 444.579 4.378 50 0 IIAARN CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012769653 523970460 /nfs/dbraw/zinc/97/04/60/523970460.db2.gz GLRRARAMLYZKCM-ZDUSSCGKSA-N 0 0 445.368 4.112 50 0 IIAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 ZINC000020579519 523977662 /nfs/dbraw/zinc/97/76/62/523977662.db2.gz SARCELMEAVLULC-UHFFFAOYSA-N 0 0 425.488 4.137 50 0 IIAARN COc1ccc(CN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C2CC2)cc1 ZINC000040131356 523989572 /nfs/dbraw/zinc/98/95/72/523989572.db2.gz JCYWPMJTDBHSDF-UHFFFAOYSA-N 0 0 425.510 4.039 50 0 IIAARN COc1ccc(CN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H](C)Cc2cccs2)cc1 ZINC000012598836 523989582 /nfs/dbraw/zinc/98/95/82/523989582.db2.gz JOYGTUYQCTYXHR-GOSISDBHSA-N 0 0 447.560 4.127 50 0 IIAARN COc1ccc(CN(C)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1OC ZINC000012547957 523995375 /nfs/dbraw/zinc/99/53/75/523995375.db2.gz JDXJSJKCKPSLCX-UHFFFAOYSA-N 0 0 445.519 4.291 50 0 IIAARN COc1ccc(CN(CC(C)C)C(=O)C2CCC2)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000035770206 524012532 /nfs/dbraw/zinc/01/25/32/524012532.db2.gz DXMMOQMUWGNKML-UHFFFAOYSA-N 0 0 449.544 4.387 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2cccc(OC)c2)c1C ZINC000036002081 524022492 /nfs/dbraw/zinc/02/24/92/524022492.db2.gz MSEFZAICBIBBKR-UHFFFAOYSA-N 0 0 440.540 4.332 50 0 IIAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3OC)C2=O)cc1F ZINC000021658279 524043727 /nfs/dbraw/zinc/04/37/27/524043727.db2.gz UNSBVMZILXLSFR-UHFFFAOYSA-N 0 0 442.468 4.178 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)c(OC)c1 ZINC000015769837 524066670 /nfs/dbraw/zinc/06/66/70/524066670.db2.gz JCSGKZABZYSBPO-UHFFFAOYSA-N 0 0 427.551 4.334 50 0 IIAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000012442934 524075313 /nfs/dbraw/zinc/07/53/13/524075313.db2.gz ZGDFBPNSEXOIHK-CQSZACIVSA-N 0 0 427.551 4.054 50 0 IIAARN Cc1ccc2oc(CN3CCN(C(=O)Nc4ccc(Br)cc4)CC3)nc2c1 ZINC000035534495 524094231 /nfs/dbraw/zinc/09/42/31/524094231.db2.gz MHGKQQXJOVHBIZ-UHFFFAOYSA-N 0 0 429.318 4.248 50 0 IIAARN C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000012876652 524097852 /nfs/dbraw/zinc/09/78/52/524097852.db2.gz ABGUHZHOHZWMPA-LBPRGKRZSA-N 0 0 441.384 4.050 50 0 IIAARN COc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1 ZINC000032943551 524100981 /nfs/dbraw/zinc/10/09/81/524100981.db2.gz HMGBUNJEVDBQPB-UHFFFAOYSA-N 0 0 425.554 4.276 50 0 IIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)C1 ZINC000021786054 524104416 /nfs/dbraw/zinc/10/44/16/524104416.db2.gz LFWYHRBGYJFCJE-AWEZNQCLSA-N 0 0 431.539 4.076 50 0 IIAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)N4CCCCC4)CC3)n2)c1 ZINC000035461696 524129643 /nfs/dbraw/zinc/12/96/43/524129643.db2.gz AJYPBSZRZWFQEX-UHFFFAOYSA-N 0 0 431.540 4.336 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1 ZINC000021860894 524141395 /nfs/dbraw/zinc/14/13/95/524141395.db2.gz BVODNMFWEZUONI-ZTEVPRNISA-N 0 0 430.552 4.146 50 0 IIAARN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)NCCc2ccccn2)c1 ZINC000035730373 524146330 /nfs/dbraw/zinc/14/63/30/524146330.db2.gz OLGVRPASFAXJJG-UHFFFAOYSA-N 0 0 447.583 4.341 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1 ZINC000021860901 524170403 /nfs/dbraw/zinc/17/04/03/524170403.db2.gz BVODNMFWEZUONI-YMJPAYASSA-N 0 0 430.552 4.146 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045742 524181740 /nfs/dbraw/zinc/18/17/40/524181740.db2.gz CDSVYKVSHISWNH-RPBOFIJWSA-N 0 0 428.532 4.176 50 0 IIAARN COc1ccc(Cl)cc1-c1cc(C(=O)N(C)C2CCCCC2)cc(-n2cnnn2)c1 ZINC000014974377 524188328 /nfs/dbraw/zinc/18/83/28/524188328.db2.gz AJMGSJIOXPYHPY-UHFFFAOYSA-N 0 0 425.920 4.396 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c2)c1 ZINC000012540720 524196196 /nfs/dbraw/zinc/19/61/96/524196196.db2.gz URAWJIMAAHLWGH-KRWDZBQOSA-N 0 0 448.548 4.472 50 0 IIAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(Cc4cccc5ccccc54)CC3)c[nH]c21 ZINC000020723202 524200672 /nfs/dbraw/zinc/20/06/72/524200672.db2.gz PKKYNODIGWCLRK-RUZDIDTESA-N 0 0 429.520 4.273 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)s1 ZINC000021522998 524221250 /nfs/dbraw/zinc/22/12/50/524221250.db2.gz NXIJTQPSRMJDCS-LJQANCHMSA-N 0 0 448.596 4.002 50 0 IIAARN COc1cccc2sc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)nc21 ZINC000040131062 524264682 /nfs/dbraw/zinc/26/46/82/524264682.db2.gz YEJXSJDOHRBWBR-UHFFFAOYSA-N 0 0 428.495 4.096 50 0 IIAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908215 524267828 /nfs/dbraw/zinc/26/78/28/524267828.db2.gz YEMNXJKMIBWARF-NRFANRHFSA-N 0 0 433.577 4.219 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)Cc2cc3c(cc2Br)OCCO3)c(C)c1 ZINC000012797254 524283467 /nfs/dbraw/zinc/28/34/67/524283467.db2.gz UDDLOELJCITDFN-UHFFFAOYSA-N 0 0 433.346 4.216 50 0 IIAARN COc1ccccc1C(=O)N(Cc1cccnc1)Cc1ccc(O[C@@H]2CCOC2)c(OC)c1 ZINC000012165236 524338862 /nfs/dbraw/zinc/33/88/62/524338862.db2.gz VBVNHETXESZNEP-OAQYLSRUSA-N 0 0 448.519 4.109 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(F)cc2)CCS3)c1 ZINC000012140540 524357137 /nfs/dbraw/zinc/35/71/37/524357137.db2.gz WZZUABCCFFBFGZ-UHFFFAOYSA-N 0 0 441.553 4.367 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)n2)c(OC)c1 ZINC000012543950 524401667 /nfs/dbraw/zinc/40/16/67/524401667.db2.gz WCZBYQNNQWYXEF-HSZRJFAPSA-N 0 0 427.464 4.056 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)c1 ZINC000033284372 524421915 /nfs/dbraw/zinc/42/19/15/524421915.db2.gz NALDYGYRADARNW-UHFFFAOYSA-N 0 0 449.511 4.468 50 0 IIAARN C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc2S1 ZINC000012732888 524441290 /nfs/dbraw/zinc/44/12/90/524441290.db2.gz HFRNGABMDDONAZ-MRXNPFEDSA-N 0 0 448.585 4.144 50 0 IIAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)CC2=O)cc1 ZINC000012905814 524445460 /nfs/dbraw/zinc/44/54/60/524445460.db2.gz PHGWOVGBENFFOA-INIZCTEOSA-N 0 0 435.505 4.013 50 0 IIAARN COc1ccc(NC(=O)/C(=C\c2ccccc2OC)NC(=O)c2ccccc2OC)cc1 ZINC000016675840 524449846 /nfs/dbraw/zinc/44/98/46/524449846.db2.gz IUGPHIGAPUAIBT-LTGZKZEYSA-N 0 0 432.476 4.122 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)C(C)C)n2CC(C)C)c1 ZINC000036039591 524455214 /nfs/dbraw/zinc/45/52/14/524455214.db2.gz ZLHPGBNILJDCSD-UHFFFAOYSA-N 0 0 447.645 4.462 50 0 IIAARN COc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000035528382 524459228 /nfs/dbraw/zinc/45/92/28/524459228.db2.gz SVISGZXWMAPQLR-UHFFFAOYSA-N 0 0 444.457 4.190 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2ccc(F)cc2)cc1 ZINC000020583558 524469907 /nfs/dbraw/zinc/46/99/07/524469907.db2.gz XMALSVUPNBFRRW-GOSISDBHSA-N 0 0 425.489 4.075 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c(OC)c1 ZINC000035398520 524473065 /nfs/dbraw/zinc/47/30/65/524473065.db2.gz KAXPNFFGLADVPF-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3Cc4c(c(-c5ccncc5)ccc4F)O3)cc2)n1 ZINC000011974716 524482494 /nfs/dbraw/zinc/48/24/94/524482494.db2.gz OBUNHAGNESQHHG-NRFANRHFSA-N 0 0 442.494 4.424 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000012541463 524483814 /nfs/dbraw/zinc/48/38/14/524483814.db2.gz HDEWHYDZQQOARZ-DKERFCRFSA-N 0 0 435.568 4.367 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000012307353 524484922 /nfs/dbraw/zinc/48/49/22/524484922.db2.gz NIMGQFRZWCOACX-LJQANCHMSA-N 0 0 448.567 4.470 50 0 IIAARN Cc1cc(C)n(-c2cccc(C(=O)N3CCC(n4nccc4NC(=O)CC(C)C)CC3)c2)n1 ZINC000011958278 524491779 /nfs/dbraw/zinc/49/17/79/524491779.db2.gz OWNXPFFERSMOMT-UHFFFAOYSA-N 0 0 448.571 4.148 50 0 IIAARN Cc1cccc(Cn2c(CN3CCOCC3)nc3scc(-c4cccs4)c3c2=O)c1 ZINC000012615245 524492774 /nfs/dbraw/zinc/49/27/74/524492774.db2.gz FAIUDQATCREAFS-UHFFFAOYSA-N 0 0 437.590 4.375 50 0 IIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)NC4CCCCC4)nc-3c3cc(F)ccc32)c1 ZINC000020937118 524495868 /nfs/dbraw/zinc/49/58/68/524495868.db2.gz FZRLUDVEUPRNSD-UHFFFAOYSA-N 0 0 446.526 4.248 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)NCCc2cccs2)cc1Cl ZINC000032988827 524504893 /nfs/dbraw/zinc/50/48/93/524504893.db2.gz FDWLZAIYOSHOAI-UHFFFAOYSA-N 0 0 444.940 4.400 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000012415844 524511345 /nfs/dbraw/zinc/51/13/45/524511345.db2.gz QTIMMJUHKNZQFZ-UHFFFAOYSA-N 0 0 438.549 4.060 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1 ZINC000011902152 524552539 /nfs/dbraw/zinc/55/25/39/524552539.db2.gz ALYDHVGRTWRBGE-UHFFFAOYSA-N 0 0 436.512 4.173 50 0 IIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012344813 524556560 /nfs/dbraw/zinc/55/65/60/524556560.db2.gz SBZDOHLWSXOYBJ-JOCHJYFZSA-N 0 0 437.496 4.160 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000021156767 524578620 /nfs/dbraw/zinc/57/86/20/524578620.db2.gz AYGBEGFBFSFMBU-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000021762835 524600039 /nfs/dbraw/zinc/60/00/39/524600039.db2.gz ONSXTWUWFHOZJN-UHFFFAOYSA-N 0 0 435.446 4.116 50 0 IIAARN COc1ccccc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035447753 524610570 /nfs/dbraw/zinc/61/05/70/524610570.db2.gz FAYGJDJSCCOXFY-UHFFFAOYSA-N 0 0 433.487 4.379 50 0 IIAARN COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012344797 524613402 /nfs/dbraw/zinc/61/34/02/524613402.db2.gz CFCDBIKSNORBDW-QFIPXVFZSA-N 0 0 437.496 4.160 50 0 IIAARN C[C@H]1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)C[C@H](C)O1 ZINC000022305318 524646008 /nfs/dbraw/zinc/64/60/08/524646008.db2.gz MEJVFRKEYLWQGH-GJZGRUSLSA-N 0 0 444.532 4.118 50 0 IIAARN C[C@H]1CN(Cn2nc(-c3cccnc3)n(-c3ccc(SC(F)F)cc3)c2=S)CCO1 ZINC000012554220 524653031 /nfs/dbraw/zinc/65/30/31/524653031.db2.gz ICKXEMZSEGKRKW-AWEZNQCLSA-N 0 0 449.552 4.458 50 0 IIAARN COc1ccc(NC(=S)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)cc1Cl ZINC000012473881 524664380 /nfs/dbraw/zinc/66/43/80/524664380.db2.gz CEULBSFIMBXUOT-UHFFFAOYSA-N 0 0 442.025 4.173 50 0 IIAARN Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1C ZINC000012893743 524665384 /nfs/dbraw/zinc/66/53/84/524665384.db2.gz NBMXZJWDCLXYGL-UHFFFAOYSA-N 0 0 426.563 4.364 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012216181 524688658 /nfs/dbraw/zinc/68/86/58/524688658.db2.gz XZOJVCPPDVAGHZ-UHFFFAOYSA-N 0 0 442.562 4.064 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000035684702 524688880 /nfs/dbraw/zinc/68/88/80/524688880.db2.gz HZMLDTATBXNKBZ-NVNXTCNLSA-N 0 0 448.544 4.094 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nnc(C4CC4)s3)c2)c1 ZINC000012825555 524692722 /nfs/dbraw/zinc/69/27/22/524692722.db2.gz ZJVDVPZZPVQPMX-UHFFFAOYSA-N 0 0 448.957 4.430 50 0 IIAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)s2)c1 ZINC000021475298 524702570 /nfs/dbraw/zinc/70/25/70/524702570.db2.gz CEGMDUTUUZKXCN-GFCCVEGCSA-N 0 0 426.523 4.285 50 0 IIAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)cc21 ZINC000009406944 534802862 /nfs/dbraw/zinc/80/28/62/534802862.db2.gz NWRKOECJDOZORZ-UHFFFAOYSA-N 0 0 441.372 4.017 50 0 IIAARN COc1ccc(N[C@H]2CCCN(C(=O)CCc3nc4ccccc4s3)C2)cc1OC ZINC000012448770 524711888 /nfs/dbraw/zinc/71/18/88/524711888.db2.gz YCXQQSUDLOMXEC-KRWDZBQOSA-N 0 0 425.554 4.349 50 0 IIAARN COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012631391 524718863 /nfs/dbraw/zinc/71/88/63/524718863.db2.gz WZMKFUPFTDXRCN-MRXNPFEDSA-N 0 0 442.512 4.055 50 0 IIAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)NC(C)C ZINC000035948954 524750101 /nfs/dbraw/zinc/75/01/01/524750101.db2.gz KRSVSEKESDTCIF-FQEVSTJZSA-N 0 0 442.947 4.076 50 0 IIAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051607 524817795 /nfs/dbraw/zinc/81/77/95/524817795.db2.gz QAHBVVGMOSMDEL-DHIUTWEWSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccc(OC)c(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021856952 524843699 /nfs/dbraw/zinc/84/36/99/524843699.db2.gz AGTRRSJEKPUQOB-AREMUKBSSA-N 0 0 447.535 4.136 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000015882814 524868226 /nfs/dbraw/zinc/86/82/26/524868226.db2.gz NKSAHXSXQFBFBW-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN Cc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1C ZINC000020867416 524900514 /nfs/dbraw/zinc/90/05/14/524900514.db2.gz FJDHOOTZBKQIJE-MOPGFXCFSA-N 0 0 438.977 4.371 50 0 IIAARN C[C@H](NC(=O)CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)c1ccccc1 ZINC000032961401 524922013 /nfs/dbraw/zinc/92/20/13/524922013.db2.gz NYPYJPJLJXZCBU-KRWDZBQOSA-N 0 0 425.554 4.417 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4oc3=O)CC2)cc1C ZINC000001052556 524962195 /nfs/dbraw/zinc/96/21/95/524962195.db2.gz RTVTYMFHJNJXBE-UHFFFAOYSA-N 0 0 441.325 4.135 50 0 IIAARN COc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000022228998 524963961 /nfs/dbraw/zinc/96/39/61/524963961.db2.gz AMKOGUXCFNRJDG-BOPFTXTBSA-N 0 0 449.326 4.054 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1ccc2c(c1)CCCC2 ZINC000012750120 524979316 /nfs/dbraw/zinc/97/93/16/524979316.db2.gz AIIOQVFDJFVDKP-AWEZNQCLSA-N 0 0 441.988 4.161 50 0 IIAARN C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(-n2ccnc2)cc1 ZINC000012604359 524982342 /nfs/dbraw/zinc/98/23/42/524982342.db2.gz ODQPSGCQCIOVQB-DJJJIMSYSA-N 0 0 426.929 4.206 50 0 IIAARN Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NCc2ccccc2F)CC1 ZINC000021654508 525013944 /nfs/dbraw/zinc/01/39/44/525013944.db2.gz JZQSCJUFSKATQG-UHFFFAOYSA-N 0 0 431.511 4.365 50 0 IIAARN Cc1ccccc1-c1nnc(SCc2noc(CCC(=O)Nc3ccc(F)cc3)n2)o1 ZINC000021721521 525017187 /nfs/dbraw/zinc/01/71/87/525017187.db2.gz HUDIUIHMYAUUBQ-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC[C@H](C)C2)cc1 ZINC000022573665 525095080 /nfs/dbraw/zinc/09/50/80/525095080.db2.gz HIWLFGJIGPDWNK-INIZCTEOSA-N 0 0 426.538 4.321 50 0 IIAARN C[C@@H](NC(=O)CSc1nnnn1-c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000012766627 525127163 /nfs/dbraw/zinc/12/71/63/525127163.db2.gz SZIGKQJYDXCYTC-CQSZACIVSA-N 0 0 427.961 4.164 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)COc2c3ccccc3oc2C(=O)N1Cc1cccc(F)c1 ZINC000021915841 525197950 /nfs/dbraw/zinc/19/79/50/525197950.db2.gz FCFUZHFVKBJAMI-RUZDIDTESA-N 0 0 436.483 4.424 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1CCCc1ccccc1 ZINC000021860446 525199015 /nfs/dbraw/zinc/19/90/15/525199015.db2.gz VFSODYPMMPZNRS-HHHXNRCGSA-N 0 0 444.579 4.333 50 0 IIAARN CS(=O)(=O)Nc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)ccc1F ZINC000012643578 525214418 /nfs/dbraw/zinc/21/44/18/525214418.db2.gz ARHMFIUYJGIIML-UHFFFAOYSA-N 0 0 437.496 4.458 50 0 IIAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4cccs4)nn32)cc1 ZINC000012571203 525216429 /nfs/dbraw/zinc/21/64/29/525216429.db2.gz KQQQPDNCYZJMJF-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc3ccccn32)cc1 ZINC000012549504 525239192 /nfs/dbraw/zinc/23/91/92/525239192.db2.gz SZAHVYKREZHVDE-NRFANRHFSA-N 0 0 443.532 4.208 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000009664067 525240987 /nfs/dbraw/zinc/24/09/87/525240987.db2.gz HGTLJEUHFHZOIL-QHCPKHFHSA-N 0 0 442.581 4.237 50 0 IIAARN Cc1ccccc1NC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000035399816 525244478 /nfs/dbraw/zinc/24/44/78/525244478.db2.gz ZLWMCVUHQPTUKK-UHFFFAOYSA-N 0 0 440.478 4.486 50 0 IIAARN COc1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]3c4ccccc4CCN32)cc1 ZINC000036031961 525265446 /nfs/dbraw/zinc/26/54/46/525265446.db2.gz UJYGNNWWRGHYOS-RPBOFIJWSA-N 0 0 434.561 4.306 50 0 IIAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1 ZINC000263585721 525282271 /nfs/dbraw/zinc/28/22/71/525282271.db2.gz LPGFKQBSQDKVBN-HSZRJFAPSA-N 0 0 445.519 4.440 50 0 biogenic IIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1C ZINC000012604745 525298658 /nfs/dbraw/zinc/29/86/58/525298658.db2.gz XEDOMDAGMWCIPR-HZPDHXFCSA-N 0 0 436.961 4.007 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 ZINC000012862385 525302041 /nfs/dbraw/zinc/30/20/41/525302041.db2.gz ISKBARFXXPNWQS-UHFFFAOYSA-N 0 0 430.913 4.467 50 0 IIAARN CSC1=NC2(CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)N=C1c1ccccc1 ZINC000015731451 525345523 /nfs/dbraw/zinc/34/55/23/525345523.db2.gz WTHHNNLDOWKAKX-UHFFFAOYSA-N 0 0 427.595 4.049 50 0 IIAARN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000012799667 525362282 /nfs/dbraw/zinc/36/22/82/525362282.db2.gz KGFXFXWMPRLZGC-ZWKOTPCHSA-N 0 0 425.554 4.162 50 0 IIAARN COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000020680511 525382657 /nfs/dbraw/zinc/38/26/57/525382657.db2.gz DBNWSZCHSJDIPT-IBVKSMDESA-N 0 0 428.532 4.411 50 0 IIAARN COc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2OC)cc1 ZINC000020680187 525382672 /nfs/dbraw/zinc/38/26/72/525382672.db2.gz HMNSUWVGCCTYPV-VWLOTQADSA-N 0 0 436.552 4.339 50 0 IIAARN C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 ZINC000017094543 525386645 /nfs/dbraw/zinc/38/66/45/525386645.db2.gz IUUUJNUPJMUMNO-QGZVFWFLSA-N 0 0 425.579 4.213 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4ncsc4c3)cc2)C1 ZINC000012849088 525387310 /nfs/dbraw/zinc/38/73/10/525387310.db2.gz XFMXOTQABFBTBQ-GASCZTMLSA-N 0 0 429.567 4.215 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1 ZINC000035461094 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C[C@H](OC(=O)CCCNC(=O)c1ccsc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022541165 525880682 /nfs/dbraw/zinc/88/06/82/525880682.db2.gz ZJHWLENGCSMKHX-NSHDSACASA-N 0 0 429.325 4.135 50 0 IIAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)c1ccc(F)c(F)c1 ZINC000012910603 525881079 /nfs/dbraw/zinc/88/10/79/525881079.db2.gz IEESCAKGKSFNHX-ZDUSSCGKSA-N 0 0 435.854 4.285 50 0 IIAARN Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C(C)C)cc4)c3=O)n2)cc1 ZINC000033293105 525881661 /nfs/dbraw/zinc/88/16/61/525881661.db2.gz YVGILEUJMSMWKI-UHFFFAOYSA-N 0 0 426.480 4.112 50 0 IIAARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)C(=O)Nc1ncccn1 ZINC000012569253 525888461 /nfs/dbraw/zinc/88/84/61/525888461.db2.gz QDOWPUYCOXLNTR-JKSUJKDBSA-N 0 0 432.524 4.360 50 0 IIAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000012622847 525890989 /nfs/dbraw/zinc/89/09/89/525890989.db2.gz PFURYHADANUXOT-SFHVURJKSA-N 0 0 425.229 4.018 50 0 IIAARN Cc1c([C@@H](C)NC(=O)c2ccc(-n3ccnc3)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012751775 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428.517 4.177 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000021811292 525930627 /nfs/dbraw/zinc/93/06/27/525930627.db2.gz NCLIRRQHNCNRRI-ZZTRNUCDSA-N 0 0 449.551 4.353 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000021893743 525931787 /nfs/dbraw/zinc/93/17/87/525931787.db2.gz CKQXBWPNULBDKN-AWEZNQCLSA-N 0 0 448.972 4.159 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1cccc(Cl)c1)nc2C ZINC000020563649 525934859 /nfs/dbraw/zinc/93/48/59/525934859.db2.gz CNGOOXKJJRYYLC-QGZVFWFLSA-N 0 0 449.942 4.038 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(C)cc1C)nc2C ZINC000020563599 525936650 /nfs/dbraw/zinc/93/66/50/525936650.db2.gz HIXJLTIXRUGADR-UHFFFAOYSA-N 0 0 429.524 4.235 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012540744 525940997 /nfs/dbraw/zinc/94/09/97/525940997.db2.gz HSEXDVXNDCUTPL-UHFFFAOYSA-N 0 0 437.315 4.006 50 0 IIAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(COc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000035537718 525949581 /nfs/dbraw/zinc/94/95/81/525949581.db2.gz HZFJJIROMKCUNI-HXUWFJFHSA-N 0 0 436.552 4.008 50 0 IIAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)ncn3CCC(=O)N2CCCC2)no1 ZINC000035460116 525956786 /nfs/dbraw/zinc/95/67/86/525956786.db2.gz RVGJJTJMARVZDW-KRWDZBQOSA-N 0 0 431.496 4.239 50 0 IIAARN COc1cccc(CN2C[C@H](C(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC2=O)c1 ZINC000012707945 525958374 /nfs/dbraw/zinc/95/83/74/525958374.db2.gz CJLYBOKRSYVSGI-JOCHJYFZSA-N 0 0 430.548 4.021 50 0 IIAARN Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCOCC2)cc1 ZINC000012620750 525959609 /nfs/dbraw/zinc/95/96/09/525959609.db2.gz VMMSYRUQHNDHGK-CAPFRKAQSA-N 0 0 442.515 4.046 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417322 525996116 /nfs/dbraw/zinc/99/61/16/525996116.db2.gz JBCXVNRHYAOUJS-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c1 ZINC000012913027 525999217 /nfs/dbraw/zinc/99/92/17/525999217.db2.gz JCWVYHZQBONILI-IBGZPJMESA-N 0 0 432.520 4.026 50 0 IIAARN C[C@H](Sc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012631682 526001207 /nfs/dbraw/zinc/00/12/07/526001207.db2.gz ACJBCNNOYAZRGL-LBPRGKRZSA-N 0 0 446.374 4.420 50 0 IIAARN C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022025139 526007938 /nfs/dbraw/zinc/00/79/38/526007938.db2.gz KDZUDGMBZCNXNA-INIZCTEOSA-N 0 0 442.972 4.215 50 0 IIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008862378 526008957 /nfs/dbraw/zinc/00/89/57/526008957.db2.gz WTEOJGNHJTYTHK-GOSISDBHSA-N 0 0 441.560 4.458 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)s1 ZINC000022064698 526039379 /nfs/dbraw/zinc/03/93/79/526039379.db2.gz ICPSMHJJILGITK-UHFFFAOYSA-N 0 0 449.579 4.153 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)s1 ZINC000012775477 526040756 /nfs/dbraw/zinc/04/07/56/526040756.db2.gz PJUKJRDHWAPBPV-UHFFFAOYSA-N 0 0 435.571 4.408 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Cl)cc1Br ZINC000015095767 526041137 /nfs/dbraw/zinc/04/11/37/526041137.db2.gz RYMTYJYNSSEIHD-CYBMUJFWSA-N 0 0 449.736 4.282 50 0 IIAARN C[C@H](C(=O)NCCSCc1ccc(Br)s1)n1c(=O)oc2ccccc21 ZINC000030201726 526053478 /nfs/dbraw/zinc/05/34/78/526053478.db2.gz KQODMRDEXRSQHS-LLVKDONJSA-N 0 0 441.372 4.029 50 0 IIAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)C(C)C)cc1 ZINC000035829837 526068908 /nfs/dbraw/zinc/06/89/08/526068908.db2.gz WZNDPEQOSZNHGG-RUZDIDTESA-N 0 0 433.527 4.418 50 0 IIAARN C[C@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)n1c(=O)oc2ccccc21 ZINC000014308460 526091690 /nfs/dbraw/zinc/09/16/90/526091690.db2.gz MPVWZSJPFGOZHT-GOSISDBHSA-N 0 0 438.487 4.325 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cccc(C)c3C)c2n1 ZINC000020579510 526116471 /nfs/dbraw/zinc/11/64/71/526116471.db2.gz YNZVLPWOYCGQDJ-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN Cc1cc(=O)c(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1cccc(C(F)(F)F)c1 ZINC000008862213 526128489 /nfs/dbraw/zinc/12/84/89/526128489.db2.gz XOIJPXVQOFGYTH-UHFFFAOYSA-N 0 0 440.425 4.014 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022804559 526162624 /nfs/dbraw/zinc/16/26/24/526162624.db2.gz KNLRZBZTIGEIJV-JOCHJYFZSA-N 0 0 429.564 4.377 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000012546095 526170361 /nfs/dbraw/zinc/17/03/61/526170361.db2.gz AFUCFVBBQBGCJX-UHFFFAOYSA-N 0 0 444.251 4.100 50 0 IIAARN COc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000021099971 526195661 /nfs/dbraw/zinc/19/56/61/526195661.db2.gz KINZHRFIPDQNPN-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885202 526199239 /nfs/dbraw/zinc/19/92/39/526199239.db2.gz RFKIIPBCJABQMU-KRWDZBQOSA-N 0 0 432.480 4.004 50 0 IIAARN COc1cccc(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc2F)c1 ZINC000020677318 526201445 /nfs/dbraw/zinc/20/14/45/526201445.db2.gz HDJKMLMYVWVPMO-LRAJWGHMSA-N 0 0 434.533 4.190 50 0 IIAARN Cc1cc(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)n1C1CC1 ZINC000021841231 526210478 /nfs/dbraw/zinc/21/04/78/526210478.db2.gz JOCUHQPUZAUQQV-UHFFFAOYSA-N 0 0 449.473 4.496 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)n1CCC1=CCCCC1 ZINC000021369755 526212755 /nfs/dbraw/zinc/21/27/55/526212755.db2.gz WEJBYFOQAZONFC-UHFFFAOYSA-N 0 0 435.528 4.090 50 0 IIAARN COc1cccc(OC)c1-c1cnnc(N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000012195715 526214824 /nfs/dbraw/zinc/21/48/24/526214824.db2.gz LTNMWUWGADBMBT-KRWDZBQOSA-N 0 0 436.903 4.427 50 0 IIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)c(F)c1 ZINC000035535098 526215443 /nfs/dbraw/zinc/21/54/43/526215443.db2.gz VVKPETWHIRBDRS-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1cccc(I)c1 ZINC000012799602 526218324 /nfs/dbraw/zinc/21/83/24/526218324.db2.gz LBPAGWLXBLQRBB-JTQLQIEISA-N 0 0 439.224 4.138 50 0 IIAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(F)cc3)no2)c1 ZINC000036014859 526255832 /nfs/dbraw/zinc/25/58/32/526255832.db2.gz XKOXKCMKYROOLZ-JOCHJYFZSA-N 0 0 435.499 4.409 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)c1 ZINC000017992533 526258886 /nfs/dbraw/zinc/25/88/86/526258886.db2.gz LEDUKSWEUFAUQY-MONBJTKQSA-N 0 0 431.488 4.045 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C(=O)NC3CC3)c3ccc(F)cc3)cc12 ZINC000012478340 526272534 /nfs/dbraw/zinc/27/25/34/526272534.db2.gz SSTPOCGZGSQFFT-IBGZPJMESA-N 0 0 429.517 4.378 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012913969 526290093 /nfs/dbraw/zinc/29/00/93/526290093.db2.gz MIUDNXDZUTYPRV-UHFFFAOYSA-N 0 0 444.579 4.413 50 0 IIAARN Cc1csc(-c2csc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)n1 ZINC000033297610 526304739 /nfs/dbraw/zinc/30/47/39/526304739.db2.gz PDEXRKWCDTVZCY-UHFFFAOYSA-N 0 0 433.624 4.308 50 0 IIAARN Oc1cccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000035511600 526355844 /nfs/dbraw/zinc/35/58/44/526355844.db2.gz VOMYIQRCYYKVJQ-UHFFFAOYSA-N 0 0 425.242 4.337 50 0 IIAARN O=C(NCCOc1ccccc1)Nc1cccc(NC(=O)NCCOc2ccccc2)c1 ZINC000012376790 526363089 /nfs/dbraw/zinc/36/30/89/526363089.db2.gz RBXIWLGBPYXLEF-UHFFFAOYSA-N 0 0 434.496 4.088 50 0 IIAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000035528847 526364683 /nfs/dbraw/zinc/36/46/83/526364683.db2.gz QRVMSCXANVBOBJ-UHFFFAOYSA-N 0 0 429.904 4.019 50 0 IIAARN Cc1nnc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n1-c1ccccc1C ZINC000012511398 526379361 /nfs/dbraw/zinc/37/93/61/526379361.db2.gz SMNDANWNWLAURW-HXUWFJFHSA-N 0 0 428.558 4.390 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1nc(-c2cccnc2)no1 ZINC000012390717 526393579 /nfs/dbraw/zinc/39/35/79/526393579.db2.gz OYNPSOSPCMIFTR-UHFFFAOYSA-N 0 0 439.475 4.164 50 0 IIAARN Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n1 ZINC000018975526 526397703 /nfs/dbraw/zinc/39/77/03/526397703.db2.gz KRLSZGHYMNFMAT-UHFFFAOYSA-N 0 0 447.607 4.003 50 0 IIAARN O=C(CCCCCCCCCC[C@@H]1COCCO1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000012655256 526424409 /nfs/dbraw/zinc/42/44/09/526424409.db2.gz YGTSSYGFAYSWDI-YTFSRNRJSA-N 0 0 444.616 4.110 50 0 biogenic IIAARN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000023573796 526434737 /nfs/dbraw/zinc/43/47/37/526434737.db2.gz WZZMHKWSLMVKLP-NDENLUEZSA-N 0 0 448.458 4.036 50 0 IIAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012627692 526435109 /nfs/dbraw/zinc/43/51/09/526435109.db2.gz JXTSJALKGZPTJE-FBCSTPJJSA-N 0 0 434.584 4.339 50 0 IIAARN Cc1noc(-c2ccc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCCCC3)cc2)n1 ZINC000024496544 526450250 /nfs/dbraw/zinc/45/02/50/526450250.db2.gz JFJZTVUSCWKJKL-UHFFFAOYSA-N 0 0 428.533 4.393 50 0 IIAARN O=C(NCCn1c2ncccc2nc1C(F)(F)F)Nc1ccccc1Br ZINC000035478870 526467365 /nfs/dbraw/zinc/46/73/65/526467365.db2.gz RPOINQFWZOAVAF-UHFFFAOYSA-N 0 0 428.212 4.034 50 0 IIAARN O=C(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccc(Br)cc1 ZINC000035478800 526468150 /nfs/dbraw/zinc/46/81/50/526468150.db2.gz OVQLTGMZHDFDRT-UHFFFAOYSA-N 0 0 449.352 4.409 50 0 IIAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccccc2)s1 ZINC000021247723 526469985 /nfs/dbraw/zinc/46/99/85/526469985.db2.gz AZZAACIGPJMHCQ-UHFFFAOYSA-N 0 0 426.523 4.157 50 0 IIAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000012342377 526494873 /nfs/dbraw/zinc/49/48/73/526494873.db2.gz FFJFHAQERBODEW-FQEVSTJZSA-N 0 0 439.968 4.256 50 0 IIAARN O=C([C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020942650 526539913 /nfs/dbraw/zinc/53/99/13/526539913.db2.gz BUDVBJDHQPSGKD-NRFANRHFSA-N 0 0 435.597 4.027 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1ccc(OC(F)(F)F)cc1 ZINC000012192185 526563141 /nfs/dbraw/zinc/56/31/41/526563141.db2.gz RLRRGWYTLSLWNZ-NRFANRHFSA-N 0 0 438.421 4.012 50 0 IIAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022908141 526582401 /nfs/dbraw/zinc/58/24/01/526582401.db2.gz KYMNPOROZKTHPY-HXUWFJFHSA-N 0 0 439.968 4.256 50 0 IIAARN Cc1nc(-c2cccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)no1 ZINC000021353978 526587683 /nfs/dbraw/zinc/58/76/83/526587683.db2.gz YKEUYDUZIQZRQQ-UHFFFAOYSA-N 0 0 431.418 4.418 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000023316305 526599329 /nfs/dbraw/zinc/59/93/29/526599329.db2.gz HITARNNLQYGECS-HNNXBMFYSA-N 0 0 441.325 4.265 50 0 IIAARN Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)[nH]c(=O)c1C ZINC000012127089 526626851 /nfs/dbraw/zinc/62/68/51/526626851.db2.gz HNUIZONAPOOATR-UHFFFAOYSA-N 0 0 425.492 4.369 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(OCc2cscn2)cc1 ZINC000012683378 526638752 /nfs/dbraw/zinc/63/87/52/526638752.db2.gz INMNPVBXGYQBMV-UHFFFAOYSA-N 0 0 430.913 4.467 50 0 IIAARN Cc1noc([C@H](C)Sc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)n1 ZINC000022831217 526666566 /nfs/dbraw/zinc/66/65/66/526666566.db2.gz JNFSSERLYUFZHS-AAEUAGOBSA-N 0 0 432.571 4.061 50 0 IIAARN O=C(CCn1cnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 ZINC000035460099 526681990 /nfs/dbraw/zinc/68/19/90/526681990.db2.gz VYYPONTWLWXVPR-UHFFFAOYSA-N 0 0 435.915 4.343 50 0 IIAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012600636 526682595 /nfs/dbraw/zinc/68/25/95/526682595.db2.gz IMHSSEORPFNHJZ-XMMPIXPASA-N 0 0 440.499 4.198 50 0 IIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1Cl ZINC000012918398 526693763 /nfs/dbraw/zinc/69/37/63/526693763.db2.gz APTBNOPUERLIGD-UHFFFAOYSA-N 0 0 433.382 4.160 50 0 IIAARN O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012900507 526724797 /nfs/dbraw/zinc/72/47/97/526724797.db2.gz GRZJVMRTFYSISI-UHFFFAOYSA-N 0 0 432.915 4.130 50 0 IIAARN O=C(NCc1cccc2ccccc21)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000022506414 526729062 /nfs/dbraw/zinc/72/90/62/526729062.db2.gz WMKQWYNIYXRODR-UHFFFAOYSA-N 0 0 429.929 4.355 50 0 IIAARN Cc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)c1ccoc1 ZINC000012218979 526735721 /nfs/dbraw/zinc/73/57/21/526735721.db2.gz WSWWYTIUQAGBTC-UHFFFAOYSA-N 0 0 430.464 4.139 50 0 IIAARN O=C(c1ccc2cnn(Cc3ccc(F)cc3)c2c1)N1CCN(c2ccccc2F)CC1 ZINC000035560057 526736215 /nfs/dbraw/zinc/73/62/15/526736215.db2.gz OWMZDDWPUKBMFK-UHFFFAOYSA-N 0 0 432.474 4.325 50 0 IIAARN O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1)Nc1cccc(F)c1 ZINC000012999903 526765017 /nfs/dbraw/zinc/76/50/17/526765017.db2.gz MRWJXSKAIWOGBX-UHFFFAOYSA-N 0 0 441.890 4.136 50 0 IIAARN O=C(CN1CCN(C(=O)c2sc3ccccc3c2Cl)CC1)Nc1cccc(F)c1 ZINC000012931020 526766547 /nfs/dbraw/zinc/76/65/47/526766547.db2.gz HDUWNZOIWZZQFD-UHFFFAOYSA-N 0 0 431.920 4.090 50 0 IIAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020729765 526767161 /nfs/dbraw/zinc/76/71/61/526767161.db2.gz ZMVGAKIDROKANV-DEOSSOPVSA-N 0 0 425.532 4.450 50 0 IIAARN O=C(c1cccc(I)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012793915 526767747 /nfs/dbraw/zinc/76/77/47/526767747.db2.gz XSIUVDQNQIJNOD-INIZCTEOSA-N 0 0 435.261 4.040 50 0 IIAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012508150 526777137 /nfs/dbraw/zinc/77/71/37/526777137.db2.gz XLPNCIZPOQERBB-OXJNMPFZSA-N 0 0 442.537 4.011 50 0 IIAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4ccccc4C(N)=O)c(=O)oc3c2C)c1C ZINC000012899220 526779630 /nfs/dbraw/zinc/77/96/30/526779630.db2.gz HKFOYFIXSOSRGL-UHFFFAOYSA-N 0 0 432.476 4.443 50 0 biogenic IIAARN Cc1oc2cc(OCCN3CCOCC3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000020623208 526779883 /nfs/dbraw/zinc/77/98/83/526779883.db2.gz JLXCUZAUARAYBK-UHFFFAOYSA-N 0 0 444.325 4.242 50 0 IIAARN O=C(CN1CCN(c2ccccc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000036049185 526781793 /nfs/dbraw/zinc/78/17/93/526781793.db2.gz RZNDNEPTTBKXOB-HXUWFJFHSA-N 0 0 436.606 4.310 50 0 IIAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCCC1 ZINC000012536792 526792686 /nfs/dbraw/zinc/79/26/86/526792686.db2.gz YQWXNRADXLJUIR-UHFFFAOYSA-N 0 0 448.445 4.486 50 0 IIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)n1C ZINC000012195863 526798446 /nfs/dbraw/zinc/79/84/46/526798446.db2.gz QAUMQHHGFXPXAR-UHFFFAOYSA-N 0 0 442.932 4.013 50 0 IIAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCc1c[nH]c2ccccc12 ZINC000021540171 526828586 /nfs/dbraw/zinc/82/85/86/526828586.db2.gz MUCCAWWPKAVLEY-UHFFFAOYSA-N 0 0 428.517 4.033 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000012676672 526844302 /nfs/dbraw/zinc/84/43/02/526844302.db2.gz XYRCVSPMNWLLLE-UHFFFAOYSA-N 0 0 443.906 4.205 50 0 IIAARN O=C(CNC(=O)c1cccc(F)c1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012935594 526860427 /nfs/dbraw/zinc/86/04/27/526860427.db2.gz ATMARHCCTLAVNT-UHFFFAOYSA-N 0 0 448.317 4.004 50 0 IIAARN Cc1nc(CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cs1 ZINC000014380872 526864663 /nfs/dbraw/zinc/86/46/63/526864663.db2.gz MTONMOFQIPHFSL-UHFFFAOYSA-N 0 0 429.549 4.020 50 0 IIAARN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2c1C ZINC000012593493 526888447 /nfs/dbraw/zinc/88/84/47/526888447.db2.gz AKCMBASSRMBXSS-ZDUSSCGKSA-N 0 0 438.582 4.167 50 0 IIAARN O=C(c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)N1CCCC1 ZINC000012156289 526888830 /nfs/dbraw/zinc/88/88/30/526888830.db2.gz UAYJHSDJYFLOFF-UHFFFAOYSA-N 0 0 427.430 4.462 50 0 IIAARN Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c(=O)c2c1C ZINC000012926854 526897285 /nfs/dbraw/zinc/89/72/85/526897285.db2.gz YSVVKVWIDYFKRD-UHFFFAOYSA-N 0 0 430.942 4.490 50 0 IIAARN Cc1sc2ncnc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)c2c1C ZINC000020980134 526901786 /nfs/dbraw/zinc/90/17/86/526901786.db2.gz CWAPTWDJJGCXPA-QGZVFWFLSA-N 0 0 426.611 4.133 50 0 IIAARN Cc1nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cs1 ZINC000012774914 526904145 /nfs/dbraw/zinc/90/41/45/526904145.db2.gz KKVCGHJFYZJZES-UHFFFAOYSA-N 0 0 436.942 4.287 50 0 IIAARN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000014360891 526910890 /nfs/dbraw/zinc/91/08/90/526910890.db2.gz QBDJNWHVVJZTQB-FQEVSTJZSA-N 0 0 444.487 4.009 50 0 IIAARN O=C(COC(=O)c1n[nH]c2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000012629767 526918446 /nfs/dbraw/zinc/91/84/46/526918446.db2.gz JQQROOZEOMVJHB-MRXNPFEDSA-N 0 0 436.518 4.221 50 0 IIAARN Clc1ccc(CN2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1 ZINC000022917227 526945532 /nfs/dbraw/zinc/94/55/32/526945532.db2.gz GCLOMADRGJONMG-UHFFFAOYSA-N 0 0 437.765 4.192 50 0 IIAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1nn2c(nnc2C2CCCCC2)s1 ZINC000041108817 526974709 /nfs/dbraw/zinc/97/47/09/526974709.db2.gz DLHYIEXASDMYOB-UHFFFAOYSA-N 0 0 425.436 4.270 50 0 IIAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccs1 ZINC000012376092 526986399 /nfs/dbraw/zinc/98/63/99/526986399.db2.gz VRJGPLUMFYMBKA-FQEVSTJZSA-N 0 0 435.471 4.358 50 0 IIAARN O=C1COc2ccc(Cl)cc2N1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000023126629 527014932 /nfs/dbraw/zinc/01/49/32/527014932.db2.gz IOYKKRRTOILRML-UHFFFAOYSA-N 0 0 425.750 4.214 50 0 IIAARN Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cc(=O)n2ccsc2n1 ZINC000020866616 527024733 /nfs/dbraw/zinc/02/47/33/527024733.db2.gz JCGJOTCJDPVDPO-UHFFFAOYSA-N 0 0 438.559 4.024 50 0 IIAARN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2)NCc1ccco1 ZINC000012568230 527043504 /nfs/dbraw/zinc/04/35/04/527043504.db2.gz QVRUOAFWCXCBMT-UHFFFAOYSA-N 0 0 438.505 4.102 50 0 IIAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2)Nc1ccc(Cl)cc1 ZINC000020467737 527057263 /nfs/dbraw/zinc/05/72/63/527057263.db2.gz PGGKLNDDYIXGAP-UHFFFAOYSA-N 0 0 440.956 4.125 50 0 IIAARN O=C(CSc1nncn1Cc1ccco1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000032869320 527091640 /nfs/dbraw/zinc/09/16/40/527091640.db2.gz IRFCOXUWWFKRRJ-UHFFFAOYSA-N 0 0 445.957 4.351 50 0 IIAARN Cn1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2n(C)c1=O ZINC000033293944 527097453 /nfs/dbraw/zinc/09/74/53/527097453.db2.gz OKEYTYPAGJNCLC-IUXPMGMMSA-N 0 0 448.331 4.420 50 0 IIAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000035888521 527098113 /nfs/dbraw/zinc/09/81/13/527098113.db2.gz NEOQUXSDSNZVDF-LJQANCHMSA-N 0 0 442.471 4.464 50 0 IIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000015391011 527109886 /nfs/dbraw/zinc/10/98/86/527109886.db2.gz MTBAISCUBUEDAD-HNNXBMFYSA-N 0 0 428.888 4.190 50 0 IIAARN O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1ccc(Br)cc1 ZINC000001022480 527126396 /nfs/dbraw/zinc/12/63/96/527126396.db2.gz PVOHDIYVHGEBGR-UHFFFAOYSA-N 0 0 437.293 4.240 50 0 IIAARN Cc1nc2ccc(NC(=O)COc3ccc(F)cc3F)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143892 527141578 /nfs/dbraw/zinc/14/15/78/527141578.db2.gz YQEPJWLVHSDJGX-UHFFFAOYSA-N 0 0 439.393 4.129 50 0 IIAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000012555887 527145589 /nfs/dbraw/zinc/14/55/89/527145589.db2.gz FBNDPKZWNVQMOU-SFHVURJKSA-N 0 0 436.364 4.145 50 0 IIAARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020936050 527150451 /nfs/dbraw/zinc/15/04/51/527150451.db2.gz FIZMHPPSBSCURJ-HSZRJFAPSA-N 0 0 445.588 4.180 50 0 IIAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000035505169 527158269 /nfs/dbraw/zinc/15/82/69/527158269.db2.gz PWFGFCKBSVNOJW-LLVKDONJSA-N 0 0 435.322 4.448 50 0 IIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 ZINC000020850098 527187516 /nfs/dbraw/zinc/18/75/16/527187516.db2.gz HRHIPIMJDZYUNV-NRFANRHFSA-N 0 0 432.973 4.077 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033106820 527207074 /nfs/dbraw/zinc/20/70/74/527207074.db2.gz HHPFEEHJZDDRNG-AWEZNQCLSA-N 0 0 425.489 4.341 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)c1nc2c3ccccc3oc2c(N2CCOCC2)n1 ZINC000035513859 527209683 /nfs/dbraw/zinc/20/96/83/527209683.db2.gz SDECTUCHLLRUEC-UHFFFAOYSA-N 0 0 426.835 4.257 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001048434 527240922 /nfs/dbraw/zinc/24/09/22/527240922.db2.gz FGSHFWIQTSQVLR-UHFFFAOYSA-N 0 0 449.355 4.185 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 ZINC000012855746 527251254 /nfs/dbraw/zinc/25/12/54/527251254.db2.gz CXXAERPHIRKTHX-UHFFFAOYSA-N 0 0 426.469 4.265 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000012361346 527268992 /nfs/dbraw/zinc/26/89/92/527268992.db2.gz QRUOTTDKTRCHRH-LJQANCHMSA-N 0 0 435.318 4.184 50 0 IIAARN O=S(=O)(c1cccc2ccccc21)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012439354 527286194 /nfs/dbraw/zinc/28/61/94/527286194.db2.gz VXBJYBVSJMMDTP-QHCPKHFHSA-N 0 0 429.969 4.499 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032949991 527288705 /nfs/dbraw/zinc/28/87/05/527288705.db2.gz LSHJKWKWASPCQQ-UHFFFAOYSA-N 0 0 433.390 4.048 50 0 IIAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012573978 527288999 /nfs/dbraw/zinc/28/89/99/527288999.db2.gz BYUOFIKNGBILLX-UHFFFAOYSA-N 0 0 447.906 4.365 50 0 IIAARN O=S(=O)(c1ccccc1F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000035399378 527290476 /nfs/dbraw/zinc/29/04/76/527290476.db2.gz CQYGDJGKBHHWPG-UHFFFAOYSA-N 0 0 431.920 4.375 50 0 biogenic IIAARN O=S(=O)(c1nnn2c3ccsc3c(Nc3ccc(F)cc3)nc12)c1ccccc1 ZINC000020516293 527296401 /nfs/dbraw/zinc/29/64/01/527296401.db2.gz OOQPQBLXQOACPC-UHFFFAOYSA-N 0 0 425.470 4.055 50 0 IIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012742852 527299888 /nfs/dbraw/zinc/29/98/88/527299888.db2.gz CQAMKLQGRBIOKE-IBGZPJMESA-N 0 0 436.537 4.266 50 0 IIAARN O=C(Cc1cccs1)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C1CC1 ZINC000035767127 527300420 /nfs/dbraw/zinc/30/04/20/527300420.db2.gz RMQKUNSEZSXTRH-UHFFFAOYSA-N 0 0 426.513 4.243 50 0 IIAARN O=C(Nc1ccc2ncsc2c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000021001038 527302829 /nfs/dbraw/zinc/30/28/29/527302829.db2.gz RNIRPPUFXUPXIC-ZDUSSCGKSA-N 0 0 441.987 4.193 50 0 IIAARN O=S1(=O)CCN(Cc2ccco2)c2c(Oc3ccccc3F)nc(F)c(Cl)c21 ZINC000024615138 527307400 /nfs/dbraw/zinc/30/74/00/527307400.db2.gz XTJMOXMJJAVBFJ-UHFFFAOYSA-N 0 0 426.828 4.192 50 0 IIAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012407715 527324822 /nfs/dbraw/zinc/32/48/22/527324822.db2.gz BAIDEEYEYRGGFI-OAHLLOKOSA-N 0 0 426.314 4.421 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012605406 527343723 /nfs/dbraw/zinc/34/37/23/527343723.db2.gz SAVWMACPXLDDIM-UHFFFAOYSA-N 0 0 430.869 4.122 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)NC3CCCC3)C2)s1 ZINC000033113441 527345078 /nfs/dbraw/zinc/34/50/78/527345078.db2.gz CFNLEXRAVNORMJ-CYBMUJFWSA-N 0 0 433.965 4.275 50 0 IIAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000020852454 527352798 /nfs/dbraw/zinc/35/27/98/527352798.db2.gz PCAHRBUBGWREEM-UHFFFAOYSA-N 0 0 431.304 4.466 50 0 IIAARN O=C(Cn1c(=O)oc2ccccc21)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012757923 527354718 /nfs/dbraw/zinc/35/47/18/527354718.db2.gz QOJFDVNERPFTAH-RUZDIDTESA-N 0 0 441.462 4.389 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000015423674 527371056 /nfs/dbraw/zinc/37/10/56/527371056.db2.gz HPVUDUVJDDGNTC-UHFFFAOYSA-N 0 0 448.544 4.345 50 0 IIAARN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000012300323 527376681 /nfs/dbraw/zinc/37/66/81/527376681.db2.gz VLVTZNAPYXPVSM-KRWDZBQOSA-N 0 0 432.503 4.047 50 0 IIAARN O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1nsc2ccccc21 ZINC000035447674 527410564 /nfs/dbraw/zinc/41/05/64/527410564.db2.gz LFVZXOAENSZHLX-UHFFFAOYSA-N 0 0 431.473 4.207 50 0 IIAARN Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000021444390 527425296 /nfs/dbraw/zinc/42/52/96/527425296.db2.gz XBDBZSRHRKMDGW-UHFFFAOYSA-N 0 0 436.418 4.156 50 0 IIAARN O=C(Cn1nnc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000012568178 527428942 /nfs/dbraw/zinc/42/89/42/527428942.db2.gz VLUFWVJNIHDNBO-UHFFFAOYSA-N 0 0 436.463 4.049 50 0 IIAARN Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000012630073 527454499 /nfs/dbraw/zinc/45/44/99/527454499.db2.gz FPQUYCUQDPGYCB-INIZCTEOSA-N 0 0 429.851 4.160 50 0 IIAARN O=c1c2c(-c3ccccc3)csc2nc2n1N=C(c1ccc3c(c1)OCCO3)CS2 ZINC000012565602 527454970 /nfs/dbraw/zinc/45/49/70/527454970.db2.gz NSTKFYWKHAFKIA-UHFFFAOYSA-N 0 0 433.514 4.254 50 0 IIAARN O=C(NC1CC1)c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1 ZINC000012580862 527495170 /nfs/dbraw/zinc/49/51/70/527495170.db2.gz UPVACPATKGJFCX-UHFFFAOYSA-N 0 0 448.517 4.164 50 0 IIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012796135 527498467 /nfs/dbraw/zinc/49/84/67/527498467.db2.gz LTCUBTBDNIEQDP-INIZCTEOSA-N 0 0 427.476 4.118 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000012861608 527498597 /nfs/dbraw/zinc/49/85/97/527498597.db2.gz OCJHADFVCISGAE-INIZCTEOSA-N 0 0 429.295 4.293 50 0 IIAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024638637 527498715 /nfs/dbraw/zinc/49/87/15/527498715.db2.gz MGBFHHRUEPJRQY-CYBMUJFWSA-N 0 0 446.488 4.012 50 0 IIAARN O=C(Nc1nc2ccc(F)cc2s1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012853365 527513702 /nfs/dbraw/zinc/51/37/02/527513702.db2.gz PVHOAIFECUWWJX-JLHYYAGUSA-N 0 0 445.541 4.087 50 0 IIAARN O=C(NC1CCCCCC1)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012772008 527518947 /nfs/dbraw/zinc/51/89/47/527518947.db2.gz VZLFLCYDIVDINN-XLIONFOSSA-N 0 0 437.403 4.179 50 0 IIAARN O=C(NC1CCCCCC1)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012772020 527519237 /nfs/dbraw/zinc/51/92/37/527519237.db2.gz VZLFLCYDIVDINN-FXAWDEMLSA-N 0 0 437.403 4.179 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012782235 527521809 /nfs/dbraw/zinc/52/18/09/527521809.db2.gz TVIRELCEYIRIFI-JOCHJYFZSA-N 0 0 446.551 4.344 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnnn1-c1cc(C)cc(C)c1 ZINC000012800331 527522754 /nfs/dbraw/zinc/52/27/54/527522754.db2.gz VZVSFGAQAAHODT-UHFFFAOYSA-N 0 0 447.568 4.121 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)CC(C)(C)C)CC3)c12 ZINC000035912643 527554740 /nfs/dbraw/zinc/55/47/40/527554740.db2.gz NSEUVTNFLGSXRB-UHFFFAOYSA-N 0 0 448.615 4.407 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(NCCNC(=O)c3ccc(C)cc3)c12 ZINC000036000360 527566226 /nfs/dbraw/zinc/56/62/26/527566226.db2.gz TUZGXLMRDPLIQL-UHFFFAOYSA-N 0 0 434.931 4.236 50 0 IIAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccc1Br)SCC(=O)N2 ZINC000020891588 527569696 /nfs/dbraw/zinc/56/96/96/527569696.db2.gz YNLGODWIVDULKU-KRWDZBQOSA-N 0 0 444.358 4.125 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000021660711 527571362 /nfs/dbraw/zinc/57/13/62/527571362.db2.gz VITGOYMCNZIRKK-CYBMUJFWSA-N 0 0 440.276 4.433 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000015670150 527573772 /nfs/dbraw/zinc/57/37/72/527573772.db2.gz NAPLTGLLMAFIMY-GOSISDBHSA-N 0 0 430.899 4.469 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1ccc(C)c(C)c1)CC(=O)N2 ZINC000021726757 527574140 /nfs/dbraw/zinc/57/41/40/527574140.db2.gz QQQTZXFJUAZKSU-LJQANCHMSA-N 0 0 428.471 4.263 50 0 IIAARN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012823218 527617711 /nfs/dbraw/zinc/61/77/11/527617711.db2.gz ABACGVXCXSEXKD-OJXHRBAXSA-N 0 0 433.517 4.270 50 0 IIAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000011937461 527618700 /nfs/dbraw/zinc/61/87/00/527618700.db2.gz HAFZRFLOKBKDGV-XMMPIXPASA-N 0 0 441.575 4.201 50 0 IIAARN O=C(/C=C/c1cccc(F)c1F)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 ZINC000012157615 527625807 /nfs/dbraw/zinc/62/58/07/527625807.db2.gz KHSMLGXWYOAHAV-XTXLJPNXSA-N 0 0 446.538 4.215 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020599653 527632815 /nfs/dbraw/zinc/63/28/15/527632815.db2.gz BCSHFQGRARCBHD-QBQQZWISSA-N 0 0 445.607 4.063 50 0 IIAARN O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012507958 527650210 /nfs/dbraw/zinc/65/02/10/527650210.db2.gz OVRJROHIVGLPHZ-BUHFOSPRSA-N 0 0 437.452 4.420 50 0 IIAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020714170 527657186 /nfs/dbraw/zinc/65/71/86/527657186.db2.gz NLCONQVJVOYZOZ-GMHWZGAVSA-N 0 0 427.976 4.389 50 0 IIAARN CC(C)(C)c1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)/C(=C/c1ccccc1)O2 ZINC000003050393 535124334 /nfs/dbraw/zinc/12/43/34/535124334.db2.gz FHTYEMGOGVFXCR-SPMKTWQFSA-N 0 0 434.536 4.046 50 0 IIAARN CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cccc(OC)c1OC ZINC000013041075 535392730 /nfs/dbraw/zinc/39/27/30/535392730.db2.gz UHZKPDSOVRGKLL-NRFANRHFSA-N 0 0 439.581 4.282 50 0 IIAARN CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCCC3)nn2)c1C ZINC000008605630 535521897 /nfs/dbraw/zinc/52/18/97/535521897.db2.gz GBHHCMPJPVPLSA-UHFFFAOYSA-N 0 0 448.571 4.239 50 0 IIAARN CCc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)s1 ZINC000009877032 535852711 /nfs/dbraw/zinc/85/27/11/535852711.db2.gz LWXUIGSEQIUJFH-NQIIRXRSSA-N 0 0 436.537 4.232 50 0 IIAARN CCc1cccc(CC)c1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010084624 535879084 /nfs/dbraw/zinc/87/90/84/535879084.db2.gz PESQVGZFFRUCQL-UHFFFAOYSA-N 0 0 446.477 4.123 50 0 IIAARN COc1ccc(-c2nc(CN3C(=O)CSc4nc(C)cc(C)c43)c(C)o2)cc1OC ZINC000008911525 536512475 /nfs/dbraw/zinc/51/24/75/536512475.db2.gz XCJNLKMXUJJMQU-UHFFFAOYSA-N 0 0 425.510 4.318 50 0 IIAARN COc1cc2c(cc1Br)oc(C)c2C(=O)N1CCN(c2ccccc2)CC1 ZINC000004313134 536889101 /nfs/dbraw/zinc/88/91/01/536889101.db2.gz KQIYRTRYFJCLHP-UHFFFAOYSA-N 0 0 429.314 4.475 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000010542028 536969600 /nfs/dbraw/zinc/96/96/00/536969600.db2.gz QPHVOJYUWAZENY-UHFFFAOYSA-N 0 0 448.544 4.040 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccccc2OC)C1 ZINC000013726470 537001868 /nfs/dbraw/zinc/00/18/68/537001868.db2.gz JBTDNPCESGMYSN-UHFFFAOYSA-N 0 0 428.492 4.326 50 0 IIAARN Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2Cl)c1 ZINC000009162376 555510096 /nfs/dbraw/zinc/51/00/96/555510096.db2.gz YYOSREJVZWSLMH-UHFFFAOYSA-N 0 0 440.956 4.446 50 0 IIAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCC(=O)N1CCOCC1 ZINC000000643217 555519341 /nfs/dbraw/zinc/51/93/41/555519341.db2.gz BKUARHAUYBXOJH-UHFFFAOYSA-N 0 0 437.323 4.100 50 0 IIAARN COc1ccccc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccs3)nn21 ZINC000000645571 555520382 /nfs/dbraw/zinc/52/03/82/555520382.db2.gz GTJLOTYWHANLQK-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 IIAARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000000645647 555520406 /nfs/dbraw/zinc/52/04/06/555520406.db2.gz TVZCINBZFUKVLH-UHFFFAOYSA-N 0 0 429.494 4.195 50 0 IIAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cn1)C1c3ccccc3C2c2ccccc21 ZINC000000662848 555527392 /nfs/dbraw/zinc/52/73/92/555527392.db2.gz CMYYZVUKHZNWAJ-TZWRJOPASA-N 0 0 431.289 4.241 50 0 IIAARN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000000664377 555527549 /nfs/dbraw/zinc/52/75/49/555527549.db2.gz HYJLPCOGXKCJLF-UHFFFAOYSA-N 0 0 425.696 4.045 50 0 IIAARN Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000000667464 555529258 /nfs/dbraw/zinc/52/92/58/555529258.db2.gz ZAEWFZFNZUPUCI-UHFFFAOYSA-N 0 0 426.929 4.333 50 0 IIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000000674631 555533467 /nfs/dbraw/zinc/53/34/67/555533467.db2.gz DFXHUHTZRXTCBM-UHFFFAOYSA-N 0 0 430.570 4.311 50 0 IIAARN COc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000000676738 555534893 /nfs/dbraw/zinc/53/48/93/555534893.db2.gz WHJKEXKOLSDLOU-UHFFFAOYSA-N 0 0 429.723 4.003 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000677205 555535529 /nfs/dbraw/zinc/53/55/29/555535529.db2.gz OQYUWTAJTMLDLB-UHFFFAOYSA-N 0 0 440.381 4.454 50 0 IIAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2Cl)CC1 ZINC000000679712 555536854 /nfs/dbraw/zinc/53/68/54/555536854.db2.gz DTHZVVPESDWOEH-UHFFFAOYSA-N 0 0 445.947 4.058 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000682643 555538241 /nfs/dbraw/zinc/53/82/41/555538241.db2.gz PYENIUGWBSWLIM-UHFFFAOYSA-N 0 0 440.862 4.493 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc5ccccc5c4)n3N)oc21 ZINC000000687509 555540756 /nfs/dbraw/zinc/54/07/56/555540756.db2.gz UBSQPYVOPFRHRT-UHFFFAOYSA-N 0 0 445.504 4.298 50 0 IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000000695960 555542653 /nfs/dbraw/zinc/54/26/53/555542653.db2.gz DNAPGNWGOOJPFW-CVEARBPZSA-N 0 0 428.554 4.372 50 0 IIAARN COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000000729923 555552942 /nfs/dbraw/zinc/55/29/42/555552942.db2.gz KLZYCSMHKACZJO-LLVKDONJSA-N 0 0 438.343 4.440 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)c1)c1ccco1 ZINC000000781735 555555526 /nfs/dbraw/zinc/55/55/26/555555526.db2.gz GGCMZLAYLRWTEM-UHFFFAOYSA-N 0 0 436.445 4.210 50 0 IIAARN CCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000786420 555556442 /nfs/dbraw/zinc/55/64/42/555556442.db2.gz JUIIVYAEZKGRSF-UHFFFAOYSA-N 0 0 428.485 4.058 50 0 IIAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)o2)c1 ZINC000000812280 555560902 /nfs/dbraw/zinc/56/09/02/555560902.db2.gz FGFLPOXXMOWIEM-UHFFFAOYSA-N 0 0 442.537 4.499 50 0 IIAARN COc1ccc(O[C@H]2C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000816111 555562549 /nfs/dbraw/zinc/56/25/49/555562549.db2.gz RHXYUJQZKIAQJZ-DNQXCXABSA-N 0 0 437.467 4.383 50 0 IIAARN COC(=O)c1c2c(sc1N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)CCCC2 ZINC000000822187 555564130 /nfs/dbraw/zinc/56/41/30/555564130.db2.gz IDAFCHSLEMRJGQ-OAHLLOKOSA-N 0 0 427.781 4.294 50 0 IIAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1nc2ccccc2s1 ZINC000000832906 555566599 /nfs/dbraw/zinc/56/65/99/555566599.db2.gz AGOGSDOHGNRXGP-UHFFFAOYSA-N 0 0 425.425 4.265 50 0 IIAARN COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)CC2=O)cc1 ZINC000000837573 555567362 /nfs/dbraw/zinc/56/73/62/555567362.db2.gz BZVSZSNKHIITGC-OAQYLSRUSA-N 0 0 429.472 4.141 50 0 IIAARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000000844090 555568424 /nfs/dbraw/zinc/56/84/24/555568424.db2.gz NARKFKZWFGAAKT-UHFFFAOYSA-N 0 0 437.473 4.423 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3n2)cc1OC ZINC000000844980 555569015 /nfs/dbraw/zinc/56/90/15/555569015.db2.gz QRJRQZMDTJHECQ-UHFFFAOYSA-N 0 0 448.445 4.449 50 0 IIAARN CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Br)cc1 ZINC000000845580 555569309 /nfs/dbraw/zinc/56/93/09/555569309.db2.gz QPNBSLWAZLNVKS-SFHVURJKSA-N 0 0 430.302 4.114 50 0 IIAARN COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1OC ZINC000000867229 555574370 /nfs/dbraw/zinc/57/43/70/555574370.db2.gz MEAHOBVOLUAMBK-GOSISDBHSA-N 0 0 431.945 4.097 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000000869802 555575064 /nfs/dbraw/zinc/57/50/64/555575064.db2.gz PRCUVIANJTUXDP-UHFFFAOYSA-N 0 0 429.464 4.274 50 0 IIAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000876314 555576129 /nfs/dbraw/zinc/57/61/29/555576129.db2.gz BIQMSBJVKLYUKY-UHFFFAOYSA-N 0 0 432.933 4.270 50 0 IIAARN Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(C)c1Cl ZINC000000935628 555586004 /nfs/dbraw/zinc/58/60/04/555586004.db2.gz MVAFPPKPQZFHLL-LBPRGKRZSA-N 0 0 438.958 4.376 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nnc2-c2ccncc2)cc1 ZINC000000949960 555588744 /nfs/dbraw/zinc/58/87/44/555588744.db2.gz FOKREUDJOHPKMN-UHFFFAOYSA-N 0 0 430.489 4.341 50 0 IIAARN COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 ZINC000000957803 555590631 /nfs/dbraw/zinc/59/06/31/555590631.db2.gz LFZGVQSJJWYPGK-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN O=C(COc1ccccc1)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000000980426 555593045 /nfs/dbraw/zinc/59/30/45/555593045.db2.gz OOWBNOHMWUOUMC-UHFFFAOYSA-N 0 0 438.896 4.435 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000000986178 555594768 /nfs/dbraw/zinc/59/47/68/555594768.db2.gz CHUIKKBNDXVFAJ-HNNXBMFYSA-N 0 0 426.567 4.304 50 0 IIAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(=O)OC)cc3n2)cc1 ZINC000000994101 555598063 /nfs/dbraw/zinc/59/80/63/555598063.db2.gz NAHVVLBGRDHCAY-UHFFFAOYSA-N 0 0 430.464 4.142 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000001004038 555600835 /nfs/dbraw/zinc/60/08/35/555600835.db2.gz UEHGLGAIWYHOSR-UHFFFAOYSA-N 0 0 435.299 4.120 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2cccc(C)c2)cc1 ZINC000001016055 555602517 /nfs/dbraw/zinc/60/25/17/555602517.db2.gz OFENVKHGMRYTMR-UHFFFAOYSA-N 0 0 426.513 4.272 50 0 IIAARN COc1ccc(OC[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1 ZINC000001032786 555606498 /nfs/dbraw/zinc/60/64/98/555606498.db2.gz JUUNGGSMVLJTQR-INIZCTEOSA-N 0 0 444.940 4.065 50 0 IIAARN Cc1nn(Cc2nnc(SCc3ccccc3Cl)n2C)c(C)c1Br ZINC000001037713 555608747 /nfs/dbraw/zinc/60/87/47/555608747.db2.gz CKZLJHJYHJDMDI-UHFFFAOYSA-N 0 0 426.771 4.385 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc2nonc2c1 ZINC000001040122 555609720 /nfs/dbraw/zinc/60/97/20/555609720.db2.gz WSGVCBHMWRYCTI-UHFFFAOYSA-N 0 0 435.296 4.056 50 0 IIAARN COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001048436 555611849 /nfs/dbraw/zinc/61/18/49/555611849.db2.gz IWNLDQPKTBRWAF-UHFFFAOYSA-N 0 0 431.945 4.319 50 0 IIAARN COC(=O)c1cc(C)sc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000001062465 555616723 /nfs/dbraw/zinc/61/67/23/555616723.db2.gz PKYDPOSMHDCNRC-CYBMUJFWSA-N 0 0 444.456 4.304 50 0 IIAARN COc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1Cl ZINC000001067930 555619366 /nfs/dbraw/zinc/61/93/66/555619366.db2.gz KGLSFXDTCAMMLS-UHFFFAOYSA-N 0 0 438.871 4.352 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000001068932 555619932 /nfs/dbraw/zinc/61/99/32/555619932.db2.gz ABFUMIQINZYCOX-VWLOTQADSA-N 0 0 435.907 4.399 50 0 IIAARN Cc1ccc(C)c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000001069058 555620005 /nfs/dbraw/zinc/62/00/05/555620005.db2.gz GVAYBAMLVFLWFE-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN Nc1cc(=O)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1-c1ccccc1 ZINC000001069764 555620618 /nfs/dbraw/zinc/62/06/18/555620618.db2.gz RSOVXZFNYOGIRI-UHFFFAOYSA-N 0 0 440.613 4.401 50 0 IIAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)nn12 ZINC000001070548 555620835 /nfs/dbraw/zinc/62/08/35/555620835.db2.gz WCFGQMXFIMZSQQ-UHFFFAOYSA-N 0 0 436.566 4.159 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1OC ZINC000001070995 555621122 /nfs/dbraw/zinc/62/11/22/555621122.db2.gz IJPNFQVEDAUFKZ-UHFFFAOYSA-N 0 0 448.504 4.342 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(CSCc2ccccc2)n1C ZINC000001109018 555630528 /nfs/dbraw/zinc/63/05/28/555630528.db2.gz LENRLCYYHTWANL-UHFFFAOYSA-N 0 0 428.583 4.296 50 0 IIAARN Cc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)s1 ZINC000001117704 555635091 /nfs/dbraw/zinc/63/50/91/555635091.db2.gz XKSGHAFNDGYNST-UHFFFAOYSA-N 0 0 433.340 4.305 50 0 IIAARN CCOc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc(Cl)c1OCc1ccccc1 ZINC000001121318 555637925 /nfs/dbraw/zinc/63/79/25/555637925.db2.gz NLKUSEXDEHWVGF-IBGZPJMESA-N 0 0 446.956 4.284 50 0 IIAARN COc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000001123702 555639321 /nfs/dbraw/zinc/63/93/21/555639321.db2.gz OMIDUKLJYKPMRG-MRXNPFEDSA-N 0 0 439.320 4.006 50 0 IIAARN CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000001124352 555639598 /nfs/dbraw/zinc/63/95/98/555639598.db2.gz QDEVWCZXVACUBB-GOSISDBHSA-N 0 0 426.513 4.005 50 0 IIAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc(I)cc1Cl ZINC000001126176 555640742 /nfs/dbraw/zinc/64/07/42/555640742.db2.gz RAIMDYBPDOBYIL-UHFFFAOYSA-N 0 0 444.725 4.390 50 0 IIAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(O)c(Cl)c2)NC(=O)N1 ZINC000001126893 555641399 /nfs/dbraw/zinc/64/13/99/555641399.db2.gz BGBMADNBTREPCM-MRXNPFEDSA-N 0 0 425.794 4.331 50 0 IIAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)cc(Cl)c1OC ZINC000001127003 555641657 /nfs/dbraw/zinc/64/16/57/555641657.db2.gz KKJOTICSXVSJOA-GOSISDBHSA-N 0 0 431.945 4.097 50 0 IIAARN CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc2c1=O ZINC000001127743 555642222 /nfs/dbraw/zinc/64/22/22/555642222.db2.gz OFZNWIUINOCFDR-UHFFFAOYSA-N 0 0 429.545 4.414 50 0 IIAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000001131872 555645033 /nfs/dbraw/zinc/64/50/33/555645033.db2.gz FKKRWJZUNHAPRA-UHFFFAOYSA-N 0 0 439.566 4.351 50 0 IIAARN CC(C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000001133741 555646276 /nfs/dbraw/zinc/64/62/76/555646276.db2.gz DOHLEZCWHAAKBB-LICLKQGHSA-N 0 0 433.277 4.468 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000001137798 555648063 /nfs/dbraw/zinc/64/80/63/555648063.db2.gz HLOBTPLBAMOXGL-UHFFFAOYSA-N 0 0 434.517 4.347 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000001139027 555648356 /nfs/dbraw/zinc/64/83/56/555648356.db2.gz HJWZACVCDJRGEY-UHFFFAOYSA-N 0 0 441.258 4.417 50 0 IIAARN CCc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000001139268 555648813 /nfs/dbraw/zinc/64/88/13/555648813.db2.gz GTZHKLAELBJQIA-UHFFFAOYSA-N 0 0 438.549 4.400 50 0 IIAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(I)cc1 ZINC000001139706 555649084 /nfs/dbraw/zinc/64/90/84/555649084.db2.gz HDYLOJZIPLKTJO-UHFFFAOYSA-N 0 0 428.229 4.043 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000001139531 555649077 /nfs/dbraw/zinc/64/90/77/555649077.db2.gz DILHEYBXPJGDMJ-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001142453 555650922 /nfs/dbraw/zinc/65/09/22/555650922.db2.gz IGYKYZBFZXUNLJ-UHFFFAOYSA-N 0 0 449.306 4.311 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000001142986 555651209 /nfs/dbraw/zinc/65/12/09/555651209.db2.gz DHNAGALUJSHKRC-UHFFFAOYSA-N 0 0 431.359 4.208 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000001143124 555651250 /nfs/dbraw/zinc/65/12/50/555651250.db2.gz AYKYMAYWYHHAOH-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2CC)cc1 ZINC000001144622 555652334 /nfs/dbraw/zinc/65/23/34/555652334.db2.gz BMALMKLWLOWVIJ-UHFFFAOYSA-N 0 0 426.542 4.027 50 0 IIAARN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1Cl ZINC000001147918 555654696 /nfs/dbraw/zinc/65/46/96/555654696.db2.gz XXJXNFOTIASFDE-UHFFFAOYSA-N 0 0 436.961 4.277 50 0 IIAARN O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000001151941 555656888 /nfs/dbraw/zinc/65/68/88/555656888.db2.gz ZTYQATUCDJFXST-UHFFFAOYSA-N 0 0 441.322 4.015 50 0 IIAARN C[C@H](C(=O)NC1CCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001152573 555657228 /nfs/dbraw/zinc/65/72/28/555657228.db2.gz HUAVFGYPDYOORK-GOSISDBHSA-N 0 0 430.570 4.472 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001155015 555658426 /nfs/dbraw/zinc/65/84/26/555658426.db2.gz TVXBNNHLJSPBRH-VBQJREDUSA-N 0 0 433.213 4.097 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2Br)c(C)c1 ZINC000001158972 555660860 /nfs/dbraw/zinc/66/08/60/555660860.db2.gz WXWUCKHXOUYABB-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2cccc(Br)c2)NC(=S)N1 ZINC000001162756 555662690 /nfs/dbraw/zinc/66/26/90/555662690.db2.gz ONLPPPRONZYLGY-INIZCTEOSA-N 0 0 438.297 4.159 50 0 IIAARN COc1ccc(Cl)cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O ZINC000001168948 555665295 /nfs/dbraw/zinc/66/52/95/555665295.db2.gz KEYJOYVZGQHYDK-IBGZPJMESA-N 0 0 428.901 4.367 50 0 IIAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000001173173 555668147 /nfs/dbraw/zinc/66/81/47/555668147.db2.gz LCWSNMFFXLCCFX-UHFFFAOYSA-N 0 0 436.375 4.431 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001173141 555668186 /nfs/dbraw/zinc/66/81/86/555668186.db2.gz UZPLAKMGHXTWKC-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001174166 555668570 /nfs/dbraw/zinc/66/85/70/555668570.db2.gz IIJVRPXWOUKMKR-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN COc1ccccc1NC(=O)c1cc(OC(C)=O)cc(C(=O)Nc2ccccc2OC)c1 ZINC000001175146 555669213 /nfs/dbraw/zinc/66/92/13/555669213.db2.gz GBLLEMJKKOCOLJ-UHFFFAOYSA-N 0 0 434.448 4.134 50 0 IIAARN COc1ccc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001177281 555670224 /nfs/dbraw/zinc/67/02/24/555670224.db2.gz VBNMTFHLEDVVPZ-UHFFFAOYSA-N 0 0 425.506 4.356 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1 ZINC000001184681 555673428 /nfs/dbraw/zinc/67/34/28/555673428.db2.gz JYFCMKRAGKHLNR-QFIPXVFZSA-N 0 0 445.544 4.226 50 0 IIAARN O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccccc1)Nc1ccccc1 ZINC000001185485 555673958 /nfs/dbraw/zinc/67/39/58/555673958.db2.gz UGNVLCRLCDBLKF-JOCHJYFZSA-N 0 0 429.545 4.213 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)sc2c1 ZINC000001186498 555674655 /nfs/dbraw/zinc/67/46/55/555674655.db2.gz PZKLXVOHAOEIIS-MRXNPFEDSA-N 0 0 441.578 4.244 50 0 IIAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000001188193 555674923 /nfs/dbraw/zinc/67/49/23/555674923.db2.gz ZQXYJJRADGHIFS-LJQANCHMSA-N 0 0 431.945 4.097 50 0 IIAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001190298 555675506 /nfs/dbraw/zinc/67/55/06/555675506.db2.gz XQWQOZPEHOZOCD-IBGZPJMESA-N 0 0 431.945 4.097 50 0 IIAARN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000001196817 555676942 /nfs/dbraw/zinc/67/69/42/555676942.db2.gz DASAGIZWWJFNNY-UHFFFAOYSA-N 0 0 444.350 4.467 50 0 IIAARN Cc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2I)cc1 ZINC000001215950 555683974 /nfs/dbraw/zinc/68/39/74/555683974.db2.gz TYXITXHYMFEILI-UHFFFAOYSA-N 0 0 434.229 4.276 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001220390 555685729 /nfs/dbraw/zinc/68/57/29/555685729.db2.gz WQGJUGFEYLONQJ-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Br ZINC000001230712 555686592 /nfs/dbraw/zinc/68/65/92/555686592.db2.gz OMVJINJLLNBHJM-UHFFFAOYSA-N 0 0 445.766 4.385 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1Br ZINC000001230640 555686606 /nfs/dbraw/zinc/68/66/06/555686606.db2.gz UTCLRYXKCIEHAE-UHFFFAOYSA-N 0 0 425.348 4.040 50 0 IIAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2Br)c1C ZINC000001247066 555687497 /nfs/dbraw/zinc/68/74/97/555687497.db2.gz BBHDWTQALVXUBG-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000001441252 555697613 /nfs/dbraw/zinc/69/76/13/555697613.db2.gz XRKOYAYXCKZBBL-DNQXCXABSA-N 0 0 433.479 4.494 50 0 IIAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446587 555699235 /nfs/dbraw/zinc/69/92/35/555699235.db2.gz SHOXLNCYUCNMQA-MRXNPFEDSA-N 0 0 446.787 4.416 50 0 IIAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccccc1F ZINC000001459566 555700188 /nfs/dbraw/zinc/70/01/88/555700188.db2.gz AWWKNERKTCJJTK-UHFFFAOYSA-N 0 0 427.447 4.458 50 0 IIAARN COc1ccc(CCN2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001460046 555700523 /nfs/dbraw/zinc/70/05/23/555700523.db2.gz SOFIZYLXPATMLD-DQEYMECFSA-N 0 0 431.488 4.306 50 0 IIAARN O=S(=O)(c1ccc(F)cc1Cl)N1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889607 555726030 /nfs/dbraw/zinc/72/60/30/555726030.db2.gz KMYVLHJCEAUYHJ-MRXNPFEDSA-N 0 0 447.919 4.488 50 0 IIAARN c1ccc(Cc2noc(CN3CCC4(C[C@@H]4c4nnc(-c5ccccc5)o4)CC3)n2)cc1 ZINC000071889693 555726588 /nfs/dbraw/zinc/72/65/88/555726588.db2.gz CRXJAUSTQIVVNH-HXUWFJFHSA-N 0 0 427.508 4.480 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002060715 555732060 /nfs/dbraw/zinc/73/20/60/555732060.db2.gz JXOHEUIELJAASQ-ZRDDSIGQSA-N 0 0 446.300 4.295 50 0 IIAARN COCCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)CCCC2 ZINC000002089775 555741112 /nfs/dbraw/zinc/74/11/12/555741112.db2.gz PGDMSMZRBWIBCB-UHFFFAOYSA-N 0 0 428.304 4.038 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CCc2ccccc2)n1CCOC ZINC000002146020 555749061 /nfs/dbraw/zinc/74/90/61/555749061.db2.gz NWAHXWRXHQHNKX-UHFFFAOYSA-N 0 0 438.597 4.311 50 0 IIAARN Cc1cccc(C)c1OCCNC(=O)c1ccccc1OCC(=O)N1CCc2ccccc21 ZINC000002171959 555752136 /nfs/dbraw/zinc/75/21/36/555752136.db2.gz WKRQWOXKSDAFAX-UHFFFAOYSA-N 0 0 444.531 4.080 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccccn2)cc1 ZINC000002198964 555757141 /nfs/dbraw/zinc/75/71/41/555757141.db2.gz OIPVQNXAUKVXMX-UHFFFAOYSA-N 0 0 445.504 4.097 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000002265189 555763688 /nfs/dbraw/zinc/76/36/88/555763688.db2.gz SNQYDNUUPZKPQP-UHFFFAOYSA-N 0 0 440.916 4.069 50 0 IIAARN O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000002262629 555763692 /nfs/dbraw/zinc/76/36/92/555763692.db2.gz HQIAKZRUASOCJT-UHFFFAOYSA-N 0 0 431.451 4.335 50 0 IIAARN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Br)s1 ZINC000002313369 555767993 /nfs/dbraw/zinc/76/79/93/555767993.db2.gz SCDPNAWSZRBZEW-CQSZACIVSA-N 0 0 431.105 4.335 50 0 IIAARN COC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002316993 555768261 /nfs/dbraw/zinc/76/82/61/555768261.db2.gz RPZJUBJJBRLVOF-OAQYLSRUSA-N 0 0 432.398 4.431 50 0 IIAARN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000002342134 555770169 /nfs/dbraw/zinc/77/01/69/555770169.db2.gz RAUKEYIBMVJCTA-UHFFFAOYSA-N 0 0 438.484 4.368 50 0 IIAARN CC1(C)Cc2c(sc3nc(Nc4ccccc4)n(NC(=O)c4ccccc4)c(=O)c23)CO1 ZINC000002373171 555773297 /nfs/dbraw/zinc/77/32/97/555773297.db2.gz UJKCEGUDRXZMTJ-UHFFFAOYSA-N 0 0 446.532 4.437 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 ZINC000002376304 555773666 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CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002776426 556140519 /nfs/dbraw/zinc/14/05/19/556140519.db2.gz ALKLHVWKNFWGBJ-CQSZACIVSA-N 0 0 441.586 4.484 50 0 IIAARN Cn1nc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(Cl)c1C(F)(F)F ZINC000002778313 556141028 /nfs/dbraw/zinc/14/10/28/556141028.db2.gz RVVHEEHEYQMTIU-UHFFFAOYSA-N 0 0 443.779 4.005 50 0 IIAARN Cc1cccn2c(=O)c3cc(C(=O)N(Cc4ccccc4)Cc4ccccc4)n(C)c3nc12 ZINC000002917207 556148980 /nfs/dbraw/zinc/14/89/80/556148980.db2.gz OPZCBWQLGITRSX-UHFFFAOYSA-N 0 0 436.515 4.337 50 0 IIAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000002905399 556149662 /nfs/dbraw/zinc/14/96/62/556149662.db2.gz XBDIDNJWGRJLHG-CQSZACIVSA-N 0 0 426.797 4.462 50 0 IIAARN COc1cc(Cl)c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1OC ZINC000010592455 556150357 /nfs/dbraw/zinc/15/03/57/556150357.db2.gz AAKKVDVLIXWCAH-UHFFFAOYSA-N 0 0 441.915 4.436 50 0 IIAARN O=C(Nc1cccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1)C1CCC1 ZINC000033296662 556157964 /nfs/dbraw/zinc/15/79/64/556157964.db2.gz GTUSXIZJGBXPDP-HNNXBMFYSA-N 0 0 445.441 4.436 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000008396025 556163357 /nfs/dbraw/zinc/16/33/57/556163357.db2.gz HKURMGCKKRBEBK-BXUJETTOSA-N 0 0 429.469 4.393 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000008433190 556172727 /nfs/dbraw/zinc/17/27/27/556172727.db2.gz VWLDFXNKKZBVCT-UHFFFAOYSA-N 0 0 430.460 4.031 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(SC)ns1)CCCC2 ZINC000008436824 556173383 /nfs/dbraw/zinc/17/33/83/556173383.db2.gz JFGWEDRRULQFSC-UHFFFAOYSA-N 0 0 429.614 4.108 50 0 IIAARN COc1cc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)cc(OC)c1OC ZINC000008452516 556182790 /nfs/dbraw/zinc/18/27/90/556182790.db2.gz JLMPAZPQWCMUTC-UHFFFAOYSA-N 0 0 434.920 4.394 50 0 IIAARN CCn1cc(Cl)c(C(=O)Nc2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)n1 ZINC000008455328 556185626 /nfs/dbraw/zinc/18/56/26/556185626.db2.gz WZQXJIAGALVXJW-UHFFFAOYSA-N 0 0 447.795 4.366 50 0 IIAARN CCOc1ccccc1CNC(=O)CSc1nnc(C)c2c(C)n(-c3ccccc3)nc21 ZINC000008594890 556189916 /nfs/dbraw/zinc/18/99/16/556189916.db2.gz LDTKZCFQHMUAIH-UHFFFAOYSA-N 0 0 447.564 4.240 50 0 IIAARN COc1cc2nc(NCCc3ccccc3)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000008604728 556191303 /nfs/dbraw/zinc/19/13/03/556191303.db2.gz XHXPQTWSWNTTNU-UHFFFAOYSA-N 0 0 426.480 4.011 50 0 IIAARN CC(C)CC(=O)N[C@H](NC(=S)Nc1cccc2cccnc21)C(Cl)(Cl)Cl ZINC000008666565 556197871 /nfs/dbraw/zinc/19/78/71/556197871.db2.gz BVTNRBKKRGUAPD-OAHLLOKOSA-N 0 0 433.792 4.380 50 0 IIAARN CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000008715582 556201981 /nfs/dbraw/zinc/20/19/81/556201981.db2.gz RIKQGGTUOZPTEN-UHFFFAOYSA-N 0 0 430.507 4.013 50 0 IIAARN CCOC(=O)N=c1[nH]c(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)s1 ZINC000008715557 556202066 /nfs/dbraw/zinc/20/20/66/556202066.db2.gz OBLAPSROUYNVPO-UHFFFAOYSA-N 0 0 436.493 4.395 50 0 IIAARN O=C(CSc1ncnc2sc3c(c21)CCCCC3)Nc1ccc2c(c1)OCCO2 ZINC000008828075 556224486 /nfs/dbraw/zinc/22/44/86/556224486.db2.gz LTYUZRGCUPGXIQ-UHFFFAOYSA-N 0 0 427.551 4.462 50 0 IIAARN Cc1ccccc1N(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000008829840 556225210 /nfs/dbraw/zinc/22/52/10/556225210.db2.gz OGVYDQUSYUXBMK-UHFFFAOYSA-N 0 0 446.638 4.372 50 0 IIAARN O=C(CN1CCOCC1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000097472315 556226463 /nfs/dbraw/zinc/22/64/63/556226463.db2.gz VIULQMBZPBNPFF-BYZHCKJZSA-N 0 0 427.595 4.265 50 0 IIAARN COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1Cl ZINC000008911025 556231548 /nfs/dbraw/zinc/23/15/48/556231548.db2.gz PAJPGWGRPCMEKI-CYBMUJFWSA-N 0 0 449.290 4.029 50 0 IIAARN O=C1N[C@H](c2ccccc2Cl)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915407 556232551 /nfs/dbraw/zinc/23/25/51/556232551.db2.gz RWECVCFVBJZYFD-CPUCHLNUSA-N 0 0 433.213 4.097 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccnc1 ZINC000008923635 556234106 /nfs/dbraw/zinc/23/41/06/556234106.db2.gz RRWMYXQMKSNTOR-JOCHJYFZSA-N 0 0 427.287 4.396 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000009072504 556245197 /nfs/dbraw/zinc/24/51/97/556245197.db2.gz FAQTWXILSACRNP-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000009128909 556248592 /nfs/dbraw/zinc/24/85/92/556248592.db2.gz TXWUJIHORUDQJM-UHFFFAOYSA-N 0 0 446.941 4.421 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197290 556255332 /nfs/dbraw/zinc/25/53/32/556255332.db2.gz NQMKSNIPKNTQCL-RTBURBONSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009197515 556255696 /nfs/dbraw/zinc/25/56/96/556255696.db2.gz QMOXSPXGUFPXKJ-OALUTQOASA-N 0 0 443.960 4.290 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2CC)cc1 ZINC000009197806 556255813 /nfs/dbraw/zinc/25/58/13/556255813.db2.gz RSBJUKQHNFNIAH-NHCUHLMSSA-N 0 0 437.569 4.199 50 0 IIAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NC2CCCCC2)cc1 ZINC000009224586 556258641 /nfs/dbraw/zinc/25/86/41/556258641.db2.gz KIGGIDUKYTXCDQ-XMMPIXPASA-N 0 0 431.536 4.181 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000009234574 556263050 /nfs/dbraw/zinc/26/30/50/556263050.db2.gz PUCHHMANHKLALL-UHFFFAOYSA-N 0 0 428.554 4.142 50 0 IIAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009234332 556263167 /nfs/dbraw/zinc/26/31/67/556263167.db2.gz PZNDXQNWGOXMPX-MRXNPFEDSA-N 0 0 447.466 4.078 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000009236885 556264061 /nfs/dbraw/zinc/26/40/61/556264061.db2.gz SHJGRIIDEUPFLH-SJORKVTESA-N 0 0 449.458 4.012 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000009238625 556265037 /nfs/dbraw/zinc/26/50/37/556265037.db2.gz BDJPUZAJSRKLEX-MOPGFXCFSA-N 0 0 443.960 4.263 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000009238604 556265043 /nfs/dbraw/zinc/26/50/43/556265043.db2.gz RLKHYSXLLPIVRX-RBUKOAKNSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009238918 556265306 /nfs/dbraw/zinc/26/53/06/556265306.db2.gz PJNBBYIYULEOFC-ZWKOTPCHSA-N 0 0 429.933 4.036 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239318 556265735 /nfs/dbraw/zinc/26/57/35/556265735.db2.gz GVZPWOSTASBAGO-ZWKOTPCHSA-N 0 0 431.924 4.339 50 0 IIAARN O=C1N/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000009260497 556268371 /nfs/dbraw/zinc/26/83/71/556268371.db2.gz DGPIKMZCPPSQIF-XDHOZWIPSA-N 0 0 440.272 4.472 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(Cl)c1Cl ZINC000013686276 556276394 /nfs/dbraw/zinc/27/63/94/556276394.db2.gz XBEPRZAGICLQDZ-UHFFFAOYSA-N 0 0 432.307 4.447 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)s2)cc1OC ZINC000013689690 556278998 /nfs/dbraw/zinc/27/89/98/556278998.db2.gz IIXCXORYCVMESP-UHFFFAOYSA-N 0 0 437.565 4.094 50 0 IIAARN COc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000013690822 556280056 /nfs/dbraw/zinc/28/00/56/556280056.db2.gz SHXBPPXVQXMDGM-XMMPIXPASA-N 0 0 444.516 4.178 50 0 IIAARN COc1cc(-c2nc(CC(=O)Nc3ccc(C(C)=O)cc3)cs2)cc(OC)c1OC ZINC000013691299 556280599 /nfs/dbraw/zinc/28/05/99/556280599.db2.gz VGFOMRDXZBDBFW-UHFFFAOYSA-N 0 0 426.494 4.220 50 0 IIAARN COC(=O)[C@@H](CC(=O)c1ccc2ccccc2c1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013693707 556282922 /nfs/dbraw/zinc/28/29/22/556282922.db2.gz VQQPFCSMMHHWHK-FQEVSTJZSA-N 0 0 446.455 4.493 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccc(Cl)c(Cl)c1 ZINC000013693785 556283256 /nfs/dbraw/zinc/28/32/56/556283256.db2.gz FVEKMTAPMZLPCF-UHFFFAOYSA-N 0 0 446.334 4.125 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000009356392 556285065 /nfs/dbraw/zinc/28/50/65/556285065.db2.gz WBEHWWATEIXFQR-QFIPXVFZSA-N 0 0 426.476 4.162 50 0 IIAARN COc1ccc(CN(C)C(=O)c2cccc(C(=O)N(C)Cc3ccc(OC)cc3)c2)cc1 ZINC000009379650 556286825 /nfs/dbraw/zinc/28/68/25/556286825.db2.gz NVHKATHNRQKZIT-UHFFFAOYSA-N 0 0 432.520 4.248 50 0 biogenic IIAARN O=S(=O)(c1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000009409537 556287788 /nfs/dbraw/zinc/28/77/88/556287788.db2.gz VAFLYPDQRDWWMW-UHFFFAOYSA-N 0 0 425.988 4.036 50 0 IIAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000013721394 556290346 /nfs/dbraw/zinc/29/03/46/556290346.db2.gz DVZTVTLDTVGIIH-UHFFFAOYSA-N 0 0 444.490 4.212 50 0 IIAARN COc1ccc(CCc2nnc3sc(-c4ccccc4Br)nn23)cc1OC ZINC000013726925 556293540 /nfs/dbraw/zinc/29/35/40/556293540.db2.gz SMPLXIXTNUFUSV-UHFFFAOYSA-N 0 0 445.342 4.418 50 0 IIAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000009477878 556293650 /nfs/dbraw/zinc/29/36/50/556293650.db2.gz LOEYMNSBXPGLMI-LLVKDONJSA-N 0 0 428.851 4.140 50 0 IIAARN O=c1n2nc(-c3cccnc3)nc2c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000013728691 556294249 /nfs/dbraw/zinc/29/42/49/556294249.db2.gz QIBCENWQIYBFOJ-UHFFFAOYSA-N 0 0 431.496 4.234 50 0 IIAARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013750752 556299076 /nfs/dbraw/zinc/29/90/76/556299076.db2.gz XSMXKEKTMBQHRJ-UHFFFAOYSA-N 0 0 438.524 4.305 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000009581255 556300556 /nfs/dbraw/zinc/30/05/56/556300556.db2.gz OGHUOWGREYYPBM-CQSZACIVSA-N 0 0 427.913 4.464 50 0 IIAARN CCCCn1nnnc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000032741616 556303099 /nfs/dbraw/zinc/30/30/99/556303099.db2.gz ZZJHZMLFCGTKKB-UHFFFAOYSA-N 0 0 429.937 4.319 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661120 556304356 /nfs/dbraw/zinc/30/43/56/556304356.db2.gz ZBOKSXFREGFLSD-UHFFFAOYSA-N 0 0 429.871 4.215 50 0 IIAARN O=c1oc(-c2cccc(Br)c2)nc2ccc(I)cc12 ZINC000009720830 556307468 /nfs/dbraw/zinc/30/74/68/556307468.db2.gz SILBQGFTXLJEGU-UHFFFAOYSA-N 0 0 428.023 4.222 50 0 IIAARN O=C(CCSc1nnc(N2CCCCC2)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000032752764 556313520 /nfs/dbraw/zinc/31/35/20/556313520.db2.gz PYGWCBFXCQBLCX-UHFFFAOYSA-N 0 0 429.521 4.170 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000013814452 556313800 /nfs/dbraw/zinc/31/38/00/556313800.db2.gz FYEQJOPASNBIDX-WFASDCNBSA-N 0 0 443.953 4.309 50 0 IIAARN CSc1ncc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1-c1ccc(F)cc1 ZINC000032744995 556314382 /nfs/dbraw/zinc/31/43/82/556314382.db2.gz QMPIYXQPTJFXHQ-UHFFFAOYSA-N 0 0 438.528 4.224 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccc(F)c1)Nc1ccc(F)cc1 ZINC000009892304 556315216 /nfs/dbraw/zinc/31/52/16/556315216.db2.gz TXBMXNQNWQTQFM-NRFANRHFSA-N 0 0 435.430 4.331 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000009892332 556315699 /nfs/dbraw/zinc/31/56/99/556315699.db2.gz NGSABIPVYFCZBH-HXUWFJFHSA-N 0 0 435.505 4.123 50 0 IIAARN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000013843147 556318249 /nfs/dbraw/zinc/31/82/49/556318249.db2.gz QKZOAPSBXCRESO-CQSZACIVSA-N 0 0 429.611 4.433 50 0 IIAARN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 ZINC000032754605 556323773 /nfs/dbraw/zinc/32/37/73/556323773.db2.gz UDWYWXMIZTYZFK-UHFFFAOYSA-N 0 0 441.578 4.473 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 ZINC000013941782 556338693 /nfs/dbraw/zinc/33/86/93/556338693.db2.gz NQOGONOGCPVVPO-UHFFFAOYSA-N 0 0 444.940 4.144 50 0 IIAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1 ZINC000011024792 556338977 /nfs/dbraw/zinc/33/89/77/556338977.db2.gz KMCPWNNSWNSJGJ-HXUWFJFHSA-N 0 0 436.489 4.275 50 0 IIAARN CCOc1ccccc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000013942088 556339279 /nfs/dbraw/zinc/33/92/79/556339279.db2.gz OGPFURKEUKITIJ-UHFFFAOYSA-N 0 0 430.570 4.120 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)cc1Cl ZINC000013944418 556341612 /nfs/dbraw/zinc/34/16/12/556341612.db2.gz CTPIOIJDVKSANQ-AWEZNQCLSA-N 0 0 442.928 4.038 50 0 IIAARN COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nc5ccc(C)cc5s4)CC3=O)c2c1 ZINC000013944688 556341918 /nfs/dbraw/zinc/34/19/18/556341918.db2.gz CWIYEOQTKQGECR-INIZCTEOSA-N 0 0 448.548 4.124 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)cc1 ZINC000011650177 556342822 /nfs/dbraw/zinc/34/28/22/556342822.db2.gz RTDUKSNYIVGUNX-UHFFFAOYSA-N 0 0 448.342 4.471 50 0 IIAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000013946003 556343075 /nfs/dbraw/zinc/34/30/75/556343075.db2.gz OZBVQMUDFXVQDQ-UHFFFAOYSA-N 0 0 431.473 4.393 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000032781028 556346358 /nfs/dbraw/zinc/34/63/58/556346358.db2.gz FZXLKRAXJXEBBE-NRFANRHFSA-N 0 0 432.480 4.088 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(CSc2nnc(Cc3ccccc3)o2)s1 ZINC000032778354 556351315 /nfs/dbraw/zinc/35/13/15/556351315.db2.gz FROVWKULPKMUED-UHFFFAOYSA-N 0 0 427.486 4.196 50 0 IIAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(SCc2nc(-c3cccs3)no2)nc1 ZINC000032778884 556351717 /nfs/dbraw/zinc/35/17/17/556351717.db2.gz ITGPWNKKSLXLJP-UHFFFAOYSA-N 0 0 438.600 4.293 50 0 IIAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N(C)Cc3ccco3)c21 ZINC000011791222 556356113 /nfs/dbraw/zinc/35/61/13/556356113.db2.gz UUWXJZUUFPIWRN-UHFFFAOYSA-N 0 0 438.528 4.067 50 0 IIAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000011816556 556359069 /nfs/dbraw/zinc/35/90/69/556359069.db2.gz ADLLWCUWULNRHD-KRWDZBQOSA-N 0 0 445.878 4.263 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000014068858 556360363 /nfs/dbraw/zinc/36/03/63/556360363.db2.gz NEPZMAIFXRXFQD-UHFFFAOYSA-N 0 0 448.489 4.438 50 0 IIAARN CC(C)Cc1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000011819018 556361088 /nfs/dbraw/zinc/36/10/88/556361088.db2.gz KKYDDHTYRTXRNZ-SFHVURJKSA-N 0 0 429.008 4.322 50 0 IIAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3c(F)cccc3F)cc2)n1 ZINC000011843194 556366340 /nfs/dbraw/zinc/36/63/40/556366340.db2.gz JJMITIGNEPOPNM-OAQYLSRUSA-N 0 0 438.478 4.401 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C ZINC000014095466 556367246 /nfs/dbraw/zinc/36/72/46/556367246.db2.gz HFDUSVDJKUKTPP-CJNGLKHVSA-N 0 0 427.482 4.093 50 0 IIAARN Cn1cc(CCC(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000011873182 556369382 /nfs/dbraw/zinc/36/93/82/556369382.db2.gz CFEBLSHOXCQHCC-NRFANRHFSA-N 0 0 434.515 4.036 50 0 IIAARN COc1cc(C2=N/C(=C\C(Br)=C\c3ccccc3)C(=O)O2)cc(OC)c1OC ZINC000004507612 556371252 /nfs/dbraw/zinc/37/12/52/556371252.db2.gz RMTRAQHPMLMLRM-KXJDBRKXSA-N 0 0 444.281 4.336 50 0 IIAARN Cc1ccccc1-n1nnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000014117065 556371273 /nfs/dbraw/zinc/37/12/73/556371273.db2.gz QFZAMJSGSWLGNB-UHFFFAOYSA-N 0 0 429.505 4.198 50 0 IIAARN COc1cccc([C@H]2CCCCN2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011878575 556371382 /nfs/dbraw/zinc/37/13/82/556371382.db2.gz LTYVTWHDBJYBDF-LJQANCHMSA-N 0 0 439.512 4.498 50 0 IIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccco1 ZINC000014121249 556372291 /nfs/dbraw/zinc/37/22/91/556372291.db2.gz WNQUMPLHDNIOJJ-OAHLLOKOSA-N 0 0 444.940 4.171 50 0 IIAARN Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000014166517 556379749 /nfs/dbraw/zinc/37/97/49/556379749.db2.gz MICKCKSXQQPXRT-UHFFFAOYSA-N 0 0 435.760 4.038 50 0 IIAARN C[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccc(F)cc1F ZINC000014167583 556380142 /nfs/dbraw/zinc/38/01/42/556380142.db2.gz KOWPRBXYEKJHIO-LLVKDONJSA-N 0 0 431.489 4.342 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(-n3cncn3)cc1)CC2 ZINC000014170613 556381448 /nfs/dbraw/zinc/38/14/48/556381448.db2.gz DHHOLEBFZCMNNI-RUZDIDTESA-N 0 0 440.503 4.072 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)s2)cs1 ZINC000014180247 556382212 /nfs/dbraw/zinc/38/22/12/556382212.db2.gz USEATSYZYAGCRD-YOEHRIQHSA-N 0 0 425.579 4.406 50 0 IIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2cccc(Cl)c2Cl)C1=O ZINC000014182887 556383161 /nfs/dbraw/zinc/38/31/61/556383161.db2.gz KHWGGXQJHPURRL-OAQYLSRUSA-N 0 0 436.339 4.249 50 0 IIAARN C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2S1 ZINC000014183796 556383829 /nfs/dbraw/zinc/38/38/29/556383829.db2.gz UYDRXVFQXYSGAC-KRWDZBQOSA-N 0 0 430.595 4.392 50 0 IIAARN CN(CC(=O)Nc1ccccc1Oc1ccccc1Cl)S(=O)(=O)c1cccs1 ZINC000014184220 556384080 /nfs/dbraw/zinc/38/40/80/556384080.db2.gz KPDLDYJMRRAADG-UHFFFAOYSA-N 0 0 436.942 4.453 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000014184296 556384558 /nfs/dbraw/zinc/38/45/58/556384558.db2.gz IAMKXLMTLSXSDZ-HSZRJFAPSA-N 0 0 448.954 4.181 50 0 IIAARN C[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000014185160 556385252 /nfs/dbraw/zinc/38/52/52/556385252.db2.gz HZKIRUAIVPSXKK-HRFSGMKKSA-N 0 0 441.531 4.071 50 0 IIAARN CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc1 ZINC000011998708 556385284 /nfs/dbraw/zinc/38/52/84/556385284.db2.gz ULTQMFLYFGYHHW-FQEVSTJZSA-N 0 0 439.581 4.228 50 0 IIAARN COc1ccc([C@@H]2CCCN2Cn2nc(Cc3cccs3)n(C)c2=S)c(OC)c1 ZINC000014187208 556386349 /nfs/dbraw/zinc/38/63/49/556386349.db2.gz QAPSOKNQJZZQKX-SFHVURJKSA-N 0 0 430.599 4.415 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000014186532 556386381 /nfs/dbraw/zinc/38/63/81/556386381.db2.gz ZADSSDKUYJNFJQ-UHFFFAOYSA-N 0 0 431.920 4.075 50 0 IIAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)CCc1c(C)nc2ncnn2c1C ZINC000014187433 556386618 /nfs/dbraw/zinc/38/66/18/556386618.db2.gz XRKAJRHSTARIRY-UHFFFAOYSA-N 0 0 431.540 4.274 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000014188429 556386972 /nfs/dbraw/zinc/38/69/72/556386972.db2.gz AYBUYIKWZVHWRM-QGZVFWFLSA-N 0 0 442.002 4.085 50 0 IIAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COCc1ccccc1Cl ZINC000014189645 556387341 /nfs/dbraw/zinc/38/73/41/556387341.db2.gz VVJRBHHODAUENO-KRWDZBQOSA-N 0 0 426.925 4.356 50 0 IIAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1C ZINC000014189890 556387756 /nfs/dbraw/zinc/38/77/56/556387756.db2.gz VOROPYSDDIUKQN-JTQLQIEISA-N 0 0 428.539 4.067 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c1 ZINC000014197493 556389028 /nfs/dbraw/zinc/38/90/28/556389028.db2.gz ZLBHPICIMXMWFP-UHFFFAOYSA-N 0 0 429.538 4.124 50 0 IIAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)CCc2c(C)n[nH]c2C)C3)c1 ZINC000012037285 556390145 /nfs/dbraw/zinc/39/01/45/556390145.db2.gz LIJACXKNHRECBJ-FQEVSTJZSA-N 0 0 449.526 4.396 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1Cl ZINC000014200600 556391021 /nfs/dbraw/zinc/39/10/21/556391021.db2.gz LVLVBPKOFKUGGW-UHFFFAOYSA-N 0 0 433.888 4.138 50 0 IIAARN O=C(COc1ccc(Br)cc1Cl)NC(=S)NCCC1=CCCCC1 ZINC000012042588 556391422 /nfs/dbraw/zinc/39/14/22/556391422.db2.gz VXSCOHMEIXIEIJ-UHFFFAOYSA-N 0 0 431.783 4.363 50 0 IIAARN O=C(Nc1ccccc1I)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014200651 556391461 /nfs/dbraw/zinc/39/14/61/556391461.db2.gz KRIYYJAAQOBRCG-CQSZACIVSA-N 0 0 449.292 4.174 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F)c1ccc(F)cc1 ZINC000014202273 556392793 /nfs/dbraw/zinc/39/27/93/556392793.db2.gz TWLNWBBUCJVZBX-HSZRJFAPSA-N 0 0 433.458 4.104 50 0 IIAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 ZINC000012062128 556395502 /nfs/dbraw/zinc/39/55/02/556395502.db2.gz YGZHZEBIIDEJNR-HXUWFJFHSA-N 0 0 430.552 4.124 50 0 IIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CO)(CCCc2ccccc2)CC1 ZINC000012074350 556396750 /nfs/dbraw/zinc/39/67/50/556396750.db2.gz FRAFGCMSDRYNSN-UHFFFAOYSA-N 0 0 441.515 4.492 50 0 IIAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)s1 ZINC000012079619 556398698 /nfs/dbraw/zinc/39/86/98/556398698.db2.gz BLVOSABFFCZMIZ-KSSFIOAISA-N 0 0 441.528 4.251 50 0 IIAARN C[C@H]1Oc2ccc(NCc3nc(=O)c4c(-c5ccc(F)cc5)csc4[nH]3)cc2NC1=O ZINC000032814872 556400666 /nfs/dbraw/zinc/40/06/66/556400666.db2.gz YYUBZMLLGOKQEN-LLVKDONJSA-N 0 0 436.468 4.122 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1 ZINC000014241536 556402026 /nfs/dbraw/zinc/40/20/26/556402026.db2.gz HLBJASMIPULCHU-UHFFFAOYSA-N 0 0 428.941 4.091 50 0 IIAARN Cc1nc2ccc(C(=O)N3CCC[C@@H](CCC(=O)NCc4ccccc4F)C3)cc2nc1C ZINC000012090263 556402466 /nfs/dbraw/zinc/40/24/66/556402466.db2.gz WMOOVKMEVATLTD-IBGZPJMESA-N 0 0 448.542 4.335 50 0 IIAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CC=C(c3ccccc3)CC1)C2)c1ccco1 ZINC000012190876 556402758 /nfs/dbraw/zinc/40/27/58/556402758.db2.gz UYODOQZISFFDIA-KRWDZBQOSA-N 0 0 447.516 4.049 50 0 IIAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3cccc4c3OCO4)cc2)n1 ZINC000012203757 556403077 /nfs/dbraw/zinc/40/30/77/556403077.db2.gz BFPBSLVAUHNDJT-QFIPXVFZSA-N 0 0 432.524 4.211 50 0 IIAARN CS(=O)(=O)c1sc(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)c2c1C=CCC2 ZINC000012367101 556403652 /nfs/dbraw/zinc/40/36/52/556403652.db2.gz XXEIBQPIWDTDKW-UHFFFAOYSA-N 0 0 444.456 4.092 50 0 IIAARN COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc(OC)c1OC ZINC000012429846 556404375 /nfs/dbraw/zinc/40/43/75/556404375.db2.gz WJTOQUDAUQYPRC-LJQANCHMSA-N 0 0 435.524 4.342 50 0 IIAARN COc1cc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc(OC)c1 ZINC000032578555 556405235 /nfs/dbraw/zinc/40/52/35/556405235.db2.gz QKNGIQHTMOSISS-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CN(Cc1nc2ccccc2s1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000014245755 556405488 /nfs/dbraw/zinc/40/54/88/556405488.db2.gz FFCITAXLCFAQFR-DEOSSOPVSA-N 0 0 430.533 4.306 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000014245840 556405754 /nfs/dbraw/zinc/40/57/54/556405754.db2.gz DNPQXMABJWYECC-UHFFFAOYSA-N 0 0 425.488 4.141 50 0 IIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000014246276 556406259 /nfs/dbraw/zinc/40/62/59/556406259.db2.gz DXQMBCRPUCIIKB-IBGZPJMESA-N 0 0 433.533 4.426 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000014249868 556408303 /nfs/dbraw/zinc/40/83/03/556408303.db2.gz RAJXLNFMVFMCAV-UHFFFAOYSA-N 0 0 432.448 4.051 50 0 IIAARN Cc1c(-c2ccccc2)sc2ncn([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c(=O)c12 ZINC000014253434 556409886 /nfs/dbraw/zinc/40/98/86/556409886.db2.gz QDBOGOSTZREZIH-AWEZNQCLSA-N 0 0 433.489 4.362 50 0 IIAARN Cc1ccccc1OC(=O)c1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ncc1Cl ZINC000032623421 556410444 /nfs/dbraw/zinc/41/04/44/556410444.db2.gz TVTYEPZYFIVMTH-UHFFFAOYSA-N 0 0 437.304 4.285 50 0 IIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000032828830 556413250 /nfs/dbraw/zinc/41/32/50/556413250.db2.gz LEOCLZOJSJOPSQ-UHFFFAOYSA-N 0 0 446.482 4.339 50 0 IIAARN O=C(c1cc2c(s1)CCCCCC2)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000014421851 556415639 /nfs/dbraw/zinc/41/56/39/556415639.db2.gz PBHHBFAKJRRUTE-UHFFFAOYSA-N 0 0 442.610 4.477 50 0 IIAARN COC(=O)c1ccc(CN(C)C(=O)c2c3c(sc2-n2cccc2)CSCC3)cc1 ZINC000012938330 556416524 /nfs/dbraw/zinc/41/65/24/556416524.db2.gz PBFXFBICSDUPAM-UHFFFAOYSA-N 0 0 426.563 4.387 50 0 IIAARN CCOc1cc(CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C2CC2)ccc1OC(F)F ZINC000032836938 556418447 /nfs/dbraw/zinc/41/84/47/556418447.db2.gz AHWPKDJJAYKVKD-UHFFFAOYSA-N 0 0 430.451 4.376 50 0 IIAARN CCOC(=O)Cc1csc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000012979975 556423846 /nfs/dbraw/zinc/42/38/46/556423846.db2.gz WPPOUBYUPLFWHK-FQEVSTJZSA-N 0 0 426.563 4.399 50 0 IIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012980153 556423934 /nfs/dbraw/zinc/42/39/34/556423934.db2.gz SKWZNMPTSUSJMI-UHFFFAOYSA-N 0 0 429.927 4.071 50 0 IIAARN COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@H]1CCCO1 ZINC000014539926 556425247 /nfs/dbraw/zinc/42/52/47/556425247.db2.gz FEXFMQWUKZOEIS-GOSISDBHSA-N 0 0 428.533 4.095 50 0 IIAARN COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc(Cl)c1OC ZINC000012986426 556427083 /nfs/dbraw/zinc/42/70/83/556427083.db2.gz QOWWDMLQTUNMQP-UHFFFAOYSA-N 0 0 433.917 4.056 50 0 IIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000032841750 556427327 /nfs/dbraw/zinc/42/73/27/556427327.db2.gz FIHTWRRHQZNVMC-GOSISDBHSA-N 0 0 448.493 4.175 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCc4ccccc43)CC2)c1 ZINC000032843051 556428200 /nfs/dbraw/zinc/42/82/00/556428200.db2.gz CZFYJHDYBVHTLV-BJKOFHAPSA-N 0 0 431.580 4.039 50 0 IIAARN Cc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1C ZINC000012994220 556430007 /nfs/dbraw/zinc/43/00/07/556430007.db2.gz ZMMQPYJFGPWRLT-HHHXNRCGSA-N 0 0 439.515 4.421 50 0 IIAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012996372 556431327 /nfs/dbraw/zinc/43/13/27/556431327.db2.gz YBDRNXVPBVSZJT-UHFFFAOYSA-N 0 0 436.364 4.371 50 0 IIAARN CN(Cc1ccsc1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000012997478 556431883 /nfs/dbraw/zinc/43/18/83/556431883.db2.gz PNKMZQDPUMAWFO-UHFFFAOYSA-N 0 0 425.167 4.094 50 0 IIAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2NC1=O ZINC000012998391 556432341 /nfs/dbraw/zinc/43/23/41/556432341.db2.gz YRZUXCHXNYCZAF-INIZCTEOSA-N 0 0 445.544 4.344 50 0 IIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1C ZINC000013013630 556436697 /nfs/dbraw/zinc/43/66/97/556436697.db2.gz MEPYCIYIJAGBGU-UHFFFAOYSA-N 0 0 435.499 4.099 50 0 IIAARN 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CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)c1cccc(OC)c1 ZINC000032927252 556656026 /nfs/dbraw/zinc/65/60/26/556656026.db2.gz IUGUHKOOPLNGNY-OAHLLOKOSA-N 0 0 426.376 4.315 50 0 IIAARN O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)Nc1nc2ccccc2s1 ZINC000011794328 556656276 /nfs/dbraw/zinc/65/62/76/556656276.db2.gz QWYRNBQYRFLZSB-UHFFFAOYSA-N 0 0 439.522 4.443 50 0 IIAARN COc1ccc(CCN2C(=S)N=NC2[C@H](C)Oc2ccc3c(c2)CCC3)cc1OC ZINC000017094528 556657615 /nfs/dbraw/zinc/65/76/15/556657615.db2.gz PGJZEDCIVPDVPS-HNNXBMFYSA-N 0 0 425.554 4.455 50 0 IIAARN CCCCN(CCCC)C(=S)S[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000100735224 556658791 /nfs/dbraw/zinc/65/87/91/556658791.db2.gz YJMNJFMSECAFQW-GOSISDBHSA-N 0 0 438.615 4.256 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000033011682 556659636 /nfs/dbraw/zinc/65/96/36/556659636.db2.gz VLEBXEQTKBQLRD-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN CCc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C[C@H]2CCCO2)cs1 ZINC000017096109 556659723 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/nfs/dbraw/zinc/66/85/67/556668567.db2.gz JDDHNYFDAPVPJU-UHFFFAOYSA-N 0 0 433.524 4.181 50 0 IIAARN CCCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)cc1 ZINC000011916379 556673342 /nfs/dbraw/zinc/67/33/42/556673342.db2.gz VFSRMRQGLABDAE-DEOSSOPVSA-N 0 0 435.524 4.461 50 0 IIAARN COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000011914339 556673833 /nfs/dbraw/zinc/67/38/33/556673833.db2.gz UARLMKBPXMWTFB-LLVKDONJSA-N 0 0 434.315 4.382 50 0 IIAARN COc1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2Br)cc1 ZINC000100798955 556675299 /nfs/dbraw/zinc/67/52/99/556675299.db2.gz UUHRGKOSPPZLAJ-SFHVURJKSA-N 0 0 438.661 4.060 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100799127 556675430 /nfs/dbraw/zinc/67/54/30/556675430.db2.gz OJWSVBCPLATMAB-BDTNDASRSA-N 0 0 434.879 4.400 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(Cl)c(-n3cnc4cccnc43)c2)cc1OC ZINC000032932099 556676941 /nfs/dbraw/zinc/67/69/41/556676941.db2.gz KZGSVJRTQRRPSM-UHFFFAOYSA-N 0 0 436.899 4.064 50 0 IIAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)COc4ccccc4Cl)n3)cc2N(C)C1=O ZINC000011970164 556677767 /nfs/dbraw/zinc/67/77/67/556677767.db2.gz DEZAGTGTUCXPHR-LBPRGKRZSA-N 0 0 443.912 4.225 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(Cl)c(Br)[nH]1 ZINC000032935365 556677912 /nfs/dbraw/zinc/67/79/12/556677912.db2.gz HYGPKMPBUCTXEO-UHFFFAOYSA-N 0 0 439.524 4.448 50 0 IIAARN Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000011972052 556678079 /nfs/dbraw/zinc/67/80/79/556678079.db2.gz ZQYOJAHTSIOGKZ-UHFFFAOYSA-N 0 0 429.885 4.120 50 0 IIAARN O=C(CCS(=O)(=O)Cc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010621622 556682506 /nfs/dbraw/zinc/68/25/06/556682506.db2.gz XEACIPZTNOUKNH-UHFFFAOYSA-N 0 0 440.546 4.428 50 0 IIAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)O1 ZINC000247946446 556686518 /nfs/dbraw/zinc/68/65/18/556686518.db2.gz IJKHXNLCHZCOFH-JXFKEZNVSA-N 0 0 425.912 4.471 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000072313060 556688128 /nfs/dbraw/zinc/68/81/28/556688128.db2.gz RMLLUUJOVSQEMH-HSZRJFAPSA-N 0 0 438.549 4.367 50 0 IIAARN c1coc([C@@H]2CN(c3nnc(COCc4ccccc4)n3Cc3ccccc3)CCO2)c1 ZINC000252490582 556690517 /nfs/dbraw/zinc/69/05/17/556690517.db2.gz KXGNSEIFWYAESW-QHCPKHFHSA-N 0 0 430.508 4.214 50 0 IIAARN COc1cccc(CNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)c1 ZINC000046006606 556690597 /nfs/dbraw/zinc/69/05/97/556690597.db2.gz DWJZRTRSUIGCBA-UHFFFAOYSA-N 0 0 444.535 4.304 50 0 IIAARN O=c1c2ccc(Cl)cc2nc(SCC[S@@](=O)c2ccccc2)n1C[C@H]1CCCO1 ZINC000032937847 556690849 /nfs/dbraw/zinc/69/08/49/556690849.db2.gz KAEHLBQUOAAILJ-BCOMRZATSA-N 0 0 448.997 4.129 50 0 IIAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)c1c(F)cccc1Cl ZINC000010646492 556691086 /nfs/dbraw/zinc/69/10/86/556691086.db2.gz GJNFMQMFDKXXIE-UHFFFAOYSA-N 0 0 427.881 4.384 50 0 IIAARN O=C1CS(=O)(=O)[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 ZINC000000763023 556692488 /nfs/dbraw/zinc/69/24/88/556692488.db2.gz MVSGLGHALLSFQP-OAHLLOKOSA-N 0 0 435.126 4.216 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000000781876 556693873 /nfs/dbraw/zinc/69/38/73/556693873.db2.gz YTMGFGDNIFDFJG-KOSHJBKYSA-N 0 0 430.504 4.216 50 0 IIAARN COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000033023736 556693824 /nfs/dbraw/zinc/69/38/24/556693824.db2.gz LYMMTNWGGCEBRG-QGZVFWFLSA-N 0 0 440.521 4.044 50 0 IIAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccccc3)nc12 ZINC000033026049 556702280 /nfs/dbraw/zinc/70/22/80/556702280.db2.gz FAPGQLLGYWEQKQ-UHFFFAOYSA-N 0 0 431.517 4.313 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)n3ncc(-c4ccc5c(c4)OCO5)c3N)cc12 ZINC000072314622 556703187 /nfs/dbraw/zinc/70/31/87/556703187.db2.gz ZCBSNRXEPQPUAM-UHFFFAOYSA-N 0 0 443.488 4.258 50 0 IIAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc2cccc(OC)c2o1 ZINC000013693028 556711967 /nfs/dbraw/zinc/71/19/67/556711967.db2.gz JYKLXGKUTQDFNZ-UHFFFAOYSA-N 0 0 438.436 4.369 50 0 IIAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3ccccc3C(N)=O)cc1)c2=O ZINC000013719587 556717986 /nfs/dbraw/zinc/71/79/86/556717986.db2.gz FRAOCRKPEKSEQO-UHFFFAOYSA-N 0 0 444.443 4.254 50 0 IIAARN CC(C)c1cc2c(nc(CSCC(=O)Nc3nnc(C4CCC4)s3)[nH]c2=O)s1 ZINC000061719643 556725916 /nfs/dbraw/zinc/72/59/16/556725916.db2.gz CGLXXHYUIRTMGQ-UHFFFAOYSA-N 0 0 435.600 4.099 50 0 IIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nnc(C4CCC4)s3)c3ccccc3C(=O)N2C)cc1 ZINC000061720866 556727510 /nfs/dbraw/zinc/72/75/10/556727510.db2.gz VHHVYHPRQBNETH-VQTJNVASSA-N 0 0 448.548 4.363 50 0 IIAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 ZINC000011141262 556728335 /nfs/dbraw/zinc/72/83/35/556728335.db2.gz AGQPLUAVIAUZKQ-MRXNPFEDSA-N 0 0 425.916 4.021 50 0 IIAARN O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1Cl ZINC000060357739 556731675 /nfs/dbraw/zinc/73/16/75/556731675.db2.gz SGEKWUVZBRSGHE-UHFFFAOYSA-N 0 0 429.851 4.066 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@](C)(O)C2CCCC2)c(OC)c1 ZINC000078947343 556736892 /nfs/dbraw/zinc/73/68/92/556736892.db2.gz VAZXCKSLBVRRKK-SANMLTNESA-N 0 0 449.551 4.228 50 0 IIAARN COc1ccc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1-n1nnnc1C ZINC000060365437 556747583 /nfs/dbraw/zinc/74/75/83/556747583.db2.gz QVDZQKSKCISCIM-UHFFFAOYSA-N 0 0 434.525 4.280 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000072333025 556749349 /nfs/dbraw/zinc/74/93/49/556749349.db2.gz QYSSDIQUNGMVAD-MRXNPFEDSA-N 0 0 431.279 4.388 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nc(SC)sc3c1)C[C@H]2O ZINC000057997456 556752172 /nfs/dbraw/zinc/75/21/72/556752172.db2.gz WFNXOIIMHMBAHO-CQSZACIVSA-N 0 0 431.539 4.117 50 0 IIAARN CC(C)n1ncc2cc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cnc21 ZINC000058023431 556754578 /nfs/dbraw/zinc/75/45/78/556754578.db2.gz IFXUSTCIQOQQFU-UHFFFAOYSA-N 0 0 434.331 4.068 50 0 IIAARN O=c1ccc2cc(S(=O)(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)ccc2o1 ZINC000058139689 556761167 /nfs/dbraw/zinc/76/11/67/556761167.db2.gz CCYPNECKRWKGNF-UHFFFAOYSA-N 0 0 442.880 4.221 50 0 IIAARN O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000058142496 556761358 /nfs/dbraw/zinc/76/13/58/556761358.db2.gz DMBPFOVSEWPSCJ-UHFFFAOYSA-N 0 0 433.430 4.124 50 0 IIAARN CCCCN(CCCC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1CCCOC ZINC000005270757 556762060 /nfs/dbraw/zinc/76/20/60/556762060.db2.gz UGRFBYVIIAIHNF-UHFFFAOYSA-N 0 0 426.561 4.037 50 0 IIAARN COCCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 ZINC000062001553 556764420 /nfs/dbraw/zinc/76/44/20/556764420.db2.gz HCCNCGZJCCWPDO-UHFFFAOYSA-N 0 0 427.541 4.215 50 0 biogenic IIAARN Oc1ccc(N2CCN(Cn3nc(-c4ccco4)n(Cc4ccccc4)c3=S)CC2)cc1 ZINC000058162337 556765991 /nfs/dbraw/zinc/76/59/91/556765991.db2.gz KAVIPVJJRHWNBV-UHFFFAOYSA-N 0 0 447.564 4.208 50 0 IIAARN CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccccc2)n1 ZINC000061997042 556767315 /nfs/dbraw/zinc/76/73/15/556767315.db2.gz TUFHDZBVPGUKSP-HNNXBMFYSA-N 0 0 439.006 4.122 50 0 IIAARN COc1cc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c(OC)c1 ZINC000058201509 556771071 /nfs/dbraw/zinc/77/10/71/556771071.db2.gz PHPOFGGKTSVLEO-UHFFFAOYSA-N 0 0 436.295 4.203 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000058315670 556780300 /nfs/dbraw/zinc/78/03/00/556780300.db2.gz SZOZVHXSLCCRHV-VGOFRKELSA-N 0 0 436.581 4.099 50 0 IIAARN Cc1nc2ccc(C(=O)N[C@H](C)c3cc4c(cc3Br)OCCO4)cc2nc1C ZINC000058382145 556784530 /nfs/dbraw/zinc/78/45/30/556784530.db2.gz GSZGUAUDAFAPKS-CYBMUJFWSA-N 0 0 442.313 4.271 50 0 IIAARN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000059301428 556797436 /nfs/dbraw/zinc/79/74/36/556797436.db2.gz HUXYUGNRSGYMEY-CVDCTZTESA-N 0 0 442.494 4.086 50 0 IIAARN Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nn2)n1 ZINC000062164483 556798052 /nfs/dbraw/zinc/79/80/52/556798052.db2.gz DVQYAPOZRGAFPB-HNNXBMFYSA-N 0 0 445.354 4.441 50 0 IIAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 ZINC000059357766 556798545 /nfs/dbraw/zinc/79/85/45/556798545.db2.gz RKNJFFVHHOXWJC-MRXNPFEDSA-N 0 0 441.503 4.071 50 0 IIAARN COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)s1 ZINC000072400670 556798563 /nfs/dbraw/zinc/79/85/63/556798563.db2.gz ITONORBASIGEKT-LJQANCHMSA-N 0 0 440.569 4.118 50 0 IIAARN COc1ccc([C@@H](O)CNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)cc1 ZINC000059386740 556799290 /nfs/dbraw/zinc/79/92/90/556799290.db2.gz IVJNNTIQQFKVSU-KRWDZBQOSA-N 0 0 440.714 4.347 50 0 IIAARN Cc1cc(C)c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1 ZINC000002620395 556800507 /nfs/dbraw/zinc/80/05/07/556800507.db2.gz RVSPRXJRQBGDEU-UHFFFAOYSA-N 0 0 427.504 4.046 50 0 IIAARN CCCCNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)s1 ZINC000003227224 556805767 /nfs/dbraw/zinc/80/57/67/556805767.db2.gz HCXSNHXHGAHYTD-UHFFFAOYSA-N 0 0 440.616 4.208 50 0 IIAARN CN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000003256641 556807153 /nfs/dbraw/zinc/80/71/53/556807153.db2.gz NGPVVIVYYNIRTO-UHFFFAOYSA-N 0 0 444.940 4.207 50 0 IIAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003263929 556807399 /nfs/dbraw/zinc/80/73/99/556807399.db2.gz ZLYTWVTXXURQQE-UHFFFAOYSA-N 0 0 436.336 4.215 50 0 IIAARN CCn1c2ccc(F)cc2nc1CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000060375421 556807923 /nfs/dbraw/zinc/80/79/23/556807923.db2.gz KELVNPODFVYNQE-UHFFFAOYSA-N 0 0 434.437 4.172 50 0 IIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003279762 556808082 /nfs/dbraw/zinc/80/80/82/556808082.db2.gz FSCQIGCBSUKERR-UHFFFAOYSA-N 0 0 428.469 4.416 50 0 IIAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003318149 556809991 /nfs/dbraw/zinc/80/99/91/556809991.db2.gz GPHDGYJRRFUIGS-QHCPKHFHSA-N 0 0 432.545 4.245 50 0 IIAARN CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000061719371 556811234 /nfs/dbraw/zinc/81/12/34/556811234.db2.gz PPBBRVGEEWHYRK-UHFFFAOYSA-N 0 0 433.577 4.114 50 0 IIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000003341190 556812972 /nfs/dbraw/zinc/81/29/72/556812972.db2.gz JFSXMANCTMBMHA-FQEVSTJZSA-N 0 0 428.488 4.040 50 0 IIAARN CCOc1ccc(C(C)=O)cc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003345621 556813306 /nfs/dbraw/zinc/81/33/06/556813306.db2.gz LABNREFFDWSYQT-UHFFFAOYSA-N 0 0 428.488 4.284 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000003442523 556815768 /nfs/dbraw/zinc/81/57/68/556815768.db2.gz VTCXYVOJRYKUOX-UHFFFAOYSA-N 0 0 441.491 4.442 50 0 IIAARN CC(C)Oc1ccc(CNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033060378 556816822 /nfs/dbraw/zinc/81/68/22/556816822.db2.gz CEZPAKAROAUXED-UHFFFAOYSA-N 0 0 430.917 4.161 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003549909 556817426 /nfs/dbraw/zinc/81/74/26/556817426.db2.gz YMZPLDPMSCCQEN-UHFFFAOYSA-N 0 0 443.352 4.429 50 0 IIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033068250 556821559 /nfs/dbraw/zinc/82/15/59/556821559.db2.gz XYYKETWZDDGGRE-MRXNPFEDSA-N 0 0 449.894 4.333 50 0 IIAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 ZINC000033068334 556822042 /nfs/dbraw/zinc/82/20/42/556822042.db2.gz TWYOEKIKXAHOJV-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)[nH]n2)c1 ZINC000206635766 556822989 /nfs/dbraw/zinc/82/29/89/556822989.db2.gz DYIKDEWWRAMFEQ-HNNXBMFYSA-N 0 0 435.509 4.217 50 0 IIAARN CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064661900 556825765 /nfs/dbraw/zinc/82/57/65/556825765.db2.gz IXRMMRIDFSQXCF-HSZRJFAPSA-N 0 0 427.545 4.419 50 0 IIAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O)Nc1ccc(F)cc1F ZINC000064667914 556826517 /nfs/dbraw/zinc/82/65/17/556826517.db2.gz RTCPKHNOXJWBCM-UHFFFAOYSA-N 0 0 448.404 4.372 50 0 IIAARN O=C(NCc1cccnc1)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002323 556830714 /nfs/dbraw/zinc/83/07/14/556830714.db2.gz NOJWVXHDVBTJQD-UHFFFAOYSA-N 0 0 441.510 4.026 50 0 IIAARN Cc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000065002744 556831052 /nfs/dbraw/zinc/83/10/52/556831052.db2.gz KNXILZCUVGQQPK-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN C[C@H]1Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000065003543 556831474 /nfs/dbraw/zinc/83/14/74/556831474.db2.gz RAANEXRSAPCUCB-INIZCTEOSA-N 0 0 440.952 4.410 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000065003186 556831484 /nfs/dbraw/zinc/83/14/84/556831484.db2.gz CVEACDKWWSQBJW-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)Oc1ccc(F)cc1Cl ZINC000019635047 556834708 /nfs/dbraw/zinc/83/47/08/556834708.db2.gz DDVSHFSUZHTFAB-SNVBAGLBSA-N 0 0 441.941 4.418 50 0 IIAARN Cc1sc2nc(SCc3ccccc3C)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000019639160 556836627 /nfs/dbraw/zinc/83/66/27/556836627.db2.gz OGZWTWIDFCTHOK-UHFFFAOYSA-N 0 0 443.638 4.398 50 0 IIAARN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000019641601 556837431 /nfs/dbraw/zinc/83/74/31/556837431.db2.gz QQADGJFCHBHDTA-UHFFFAOYSA-N 0 0 444.582 4.322 50 0 IIAARN CCOc1cc(-c2nc(CSc3nnc(N)s3)cs2)cc(Br)c1O ZINC000019643117 556838101 /nfs/dbraw/zinc/83/81/01/556838101.db2.gz WULREBKWQDBTKS-UHFFFAOYSA-N 0 0 445.389 4.403 50 0 IIAARN O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000022997418 556839470 /nfs/dbraw/zinc/83/94/70/556839470.db2.gz ZCAJMDFWIVMTCU-UHFFFAOYSA-N 0 0 445.972 4.084 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000019676482 556841638 /nfs/dbraw/zinc/84/16/38/556841638.db2.gz OBPYMIWGLJGTSY-HHHXNRCGSA-N 0 0 439.515 4.421 50 0 IIAARN Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCc4cccc(Br)c4)C3)nc2c1 ZINC000033072222 556851868 /nfs/dbraw/zinc/85/18/68/556851868.db2.gz PAGXADYPOIFJDX-INIZCTEOSA-N 0 0 427.346 4.167 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cc(OC)ccc3OC)C2)s1 ZINC000033078305 556853309 /nfs/dbraw/zinc/85/33/09/556853309.db2.gz BSTVWUVCEPJTTE-CQSZACIVSA-N 0 0 426.542 4.126 50 0 IIAARN O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033078818 556853994 /nfs/dbraw/zinc/85/39/94/556853994.db2.gz OCQWQQSITLUNFE-UHFFFAOYSA-N 0 0 433.483 4.098 50 0 IIAARN CCc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087830 556855467 /nfs/dbraw/zinc/85/54/67/556855467.db2.gz RMSYLFUSUFUYGT-UHFFFAOYSA-N 0 0 443.594 4.087 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)s1 ZINC000033113032 556859721 /nfs/dbraw/zinc/85/97/21/556859721.db2.gz UWUWERYWHRXBBR-INIZCTEOSA-N 0 0 439.516 4.019 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113468 556860222 /nfs/dbraw/zinc/86/02/22/556860222.db2.gz SAKQURCNTOQVID-HNNXBMFYSA-N 0 0 437.525 4.211 50 0 IIAARN COc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4C)s3)CC2)c1 ZINC000033113997 556860758 /nfs/dbraw/zinc/86/07/58/556860758.db2.gz MLBSZFLJISOWFB-UHFFFAOYSA-N 0 0 436.537 4.127 50 0 IIAARN COc1cccc(CNC(=O)[C@H]2COc3ccc(NC(=O)Nc4ccccc4)cc3C2)c1 ZINC000033121659 556862804 /nfs/dbraw/zinc/86/28/04/556862804.db2.gz GWMFUCPDCJLUGP-LJQANCHMSA-N 0 0 431.492 4.207 50 0 IIAARN COc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033122850 556863565 /nfs/dbraw/zinc/86/35/65/556863565.db2.gz KGVSMSPYOZAAPJ-UHFFFAOYSA-N 0 0 435.505 4.445 50 0 IIAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccc(F)cc3)ccc2=O)cc1Cl ZINC000033128204 556865325 /nfs/dbraw/zinc/86/53/25/556865325.db2.gz ZPTFYVSYGJTYFT-CQSZACIVSA-N 0 0 431.920 4.130 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000033130156 556870100 /nfs/dbraw/zinc/87/01/00/556870100.db2.gz WWMXDMPDARBDTH-UHFFFAOYSA-N 0 0 427.448 4.452 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(SC)cc2)c1 ZINC000033131406 556871864 /nfs/dbraw/zinc/87/18/64/556871864.db2.gz ATLHVZYAURHEGQ-UHFFFAOYSA-N 0 0 426.991 4.022 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1 ZINC000033141957 556877379 /nfs/dbraw/zinc/87/73/79/556877379.db2.gz MHBCDVFMJNEYLT-UHFFFAOYSA-N 0 0 446.507 4.301 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000033141777 556878299 /nfs/dbraw/zinc/87/82/99/556878299.db2.gz NXHDMSQSMQKJRY-OAHLLOKOSA-N 0 0 430.551 4.073 50 0 IIAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1NC(=O)C1CC1 ZINC000033171091 556882099 /nfs/dbraw/zinc/88/20/99/556882099.db2.gz LYSIHHOEDGYGIE-JYRVWZFOSA-N 0 0 429.542 4.067 50 0 IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(F)c(F)c3)c2cc1OC ZINC000033172785 556883043 /nfs/dbraw/zinc/88/30/43/556883043.db2.gz RJBAXAZGPXTXPD-UHFFFAOYSA-N 0 0 430.436 4.137 50 0 IIAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O)Nc1ccccc1C(F)(F)F ZINC000033174457 556884179 /nfs/dbraw/zinc/88/41/79/556884179.db2.gz KTCIUCPGPYDJNH-UHFFFAOYSA-N 0 0 448.401 4.317 50 0 IIAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(Cl)c2)c1N ZINC000033169942 556885207 /nfs/dbraw/zinc/88/52/07/556885207.db2.gz NOZZIEKOWPQRDM-UHFFFAOYSA-N 0 0 440.866 4.225 50 0 IIAARN CCCCOc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc1 ZINC000033170405 556885677 /nfs/dbraw/zinc/88/56/77/556885677.db2.gz JGTCSCXUUUBXCN-UHFFFAOYSA-N 0 0 442.519 4.104 50 0 IIAARN C[C@H]1CCCN(c2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc32)C1 ZINC000033175214 556886572 /nfs/dbraw/zinc/88/65/72/556886572.db2.gz HSIQTRDFECPAGA-HNNXBMFYSA-N 0 0 444.457 4.290 50 0 IIAARN CCc1cc(Sc2ccccc2NC(=O)c2ccc(OC)c(OC)c2)n2ncnc2n1 ZINC000033257070 556895546 /nfs/dbraw/zinc/89/55/46/556895546.db2.gz MBYBFQZYYOEOIQ-UHFFFAOYSA-N 0 0 435.509 4.107 50 0 IIAARN CCc1cc(Sc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n2nc(C)nc2n1 ZINC000033257091 556895741 /nfs/dbraw/zinc/89/57/41/556895741.db2.gz FCBPUEVVYJZTGV-UHFFFAOYSA-N 0 0 449.536 4.416 50 0 IIAARN CCn1c(=O)c(SCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)nc2ccccc21 ZINC000033259809 556899073 /nfs/dbraw/zinc/89/90/73/556899073.db2.gz ZQZZIWDRYVKBJS-UHFFFAOYSA-N 0 0 440.956 4.002 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000019799390 556916930 /nfs/dbraw/zinc/91/69/30/556916930.db2.gz OQAYNCOCSAIHFN-OAQYLSRUSA-N 0 0 449.894 4.345 50 0 IIAARN CCOc1ccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000019800023 556917211 /nfs/dbraw/zinc/91/72/11/556917211.db2.gz XKLDNIHJGAXTMB-AWEZNQCLSA-N 0 0 436.748 4.091 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817421 556920159 /nfs/dbraw/zinc/92/01/59/556920159.db2.gz ASKWJDPAEJIFEM-QFIPXVFZSA-N 0 0 445.523 4.244 50 0 IIAARN CCOC(=O)c1ccc(-n2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 ZINC000019821325 556924448 /nfs/dbraw/zinc/92/44/48/556924448.db2.gz VBDXUXJAHBQFME-UHFFFAOYSA-N 0 0 442.450 4.325 50 0 IIAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000019831810 556927040 /nfs/dbraw/zinc/92/70/40/556927040.db2.gz AOTYMFFYYDAVHA-SFHVURJKSA-N 0 0 437.367 4.148 50 0 IIAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000019850970 556930647 /nfs/dbraw/zinc/93/06/47/556930647.db2.gz HEEQDXQPMRCTLD-UHFFFAOYSA-N 0 0 430.335 4.271 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860371 556932668 /nfs/dbraw/zinc/93/26/68/556932668.db2.gz JAZZDHJDQFMLBP-IBGZPJMESA-N 0 0 434.989 4.391 50 0 IIAARN O=C(NCCCn1c2ncccc2nc1C(F)(F)F)Nc1cccc(Br)c1 ZINC000033263833 556933230 /nfs/dbraw/zinc/93/32/30/556933230.db2.gz BUEPXPVPUKAROG-UHFFFAOYSA-N 0 0 442.239 4.424 50 0 IIAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019882236 556937246 /nfs/dbraw/zinc/93/72/46/556937246.db2.gz BFMGNVKBDJWHAI-XMMPIXPASA-N 0 0 446.547 4.184 50 0 IIAARN CCOc1ccc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)sc2c1 ZINC000019899303 556941437 /nfs/dbraw/zinc/94/14/37/556941437.db2.gz DLRSDQRMOXBEJA-UHFFFAOYSA-N 0 0 427.595 4.132 50 0 IIAARN O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962106 556955545 /nfs/dbraw/zinc/95/55/45/556955545.db2.gz VDXYJNLUSSIZCG-FQEVSTJZSA-N 0 0 431.883 4.201 50 0 IIAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000019962100 556955634 /nfs/dbraw/zinc/95/56/34/556955634.db2.gz MWICLNJTZDKZFY-JOCHJYFZSA-N 0 0 425.492 4.110 50 0 IIAARN CC(C)CNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3 ZINC000020029617 556968482 /nfs/dbraw/zinc/96/84/82/556968482.db2.gz HJSKRGFPHFNWMG-UHFFFAOYSA-N 0 0 444.630 4.107 50 0 IIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nn2)nc1 ZINC000072434189 556972334 /nfs/dbraw/zinc/97/23/34/556972334.db2.gz SJNDHTWCQYJBPT-UHFFFAOYSA-N 0 0 441.898 4.070 50 0 IIAARN O=C(NCc1ccccc1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033266515 556976909 /nfs/dbraw/zinc/97/69/09/556976909.db2.gz PTCDOESQUWIDOD-UHFFFAOYSA-N 0 0 429.499 4.068 50 0 IIAARN O=C(Nc1ccccc1F)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000020068988 556978430 /nfs/dbraw/zinc/97/84/30/556978430.db2.gz NQGSSDUEKARVJQ-UXHICEINSA-N 0 0 431.496 4.482 50 0 IIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000020100644 556979966 /nfs/dbraw/zinc/97/99/66/556979966.db2.gz ZYMCNWPISWBSNA-UHFFFAOYSA-N 0 0 440.487 4.194 50 0 IIAARN CCOc1ccc(-c2noc(-c3cc4c(COC(=O)CC)cnc(C)c4oc3=O)n2)cc1 ZINC000033267388 556981870 /nfs/dbraw/zinc/98/18/70/556981870.db2.gz OKILYWVYGGYZKY-UHFFFAOYSA-N 0 0 435.436 4.065 50 0 IIAARN CCCc1noc(Cn2cnc3c4cc(C)ccc4n(Cc4ccccc4C)c3c2=O)n1 ZINC000033268093 556982160 /nfs/dbraw/zinc/98/21/60/556982160.db2.gz POJDIXBDAUNQBQ-UHFFFAOYSA-N 0 0 427.508 4.400 50 0 IIAARN COc1cccc(NC(=O)c2nnc(CCC(=O)Nc3ccc(C)cc3Cl)s2)c1 ZINC000033267680 556982189 /nfs/dbraw/zinc/98/21/89/556982189.db2.gz WFGCGURCFOPQTQ-UHFFFAOYSA-N 0 0 430.917 4.332 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)N2CCCC[C@@H]2C)cc1OC ZINC000033268876 556986083 /nfs/dbraw/zinc/98/60/83/556986083.db2.gz SIAHZQIJTBVIDT-INIZCTEOSA-N 0 0 440.569 4.215 50 0 IIAARN CCn1c2cccc(F)c2nc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000097166130 556994769 /nfs/dbraw/zinc/99/47/69/556994769.db2.gz PGXRAIJDRRTZJJ-UHFFFAOYSA-N 0 0 428.467 4.191 50 0 IIAARN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)[C@@H](C)c1ccon1 ZINC000020351227 557009026 /nfs/dbraw/zinc/00/90/26/557009026.db2.gz PHJOPBKYOMKMKD-HNNXBMFYSA-N 0 0 437.525 4.354 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@H]2C)c2ccccc23)cc1 ZINC000020355929 557010066 /nfs/dbraw/zinc/01/00/66/557010066.db2.gz UTNSJVOJPANANC-VQIMIIECSA-N 0 0 435.553 4.409 50 0 IIAARN CN1CCc2c(sc3nc(NCc4ccco4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020392640 557012835 /nfs/dbraw/zinc/01/28/35/557012835.db2.gz HBMXBESJAFIJNR-UHFFFAOYSA-N 0 0 426.929 4.294 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(SC)nc3sc4c(c32)CCN(C)C4)cc1 ZINC000020395217 557013412 /nfs/dbraw/zinc/01/34/12/557013412.db2.gz VXFXMDZJQPWCIZ-UHFFFAOYSA-N 0 0 446.623 4.141 50 0 IIAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000010707458 557019417 /nfs/dbraw/zinc/01/94/17/557019417.db2.gz MAIVWBAJFSANJS-UHFFFAOYSA-N 0 0 438.549 4.237 50 0 IIAARN Cc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2)n1 ZINC000046018791 557020790 /nfs/dbraw/zinc/02/07/90/557020790.db2.gz YMCRNZMMSDWVJQ-AWEZNQCLSA-N 0 0 430.386 4.055 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000010730126 557021652 /nfs/dbraw/zinc/02/16/52/557021652.db2.gz BMKFFGWMJLHSMK-UHFFFAOYSA-N 0 0 429.549 4.089 50 0 IIAARN Clc1ccc(Cc2nc3nc4c(c(Nc5ccc6c(c5)OCCO6)n3n2)CCC4)cc1 ZINC000046022918 557022833 /nfs/dbraw/zinc/02/28/33/557022833.db2.gz VGZPRNQRDLWYKA-UHFFFAOYSA-N 0 0 433.899 4.372 50 0 IIAARN COc1ccccc1-c1nc(CSc2nc3c(nc[nH]c3=O)n2-c2ccccc2)c(C)o1 ZINC000046031447 557024095 /nfs/dbraw/zinc/02/40/95/557024095.db2.gz YZYOKQPVDPVZJJ-UHFFFAOYSA-N 0 0 445.504 4.373 50 0 IIAARN C[C@H](OC(=O)c1cccnc1S[C@@H](C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000010755538 557024709 /nfs/dbraw/zinc/02/47/09/557024709.db2.gz REVCYWCOJGTJQV-IRXDYDNUSA-N 0 0 449.532 4.385 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4ccccc4F)cc3)cc(=O)n21 ZINC000021797653 557026494 /nfs/dbraw/zinc/02/64/94/557026494.db2.gz TUQRKXPDNXKQCJ-UHFFFAOYSA-N 0 0 437.500 4.156 50 0 IIAARN O=C(Cn1cnc2c3cccnc3sc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000046053296 557026515 /nfs/dbraw/zinc/02/65/15/557026515.db2.gz WGDQAXHAFZWMOR-UHFFFAOYSA-N 0 0 438.818 4.317 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 ZINC000021797751 557026605 /nfs/dbraw/zinc/02/66/05/557026605.db2.gz GAOHGTTXSJNEPC-UHFFFAOYSA-N 0 0 449.536 4.025 50 0 IIAARN NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153777 557028663 /nfs/dbraw/zinc/02/86/63/557028663.db2.gz WXXSECPQMQRABJ-UHFFFAOYSA-N 0 0 425.941 4.311 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057653 557029173 /nfs/dbraw/zinc/02/91/73/557029173.db2.gz NGSQCWPIBNPZHB-INIZCTEOSA-N 0 0 428.261 4.391 50 0 IIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075607 557032525 /nfs/dbraw/zinc/03/25/25/557032525.db2.gz JOIOBJCNDOGCDV-SFHVURJKSA-N 0 0 448.548 4.052 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cc(C)cc(C)c2)c1=O ZINC000046079346 557034082 /nfs/dbraw/zinc/03/40/82/557034082.db2.gz FOEIUSMYXBJVCP-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000046079342 557034110 /nfs/dbraw/zinc/03/41/10/557034110.db2.gz ZYGLRRRGRYEEAF-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)Nc1cccc2ncccc21 ZINC000010849668 557035381 /nfs/dbraw/zinc/03/53/81/557035381.db2.gz PGPDISHPUGTURI-UHFFFAOYSA-N 0 0 435.461 4.246 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122829 557036524 /nfs/dbraw/zinc/03/65/24/557036524.db2.gz FQDCAOVVCLBZLX-ZDUSSCGKSA-N 0 0 446.985 4.454 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)s2)cc1 ZINC000046123070 557036854 /nfs/dbraw/zinc/03/68/54/557036854.db2.gz RBOYILCLLPBCRR-AWEZNQCLSA-N 0 0 442.491 4.397 50 0 IIAARN C[C@@H](NC(=O)COC(=O)c1ccccc1COc1ccccc1)c1ccc2c(c1)OCO2 ZINC000010853959 557040027 /nfs/dbraw/zinc/04/00/27/557040027.db2.gz RVORWRMOWPALRW-QGZVFWFLSA-N 0 0 433.460 4.029 50 0 IIAARN COc1ccc(C(=O)c2sc(Nc3cccc(SC)c3)nc2N)c(OC)c1OC ZINC000032948048 557045166 /nfs/dbraw/zinc/04/51/66/557045166.db2.gz NJXNIQZJHHJTED-UHFFFAOYSA-N 0 0 431.539 4.448 50 0 IIAARN COc1cccc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c1 ZINC000033271013 557048655 /nfs/dbraw/zinc/04/86/55/557048655.db2.gz CKMFVYBOJGYOEM-UHFFFAOYSA-N 0 0 437.525 4.435 50 0 IIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000048262420 557049865 /nfs/dbraw/zinc/04/98/65/557049865.db2.gz DQIGKUSEDCUFRL-SFHVURJKSA-N 0 0 442.581 4.206 50 0 IIAARN O=C(CN1CCN(Cc2ccc(Cl)nc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022934501 557052039 /nfs/dbraw/zinc/05/20/39/557052039.db2.gz MQRKMNBSYSCMGA-UHFFFAOYSA-N 0 0 447.288 4.164 50 0 IIAARN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1OC ZINC000004736360 557055410 /nfs/dbraw/zinc/05/54/10/557055410.db2.gz QYUBJJSPKVEOJT-UHFFFAOYSA-N 0 0 426.586 4.151 50 0 IIAARN CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2nc1CC ZINC000022973994 557055486 /nfs/dbraw/zinc/05/54/86/557055486.db2.gz OCUXYXRWOLPZQB-IRXDYDNUSA-N 0 0 446.551 4.256 50 0 IIAARN Cc1nc(C)c(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)s1 ZINC000033276501 557056820 /nfs/dbraw/zinc/05/68/20/557056820.db2.gz XYEFEKJAPSMNRM-UHFFFAOYSA-N 0 0 430.486 4.417 50 0 IIAARN COC(=O)c1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1OC ZINC000023038467 557058480 /nfs/dbraw/zinc/05/84/80/557058480.db2.gz NIDUTLONRSSWOC-UHFFFAOYSA-N 0 0 430.913 4.118 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cc(C)cc3Cl)C2)s1 ZINC000023043078 557059379 /nfs/dbraw/zinc/05/93/79/557059379.db2.gz UQQLHCSMYBJTMK-HNNXBMFYSA-N 0 0 426.991 4.366 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCn1cnc2c(-c3ccc(C)cc3)noc2c1=O ZINC000033277607 557059424 /nfs/dbraw/zinc/05/94/24/557059424.db2.gz BZXUIQGRCBAUHA-UHFFFAOYSA-N 0 0 438.871 4.051 50 0 IIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)N[C@H]2CCCc4ccccc42)c3=O)cc1 ZINC000033277748 557059530 /nfs/dbraw/zinc/05/95/30/557059530.db2.gz CUKHIUAWAOUBEL-NRFANRHFSA-N 0 0 442.519 4.198 50 0 IIAARN C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)C(=O)NC1CCCCC1 ZINC000023055290 557060681 /nfs/dbraw/zinc/06/06/81/557060681.db2.gz MQFSTUGKWHNUMS-LBPRGKRZSA-N 0 0 431.949 4.104 50 0 IIAARN Cc1sc(S(=O)(=O)N2CCSCC2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000033278826 557060819 /nfs/dbraw/zinc/06/08/19/557060819.db2.gz KPIUTQCUKPJTSQ-UHFFFAOYSA-N 0 0 438.640 4.344 50 0 IIAARN CCc1nn2c(nc(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2=O)s1 ZINC000023080997 557062785 /nfs/dbraw/zinc/06/27/85/557062785.db2.gz BQJSOYSSGAMOHC-UHFFFAOYSA-N 0 0 439.928 4.231 50 0 IIAARN O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000023084470 557063176 /nfs/dbraw/zinc/06/31/76/557063176.db2.gz XWOURZKAMSDAFH-UHFFFAOYSA-N 0 0 427.407 4.147 50 0 IIAARN Cc1ccc(CC(=O)N2CCc3c(c(-c4nnc(-c5ccccc5Cl)o4)nn3C)C2)cc1 ZINC000033283894 557063182 /nfs/dbraw/zinc/06/31/82/557063182.db2.gz RIYBGOIUOYMCTG-UHFFFAOYSA-N 0 0 447.926 4.226 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948939 557063478 /nfs/dbraw/zinc/06/34/78/557063478.db2.gz ZRPAONBTXOFTCX-LJQANCHMSA-N 0 0 436.439 4.259 50 0 IIAARN COc1cccc(C2=N/C(=C\c3ccc(OCc4c(C)noc4C)c(OC)c3)C(=O)O2)c1 ZINC000023108847 557063838 /nfs/dbraw/zinc/06/38/38/557063838.db2.gz MRPFKQQFWPRZJR-JMIUGGIZSA-N 0 0 434.448 4.232 50 0 IIAARN O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cc(N2CCCC2=O)ccc1F ZINC000048314665 557064635 /nfs/dbraw/zinc/06/46/35/557064635.db2.gz VWYHUFJXUGSLMK-UHFFFAOYSA-N 0 0 425.508 4.050 50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000023119013 557064758 /nfs/dbraw/zinc/06/47/58/557064758.db2.gz AYBVBGRAWHOWTD-UHFFFAOYSA-N 0 0 446.532 4.345 50 0 IIAARN COc1ccc(CCNC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OC ZINC000048324577 557065353 /nfs/dbraw/zinc/06/53/53/557065353.db2.gz KNVSNGYFIOXQLP-UHFFFAOYSA-N 0 0 431.330 4.088 50 0 IIAARN O=C(CN1CCC[C@@H]1c1nnc2ccccn21)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048324789 557065606 /nfs/dbraw/zinc/06/56/06/557065606.db2.gz CQGCKMZSGOQJNC-MRXNPFEDSA-N 0 0 437.853 4.115 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CSc3nccnc3Sc3ccccc3)CC2)c1 ZINC000033288891 557066096 /nfs/dbraw/zinc/06/60/96/557066096.db2.gz DWWAHJFCRWMTHL-UHFFFAOYSA-N 0 0 436.606 4.377 50 0 IIAARN CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCc3ccccc3F)c21 ZINC000033291549 557069693 /nfs/dbraw/zinc/06/96/93/557069693.db2.gz ZYAHDAMACODTST-UHFFFAOYSA-N 0 0 431.515 4.400 50 0 IIAARN Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000023170887 557070570 /nfs/dbraw/zinc/07/05/70/557070570.db2.gz JRHIJZHJVYIVLP-RUZDIDTESA-N 0 0 446.522 4.201 50 0 IIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000048341190 557070611 /nfs/dbraw/zinc/07/06/11/557070611.db2.gz BDFSCOGGFYSXQF-INIZCTEOSA-N 0 0 431.517 4.040 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4OC)C3)n2)c1 ZINC000033289848 557071605 /nfs/dbraw/zinc/07/16/05/557071605.db2.gz PIKGAJCRLNNSBN-KRWDZBQOSA-N 0 0 434.496 4.114 50 0 IIAARN Cc1nc(CN2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cs1 ZINC000023195697 557072601 /nfs/dbraw/zinc/07/26/01/557072601.db2.gz XYWDTRZVFHOANB-UHFFFAOYSA-N 0 0 430.961 4.037 50 0 IIAARN O=C(CCc1ccc(F)c(F)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048354215 557072593 /nfs/dbraw/zinc/07/25/93/557072593.db2.gz IUMAVKUJCZZHDY-UHFFFAOYSA-N 0 0 427.278 4.189 50 0 IIAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3C)c(C)o2)cc1 ZINC000033296926 557072830 /nfs/dbraw/zinc/07/28/30/557072830.db2.gz HBNQEKXRAZRUTP-UHFFFAOYSA-N 0 0 446.442 4.463 50 0 IIAARN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297843 557073517 /nfs/dbraw/zinc/07/35/17/557073517.db2.gz CKAIOLMSJKMRMH-CQSZACIVSA-N 0 0 427.661 4.322 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000033297859 557073650 /nfs/dbraw/zinc/07/36/50/557073650.db2.gz MYKRSDIMSJPNDA-RAXLEYEMSA-N 0 0 441.509 4.311 50 0 IIAARN Cc1c(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(=O)n(-c2ccccc2)n1C ZINC000048374982 557076305 /nfs/dbraw/zinc/07/63/05/557076305.db2.gz GQMKWIWNJSJXAC-KRWDZBQOSA-N 0 0 428.945 4.496 50 0 IIAARN CCN(Cc1ccccc1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cc(F)cc(F)c1 ZINC000033300618 557081858 /nfs/dbraw/zinc/08/18/58/557081858.db2.gz SDKZFJMAOKXHKK-UHFFFAOYSA-N 0 0 449.457 4.477 50 0 IIAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3OC)c2c1=O ZINC000048987099 557082599 /nfs/dbraw/zinc/08/25/99/557082599.db2.gz HJPFDZIRKXZBLO-UHFFFAOYSA-N 0 0 430.508 4.312 50 0 IIAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049004822 557083931 /nfs/dbraw/zinc/08/39/31/557083931.db2.gz MQIPCNXTVLAQSF-UHFFFAOYSA-N 0 0 432.402 4.053 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)c1 ZINC000049006023 557084870 /nfs/dbraw/zinc/08/48/70/557084870.db2.gz AOOMOSWJJAYVDZ-UHFFFAOYSA-N 0 0 432.524 4.444 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccccc2)s1 ZINC000033306574 557085609 /nfs/dbraw/zinc/08/56/09/557085609.db2.gz CBULISUNMZCXSV-PKNBQFBNSA-N 0 0 431.539 4.042 50 0 IIAARN CSc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C(C)C)cc1 ZINC000049007777 557086021 /nfs/dbraw/zinc/08/60/21/557086021.db2.gz BJRALBMWEYASJE-UHFFFAOYSA-N 0 0 426.567 4.452 50 0 IIAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4n[nH]c5c4CCCC5)cc3)o2)cc1 ZINC000033308326 557088549 /nfs/dbraw/zinc/08/85/49/557088549.db2.gz ZNDVDXWGKAFFQW-UHFFFAOYSA-N 0 0 445.479 4.178 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccc(C)cc4)c3)C2)cc1 ZINC000033308620 557089418 /nfs/dbraw/zinc/08/94/18/557089418.db2.gz WWFLQBWVXMYDHB-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382278 557089450 /nfs/dbraw/zinc/08/94/50/557089450.db2.gz BUKDXQVETIHCGY-FOIQADDNSA-N 0 0 438.915 4.094 50 0 IIAARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382392 557089496 /nfs/dbraw/zinc/08/94/96/557089496.db2.gz HBDPUILPIKCGTM-HXUWFJFHSA-N 0 0 431.883 4.201 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382286 557089559 /nfs/dbraw/zinc/08/95/59/557089559.db2.gz PWLNDPWHOUZPKF-YWZLYKJASA-N 0 0 438.915 4.094 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382275 557089574 /nfs/dbraw/zinc/08/95/74/557089574.db2.gz BUKDXQVETIHCGY-YWZLYKJASA-N 0 0 438.915 4.094 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)c2)c1 ZINC000033308667 557089797 /nfs/dbraw/zinc/08/97/97/557089797.db2.gz RMQXOYVFNVXLMG-QFIPXVFZSA-N 0 0 441.531 4.225 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)c1 ZINC000049002176 557089863 /nfs/dbraw/zinc/08/98/63/557089863.db2.gz AENZJCSFLBEHRJ-UHFFFAOYSA-N 0 0 440.503 4.213 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004759983 557090148 /nfs/dbraw/zinc/09/01/48/557090148.db2.gz GFEALESELGGHFE-FGZHOGPDSA-N 0 0 442.581 4.467 50 0 IIAARN CN(c1ccsc1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000049004188 557092252 /nfs/dbraw/zinc/09/22/52/557092252.db2.gz BKSBCPAUGHIHPC-UHFFFAOYSA-N 0 0 438.640 4.060 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](COc2cccc(C(=O)NC3CC3)c2)C1 ZINC000033311698 557095502 /nfs/dbraw/zinc/09/55/02/557095502.db2.gz RGGJABBZQCRQEK-GOSISDBHSA-N 0 0 426.944 4.092 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c(C)c1 ZINC000033312893 557097443 /nfs/dbraw/zinc/09/74/43/557097443.db2.gz VWKUODNEDFVZNT-WXVAWEFUSA-N 0 0 447.623 4.339 50 0 IIAARN 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/nfs/dbraw/zinc/17/76/52/557177652.db2.gz YFABHOSQIKGVJS-UHFFFAOYSA-N 0 0 427.508 4.158 50 0 IIAARN Cc1nc(/C=C/C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cs1 ZINC000024921295 557178982 /nfs/dbraw/zinc/17/89/82/557178982.db2.gz CHSJGUYDRAQUOR-VOTSOKGWSA-N 0 0 428.558 4.072 50 0 IIAARN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1csc(-c2ccccc2)n1 ZINC000024924032 557179430 /nfs/dbraw/zinc/17/94/30/557179430.db2.gz JTEQOYABJWKRAF-UHFFFAOYSA-N 0 0 437.834 4.455 50 0 IIAARN CC(C)n1c(S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)nc2ccccc2c1=O ZINC000024971520 557183939 /nfs/dbraw/zinc/18/39/39/557183939.db2.gz XDSCCCXEDQRQMY-AWEZNQCLSA-N 0 0 433.541 4.342 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)n1C)c1ccccc1 ZINC000009261509 557184192 /nfs/dbraw/zinc/18/41/92/557184192.db2.gz HBJZKRRTEFFUKJ-KRWDZBQOSA-N 0 0 436.581 4.242 50 0 IIAARN CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000009303022 557185807 /nfs/dbraw/zinc/18/58/07/557185807.db2.gz IEMZYABFLQLASL-HNNXBMFYSA-N 0 0 427.526 4.430 50 0 IIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(cc(C)cc3C)n2C)cc1 ZINC000100823964 557188947 /nfs/dbraw/zinc/18/89/47/557188947.db2.gz QAEAHPRIDGAEPK-FCQUAONHSA-N 0 0 445.610 4.018 50 0 IIAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C(=O)C(C)C)CC2)cc1C ZINC000025026205 557189746 /nfs/dbraw/zinc/18/97/46/557189746.db2.gz NCXZJKUXNPOYDK-UHFFFAOYSA-N 0 0 444.579 4.156 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c(C)c1 ZINC000025040313 557189912 /nfs/dbraw/zinc/18/99/12/557189912.db2.gz VXAOGGHXHOSDLK-FGZHOGPDSA-N 0 0 447.579 4.062 50 0 IIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100841092 557191098 /nfs/dbraw/zinc/19/10/98/557191098.db2.gz YZCWRZXLAXRNDP-SMIHKQSGSA-N 0 0 444.487 4.063 50 0 IIAARN Cc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000025056747 557192279 /nfs/dbraw/zinc/19/22/79/557192279.db2.gz BVWRWLUPKUSBAM-UHFFFAOYSA-N 0 0 431.492 4.459 50 0 IIAARN CCOC(=O)c1c(C)nc(-c2ccco2)nc1S[C@@H](C)C(=O)Nc1ccccc1F ZINC000025057330 557192293 /nfs/dbraw/zinc/19/22/93/557192293.db2.gz FRUKNHKQUYVNNQ-ZDUSSCGKSA-N 0 0 429.473 4.480 50 0 IIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nnc3n2CCCCC3)c1 ZINC000025057039 557192445 /nfs/dbraw/zinc/19/24/45/557192445.db2.gz JUBNKHQJOHPYID-UHFFFAOYSA-N 0 0 426.524 4.096 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)c2c[nH]c3ccccc32)cc1 ZINC000025060076 557192755 /nfs/dbraw/zinc/19/27/55/557192755.db2.gz JLPQKPGIJUNOFD-HXUWFJFHSA-N 0 0 441.487 4.069 50 0 IIAARN Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061610 557193218 /nfs/dbraw/zinc/19/32/18/557193218.db2.gz RLBNACSXFYOTNI-MRXNPFEDSA-N 0 0 430.346 4.047 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cs2)cc1 ZINC000025091854 557195226 /nfs/dbraw/zinc/19/52/26/557195226.db2.gz IXNRHRMEJNCSLZ-UHFFFAOYSA-N 0 0 431.521 4.070 50 0 IIAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cc(Cl)cc(Cl)c1 ZINC000100873069 557195939 /nfs/dbraw/zinc/19/59/39/557195939.db2.gz BPWNJXVIFPWWOD-NMWGTECJSA-N 0 0 438.336 4.356 50 0 IIAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)CCOc1ccccc1 ZINC000100873412 557196131 /nfs/dbraw/zinc/19/61/31/557196131.db2.gz ZVSFYHJBQWGJHZ-XDOYNYLZSA-N 0 0 449.370 4.398 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1 ZINC000025159734 557197590 /nfs/dbraw/zinc/19/75/90/557197590.db2.gz MVFPURWRIHOLQB-DEOSSOPVSA-N 0 0 437.503 4.166 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)o1 ZINC000025170872 557198414 /nfs/dbraw/zinc/19/84/14/557198414.db2.gz RGXGXKVBDDIQSH-UHFFFAOYSA-N 0 0 442.522 4.245 50 0 IIAARN COc1ccc(NC(=O)COc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 ZINC000000791321 557198914 /nfs/dbraw/zinc/19/89/14/557198914.db2.gz IOMPNORKAWCBKC-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN CCOc1ccc([C@H](C)NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000010978874 557201047 /nfs/dbraw/zinc/20/10/47/557201047.db2.gz KIXLPTGXRAZGBC-HNNXBMFYSA-N 0 0 425.554 4.003 50 0 IIAARN COc1ccccc1OCCN1C[C@@H](COc2cccc3[nH]c4ccccc4c32)OCC1=O ZINC000096939962 557206549 /nfs/dbraw/zinc/20/65/49/557206549.db2.gz OPUVSUMPCOUABG-SFHVURJKSA-N 0 0 446.503 4.015 50 0 IIAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4ccc5c(c4)OCO5)c23)C1 ZINC000025391979 557207202 /nfs/dbraw/zinc/20/72/02/557207202.db2.gz YUTBSAPPHYLWPW-AWEZNQCLSA-N 0 0 439.537 4.169 50 0 IIAARN COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Cl ZINC000169621103 557208538 /nfs/dbraw/zinc/20/85/38/557208538.db2.gz UVPMDKYSPLDFQE-QFIPXVFZSA-N 0 0 448.910 4.310 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000011612942 557208996 /nfs/dbraw/zinc/20/89/96/557208996.db2.gz RFWYTHHQDGKKGR-MRXNPFEDSA-N 0 0 440.924 4.060 50 0 IIAARN COC(=O)[C@H]1Cc2ccccc2CN1Cn1nc(Nc2ccccc2F)sc1=S ZINC000025426830 557209394 /nfs/dbraw/zinc/20/93/94/557209394.db2.gz GSLAAIOROBFKGW-QGZVFWFLSA-N 0 0 430.530 4.114 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 ZINC000025576840 557215716 /nfs/dbraw/zinc/21/57/16/557215716.db2.gz HRNFMJJXJSTQDY-LJQANCHMSA-N 0 0 428.945 4.385 50 0 IIAARN CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C ZINC000033377407 557217664 /nfs/dbraw/zinc/21/76/64/557217664.db2.gz AZBICJOBHDKYGG-LUAWRHEFSA-N 0 0 447.509 4.079 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c1C ZINC000025600993 557218397 /nfs/dbraw/zinc/21/83/97/557218397.db2.gz QBVFDSQARMJISX-STZFKDTASA-N 0 0 444.520 4.305 50 0 IIAARN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000025608074 557219008 /nfs/dbraw/zinc/21/90/08/557219008.db2.gz SRERXHTXJDRNLM-UHFFFAOYSA-N 0 0 427.456 4.354 50 0 IIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)c(F)c1 ZINC000010995409 557220566 /nfs/dbraw/zinc/22/05/66/557220566.db2.gz IISNYTMYZUVHKU-UHFFFAOYSA-N 0 0 427.457 4.208 50 0 IIAARN Cc1cc(=O)oc2cc(OC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)ccc12 ZINC000010511645 557222241 /nfs/dbraw/zinc/22/22/41/557222241.db2.gz OBNPAGPHKFJHLY-UHFFFAOYSA-N 0 0 427.460 4.452 50 0 IIAARN COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756700 557223752 /nfs/dbraw/zinc/22/37/52/557223752.db2.gz GPJLBPADEUSQSY-NRFANRHFSA-N 0 0 439.508 4.189 50 0 IIAARN COc1cc(C2SCCS2)ccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000025730074 557223865 /nfs/dbraw/zinc/22/38/65/557223865.db2.gz KRBHOFHMJXXGAS-CQSZACIVSA-N 0 0 433.526 4.271 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)C1 ZINC000010640647 557223927 /nfs/dbraw/zinc/22/39/27/557223927.db2.gz GEUQVYDAPQPESU-CQSZACIVSA-N 0 0 431.945 4.464 50 0 IIAARN COc1ccc(-c2nc(COC(=O)Cc3cc(OC)c(OC)c(OC)c3)cs2)cc1 ZINC000010796730 557224622 /nfs/dbraw/zinc/22/46/22/557224622.db2.gz UCBXDUJXLXVLOR-UHFFFAOYSA-N 0 0 429.494 4.130 50 0 IIAARN CSc1ccccc1NC(=O)CN(C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000025765164 557224824 /nfs/dbraw/zinc/22/48/24/557224824.db2.gz RJUZAURKQSLCAX-UHFFFAOYSA-N 0 0 436.459 4.147 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C2CC2)c1 ZINC000025808211 557227467 /nfs/dbraw/zinc/22/74/67/557227467.db2.gz UJWBMFGXMKAEPU-UHFFFAOYSA-N 0 0 426.904 4.051 50 0 IIAARN CCn1c(CSc2ccc(C(F)(F)F)cn2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000011266019 557227750 /nfs/dbraw/zinc/22/77/50/557227750.db2.gz ZUCIWUQDWWHEFH-UHFFFAOYSA-N 0 0 444.504 4.013 50 0 IIAARN CCCn1c(SCC(=O)N(C)Cc2ccsc2)nc2sc3c(c2c1=O)CCC3 ZINC000011293899 557227791 /nfs/dbraw/zinc/22/77/91/557227791.db2.gz TTYHRVYWAHPLSX-UHFFFAOYSA-N 0 0 433.624 4.169 50 0 IIAARN CCn1c2ccccc2n(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1=O ZINC000025901915 557229738 /nfs/dbraw/zinc/22/97/38/557229738.db2.gz GAMNRJXNPATYGP-XMMPIXPASA-N 0 0 431.561 4.449 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000032949939 557231371 /nfs/dbraw/zinc/23/13/71/557231371.db2.gz VGERGZNFBHWSBL-UHFFFAOYSA-N 0 0 449.433 4.336 50 0 IIAARN O=C(Nc1nc(C2CC2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000026049636 557232888 /nfs/dbraw/zinc/23/28/88/557232888.db2.gz CUFFKCGCLJREBP-UHFFFAOYSA-N 0 0 439.990 4.491 50 0 IIAARN COc1cc(C=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000098063966 557233082 /nfs/dbraw/zinc/23/30/82/557233082.db2.gz GNXAWFBKNNCFNM-UHFFFAOYSA-N 0 0 447.066 4.454 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000026098195 557234312 /nfs/dbraw/zinc/23/43/12/557234312.db2.gz ISHSJFDDYIEBPM-UHFFFAOYSA-N 0 0 440.971 4.321 50 0 IIAARN CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCCCC1 ZINC000026116472 557234965 /nfs/dbraw/zinc/23/49/65/557234965.db2.gz MSHHZLJBARDYTG-UHFFFAOYSA-N 0 0 432.567 4.038 50 0 IIAARN NC(=O)CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1cccs1 ZINC000026122414 557235557 /nfs/dbraw/zinc/23/55/57/557235557.db2.gz IDVLSSBALYRPRI-UHFFFAOYSA-N 0 0 445.957 4.483 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000032950383 557236347 /nfs/dbraw/zinc/23/63/47/557236347.db2.gz OKCMJFYBOLGBGA-UHFFFAOYSA-N 0 0 438.475 4.093 50 0 IIAARN COc1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(OC)cc3OC)C2=O)c1 ZINC000018097618 557236741 /nfs/dbraw/zinc/23/67/41/557236741.db2.gz FFFXXKUUVIYLOW-RCCKNPSSSA-N 0 0 430.460 4.352 50 0 IIAARN O=C1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000100037214 557238590 /nfs/dbraw/zinc/23/85/90/557238590.db2.gz KAFJBLDPKFSYGK-SFHVURJKSA-N 0 0 438.742 4.101 50 0 IIAARN O=C(CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F ZINC000026456527 557241386 /nfs/dbraw/zinc/24/13/86/557241386.db2.gz ZAIHSABUQOXVBH-KRWDZBQOSA-N 0 0 428.266 4.313 50 0 IIAARN CCCN(CC1CC1)C(=O)c1c(OCc2c(C)noc2C)cc(=O)n2c1CCCCC2 ZINC000583648832 557241503 /nfs/dbraw/zinc/24/15/03/557241503.db2.gz YUANJXOUQVFIPT-UHFFFAOYSA-N 0 0 427.545 4.021 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)s2)cc1OC ZINC000018156698 557244180 /nfs/dbraw/zinc/24/41/80/557244180.db2.gz SNUQNVKSHIMXNR-UHFFFAOYSA-N 0 0 426.494 4.137 50 0 IIAARN CN(c1ccc(OC(=O)C(C)(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000026903927 557250532 /nfs/dbraw/zinc/25/05/32/557250532.db2.gz UYLJOCRTKREHNB-UHFFFAOYSA-N 0 0 426.332 4.226 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831181 557253969 /nfs/dbraw/zinc/25/39/69/557253969.db2.gz QHWHUDPRRXEWPP-IBGZPJMESA-N 0 0 439.936 4.025 50 0 IIAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCc2ncc(Cl)n2C)cc1 ZINC000018260684 557254498 /nfs/dbraw/zinc/25/44/98/557254498.db2.gz AIXCWSDYZRSAAA-UHFFFAOYSA-N 0 0 429.929 4.470 50 0 IIAARN CC(C)c1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C(C)C)cc1 ZINC000018281260 557254817 /nfs/dbraw/zinc/25/48/17/557254817.db2.gz FODGUJJURLPVDK-ZEQKJWHPSA-N 0 0 433.552 4.017 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000101099323 557255417 /nfs/dbraw/zinc/25/54/17/557255417.db2.gz DGJULFFNUSNKAN-VXNXHJTFSA-N 0 0 444.487 4.150 50 0 IIAARN CCCOc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OCC ZINC000027022364 557255559 /nfs/dbraw/zinc/25/55/59/557255559.db2.gz LNQMMPBIPCBMDW-NNEYTCFUSA-N 0 0 439.562 4.118 50 0 IIAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027033862 557256010 /nfs/dbraw/zinc/25/60/10/557256010.db2.gz GJCCAZQVQRNTSX-AUUYWEPGSA-N 0 0 443.956 4.020 50 0 IIAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1CN1CCOCC1 ZINC000070007710 557261616 /nfs/dbraw/zinc/26/16/16/557261616.db2.gz MSGODFOPHSYGCL-UHFFFAOYSA-N 0 0 432.549 4.076 50 0 IIAARN CCc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282366 557267423 /nfs/dbraw/zinc/26/74/23/557267423.db2.gz RBFYUEQMHVTSAF-UHFFFAOYSA-N 0 0 428.517 4.373 50 0 IIAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1Br ZINC000000823598 557269195 /nfs/dbraw/zinc/26/91/95/557269195.db2.gz IOQPRQKSYDMYPJ-SFHVURJKSA-N 0 0 437.334 4.352 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000024958044 557270377 /nfs/dbraw/zinc/27/03/77/557270377.db2.gz WPKRXLGVBWAPMT-KRWDZBQOSA-N 0 0 425.554 4.445 50 0 IIAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1C ZINC000027741077 557271965 /nfs/dbraw/zinc/27/19/65/557271965.db2.gz UGTDBAGZALQQCY-UHFFFAOYSA-N 0 0 432.274 4.224 50 0 IIAARN CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027745923 557272577 /nfs/dbraw/zinc/27/25/77/557272577.db2.gz CHPUTIJYOACSIT-KRWDZBQOSA-N 0 0 442.364 4.222 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 ZINC000027752745 557273228 /nfs/dbraw/zinc/27/32/28/557273228.db2.gz NCUMCQNHAZVGBZ-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN CCOc1ccccc1NC(=O)c1ccc(CNc2c(=O)c(=O)c2NC2CCCCC2)cc1 ZINC000101321051 557273471 /nfs/dbraw/zinc/27/34/71/557273471.db2.gz PDTUPUSDQLPFKA-UHFFFAOYSA-N 0 0 447.535 4.290 50 0 IIAARN COc1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(C)cc4)nn32)cc1OC ZINC000101459223 557285207 /nfs/dbraw/zinc/28/52/07/557285207.db2.gz AWDRVEJDXQTCKQ-QHCPKHFHSA-N 0 0 426.476 4.270 50 0 IIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1nn(Cc2c(F)cccc2Cl)cc1Br ZINC000101594370 557291304 /nfs/dbraw/zinc/29/13/04/557291304.db2.gz CIUCSKPYEWRKNE-PHIMTYICSA-N 0 0 440.700 4.166 50 0 IIAARN CCc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629398 557291822 /nfs/dbraw/zinc/29/18/22/557291822.db2.gz KPPCPELEIPCDSW-OYRHEFFESA-N 0 0 440.565 4.033 50 0 IIAARN CCCN1c2ccc(Br)cc2[C@H](Cc2nc3ccccc3c(=O)n2CC)C1=O ZINC000101676579 557293266 /nfs/dbraw/zinc/29/32/66/557293266.db2.gz FODXMCCZWRYDLC-KRWDZBQOSA-N 0 0 440.341 4.262 50 0 IIAARN O=C(NCc1ccccc1F)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828580 557300135 /nfs/dbraw/zinc/30/01/35/557300135.db2.gz LYDLCNFQMONISN-UHFFFAOYSA-N 0 0 430.414 4.027 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)C[C@H](C)O1 ZINC000014094564 557302692 /nfs/dbraw/zinc/30/26/92/557302692.db2.gz RXMMASVVGYXTSK-BETUJISGSA-N 0 0 443.352 4.044 50 0 IIAARN COc1ccc([C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)N2CCOCC2)cc1 ZINC000084456271 557303015 /nfs/dbraw/zinc/30/30/15/557303015.db2.gz XLGAVDIVXRZMHD-GOTSBHOMSA-N 0 0 430.976 4.278 50 0 IIAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)N[C@H](C)CCc3ccccc3)C(=O)C2)cc1 ZINC000101881323 557305393 /nfs/dbraw/zinc/30/53/93/557305393.db2.gz OEKOFMIFFXUEQD-HXUWFJFHSA-N 0 0 440.547 4.385 50 0 IIAARN O=C(c1cnc2ccccc2n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 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/nfs/dbraw/zinc/74/04/20/568740420.db2.gz SJCXAVZLZKVPGU-UHFFFAOYSA-N 0 0 433.295 4.360 50 0 IIAARN O=c1ccc(C(F)(F)F)cn1Cc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 ZINC000031625420 568741179 /nfs/dbraw/zinc/74/11/79/568741179.db2.gz VGPJPLLLKYVGQQ-UHFFFAOYSA-N 0 0 428.332 4.144 50 0 IIAARN COc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1OC ZINC000003219540 568743157 /nfs/dbraw/zinc/74/31/57/568743157.db2.gz RDKWFKKJZBYIGR-UHFFFAOYSA-N 0 0 448.686 4.468 50 0 IIAARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270161 568744678 /nfs/dbraw/zinc/74/46/78/568744678.db2.gz VHSBINDYLQHRMV-UHFFFAOYSA-N 0 0 440.727 4.497 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000044006676 568745684 /nfs/dbraw/zinc/74/56/84/568745684.db2.gz NNDMOFPAZRTMFH-UHFFFAOYSA-N 0 0 432.923 4.305 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003304997 568745710 /nfs/dbraw/zinc/74/57/10/568745710.db2.gz YKAJMERAYCMCIB-UHFFFAOYSA-N 0 0 437.005 4.044 50 0 IIAARN O=C(Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)N1CCC(O)CC1 ZINC000044036985 568746244 /nfs/dbraw/zinc/74/62/44/568746244.db2.gz NXKPKKHDHZOMHT-UHFFFAOYSA-N 0 0 440.971 4.316 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccs3)o1)CCC2 ZINC000003368907 568747723 /nfs/dbraw/zinc/74/77/23/568747723.db2.gz JLKXQZUBUPECML-UHFFFAOYSA-N 0 0 435.552 4.256 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000003372560 568748293 /nfs/dbraw/zinc/74/82/93/568748293.db2.gz VXILUFPODTZIRO-UHFFFAOYSA-N 0 0 425.897 4.422 50 0 IIAARN Cc1cc(C)c(C(=O)COC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1C ZINC000003423793 568748890 /nfs/dbraw/zinc/74/88/90/568748890.db2.gz MJMJSHFGNHYXKL-HYBUGGRVSA-N 0 0 441.524 4.068 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCc3ccccc3)c2)cc1 ZINC000003491260 568750180 /nfs/dbraw/zinc/75/01/80/568750180.db2.gz BTMNATBKHBZDOP-UHFFFAOYSA-N 0 0 438.549 4.167 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000003495744 568750218 /nfs/dbraw/zinc/75/02/18/568750218.db2.gz KDJZLNSQGNJDKU-UHFFFAOYSA-N 0 0 425.510 4.162 50 0 IIAARN FC(F)(F)COc1nc(Nc2ccc(Br)cc2)nc(OCC(F)(F)F)n1 ZINC000003616402 568751412 /nfs/dbraw/zinc/75/14/12/568751412.db2.gz PLMSSSUOWGJTGK-UHFFFAOYSA-N 0 0 447.133 4.260 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)ccc1O ZINC000003643798 568752365 /nfs/dbraw/zinc/75/23/65/568752365.db2.gz DMDAEDQUSUDNHL-GOSISDBHSA-N 0 0 449.488 4.232 50 0 IIAARN COc1ccccc1N1C(=S)N[C@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000012586803 568753606 /nfs/dbraw/zinc/75/36/06/568753606.db2.gz YSFNSDRJRZXMII-OAQYLSRUSA-N 0 0 434.521 4.340 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c1OC ZINC000299764531 568756128 /nfs/dbraw/zinc/75/61/28/568756128.db2.gz AGLJNXBSQSDSFN-UHFFFAOYSA-N 0 0 448.567 4.105 50 0 IIAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1 ZINC000263585722 568759285 /nfs/dbraw/zinc/75/92/85/568759285.db2.gz LPGFKQBSQDKVBN-QHCPKHFHSA-N 0 0 445.519 4.440 50 0 biogenic IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C2)c1 ZINC000004036160 568759731 /nfs/dbraw/zinc/75/97/31/568759731.db2.gz ZHRVZNIFIPVOFF-QFIPXVFZSA-N 0 0 425.554 4.316 50 0 IIAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3[nH]cnc3c2)c2ccccc21 ZINC000263587046 568760243 /nfs/dbraw/zinc/76/02/43/568760243.db2.gz BKUXWMYYQBGWQG-FQEVSTJZSA-N 0 0 433.512 4.129 50 0 IIAARN COC(=O)c1cn(C[C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000263588245 568761025 /nfs/dbraw/zinc/76/10/25/568761025.db2.gz QTTIBODKTBVUSA-SFHVURJKSA-N 0 0 426.476 4.085 50 0 IIAARN COc1ccccc1C(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000015391678 568761780 /nfs/dbraw/zinc/76/17/80/568761780.db2.gz XIISDFKSLUMYDT-UHFFFAOYSA-N 0 0 432.343 4.030 50 0 IIAARN COc1ccc(CNC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC ZINC000015425948 568762147 /nfs/dbraw/zinc/76/21/47/568762147.db2.gz CJAFETNLTWXWBA-UHFFFAOYSA-N 0 0 428.510 4.083 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000025652622 568762344 /nfs/dbraw/zinc/76/23/44/568762344.db2.gz DBLYMHNCYIXVIL-FQEVSTJZSA-N 0 0 436.533 4.296 50 0 IIAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 ZINC000001240157 568774556 /nfs/dbraw/zinc/77/45/56/568774556.db2.gz LALXVFDADNJBAY-FQEVSTJZSA-N 0 0 445.928 4.016 50 0 IIAARN COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000001247689 568774873 /nfs/dbraw/zinc/77/48/73/568774873.db2.gz PAHFAUHGEDZETF-FQEVSTJZSA-N 0 0 429.929 4.316 50 0 IIAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000001247321 568774947 /nfs/dbraw/zinc/77/49/47/568774947.db2.gz PKSZEBNADUJRLI-CYBMUJFWSA-N 0 0 444.578 4.261 50 0 IIAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001260258 568775361 /nfs/dbraw/zinc/77/53/61/568775361.db2.gz XAWKSWXGTFLRTF-BBRMVZONSA-N 0 0 444.578 4.198 50 0 IIAARN CN(c1ccc(NC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1F)C1CCCCC1 ZINC000083869450 568784155 /nfs/dbraw/zinc/78/41/55/568784155.db2.gz RPFSEOJIPWWBPS-GOSISDBHSA-N 0 0 439.535 4.026 50 0 IIAARN CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001401366 568786301 /nfs/dbraw/zinc/78/63/01/568786301.db2.gz WNFOOSDSDKZVOF-KRWDZBQOSA-N 0 0 432.439 4.176 50 0 IIAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001401367 568786361 /nfs/dbraw/zinc/78/63/61/568786361.db2.gz WNFOOSDSDKZVOF-QGZVFWFLSA-N 0 0 432.439 4.176 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001401381 568786481 /nfs/dbraw/zinc/78/64/81/568786481.db2.gz MYFGVAJUBWZBHR-MRXNPFEDSA-N 0 0 434.867 4.300 50 0 IIAARN COc1ccc([C@@H](CNC(=O)CSc2ccc3ccccc3c2)N2CCOCC2)cc1 ZINC000015478368 568787171 /nfs/dbraw/zinc/78/71/71/568787171.db2.gz CZBMHUWABOOARC-XMMPIXPASA-N 0 0 436.577 4.130 50 0 IIAARN CC(=O)Nc1nc(C)cc(-n2nc(-c3ccc(Br)cc3)cc2C(F)(F)F)n1 ZINC000001407820 568787325 /nfs/dbraw/zinc/78/73/25/568787325.db2.gz KRSKGNPRRDVNIU-UHFFFAOYSA-N 0 0 440.223 4.377 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000001406777 568787389 /nfs/dbraw/zinc/78/73/89/568787389.db2.gz NOQXXQDMWWHYAJ-UHFFFAOYSA-N 0 0 425.897 4.487 50 0 IIAARN Cc1[nH]c(C(=O)Nc2cc(Cl)ccc2N2CCC(CO)CC2)c(C)c1C(=O)OC(C)C ZINC000084007958 568789635 /nfs/dbraw/zinc/78/96/35/568789635.db2.gz HRXRVWPXPJMVDH-UHFFFAOYSA-N 0 0 447.963 4.311 50 0 IIAARN C[C@H](OC(=O)CCc1nc(C2CCCC2)no1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000084037709 568790191 /nfs/dbraw/zinc/79/01/91/568790191.db2.gz AJUJPFRAURJRRK-LBPRGKRZSA-N 0 0 441.406 4.129 50 0 IIAARN COc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3F)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001423513 568793209 /nfs/dbraw/zinc/79/32/09/568793209.db2.gz IEBAUOTWWZACOL-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN Cc1[nH]c2c(cccc2F)c1CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000001423174 568793541 /nfs/dbraw/zinc/79/35/41/568793541.db2.gz WVASHTRQOJJJRO-HOTGVXAUSA-N 0 0 428.426 4.186 50 0 IIAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)c1ccc(Cl)cc1)CCS3 ZINC000001427776 568794133 /nfs/dbraw/zinc/79/41/33/568794133.db2.gz FTHALGRGYKLRPH-UHFFFAOYSA-N 0 0 425.897 4.002 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000001432648 568795170 /nfs/dbraw/zinc/79/51/70/568795170.db2.gz DQSBBDZCFDWWIY-QHCPKHFHSA-N 0 0 436.508 4.147 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)s1 ZINC000084205055 568796009 /nfs/dbraw/zinc/79/60/09/568796009.db2.gz DJEPHHGGCYSQIS-SFHVURJKSA-N 0 0 446.613 4.056 50 0 IIAARN Cc1cccc(OCc2nnc(SCc3noc([C@@H]4COc5ccccc5O4)n3)o2)c1 ZINC000084211272 568796234 /nfs/dbraw/zinc/79/62/34/568796234.db2.gz NQNJYWCPYNFTES-KRWDZBQOSA-N 0 0 438.465 4.145 50 0 IIAARN Cc1cccc(Cn2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2=O)c1 ZINC000084210738 568796283 /nfs/dbraw/zinc/79/62/83/568796283.db2.gz OTNZUCIDNAMKFX-HXUWFJFHSA-N 0 0 427.504 4.366 50 0 IIAARN Cn1cc(CNc2ccc(OCC(F)(F)F)nc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000084314168 568797018 /nfs/dbraw/zinc/79/70/18/568797018.db2.gz BHYRQLGJPZEVGL-UHFFFAOYSA-N 0 0 434.418 4.197 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000015672805 568803400 /nfs/dbraw/zinc/80/34/00/568803400.db2.gz LXOIUHGKPWZQFV-HOYKHHGWSA-N 0 0 443.613 4.325 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)ccc1Cl ZINC000032496282 568811475 /nfs/dbraw/zinc/81/14/75/568811475.db2.gz WOLXLJJZHDJUDL-UHFFFAOYSA-N 0 0 445.324 4.051 50 0 IIAARN COc1ccc([C@H](CC(=O)N(C)Cc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721241 568811874 /nfs/dbraw/zinc/81/18/74/568811874.db2.gz LBALNYSKOJJVLL-QHCPKHFHSA-N 0 0 444.531 4.450 50 0 IIAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2S1 ZINC000015730558 568814056 /nfs/dbraw/zinc/81/40/56/568814056.db2.gz PFPXIICVRYNWFX-JTQLQIEISA-N 0 0 427.345 4.073 50 0 IIAARN CCN1CCN(C(=O)CCn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2)CC1 ZINC000085405839 568817685 /nfs/dbraw/zinc/81/76/85/568817685.db2.gz YINONZPCCPPVPU-UHFFFAOYSA-N 0 0 445.394 4.488 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770186 568822294 /nfs/dbraw/zinc/82/22/94/568822294.db2.gz SYSHDEQCXQAYLT-UHFFFAOYSA-N 0 0 439.972 4.401 50 0 IIAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21 ZINC000015783430 568826783 /nfs/dbraw/zinc/82/67/83/568826783.db2.gz SZZVKJOZWKIXSG-GOSISDBHSA-N 0 0 436.537 4.072 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000015783582 568827093 /nfs/dbraw/zinc/82/70/93/568827093.db2.gz ZWKFELOTXKWEHO-OXQOHEQNSA-N 0 0 434.565 4.048 50 0 IIAARN CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664814 568833817 /nfs/dbraw/zinc/83/38/17/568833817.db2.gz MEBDANZBUCONPY-UHFFFAOYSA-N 0 0 431.461 4.034 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)NC2CCCC2)c1C ZINC000085712077 568835416 /nfs/dbraw/zinc/83/54/16/568835416.db2.gz CNBZOXHVINAESB-UHFFFAOYSA-N 0 0 427.545 4.471 50 0 IIAARN CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000001476599 568836604 /nfs/dbraw/zinc/83/66/04/568836604.db2.gz PLXNTNZWEMAWCQ-UHFFFAOYSA-N 0 0 446.370 4.109 50 0 IIAARN COC(=O)c1ccc([C@H](CC(=O)NCc2ccco2)c2c[nH]c3cccc(OC)c32)cc1 ZINC000085878123 568838794 /nfs/dbraw/zinc/83/87/94/568838794.db2.gz HLAVITBIGNBXIT-IBGZPJMESA-N 0 0 432.476 4.395 50 0 biogenic IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3n2)cc1 ZINC000001517122 568839815 /nfs/dbraw/zinc/83/98/15/568839815.db2.gz UKPLBJUMVFGJDO-UHFFFAOYSA-N 0 0 440.425 4.396 50 0 biogenic IIAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)Nc1cc(C)ccc1C ZINC000015824420 568840440 /nfs/dbraw/zinc/84/04/40/568840440.db2.gz NWNKILQHRQZJPK-UHFFFAOYSA-N 0 0 438.553 4.424 50 0 IIAARN CN1c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2Sc2ccccc2C1=O ZINC000015826015 568840711 /nfs/dbraw/zinc/84/07/11/568840711.db2.gz YGMQLBXWDCTHLK-MRXNPFEDSA-N 0 0 443.528 4.419 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000015827911 568841056 /nfs/dbraw/zinc/84/10/56/568841056.db2.gz BQGGTGIAIHWBOB-UHFFFAOYSA-N 0 0 425.489 4.341 50 0 IIAARN CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1cccs1)C(=O)N2Cc1ccccc1 ZINC000015828606 568841203 /nfs/dbraw/zinc/84/12/03/568841203.db2.gz WSTWTAXJKSGZFR-UHFFFAOYSA-N 0 0 425.554 4.307 50 0 IIAARN COc1ccc(-c2nn3ccnc(N4CCN(c5cc(C)ccc5C)CC4)c3c2C=O)cc1 ZINC000015829411 568841237 /nfs/dbraw/zinc/84/12/37/568841237.db2.gz SHPNQXQNBVRTKR-UHFFFAOYSA-N 0 0 441.535 4.161 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(Cl)ccc2OC)o1 ZINC000025694942 568842759 /nfs/dbraw/zinc/84/27/59/568842759.db2.gz DLKUELBCPKTAIX-UHFFFAOYSA-N 0 0 431.872 4.189 50 0 IIAARN C[C@@H]1CCC=C2[C@H]3C=C[C@]21[C@H](S(=O)(=O)c1ccccc1)[C@H]3S(=O)(=O)c1ccccc1 ZINC000257358461 568843845 /nfs/dbraw/zinc/84/38/45/568843845.db2.gz UQOAXBMZAMXLTI-CKGMVJMISA-N 0 0 440.586 4.214 50 0 IIAARN COc1ccccc1Nc1sc(C(=O)c2ccc(Br)cc2)c(N)c1C(N)=O ZINC000015862833 568849129 /nfs/dbraw/zinc/84/91/29/568849129.db2.gz IJAZMYYQSTYABE-UHFFFAOYSA-N 0 0 446.326 4.175 50 0 IIAARN COc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)c(OC)c1 ZINC000015862805 568849136 /nfs/dbraw/zinc/84/91/36/568849136.db2.gz RTWIMTZCRGXJJN-UHFFFAOYSA-N 0 0 446.551 4.234 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1 ZINC000015865558 568850348 /nfs/dbraw/zinc/85/03/48/568850348.db2.gz YNIYONPLWUHRRS-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN CCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2s1 ZINC000015870044 568851407 /nfs/dbraw/zinc/85/14/07/568851407.db2.gz LNTZSXOPOYMTDZ-UHFFFAOYSA-N 0 0 425.919 4.108 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 ZINC000015880743 568854215 /nfs/dbraw/zinc/85/42/15/568854215.db2.gz PPNAYZLZBKDXPF-UHFFFAOYSA-N 0 0 430.917 4.308 50 0 IIAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)nn1 ZINC000015880834 568854457 /nfs/dbraw/zinc/85/44/57/568854457.db2.gz UYSBFQRSIQWTRQ-UHFFFAOYSA-N 0 0 435.427 4.208 50 0 IIAARN COc1ccc(C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012937288 568866052 /nfs/dbraw/zinc/86/60/52/568866052.db2.gz CBDDLYGJTKPYSI-UHFFFAOYSA-N 0 0 430.570 4.140 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000016033057 568867653 /nfs/dbraw/zinc/86/76/53/568867653.db2.gz XADZWCNKQGOSMJ-ISKFKSNPSA-N 0 0 425.463 4.093 50 0 IIAARN C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012950432 568872229 /nfs/dbraw/zinc/87/22/29/568872229.db2.gz HEXSKRYFKBMFPT-CXAGYDPISA-N 0 0 445.516 4.006 50 0 IIAARN Cc1nc(N2CCCC2)ncc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C ZINC000575473047 568873226 /nfs/dbraw/zinc/87/32/26/568873226.db2.gz ADNNJPYSSTUUIZ-HNNXBMFYSA-N 0 0 446.551 4.445 50 0 IIAARN CCc1nc2sc(C(=O)N3CCCN(Cc4ccc(OC)cc4)CC3)c(C)c2c(C)n1 ZINC000026360165 568877127 /nfs/dbraw/zinc/87/71/27/568877127.db2.gz ZSFJARVDILTCKN-UHFFFAOYSA-N 0 0 438.597 4.227 50 0 IIAARN COc1cc(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)cc(OC)c1 ZINC000016334708 568877152 /nfs/dbraw/zinc/87/71/52/568877152.db2.gz NCOSXQVKTUIJBD-UHFFFAOYSA-N 0 0 434.518 4.037 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000008663751 568877559 /nfs/dbraw/zinc/87/75/59/568877559.db2.gz QQSMZSNWYXAVAZ-OAHLLOKOSA-N 0 0 442.566 4.021 50 0 IIAARN Cc1cc2ccccc2n1CCC(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615085 568881061 /nfs/dbraw/zinc/88/10/61/568881061.db2.gz BDBKWBSXDXVFDI-QFIPXVFZSA-N 0 0 444.984 4.382 50 0 IIAARN Cc1cc2ccccc2n1CCC(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615079 568881153 /nfs/dbraw/zinc/88/11/53/568881153.db2.gz BDBKWBSXDXVFDI-JOCHJYFZSA-N 0 0 444.984 4.382 50 0 IIAARN COc1ccc(OC)c(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000010974551 568884657 /nfs/dbraw/zinc/88/46/57/568884657.db2.gz JIFQWHQRHUKRPD-RVFSUOIPSA-N 0 0 439.386 4.186 50 0 IIAARN O=C(/C=C/c1ccc(Br)cc1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032738744 568896074 /nfs/dbraw/zinc/89/60/74/568896074.db2.gz HPWHDFHRFVFFEV-JXMROGBWSA-N 0 0 441.306 4.428 50 0 IIAARN Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccccc2Cl)n1 ZINC000035671053 568897329 /nfs/dbraw/zinc/89/73/29/568897329.db2.gz OMYOTYNOCORMGJ-UHFFFAOYSA-N 0 0 437.304 4.285 50 0 IIAARN O=C(c1cc(-c2ccco2)on1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013004956 568898931 /nfs/dbraw/zinc/89/89/31/568898931.db2.gz BGEIFUXXZYAPTH-UHFFFAOYSA-N 0 0 426.432 4.014 50 0 IIAARN Cc1nc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)CC2)cs1 ZINC000013010443 568899791 /nfs/dbraw/zinc/89/97/91/568899791.db2.gz OQTDNNVYCCWUGI-UHFFFAOYSA-N 0 0 435.553 4.054 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C(C)C)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524729339 568903854 /nfs/dbraw/zinc/90/38/54/568903854.db2.gz PDIQKGGOWASBPQ-JOCHJYFZSA-N 0 0 431.540 4.275 50 0 biogenic IIAARN CC(C)Cc1ccc([C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517392 568908573 /nfs/dbraw/zinc/90/85/73/568908573.db2.gz HNXNDNKUTMDFBQ-QHCPKHFHSA-N 0 0 434.565 4.434 50 0 IIAARN CCN(CC)C(=O)c1sc(NC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C(=O)OC)c1C ZINC000239287408 568910971 /nfs/dbraw/zinc/91/09/71/568910971.db2.gz CSJUBGQADWBIBN-GZBFAFLISA-N 0 0 439.647 4.436 50 0 IIAARN COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965576 568912597 /nfs/dbraw/zinc/91/25/97/568912597.db2.gz UTYSQDNUTFAYOB-KNQAVFIVSA-N 0 0 434.374 4.345 50 0 IIAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245310386 568914636 /nfs/dbraw/zinc/91/46/36/568914636.db2.gz IRFGYOQMQZJKTO-WTGUMLROSA-N 0 0 427.287 4.098 50 0 IIAARN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064370032 568920013 /nfs/dbraw/zinc/92/00/13/568920013.db2.gz LNKNEGKIBFTPMO-UHFFFAOYSA-N 0 0 430.946 4.058 50 0 IIAARN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000089340171 568920896 /nfs/dbraw/zinc/92/08/96/568920896.db2.gz UBWJTTOCXMRCKI-QGZVFWFLSA-N 0 0 443.491 4.226 50 0 IIAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917019 568922697 /nfs/dbraw/zinc/92/26/97/568922697.db2.gz XSCIABNMMAMEPH-OAQYLSRUSA-N 0 0 436.508 4.003 50 0 IIAARN Cc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001926419 568923357 /nfs/dbraw/zinc/92/33/57/568923357.db2.gz JGGSSOOBWZAYQO-UHFFFAOYSA-N 0 0 425.487 4.199 50 0 IIAARN COc1ccc(C(=O)[C@@H]2CCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000089438666 568924844 /nfs/dbraw/zinc/92/48/44/568924844.db2.gz HWYHJNSEBXPRDE-IBGZPJMESA-N 0 0 439.899 4.205 50 0 IIAARN CC[C@@H](C)N(CC(=O)Nc1nc(C)c(C)s1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016614086 568925901 /nfs/dbraw/zinc/92/59/01/568925901.db2.gz WBSCJJHTMWWQJK-CQSZACIVSA-N 0 0 431.583 4.341 50 0 IIAARN CCCCNC(=O)Nc1cccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCCN32)c1 ZINC000016613980 568925991 /nfs/dbraw/zinc/92/59/91/568925991.db2.gz WKLJULJDFLKYRC-LJQANCHMSA-N 0 0 430.574 4.295 50 0 IIAARN CCOC(=O)C(=NNc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000252613739 568926108 /nfs/dbraw/zinc/92/61/08/568926108.db2.gz JDOBWMZBXPEPMG-UHFFFAOYSA-N 0 0 428.203 4.255 50 0 IIAARN COc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1OC ZINC000089471476 568926587 /nfs/dbraw/zinc/92/65/87/568926587.db2.gz CJSAHXVOLDTLHM-UHFFFAOYSA-N 0 0 446.912 4.410 50 0 IIAARN Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C(F)(F)F ZINC000089505643 568927769 /nfs/dbraw/zinc/92/77/69/568927769.db2.gz SRCLCNOBRAZDFP-SFHVURJKSA-N 0 0 437.466 4.134 50 0 IIAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000064558017 568931876 /nfs/dbraw/zinc/93/18/76/568931876.db2.gz CZBIOBMFAQJHES-OAQYLSRUSA-N 0 0 437.492 4.461 50 0 IIAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000064566096 568932853 /nfs/dbraw/zinc/93/28/53/568932853.db2.gz JQCKWAASXLNJEZ-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1cccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)c1C ZINC000064566552 568933486 /nfs/dbraw/zinc/93/34/86/568933486.db2.gz MIYOSDSOKXSQOE-UHFFFAOYSA-N 0 0 446.486 4.483 50 0 IIAARN COc1cc([C@H]2OC(c3cc(Br)ccc3OC(C)C)=NN2C(C)=O)ccc1O ZINC000064567415 568933597 /nfs/dbraw/zinc/93/35/97/568933597.db2.gz MQFCBTKQIARFTB-HXUWFJFHSA-N 0 0 449.301 4.190 50 0 IIAARN Cc1nc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)c(C)o1 ZINC000089548046 568937174 /nfs/dbraw/zinc/93/71/74/568937174.db2.gz UCUAVGTUEBFAMD-UHFFFAOYSA-N 0 0 449.580 4.450 50 0 IIAARN Cc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc12 ZINC000089568502 568937795 /nfs/dbraw/zinc/93/77/95/568937795.db2.gz QFPUJSAHEYEHBM-UHFFFAOYSA-N 0 0 448.500 4.179 50 0 IIAARN Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O ZINC000064605126 568939072 /nfs/dbraw/zinc/93/90/72/568939072.db2.gz ICKMJSCDJVARDU-UHFFFAOYSA-N 0 0 438.487 4.110 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000064605362 568939650 /nfs/dbraw/zinc/93/96/50/568939650.db2.gz UMRVQRLNCHSKBN-GOSISDBHSA-N 0 0 432.524 4.321 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000064668036 568943087 /nfs/dbraw/zinc/94/30/87/568943087.db2.gz QFTDWSJYIRNKNU-OAHLLOKOSA-N 0 0 429.561 4.368 50 0 IIAARN Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(Br)cc3)c(C)n2C)n1 ZINC000064668293 568943147 /nfs/dbraw/zinc/94/31/47/568943147.db2.gz ACWXHQDDHTWMCW-UHFFFAOYSA-N 0 0 440.388 4.006 50 0 IIAARN CC[C@H](C)NC(=O)CN(C)c1nn2c(nc(-c3cccc(C)c3)c2NC(C)(C)C)s1 ZINC000064703623 568944525 /nfs/dbraw/zinc/94/45/25/568944525.db2.gz CJLOZRHTSCTOCL-HNNXBMFYSA-N 0 0 428.606 4.328 50 0 IIAARN CN(CC(=O)NC1CCCC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704336 568944603 /nfs/dbraw/zinc/94/46/03/568944603.db2.gz FATRQIQREUBKPU-UHFFFAOYSA-N 0 0 426.590 4.163 50 0 IIAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cccc(F)c2)n1 ZINC000036068117 568945345 /nfs/dbraw/zinc/94/53/45/568945345.db2.gz SPJMMGTUCAPWRH-INIZCTEOSA-N 0 0 439.487 4.273 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083675 568947415 /nfs/dbraw/zinc/94/74/15/568947415.db2.gz SYJNOSPIBZYJQW-FQEVSTJZSA-N 0 0 432.879 4.462 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083889 568947518 /nfs/dbraw/zinc/94/75/18/568947518.db2.gz WYRDIJXXNDNFRJ-QHCPKHFHSA-N 0 0 438.524 4.294 50 0 IIAARN COc1cccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)c1OC ZINC000064775022 568954353 /nfs/dbraw/zinc/95/43/53/568954353.db2.gz XMUIVUNYAANCPF-UHFFFAOYSA-N 0 0 448.504 4.253 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(C)c1 ZINC000064775767 568954889 /nfs/dbraw/zinc/95/48/89/568954889.db2.gz CPORDLWENVVYLL-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)[C@@H](C)CC ZINC000036117274 568955765 /nfs/dbraw/zinc/95/57/65/568955765.db2.gz QFABDECVPQTHTA-LAUBAEHRSA-N 0 0 444.597 4.299 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC(C)C ZINC000036117558 568955961 /nfs/dbraw/zinc/95/59/61/568955961.db2.gz YHBTVCAPIGTJSY-LJQANCHMSA-N 0 0 444.597 4.156 50 0 IIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1 ZINC000036119495 568956117 /nfs/dbraw/zinc/95/61/17/568956117.db2.gz VRTMSJWRDVNJND-OAQYLSRUSA-N 0 0 426.582 4.290 50 0 IIAARN COc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1OC ZINC000064788008 568956991 /nfs/dbraw/zinc/95/69/91/568956991.db2.gz KVTARKQHVHUADR-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120287 568957025 /nfs/dbraw/zinc/95/70/25/568957025.db2.gz WHHSCGPNZGDTFC-FQEVSTJZSA-N 0 0 444.572 4.287 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036120214 568957118 /nfs/dbraw/zinc/95/71/18/568957118.db2.gz ALPNNQBTESSFBF-QFIPXVFZSA-N 0 0 428.598 4.456 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C1CC1 ZINC000036120871 568957634 /nfs/dbraw/zinc/95/76/34/568957634.db2.gz QXOIHSJNOANLMT-IIBYNOLFSA-N 0 0 444.572 4.429 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121445 568958378 /nfs/dbraw/zinc/95/83/78/568958378.db2.gz JJVBNOLBCVXWGV-IERDGZPVSA-N 0 0 444.572 4.429 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)[C@@H](C)CC ZINC000036123153 568958463 /nfs/dbraw/zinc/95/84/63/568958463.db2.gz LRTCIJBNVWPWIC-JXFKEZNVSA-N 0 0 447.576 4.222 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036123005 568958592 /nfs/dbraw/zinc/95/85/92/568958592.db2.gz SBLWKQUQEKNDQY-IBGZPJMESA-N 0 0 447.576 4.224 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC(C)C ZINC000036123501 568958650 /nfs/dbraw/zinc/95/86/50/568958650.db2.gz LIDUNXVITOCBJK-FQEVSTJZSA-N 0 0 447.576 4.080 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccccc2OC)cc1 ZINC000064798920 568960616 /nfs/dbraw/zinc/96/06/16/568960616.db2.gz FPTQBUSNPHAMGE-MRXNPFEDSA-N 0 0 429.519 4.072 50 0 IIAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3C)cc2)n1 ZINC000064802079 568961671 /nfs/dbraw/zinc/96/16/71/568961671.db2.gz ZDEWLJDYBUFLDN-UHFFFAOYSA-N 0 0 441.557 4.387 50 0 IIAARN O[C@H](COc1ccccc1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147197 568962481 /nfs/dbraw/zinc/96/24/81/568962481.db2.gz VFTFPNGXZFRIJO-ZCYQVOJMSA-N 0 0 434.511 4.261 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064815818 568963596 /nfs/dbraw/zinc/96/35/96/568963596.db2.gz MTJXSORGMRHVMS-RUZDIDTESA-N 0 0 448.592 4.394 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817251 568964339 /nfs/dbraw/zinc/96/43/39/568964339.db2.gz INSXRWYLQFBSDV-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1C ZINC000064816237 568965008 /nfs/dbraw/zinc/96/50/08/568965008.db2.gz BKSVNACXSHBDRM-RUZDIDTESA-N 0 0 432.524 4.238 50 0 IIAARN CCc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064816238 568965071 /nfs/dbraw/zinc/96/50/71/568965071.db2.gz OFGRIIDNBWSGLM-VWLOTQADSA-N 0 0 432.524 4.183 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1F ZINC000064819168 568966003 /nfs/dbraw/zinc/96/60/03/568966003.db2.gz OHOJGBVMPNBIDA-UHFFFAOYSA-N 0 0 433.409 4.450 50 0 IIAARN O=C(C1CCCC1)N1CCS[C@]12c1cc(F)ccc1N(Cc1ccc(F)cc1)C2=O ZINC000036165182 568968228 /nfs/dbraw/zinc/96/82/28/568968228.db2.gz LMTXTESLUDDDOW-QHCPKHFHSA-N 0 0 428.504 4.430 50 0 IIAARN Cc1nc2ccccc2c(=O)n1Cc1noc(-c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000064867412 568975109 /nfs/dbraw/zinc/97/51/09/568975109.db2.gz PTXRZSIVUBAICF-UHFFFAOYSA-N 0 0 437.459 4.056 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869694 568976365 /nfs/dbraw/zinc/97/63/65/568976365.db2.gz SSRPBPCLJWGMGO-UHFFFAOYSA-N 0 0 425.510 4.360 50 0 IIAARN O=c1c2ccccc2ncn1Cc1noc(-c2cccc(-c3nnc(-c4ccccc4)o3)c2)n1 ZINC000064867746 568977063 /nfs/dbraw/zinc/97/70/63/568977063.db2.gz JRLCZTQEOGKJIE-UHFFFAOYSA-N 0 0 448.442 4.212 50 0 IIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1Cl ZINC000064871882 568977934 /nfs/dbraw/zinc/97/79/34/568977934.db2.gz FRJAYDXEKIRVPN-UHFFFAOYSA-N 0 0 436.942 4.488 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(OC)c1 ZINC000064872991 568978133 /nfs/dbraw/zinc/97/81/33/568978133.db2.gz JBNGLSCMONGCSB-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN CN(CCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1)c1ccccc1 ZINC000064872426 568978427 /nfs/dbraw/zinc/97/84/27/568978427.db2.gz WQNIHUDBRQDPCH-UHFFFAOYSA-N 0 0 447.558 4.142 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)[nH]c(=O)n5C(C)C)no3)CC2=O)cc1C ZINC000064891109 568981129 /nfs/dbraw/zinc/98/11/29/568981129.db2.gz OWHXQMNNOJHUHW-KRWDZBQOSA-N 0 0 431.496 4.098 50 0 IIAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccccc2C)c1 ZINC000036248342 568982626 /nfs/dbraw/zinc/98/26/26/568982626.db2.gz ZVDAIRFWLCXQCU-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN Cc1cc(C)c(NC(=O)CCn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)c(C)c1 ZINC000064891946 568982935 /nfs/dbraw/zinc/98/29/35/568982935.db2.gz DJMDTUVVTMLJLM-UHFFFAOYSA-N 0 0 432.524 4.067 50 0 IIAARN CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000006775840 568983576 /nfs/dbraw/zinc/98/35/76/568983576.db2.gz MTYGPZUMDCPWOP-NRFANRHFSA-N 0 0 430.980 4.292 50 0 IIAARN O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036252431 568984385 /nfs/dbraw/zinc/98/43/85/568984385.db2.gz WTFVHCFUCHMJLU-UIOOFZCWSA-N 0 0 445.607 4.197 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000064924840 568986392 /nfs/dbraw/zinc/98/63/92/568986392.db2.gz WNYNZLRXRQHZHG-UHFFFAOYSA-N 0 0 436.535 4.288 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927600 568986614 /nfs/dbraw/zinc/98/66/14/568986614.db2.gz QMBLXNSPVPVYGI-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)cc1C ZINC000064927997 568986813 /nfs/dbraw/zinc/98/68/13/568986813.db2.gz OTUMWOFBYUYFRI-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN COc1cc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc(OC)c1 ZINC000064928932 568987251 /nfs/dbraw/zinc/98/72/51/568987251.db2.gz ZAYURPFOKOVDAX-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)cc1Cl ZINC000064928410 568987673 /nfs/dbraw/zinc/98/76/73/568987673.db2.gz IOOSPAMTIOSNIQ-INIZCTEOSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccccc4C)C3)ccc2=O)cc1Cl ZINC000064928686 568987739 /nfs/dbraw/zinc/98/77/39/568987739.db2.gz OYBZXCUCODQGRO-SFHVURJKSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)ccc2=O)cc1Cl ZINC000064928672 568987834 /nfs/dbraw/zinc/98/78/34/568987834.db2.gz UFYKVCGBGLSWMT-MRXNPFEDSA-N 0 0 440.906 4.189 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929925 568988225 /nfs/dbraw/zinc/98/82/25/568988225.db2.gz MUSYWOYFCFFGIH-SFHVURJKSA-N 0 0 440.500 4.306 50 0 IIAARN O=C(CSc1ccccc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930038 568988491 /nfs/dbraw/zinc/98/84/91/568988491.db2.gz UJJUPDMUUZJSCW-QGZVFWFLSA-N 0 0 442.541 4.385 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681201 568991241 /nfs/dbraw/zinc/99/12/41/568991241.db2.gz MYAOOJJRDSEKAP-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Br)cn2)cc1 ZINC000064942506 568991858 /nfs/dbraw/zinc/99/18/58/568991858.db2.gz NMHNBLMDFVHDNG-UHFFFAOYSA-N 0 0 431.311 4.238 50 0 IIAARN CCc1ccccc1NC(=O)Cn1c(C)ccc(NC(=O)Nc2ccc(OC)cc2)c1=O ZINC000169681269 568992943 /nfs/dbraw/zinc/99/29/43/568992943.db2.gz GQRVCDLBHHONLC-UHFFFAOYSA-N 0 0 434.496 4.010 50 0 IIAARN Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3Cl)c2=O)c1 ZINC000169681259 568992979 /nfs/dbraw/zinc/99/29/79/568992979.db2.gz YDLPHBUHYHLWQP-UHFFFAOYSA-N 0 0 438.915 4.079 50 0 IIAARN O=C(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)Nc1cccc(Cl)c1 ZINC000064945159 568993453 /nfs/dbraw/zinc/99/34/53/568993453.db2.gz FUUOOYVDPJKNCY-UHFFFAOYSA-N 0 0 428.901 4.202 50 0 IIAARN CC(C)c1ccc(Cn2c3nn(Cc4ccc(F)cc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946522 568993696 /nfs/dbraw/zinc/99/36/96/568993696.db2.gz WVUXBSWQGKEUKB-UHFFFAOYSA-N 0 0 448.523 4.232 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000064948539 568994411 /nfs/dbraw/zinc/99/44/11/568994411.db2.gz MFFNKOGPHCYSCC-UHFFFAOYSA-N 0 0 438.509 4.418 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000064948555 568994488 /nfs/dbraw/zinc/99/44/88/568994488.db2.gz NVKNJIDXSLMEII-UHFFFAOYSA-N 0 0 438.509 4.274 50 0 IIAARN CCc1nnc2c(SCC(=O)Nc3cccc(Br)c3)nc3ccccc3n12 ZINC000064949100 568994736 /nfs/dbraw/zinc/99/47/36/568994736.db2.gz VEAKYSGEILXWIH-UHFFFAOYSA-N 0 0 442.342 4.333 50 0 IIAARN CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)NCCOC)cc2)n1 ZINC000006802230 568995618 /nfs/dbraw/zinc/99/56/18/568995618.db2.gz BYFGJQOANWDEKN-QGZVFWFLSA-N 0 0 428.602 4.086 50 0 IIAARN CCCN(CCC)C(=O)Cn1ncc2c(C)n(Cc3ccccc3Cl)c(C)c2c1=O ZINC000006807995 568997140 /nfs/dbraw/zinc/99/71/40/568997140.db2.gz ISQSMIREUCBEJT-UHFFFAOYSA-N 0 0 428.964 4.165 50 0 IIAARN O=C(Nc1ccc(F)cc1F)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036312059 568997535 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439.422 4.137 50 0 IIAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4)c3C)c(C)o2)cc1OC ZINC000064967403 569001856 /nfs/dbraw/zinc/00/18/56/569001856.db2.gz VUNGNZUPKHUYNF-UHFFFAOYSA-N 0 0 447.495 4.258 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972036 569076749 /nfs/dbraw/zinc/07/67/49/569076749.db2.gz GWTIIVAURXUXNE-NRFANRHFSA-N 0 0 426.925 4.094 50 0 IIAARN CC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1 ZINC000064978323 569077809 /nfs/dbraw/zinc/07/78/09/569077809.db2.gz DIAIEMDRXSRIGH-UHFFFAOYSA-N 0 0 427.504 4.086 50 0 IIAARN COc1ccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1OC ZINC000064978295 569077852 /nfs/dbraw/zinc/07/78/52/569077852.db2.gz SNSPSFUOXHWPJS-UHFFFAOYSA-N 0 0 444.531 4.074 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCCCC2)c1 ZINC000036341680 569079388 /nfs/dbraw/zinc/07/93/88/569079388.db2.gz YJOPYYOKZPXYQV-XMMPIXPASA-N 0 0 435.568 4.484 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036342697 569079512 /nfs/dbraw/zinc/07/95/12/569079512.db2.gz ZNFLHBQVJBRFMI-VWLOTQADSA-N 0 0 447.579 4.128 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343519 569080454 /nfs/dbraw/zinc/08/04/54/569080454.db2.gz YNRCAUJSRYCVRG-ZCYQVOJMSA-N 0 0 447.579 4.256 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036346683 569081379 /nfs/dbraw/zinc/08/13/79/569081379.db2.gz MAHNQIUMVYUFOQ-MRXNPFEDSA-N 0 0 431.483 4.080 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985348 569081900 /nfs/dbraw/zinc/08/19/00/569081900.db2.gz VMNJRWAVCJLKRJ-NRFANRHFSA-N 0 0 442.924 4.243 50 0 IIAARN O=C(NC1CCCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985735 569082136 /nfs/dbraw/zinc/08/21/36/569082136.db2.gz OBSLXTHZUHNLTG-NRFANRHFSA-N 0 0 448.972 4.135 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988927 569082918 /nfs/dbraw/zinc/08/29/18/569082918.db2.gz SENLRBBIIDWDAK-UHFFFAOYSA-N 0 0 442.947 4.283 50 0 IIAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064989979 569083113 /nfs/dbraw/zinc/08/31/13/569083113.db2.gz WWMYFYIISGSBPL-UHFFFAOYSA-N 0 0 430.504 4.227 50 0 IIAARN COc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@H](C)C3)cc1 ZINC000064990169 569083256 /nfs/dbraw/zinc/08/32/56/569083256.db2.gz OAURPXYWCOBCLA-GOSISDBHSA-N 0 0 444.531 4.154 50 0 IIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036358819 569085204 /nfs/dbraw/zinc/08/52/04/569085204.db2.gz WWRDPHVEAKKQBW-MOPGFXCFSA-N 0 0 436.537 4.219 50 0 IIAARN CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O ZINC000064998964 569085677 /nfs/dbraw/zinc/08/56/77/569085677.db2.gz NHGVAGOTWITOTI-UHFFFAOYSA-N 0 0 444.413 4.080 50 0 IIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCc3ccccc3)c2C1 ZINC000065000273 569085940 /nfs/dbraw/zinc/08/59/40/569085940.db2.gz LPDNWABRWPNXDH-UHFFFAOYSA-N 0 0 446.522 4.494 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999540 569086184 /nfs/dbraw/zinc/08/61/84/569086184.db2.gz LRWUZCXKGRZGER-UHFFFAOYSA-N 0 0 442.562 4.461 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 ZINC000064999568 569086193 /nfs/dbraw/zinc/08/61/93/569086193.db2.gz GXDBSPQICBDWCQ-UHFFFAOYSA-N 0 0 440.590 4.438 50 0 IIAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3ccc4oc(C5CC5)nc4c3)CC2)cc1 ZINC000065005838 569087258 /nfs/dbraw/zinc/08/72/58/569087258.db2.gz QXMQPXILMMMDII-UHFFFAOYSA-N 0 0 447.535 4.273 50 0 IIAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)ncn2)cc1OC ZINC000065007950 569087341 /nfs/dbraw/zinc/08/73/41/569087341.db2.gz FLNRAVJFUUNYFB-UHFFFAOYSA-N 0 0 447.539 4.132 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)N(C)Cc1nc2cc(C(=O)NC(C)C)ccc2n1C ZINC000065008542 569087703 /nfs/dbraw/zinc/08/77/03/569087703.db2.gz XGMMLXMLCLZHCY-UHFFFAOYSA-N 0 0 427.936 4.337 50 0 IIAARN COc1ccc(-c2ccc(Nc3cccc(Cl)c3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009567 569088012 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O=C(CSCc1cc(-c2cccs2)on1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000089774622 569162646 /nfs/dbraw/zinc/16/26/46/569162646.db2.gz UXGFJQMPHSRCKC-NRFANRHFSA-N 0 0 448.997 4.496 50 0 IIAARN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 ZINC000089780564 569162744 /nfs/dbraw/zinc/16/27/44/569162744.db2.gz YVBSBNPVKGJOFZ-UHFFFAOYSA-N 0 0 428.500 4.246 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC000016840357 569163140 /nfs/dbraw/zinc/16/31/40/569163140.db2.gz FFDZECMFTXVHJR-UHFFFAOYSA-N 0 0 436.418 4.099 50 0 IIAARN NC(=O)c1ccc(Oc2ccc(C(=O)NOCc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000089787929 569163284 /nfs/dbraw/zinc/16/32/84/569163284.db2.gz XHUQKBFNFGCZDU-UHFFFAOYSA-N 0 0 430.382 4.458 50 0 IIAARN O=C(Nc1ccc2c[nH]nc2c1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000089793179 569164127 /nfs/dbraw/zinc/16/41/27/569164127.db2.gz ZOMRHXBJCKNZOD-UHFFFAOYSA-N 0 0 444.875 4.409 50 0 IIAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)N1CCN(c2ccccc2)CC1 ZINC000016848957 569164353 /nfs/dbraw/zinc/16/43/53/569164353.db2.gz SLNRVLQRUXXPDL-UHFFFAOYSA-N 0 0 435.553 4.069 50 0 IIAARN O=C(c1cnoc1-c1ccc(Cl)s1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000089800225 569164921 /nfs/dbraw/zinc/16/49/21/569164921.db2.gz DRAWQPMAUIWLCF-UHFFFAOYSA-N 0 0 429.885 4.212 50 0 IIAARN O=S1(=O)CCC(CN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)CC1 ZINC000089821259 569165244 /nfs/dbraw/zinc/16/52/44/569165244.db2.gz CQZWMMWVYIMRSR-UHFFFAOYSA-N 0 0 439.046 4.011 50 0 IIAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904484 569167087 /nfs/dbraw/zinc/16/70/87/569167087.db2.gz MBQPGPZUXLWCPU-ZMZPIMSZSA-N 0 0 430.291 4.342 50 0 IIAARN CCC(=O)c1cc(C(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)ccc1F ZINC000089941794 569168410 /nfs/dbraw/zinc/16/84/10/569168410.db2.gz APVAMYZGFAZLKL-QGZVFWFLSA-N 0 0 436.277 4.215 50 0 IIAARN CC[C@H](NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C)c1noc(C)n1 ZINC000089948022 569168570 /nfs/dbraw/zinc/16/85/70/569168570.db2.gz SVWXDEWIPPVKCI-AWEZNQCLSA-N 0 0 433.310 4.122 50 0 IIAARN CCNC(=O)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)nc2ccccc21 ZINC000089977486 569169476 /nfs/dbraw/zinc/16/94/76/569169476.db2.gz ZVNYRLTYWGGIQZ-UHFFFAOYSA-N 0 0 435.509 4.057 50 0 IIAARN O=C(CCc1c(F)cccc1Cl)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983224 569170120 /nfs/dbraw/zinc/17/01/20/569170120.db2.gz AFJIEBFRQNXONY-MRXNPFEDSA-N 0 0 427.900 4.016 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000017011361 569170294 /nfs/dbraw/zinc/17/02/94/569170294.db2.gz KGSWODNLUCGLAM-UHFFFAOYSA-N 0 0 442.562 4.459 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4OC)ncn3)C[C@@H]2C)cc1 ZINC000037356394 569172149 /nfs/dbraw/zinc/17/21/49/569172149.db2.gz VUYZOBWOKLXLLW-IBGZPJMESA-N 0 0 446.551 4.499 50 0 IIAARN CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017112991 569174131 /nfs/dbraw/zinc/17/41/31/569174131.db2.gz BOZNBEUTTDFEAM-UHFFFAOYSA-N 0 0 437.359 4.185 50 0 IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@H]1CCCO1)nc2-c1ccc(Cl)cc1 ZINC000037357679 569174746 /nfs/dbraw/zinc/17/47/46/569174746.db2.gz PWZMMTGGGBJZSD-GOSISDBHSA-N 0 0 434.931 4.368 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)Nc1cccc(F)c1 ZINC000017155094 569175029 /nfs/dbraw/zinc/17/50/29/569175029.db2.gz UHBVQXWBSRVYKD-UHFFFAOYSA-N 0 0 429.864 4.044 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000001063251 569176583 /nfs/dbraw/zinc/17/65/83/569176583.db2.gz ADCZCKRDAYNPCN-OAHLLOKOSA-N 0 0 430.526 4.282 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000001059514 569176627 /nfs/dbraw/zinc/17/66/27/569176627.db2.gz MLFMSYSBXWUXJW-UHFFFAOYSA-N 0 0 440.521 4.374 50 0 IIAARN CCCCNc1sc(S(=O)(=O)CCC)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000017270426 569176952 /nfs/dbraw/zinc/17/69/52/569176952.db2.gz PNQMBUKQTZSUPS-UHFFFAOYSA-N 0 0 437.008 4.025 50 0 IIAARN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/N=C(c4ccccc4F)OC3=O)c2)cc1 ZINC000002822786 569177472 /nfs/dbraw/zinc/17/74/72/569177472.db2.gz TVCRJJURTRDUOP-KGENOOAVSA-N 0 0 437.448 4.246 50 0 IIAARN Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl ZINC000027107134 569177688 /nfs/dbraw/zinc/17/76/88/569177688.db2.gz YTSVICHZSUTWPD-UHFFFAOYSA-N 0 0 434.367 4.017 50 0 IIAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002094537 569179181 /nfs/dbraw/zinc/17/91/81/569179181.db2.gz IFDCOPCUEPYTRF-IBGZPJMESA-N 0 0 441.505 4.055 50 0 biogenic IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000000863290 569180364 /nfs/dbraw/zinc/18/03/64/569180364.db2.gz XXGGSKRLQYHNLW-UHFFFAOYSA-N 0 0 429.505 4.263 50 0 IIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)c1 ZINC000002106284 569181231 /nfs/dbraw/zinc/18/12/31/569181231.db2.gz XTLADFSUJOHWKD-RPLLCQBOSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N12 ZINC000002111619 569181970 /nfs/dbraw/zinc/18/19/70/569181970.db2.gz INHSXHCUPIJEBK-BKMJKUGQSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002118801 569182677 /nfs/dbraw/zinc/18/26/77/569182677.db2.gz SGGLOEQDPJXEGS-OFVILXPXSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN CCOC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000002983391 569186034 /nfs/dbraw/zinc/18/60/34/569186034.db2.gz NXXQKZWDSKDXTQ-VIFPVBQESA-N 0 0 449.585 4.178 50 0 IIAARN O=C1CN(C2CCCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002156855 569187544 /nfs/dbraw/zinc/18/75/44/569187544.db2.gz JIGWRQCINBYVKD-QPPBQGQZSA-N 0 0 433.939 4.449 50 0 biogenic IIAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002156852 569187596 /nfs/dbraw/zinc/18/75/96/569187596.db2.gz JIGWRQCINBYVKD-URXFXBBRSA-N 0 0 433.939 4.449 50 0 biogenic IIAARN COc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000002195250 569191351 /nfs/dbraw/zinc/19/13/51/569191351.db2.gz NFVRPAFARGTNHY-UHFFFAOYSA-N 0 0 430.504 4.237 50 0 IIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(C)c1 ZINC000037399060 569194274 /nfs/dbraw/zinc/19/42/74/569194274.db2.gz JAIXCVXOPNCSJH-UHFFFAOYSA-N 0 0 443.595 4.409 50 0 IIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000037399155 569194325 /nfs/dbraw/zinc/19/43/25/569194325.db2.gz VGUDEDGMPNSQSR-UHFFFAOYSA-N 0 0 444.554 4.495 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)NC(C)C)c2)cc1 ZINC000037400046 569194811 /nfs/dbraw/zinc/19/48/11/569194811.db2.gz JETIYJIOBUXWBM-UHFFFAOYSA-N 0 0 434.558 4.039 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1)C(C)C ZINC000037424318 569195553 /nfs/dbraw/zinc/19/55/53/569195553.db2.gz JHWVZBMEGVXWBM-FQEVSTJZSA-N 0 0 437.371 4.166 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000037524517 569198665 /nfs/dbraw/zinc/19/86/65/569198665.db2.gz VNYUJJDNVUSCGB-UHFFFAOYSA-N 0 0 449.501 4.294 50 0 IIAARN COc1cccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3sc(Br)cc32)c1 ZINC000037542741 569199410 /nfs/dbraw/zinc/19/94/10/569199410.db2.gz FARGPGZCUYBWDI-OAHLLOKOSA-N 0 0 449.370 4.431 50 0 IIAARN CN(C1CCCCC1)S(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037553396 569200375 /nfs/dbraw/zinc/20/03/75/569200375.db2.gz YMOOZXQHLAYDSE-PKTZIBPZSA-N 0 0 430.570 4.360 50 0 IIAARN O=C(c1ccco1)N1CCCN(c2nc3ccccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000037554419 569200376 /nfs/dbraw/zinc/20/03/76/569200376.db2.gz NBVLPGPEMANGTL-UHFFFAOYSA-N 0 0 444.539 4.271 50 0 IIAARN O=C(C1CC1)N1CCCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)CC1 ZINC000037554428 569200463 /nfs/dbraw/zinc/20/04/63/569200463.db2.gz UWSRSDRWKNAUPC-UHFFFAOYSA-N 0 0 446.942 4.047 50 0 IIAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559074 569200813 /nfs/dbraw/zinc/20/08/13/569200813.db2.gz ZAILSUPRNKIXRM-UHFFFAOYSA-N 0 0 434.515 4.316 50 0 IIAARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccco2)CC3)cc1 ZINC000037579408 569201623 /nfs/dbraw/zinc/20/16/23/569201623.db2.gz JURXFRRJVVBKKP-UHFFFAOYSA-N 0 0 434.496 4.059 50 0 IIAARN COc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2C)CC3)cc1 ZINC000037580396 569201855 /nfs/dbraw/zinc/20/18/55/569201855.db2.gz PQFDLERGTFRJRP-UHFFFAOYSA-N 0 0 444.535 4.385 50 0 IIAARN COc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2)CC3)cc1 ZINC000037580394 569201884 /nfs/dbraw/zinc/20/18/84/569201884.db2.gz YUXZJCKMXJNUNO-UHFFFAOYSA-N 0 0 430.508 4.076 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)Cc1cccs1 ZINC000037623621 569203332 /nfs/dbraw/zinc/20/33/32/569203332.db2.gz GWNNVHKFYYGABJ-OAHLLOKOSA-N 0 0 428.945 4.264 50 0 IIAARN O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2I)s1 ZINC000027496664 569215797 /nfs/dbraw/zinc/21/57/97/569215797.db2.gz IBWJZCLLFGASSN-UHFFFAOYSA-N 0 0 435.290 4.381 50 0 IIAARN Cc1cc(=O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3cccs3)C2)c([O-])o1 ZINC000198413188 569209312 /nfs/dbraw/zinc/20/93/12/569209312.db2.gz OTNFOGWNFFCZEI-QGZVFWFLSA-N 0 0 446.488 4.278 50 0 IIAARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000003668224 569212029 /nfs/dbraw/zinc/21/20/29/569212029.db2.gz KMYRIJVWQZIYOL-UHFFFAOYSA-N 0 0 435.204 4.148 50 0 IIAARN COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCCO3 ZINC000002691255 569212656 /nfs/dbraw/zinc/21/26/56/569212656.db2.gz IOXPXJKBLNMNBB-UHFFFAOYSA-N 0 0 427.456 4.061 50 0 IIAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccccc1OC ZINC000002722441 569212721 /nfs/dbraw/zinc/21/27/21/569212721.db2.gz HEBNEEHZIKBFOG-UHFFFAOYSA-N 0 0 429.561 4.190 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002249619 569214913 /nfs/dbraw/zinc/21/49/13/569214913.db2.gz QJUCKFOPAKMTNS-ZBFHGGJFSA-N 0 0 443.352 4.222 50 0 IIAARN O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000001323860 569256479 /nfs/dbraw/zinc/25/64/79/569256479.db2.gz AOGBWACLTOWOBW-UHFFFAOYSA-N 0 0 446.406 4.307 50 0 IIAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CC=C(c3ccccc3)CC1)C2)c1ccco1 ZINC000012190877 569256582 /nfs/dbraw/zinc/25/65/82/569256582.db2.gz UYODOQZISFFDIA-QGZVFWFLSA-N 0 0 447.516 4.049 50 0 IIAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000027527469 569263187 /nfs/dbraw/zinc/26/31/87/569263187.db2.gz KDLBVXUBGDRZFC-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)c1 ZINC000027527620 569263342 /nfs/dbraw/zinc/26/33/42/569263342.db2.gz TYWCEZJZKFQWPF-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000253395422 569264543 /nfs/dbraw/zinc/26/45/43/569264543.db2.gz YGEBXSCWBYHBNN-XZOQPEGZSA-N 0 0 434.536 4.020 50 0 IIAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@H](c1cccc(Cl)c1)CC(=O)O3 ZINC000253399992 569264792 /nfs/dbraw/zinc/26/47/92/569264792.db2.gz DNQJTNCUYYQGQG-SFHVURJKSA-N 0 0 439.895 4.127 50 0 biogenic IIAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000253407800 569265459 /nfs/dbraw/zinc/26/54/59/569265459.db2.gz KEVNEHMMUMZQQG-VXKWHMMOSA-N 0 0 444.535 4.300 50 0 biogenic IIAARN COc1cccc([C@@H](O)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000253426112 569267348 /nfs/dbraw/zinc/26/73/48/569267348.db2.gz ILBKZMYMNCDOJA-SFTDATJTSA-N 0 0 442.556 4.137 50 0 IIAARN CCCCOc1ccc(-n2c(N)c(C(=O)NCCCOC)c3nc4ccccc4nc32)cc1 ZINC000002301151 569271366 /nfs/dbraw/zinc/27/13/66/569271366.db2.gz PUTQLIBFZPNFSI-UHFFFAOYSA-N 0 0 447.539 4.101 50 0 IIAARN COC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002319078 569273419 /nfs/dbraw/zinc/27/34/19/569273419.db2.gz LCGZSSILLKJMIT-UHFFFAOYSA-N 0 0 430.281 4.208 50 0 IIAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@H](CC)c3cccs3)C2)no1 ZINC000225236123 569274706 /nfs/dbraw/zinc/27/47/06/569274706.db2.gz OZMDAFYPDRZWDA-NVXWUHKLSA-N 0 0 425.558 4.239 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002344130 569275332 /nfs/dbraw/zinc/27/53/32/569275332.db2.gz CCJQJTSLOBVWFU-QFIPXVFZSA-N 0 0 443.430 4.464 50 0 IIAARN Cc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000002345443 569281090 /nfs/dbraw/zinc/28/10/90/569281090.db2.gz LEUZBHDKQJSUAD-UHFFFAOYSA-N 0 0 429.856 4.367 50 0 IIAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002349129 569282015 /nfs/dbraw/zinc/28/20/15/569282015.db2.gz WWSXJKRRHTZXPH-UHFFFAOYSA-N 0 0 430.464 4.374 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002350450 569282692 /nfs/dbraw/zinc/28/26/92/569282692.db2.gz JFIVWQSSVKQIJE-UHFFFAOYSA-N 0 0 428.517 4.356 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000002360582 569286849 /nfs/dbraw/zinc/28/68/49/569286849.db2.gz ACHWGWKDDQUFBY-FXSPECFOSA-N 0 0 444.487 4.145 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002362221 569287638 /nfs/dbraw/zinc/28/76/38/569287638.db2.gz NDDZUKLNQXNSNT-MJGOQNOKSA-N 0 0 443.551 4.097 50 0 IIAARN CC1(C)CC(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC000008926482 569292429 /nfs/dbraw/zinc/29/24/29/569292429.db2.gz VEIUFOGBXIUEAX-BBITVKMKSA-N 0 0 432.564 4.020 50 0 IIAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000002396807 569298450 /nfs/dbraw/zinc/29/84/50/569298450.db2.gz BHSLMUSTJMYIKR-UHFFFAOYSA-N 0 0 435.259 4.385 50 0 IIAARN Cc1cccc(S(=O)(=O)c2c(N)n(CCCOC(C)C)c3nc4ccccc4nc32)c1 ZINC000002406819 569300243 /nfs/dbraw/zinc/30/02/43/569300243.db2.gz DVPSUUMRWALBMC-UHFFFAOYSA-N 0 0 438.553 4.123 50 0 IIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002418300 569301580 /nfs/dbraw/zinc/30/15/80/569301580.db2.gz BOSWZMAUWZBILI-IAGOWNOFSA-N 0 0 442.306 4.385 50 0 IIAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)NC[C@H]3CCCO3)c2c2c1CCC2 ZINC000002425441 569302543 /nfs/dbraw/zinc/30/25/43/569302543.db2.gz FZACMAHOURTVPT-CYBMUJFWSA-N 0 0 442.610 4.239 50 0 IIAARN COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nnc(C)s1 ZINC000002442004 569304241 /nfs/dbraw/zinc/30/42/41/569304241.db2.gz CMTSEWACTOAXTI-KRWDZBQOSA-N 0 0 439.880 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436.987 4.097 50 0 IIAARN CCOCc1cccc(CNC(=O)c2ncc(Br)cc2Br)c1 ZINC000095939913 569375274 /nfs/dbraw/zinc/37/52/74/569375274.db2.gz TUYNSPMLZIJQII-UHFFFAOYSA-N 0 0 428.124 4.073 50 0 IIAARN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@H](C(=O)N(C)C)c1ccccc1 ZINC000095962737 569377113 /nfs/dbraw/zinc/37/71/13/569377113.db2.gz CPINLPOYENGMNE-KUHUBIRLSA-N 0 0 432.314 4.031 50 0 IIAARN CCn1c(SCCNC(=O)c2cccnc2Oc2ccccc2)nnc1-c1ccco1 ZINC000095971870 569377477 /nfs/dbraw/zinc/37/74/77/569377477.db2.gz BIWJGZHRKMUFEN-UHFFFAOYSA-N 0 0 435.509 4.267 50 0 IIAARN CCc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nc(-c2c(F)cccc2F)cs1 ZINC000096011106 569379802 /nfs/dbraw/zinc/37/98/02/569379802.db2.gz XELNEWCKMSXSKG-UHFFFAOYSA-N 0 0 437.489 4.411 50 0 IIAARN CCNC(=O)c1ccc(Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(Cl)c2)cc1 ZINC000096095958 569381126 /nfs/dbraw/zinc/38/11/26/569381126.db2.gz BSOWXCCEEOMOPT-LVWGJNHUSA-N 0 0 427.957 4.359 50 0 IIAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096114318 569382745 /nfs/dbraw/zinc/38/27/45/569382745.db2.gz DIPKETFSIRQTSN-REWPJTCUSA-N 0 0 427.412 4.053 50 0 biogenic IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2C)cc(=O)c1O ZINC000096116030 569383501 /nfs/dbraw/zinc/38/35/01/569383501.db2.gz YOBDCVSYKKEJJN-SFHVURJKSA-N 0 0 426.490 4.347 50 0 biogenic IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118425 569384463 /nfs/dbraw/zinc/38/44/63/569384463.db2.gz LYHJUYNCHQAVPG-MEDUHNTESA-N 0 0 425.913 4.286 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119650 569384695 /nfs/dbraw/zinc/38/46/95/569384695.db2.gz LKONKWRJUSXRNP-UHFFFAOYSA-N 0 0 440.912 4.485 50 0 IIAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)cc1 ZINC000096121830 569385140 /nfs/dbraw/zinc/38/51/40/569385140.db2.gz BERKKDHBDKQMKO-UHFFFAOYSA-N 0 0 433.595 4.033 50 0 IIAARN CC(C)Cn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000096125418 569385661 /nfs/dbraw/zinc/38/56/61/569385661.db2.gz NRVQMMQITRIHNM-KRWDZBQOSA-N 0 0 432.977 4.060 50 0 IIAARN CCCn1c(C(=O)NCCOC)cc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000096276474 569388520 /nfs/dbraw/zinc/38/85/20/569388520.db2.gz YANITXVSKSFRJJ-UHFFFAOYSA-N 0 0 443.931 4.098 50 0 IIAARN O=C(NCc1ccco1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096279607 569389474 /nfs/dbraw/zinc/38/94/74/569389474.db2.gz GFFCTWMKBLZTPD-GOSISDBHSA-N 0 0 436.430 4.116 50 0 IIAARN Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2C(C)C)cc1 ZINC000096289381 569390679 /nfs/dbraw/zinc/39/06/79/569390679.db2.gz VXLIVHUMMMEQOG-UHFFFAOYSA-N 0 0 449.624 4.379 50 0 IIAARN O=C(c1ccco1)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)CC1CC1 ZINC000096291355 569391120 /nfs/dbraw/zinc/39/11/20/569391120.db2.gz GQYPHHAOUNORLY-UHFFFAOYSA-N 0 0 429.469 4.239 50 0 IIAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)CC(C)C ZINC000096294663 569391803 /nfs/dbraw/zinc/39/18/03/569391803.db2.gz YKBNTIDHMBAZPL-UHFFFAOYSA-N 0 0 439.961 4.047 50 0 IIAARN COc1cccc(-c2nnc(SCc3cccc(C(N)=O)c3)n2-c2ccccc2F)c1 ZINC000096294760 569391903 /nfs/dbraw/zinc/39/19/03/569391903.db2.gz ZQNUUYRRFLXOQG-UHFFFAOYSA-N 0 0 434.496 4.473 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)ccn3n2)cc1 ZINC000096322242 569394517 /nfs/dbraw/zinc/39/45/17/569394517.db2.gz CHKWWHPSXSSQPZ-UHFFFAOYSA-N 0 0 441.491 4.222 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc(OC)c1 ZINC000096323142 569395108 /nfs/dbraw/zinc/39/51/08/569395108.db2.gz PEEMUFXQOFSEFU-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335895 569396676 /nfs/dbraw/zinc/39/66/76/569396676.db2.gz CLWCNVJZCRBONP-LJQANCHMSA-N 0 0 444.480 4.480 50 0 IIAARN Cc1[nH]nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)c1C ZINC000096341483 569396740 /nfs/dbraw/zinc/39/67/40/569396740.db2.gz NOVWMLVMRLHATL-UHFFFAOYSA-N 0 0 444.626 4.191 50 0 IIAARN CC(C)C(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 ZINC000096373140 569398040 /nfs/dbraw/zinc/39/80/40/569398040.db2.gz YMAITFZKENEPKI-SFHVURJKSA-N 0 0 436.581 4.026 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc(CCNC(=O)C4CCC4)cs3)C2)c1 ZINC000096373254 569398080 /nfs/dbraw/zinc/39/80/80/569398080.db2.gz FPJVAJYOVVZQHL-LJQANCHMSA-N 0 0 425.598 4.239 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386445 569398549 /nfs/dbraw/zinc/39/85/49/569398549.db2.gz LQKOJUHNGRZNAP-UHFFFAOYSA-N 0 0 430.936 4.192 50 0 IIAARN CC(C)[C@H](C)NC(=O)COC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000096401078 569400398 /nfs/dbraw/zinc/40/03/98/569400398.db2.gz XBIKNXSRQLQMKV-JYBLJSLWSA-N 0 0 437.565 4.377 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000096924936 569402448 /nfs/dbraw/zinc/40/24/48/569402448.db2.gz HMTASVQDFLQKID-OXJNMPFZSA-N 0 0 435.549 4.207 50 0 IIAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)NCCc4ccccc4)CC3)c(C)o2)cc1 ZINC000096865204 569402460 /nfs/dbraw/zinc/40/24/60/569402460.db2.gz VTLNYDKQSISPPH-UHFFFAOYSA-N 0 0 448.567 4.119 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1cccc(F)c1 ZINC000002459553 569403488 /nfs/dbraw/zinc/40/34/88/569403488.db2.gz LOJNXIDQYKBLKV-UHFFFAOYSA-N 0 0 447.944 4.404 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc(F)cc1F ZINC000002459483 569403500 /nfs/dbraw/zinc/40/35/00/569403500.db2.gz FLGZUUJKPBRCOE-UHFFFAOYSA-N 0 0 449.479 4.029 50 0 IIAARN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002484255 569405105 /nfs/dbraw/zinc/40/51/05/569405105.db2.gz BVQBXYQDGODMQG-UHFFFAOYSA-N 0 0 431.510 4.270 50 0 IIAARN C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)s1 ZINC000225684344 569406948 /nfs/dbraw/zinc/40/69/48/569406948.db2.gz WFVFHQSRHVKKSC-ZDUSSCGKSA-N 0 0 449.516 4.490 50 0 IIAARN O=S(=O)(c1ccccc1Br)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225706638 569407264 /nfs/dbraw/zinc/40/72/64/569407264.db2.gz NOBAYUWOHLAXIB-UHFFFAOYSA-N 0 0 447.354 4.229 50 0 IIAARN O=C(Cc1ccccc1Br)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000225757395 569408148 /nfs/dbraw/zinc/40/81/48/569408148.db2.gz ZEFIARTUQQGCAL-UHFFFAOYSA-N 0 0 445.386 4.228 50 0 IIAARN O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000225757435 569408161 /nfs/dbraw/zinc/40/81/61/569408161.db2.gz CDJSLJXTCHVSIN-UHFFFAOYSA-N 0 0 434.487 4.485 50 0 IIAARN CCCCc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000670417853 569409855 /nfs/dbraw/zinc/40/98/55/569409855.db2.gz VILCFRIRXPXIAA-QFIPXVFZSA-N 0 0 441.597 4.478 50 0 IIAARN CCOc1ccc([C@H](NC(=O)CCc2nc(-c3ccncc3)no2)c2ccccc2)cc1 ZINC000028426589 569409900 /nfs/dbraw/zinc/40/99/00/569409900.db2.gz RKRYOXRQICVZQW-XMMPIXPASA-N 0 0 428.492 4.369 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCC1CCCCC1 ZINC000002619393 569410676 /nfs/dbraw/zinc/41/06/76/569410676.db2.gz YVWZPIKZERGSIH-UHFFFAOYSA-N 0 0 439.556 4.373 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000002622879 569411272 /nfs/dbraw/zinc/41/12/72/569411272.db2.gz XVPLXKXOMSLRPS-UHFFFAOYSA-N 0 0 436.533 4.316 50 0 IIAARN COCCn1c(S[C@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1cccc(C)c1 ZINC000002627758 569411830 /nfs/dbraw/zinc/41/18/30/569411830.db2.gz OGXYVXSCJXLIGP-GOSISDBHSA-N 0 0 436.581 4.360 50 0 IIAARN Cc1nc2sc3c(c2c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[C@H](C)C3 ZINC000002635388 569412865 /nfs/dbraw/zinc/41/28/65/569412865.db2.gz XDDLJLHRRXJYLB-NSHDSACASA-N 0 0 446.370 4.292 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002638436 569413233 /nfs/dbraw/zinc/41/32/33/569413233.db2.gz YZDQRFNUCUQSEL-JOCHJYFZSA-N 0 0 440.952 4.403 50 0 IIAARN COCc1c2ccccc2oc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000002650516 569414816 /nfs/dbraw/zinc/41/48/16/569414816.db2.gz KRPYKAPDTIHLGF-QGZVFWFLSA-N 0 0 425.481 4.216 50 0 IIAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)C1(c2cccc(F)c2)CCCC1 ZINC000002657789 569415621 /nfs/dbraw/zinc/41/56/21/569415621.db2.gz HCORHINUMYPFPP-UHFFFAOYSA-N 0 0 445.288 4.151 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002660369 569415994 /nfs/dbraw/zinc/41/59/94/569415994.db2.gz KRAWUEDELQSFII-UHFFFAOYSA-N 0 0 433.460 4.472 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 ZINC000002661763 569416180 /nfs/dbraw/zinc/41/61/80/569416180.db2.gz JOLAQTXNQDTOQJ-UHFFFAOYSA-N 0 0 431.536 4.127 50 0 IIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1 ZINC000002697037 569417266 /nfs/dbraw/zinc/41/72/66/569417266.db2.gz WCWXBMQPUXHQTD-UHFFFAOYSA-N 0 0 443.532 4.460 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)c1 ZINC000002718068 569418082 /nfs/dbraw/zinc/41/80/82/569418082.db2.gz VVIZDAVXZORUJY-UHFFFAOYSA-N 0 0 433.537 4.486 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2oc1-c1ccccc1 ZINC000002725881 569418620 /nfs/dbraw/zinc/41/86/20/569418620.db2.gz JEGQQPCTJDUJHA-GOSISDBHSA-N 0 0 427.456 4.338 50 0 IIAARN CCOc1cccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 ZINC000002764426 569420639 /nfs/dbraw/zinc/42/06/39/569420639.db2.gz JOOBOFAVKDCRNJ-UHFFFAOYSA-N 0 0 447.516 4.200 50 0 IIAARN CCN1C(=O)C(=Cc2ccc(COc3ccc(Br)cc3Cl)o2)NC1=S ZINC000002791610 569421754 /nfs/dbraw/zinc/42/17/54/569421754.db2.gz AUYYDVLXYJMISQ-ZSOIEALJSA-N 0 0 441.734 4.352 50 0 IIAARN COc1ccc2cc(OCc3nc4c5c(C)c(C(=O)N(C)C)sc5ncn4n3)ccc2c1 ZINC000002791735 569421977 /nfs/dbraw/zinc/42/19/77/569421977.db2.gz CVNMMEQDKXPGRR-UHFFFAOYSA-N 0 0 447.520 4.090 50 0 IIAARN Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000029012843 569424482 /nfs/dbraw/zinc/42/44/82/569424482.db2.gz DZKOMZXFSPTMQU-UKRRQHHQSA-N 0 0 446.429 4.017 50 0 IIAARN CCOCCn1cnc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1=O ZINC000002923251 569425506 /nfs/dbraw/zinc/42/55/06/569425506.db2.gz VJZZPPVONZDRDF-UHFFFAOYSA-N 0 0 425.432 4.074 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)no1 ZINC000002925221 569425637 /nfs/dbraw/zinc/42/56/37/569425637.db2.gz AUOFENYUYGFZBT-UHFFFAOYSA-N 0 0 426.523 4.091 50 0 IIAARN COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3nc4c(s3)CCCC4)CC2)nn1 ZINC000056903893 569427562 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O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cc(Cl)cc(Cl)c1 ZINC000031812651 569457865 /nfs/dbraw/zinc/45/78/65/569457865.db2.gz IJXIUSLHEAXFLW-CQSZACIVSA-N 0 0 436.686 4.427 50 0 IIAARN COc1cc2ncn(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC ZINC000032073005 569459283 /nfs/dbraw/zinc/45/92/83/569459283.db2.gz FBDVLIOAINCUJM-UHFFFAOYSA-N 0 0 445.475 4.235 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2Cl)C12CCCC2 ZINC000032094036 569459784 /nfs/dbraw/zinc/45/97/84/569459784.db2.gz OMLJXCNYVIUNSP-OAQYLSRUSA-N 0 0 426.944 4.155 50 0 IIAARN CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032102531 569460122 /nfs/dbraw/zinc/46/01/22/569460122.db2.gz DYUMXZDTLNZUIO-OAQYLSRUSA-N 0 0 435.896 4.390 50 0 IIAARN Cc1sc2c(c1C)c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccc(Cl)cc1 ZINC000032104773 569460219 /nfs/dbraw/zinc/46/02/19/569460219.db2.gz QNCXZGGMWKGHJW-UHFFFAOYSA-N 0 0 449.923 4.321 50 0 IIAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)c1 ZINC000032105913 569460258 /nfs/dbraw/zinc/46/02/58/569460258.db2.gz XWNMYJNKPCXYGU-KRWDZBQOSA-N 0 0 426.860 4.392 50 0 IIAARN Cn1cc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cn1 ZINC000059253982 569460654 /nfs/dbraw/zinc/46/06/54/569460654.db2.gz UAUKFBVTPZRSDZ-RMKNXTFCSA-N 0 0 432.377 4.482 50 0 IIAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N(Cc1ccc(F)cc1)C1CC1 ZINC000032414788 569461568 /nfs/dbraw/zinc/46/15/68/569461568.db2.gz UGHDRHUMRJZKFP-OAHLLOKOSA-N 0 0 431.305 4.132 50 0 IIAARN CN(CCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccccc1 ZINC000032424647 569461644 /nfs/dbraw/zinc/46/16/44/569461644.db2.gz NYHNMULEJPKKFP-UHFFFAOYSA-N 0 0 434.989 4.069 50 0 IIAARN Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C ZINC000032487673 569461848 /nfs/dbraw/zinc/46/18/48/569461848.db2.gz PRKOPHWMWGIPNR-HNNXBMFYSA-N 0 0 441.881 4.487 50 0 IIAARN Cc1cc([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546165 569463473 /nfs/dbraw/zinc/46/34/73/569463473.db2.gz LVDVXYLJJRMDDW-HXUWFJFHSA-N 0 0 426.494 4.052 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Cc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(C(C)C)cc3)cc2c1=O ZINC000067261035 569466488 /nfs/dbraw/zinc/46/64/88/569466488.db2.gz FQQLNFSMMLUCDT-UHFFFAOYSA-N 0 0 428.536 4.301 50 0 IIAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1F ZINC000067293109 569467793 /nfs/dbraw/zinc/46/77/93/569467793.db2.gz OGWZGSRUWOPHCL-ZLXSMEDCSA-N 0 0 430.863 4.375 50 0 IIAARN CCOC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298076 569468078 /nfs/dbraw/zinc/46/80/78/569468078.db2.gz WSNJUTYQMCASRY-GFMRDNFCSA-N 0 0 435.461 4.256 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298741 569468098 /nfs/dbraw/zinc/46/80/98/569468098.db2.gz DZWUQZGYSWQAIK-IDICYNCBSA-N 0 0 448.397 4.178 50 0 IIAARN CCN(CC)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c(C)c1 ZINC000067300102 569468180 /nfs/dbraw/zinc/46/81/80/569468180.db2.gz UEKSVHUNNWKEPS-UHFFFAOYSA-N 0 0 441.601 4.499 50 0 IIAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)N3CCCc4ccccc43)c3ccccc23)n1 ZINC000067317740 569468480 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DLABMWUSQFWCPX-RTBURBONSA-N 0 0 443.960 4.290 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 ZINC000009239499 569514581 /nfs/dbraw/zinc/51/45/81/569514581.db2.gz GMUASSSSLOKKJA-PMACEKPBSA-N 0 0 441.532 4.166 50 0 IIAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000009244383 569515066 /nfs/dbraw/zinc/51/50/66/569515066.db2.gz WWQGUVCUKFJWGT-SANMLTNESA-N 0 0 428.488 4.098 50 0 IIAARN O=C(NCc1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009244517 569515117 /nfs/dbraw/zinc/51/51/17/569515117.db2.gz MZJXNNZOJDZUDO-UHFFFAOYSA-N 0 0 436.320 4.119 50 0 IIAARN O=C(CN1CCSC1=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000009244645 569515119 /nfs/dbraw/zinc/51/51/19/569515119.db2.gz UZLZDJVVGOWEEM-KRWDZBQOSA-N 0 0 438.427 4.097 50 0 IIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000009245086 569515232 /nfs/dbraw/zinc/51/52/32/569515232.db2.gz DPWMNJFWFXVIDV-UHFFFAOYSA-N 0 0 440.546 4.406 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ncc(Cl)c(Cl)c3Cl)sc2c1 ZINC000009245588 569515357 /nfs/dbraw/zinc/51/53/57/569515357.db2.gz WOIJOCZSGRIKBS-UHFFFAOYSA-N 0 0 436.729 4.307 50 0 IIAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009245796 569515437 /nfs/dbraw/zinc/51/54/37/569515437.db2.gz YIRAUNNAFYJWOQ-RUZDIDTESA-N 0 0 432.520 4.323 50 0 IIAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2cc(F)cc(F)c2)cc1 ZINC000009249880 569515550 /nfs/dbraw/zinc/51/55/50/569515550.db2.gz BCLKLSUXCAPOEZ-QGZVFWFLSA-N 0 0 427.476 4.133 50 0 IIAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1 ZINC000009249857 569515559 /nfs/dbraw/zinc/51/55/59/569515559.db2.gz QOCOTNNWRSBAPV-LJQANCHMSA-N 0 0 435.549 4.334 50 0 IIAARN C=C1C(NCCc2ccc(OCC)c(OCC)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000009251714 569515898 /nfs/dbraw/zinc/51/58/98/569515898.db2.gz MLMJBCYVRRXUHE-UHFFFAOYSA-N 0 0 442.581 4.406 50 0 IIAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1cccnc1 ZINC000009253816 569516272 /nfs/dbraw/zinc/51/62/72/569516272.db2.gz ITWUXPJUDOIXKI-JOCHJYFZSA-N 0 0 437.459 4.398 50 0 IIAARN O=C(c1ccccc1Cl)N1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000009254698 569516416 /nfs/dbraw/zinc/51/64/16/569516416.db2.gz OFHVSVNEPQCANY-UHFFFAOYSA-N 0 0 437.952 4.484 50 0 IIAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000009254837 569516417 /nfs/dbraw/zinc/51/64/17/569516417.db2.gz TZARENXXOVYITD-UHFFFAOYSA-N 0 0 432.476 4.476 50 0 IIAARN Cc1ccc(NC(=O)[C@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)cc1Cl ZINC000009255331 569516529 /nfs/dbraw/zinc/51/65/29/569516529.db2.gz PUSCAEKGGZRPKJ-IEBWSBKVSA-N 0 0 443.960 4.286 50 0 IIAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000009261975 569517010 /nfs/dbraw/zinc/51/70/10/569517010.db2.gz GWDRFNARNTUTBP-UHFFFAOYSA-N 0 0 449.511 4.019 50 0 IIAARN COc1cccc2cc(-c3nnc(S[C@@H](C)C(=O)Nc4nc(C)cs4)n3C)oc21 ZINC000009264051 569517295 /nfs/dbraw/zinc/51/72/95/569517295.db2.gz BXADCSIMDAOPHC-NSHDSACASA-N 0 0 429.527 4.121 50 0 IIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000009268100 569517534 /nfs/dbraw/zinc/51/75/34/569517534.db2.gz JHWYWIZTTPOPFH-UHFFFAOYSA-N 0 0 439.515 4.445 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H](C)S2 ZINC000009276332 569518345 /nfs/dbraw/zinc/51/83/45/569518345.db2.gz IYYWMXAEHFUARP-JTQLQIEISA-N 0 0 429.489 4.050 50 0 IIAARN C[C@H]1CCCC[C@H]1n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1 ZINC000009284726 569519141 /nfs/dbraw/zinc/51/91/41/569519141.db2.gz VLPZCWQGBGKWOC-WMLDXEAASA-N 0 0 438.582 4.453 50 0 IIAARN COc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCCC1=O)c2Sc1ccc(C)cc1 ZINC000009288439 569519369 /nfs/dbraw/zinc/51/93/69/569519369.db2.gz PWAIHRUWQZJCRO-UHFFFAOYSA-N 0 0 437.565 4.378 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295116 569520280 /nfs/dbraw/zinc/52/02/80/569520280.db2.gz ZTBGKUOZXAWPQL-NHCUHLMSSA-N 0 0 437.569 4.254 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCC2=CCCCC2)cc1 ZINC000009301295 569520706 /nfs/dbraw/zinc/52/07/06/569520706.db2.gz CZAFSJPSNCGVTP-GOSISDBHSA-N 0 0 425.554 4.441 50 0 IIAARN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)c1ccc(OC)c(OC)c1 ZINC000009303029 569520976 /nfs/dbraw/zinc/52/09/76/569520976.db2.gz GHFQZSWERANADW-UHFFFAOYSA-N 0 0 441.553 4.486 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1OC ZINC000009304155 569521145 /nfs/dbraw/zinc/52/11/45/569521145.db2.gz JEJBAPYGXROECP-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN COc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1OC ZINC000009318303 569522399 /nfs/dbraw/zinc/52/23/99/569522399.db2.gz DFQSPETWIVFWFU-CYBMUJFWSA-N 0 0 433.386 4.293 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Nc2ccccc2)cc1 ZINC000009318064 569522420 /nfs/dbraw/zinc/52/24/20/569522420.db2.gz LBOOIPZEXMNVEO-UHFFFAOYSA-N 0 0 432.505 4.011 50 0 IIAARN CC(=O)c1sc2[nH]c(CSc3nnc(C4CC4)n3-c3ccccc3)nc(=O)c2c1C ZINC000009338566 569523639 /nfs/dbraw/zinc/52/36/39/569523639.db2.gz OCOZSOGZUQBUNQ-UHFFFAOYSA-N 0 0 437.550 4.246 50 0 IIAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)cc1 ZINC000009349054 569524637 /nfs/dbraw/zinc/52/46/37/569524637.db2.gz RJVMFOKPYFKGPF-UPVQGACJSA-N 0 0 449.532 4.309 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1 ZINC000009349115 569524659 /nfs/dbraw/zinc/52/46/59/569524659.db2.gz FUWLJRPHBSZLSE-UHFFFAOYSA-N 0 0 435.505 4.135 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(SCc2cn3cc(Cl)ccc3n2)s1 ZINC000009350344 569524800 /nfs/dbraw/zinc/52/48/00/569524800.db2.gz HSXBTAZOIULWBS-UHFFFAOYSA-N 0 0 428.008 4.092 50 0 IIAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009349904 569524831 /nfs/dbraw/zinc/52/48/31/569524831.db2.gz QXTUNFYMOMCPMZ-UHFFFAOYSA-N 0 0 449.458 4.366 50 0 IIAARN O=C(CSc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2)N1CCCC1 ZINC000009351179 569524909 /nfs/dbraw/zinc/52/49/09/569524909.db2.gz XNPZVKKZRZVZIJ-UHFFFAOYSA-N 0 0 447.940 4.278 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccc(Br)cc2)s1)Nc1ccccc1 ZINC000009364033 569526024 /nfs/dbraw/zinc/52/60/24/569526024.db2.gz VUQIPYOBMHKEBA-UHFFFAOYSA-N 0 0 449.355 4.284 50 0 IIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000009368938 569526640 /nfs/dbraw/zinc/52/66/40/569526640.db2.gz VXPGZIRPXVEFNW-LJQANCHMSA-N 0 0 440.594 4.307 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1C ZINC000009375953 569527253 /nfs/dbraw/zinc/52/72/53/569527253.db2.gz DKTAIQSLQBIQIJ-MRDQGFSESA-N 0 0 447.535 4.115 50 0 IIAARN Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1cccs1 ZINC000009378553 569527668 /nfs/dbraw/zinc/52/76/68/569527668.db2.gz WCLRDYXCBHCVBB-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)C(CC)CC ZINC000009381645 569528142 /nfs/dbraw/zinc/52/81/42/569528142.db2.gz FDFHXKVHPOXEQF-UHFFFAOYSA-N 0 0 443.525 4.007 50 0 IIAARN COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1c[nH]c2ccccc21 ZINC000009382313 569528289 /nfs/dbraw/zinc/52/82/89/569528289.db2.gz AWRDQPMBQWWFRP-UHFFFAOYSA-N 0 0 435.553 4.420 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2CCOC)cc1 ZINC000009382315 569528297 /nfs/dbraw/zinc/52/82/97/569528297.db2.gz GVVPWXLWGIXFIT-UHFFFAOYSA-N 0 0 435.553 4.366 50 0 IIAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000009384716 569528390 /nfs/dbraw/zinc/52/83/90/569528390.db2.gz JDZWRAQJWADVOK-UHFFFAOYSA-N 0 0 441.866 4.204 50 0 IIAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009389408 569528582 /nfs/dbraw/zinc/52/85/82/569528582.db2.gz IFMYZCJOXYCUBE-UHFFFAOYSA-N 0 0 429.476 4.083 50 0 IIAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(F)cc1 ZINC000009390812 569528742 /nfs/dbraw/zinc/52/87/42/569528742.db2.gz ZLLJVNLVPVYDDX-UHFFFAOYSA-N 0 0 428.533 4.448 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)C3CCCCC3)[C@@H](c3ccccc3F)C2)c1 ZINC000009392220 569529072 /nfs/dbraw/zinc/52/90/72/569529072.db2.gz FGEHRLPBCLHJCD-JOCHJYFZSA-N 0 0 443.544 4.455 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)c2c(=O)[nH]c(SCc3ccccc3)nc2N1 ZINC000009393861 569529125 /nfs/dbraw/zinc/52/91/25/569529125.db2.gz BFPPHRRUDKQODA-IBGZPJMESA-N 0 0 448.548 4.240 50 0 IIAARN O=c1c2nccnc2nc(SCc2ccc(F)cc2)n1CCc1c[nH]c2ccccc12 ZINC000009405276 569529816 /nfs/dbraw/zinc/52/98/16/569529816.db2.gz XQKQLKRZJZYRCH-UHFFFAOYSA-N 0 0 431.496 4.342 50 0 IIAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)Nc2ccc(F)cc2)c1C ZINC000009408576 569530652 /nfs/dbraw/zinc/53/06/52/569530652.db2.gz AYHXTGLGLFFIRW-UHFFFAOYSA-N 0 0 448.498 4.210 50 0 IIAARN CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000009409295 569530979 /nfs/dbraw/zinc/53/09/79/569530979.db2.gz SYCCGLVRBPBTFZ-XMMPIXPASA-N 0 0 435.524 4.279 50 0 IIAARN Cc1c(OCC(=O)N=c2[nH]c3ccccc3[nH]2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000009409975 569531192 /nfs/dbraw/zinc/53/11/92/569531192.db2.gz YVJVVYDYVXXSCU-UHFFFAOYSA-N 0 0 425.444 4.084 50 0 biogenic IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000009412803 569531672 /nfs/dbraw/zinc/53/16/72/569531672.db2.gz HLQAYICDVSFFDD-OXQOHEQNSA-N 0 0 430.595 4.217 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1Cc1cccs1 ZINC000009413194 569531716 /nfs/dbraw/zinc/53/17/16/569531716.db2.gz SBFIRUIOQSGNGT-VWLOTQADSA-N 0 0 449.576 4.341 50 0 IIAARN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2o1 ZINC000009414354 569532015 /nfs/dbraw/zinc/53/20/15/569532015.db2.gz JFNXNGPGBDCHAZ-QGZVFWFLSA-N 0 0 426.538 4.027 50 0 IIAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(CC)cc4)nn32)cc1 ZINC000009415235 569532152 /nfs/dbraw/zinc/53/21/52/569532152.db2.gz JQMOOZCRTAHDBB-UHFFFAOYSA-N 0 0 433.537 4.483 50 0 IIAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C(C)=O)cc4)nn32)cc1 ZINC000009415289 569532184 /nfs/dbraw/zinc/53/21/84/569532184.db2.gz XVQIWJGDPJWFOP-UHFFFAOYSA-N 0 0 447.520 4.123 50 0 IIAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)ccc4C)nn32)cc1OC ZINC000009415369 569532215 /nfs/dbraw/zinc/53/22/15/569532215.db2.gz FIOIUCCUIDMUPD-UHFFFAOYSA-N 0 0 449.536 4.156 50 0 IIAARN Cc1coc2cc3oc(=O)c(CC(=O)N4CCN(c5ccccc5F)CC4)c(C)c3cc12 ZINC000009423712 569532981 /nfs/dbraw/zinc/53/29/81/569532981.db2.gz KAKOXQJEZQUFDJ-UHFFFAOYSA-N 0 0 434.467 4.186 50 0 IIAARN O=C(CCc1ccccc1)NC(NC(=O)NCc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000009424102 569533111 /nfs/dbraw/zinc/53/31/11/569533111.db2.gz LRIQEDWPOMQEGT-UHFFFAOYSA-N 0 0 447.379 4.056 50 0 IIAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000009427354 569533380 /nfs/dbraw/zinc/53/33/80/569533380.db2.gz MOQYSXBBCXTCLG-UHFFFAOYSA-N 0 0 435.546 4.498 50 0 IIAARN CC1(C)C[C@@H]2c3cccc(C(=O)N4CCC5(CC4)OCCO5)c3C(=O)N2Cc2ccccc21 ZINC000009430426 569533950 /nfs/dbraw/zinc/53/39/50/569533950.db2.gz YWOAXNLMJCWMDG-JOCHJYFZSA-N 0 0 446.547 4.044 50 0 IIAARN COc1ccc(-c2noc(-c3cc4cc(Br)ccc4oc3=O)n2)cc1OC ZINC000009431160 569534084 /nfs/dbraw/zinc/53/40/84/569534084.db2.gz ITXIZSYYROCHLR-UHFFFAOYSA-N 0 0 429.226 4.290 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N(C)c4cccc(Cl)c4)C3)n2)cc1 ZINC000009431636 569534273 /nfs/dbraw/zinc/53/42/73/569534273.db2.gz NCZDXVMIBGWKFI-INIZCTEOSA-N 0 0 426.904 4.278 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000009432684 569534402 /nfs/dbraw/zinc/53/44/02/569534402.db2.gz QWEAIUGQZOZPTI-WOJBJXKFSA-N 0 0 426.563 4.053 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000009435037 569534743 /nfs/dbraw/zinc/53/47/43/569534743.db2.gz DSHHYNVKHNURKP-UHFFFAOYSA-N 0 0 436.942 4.250 50 0 IIAARN O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1Cl ZINC000009442045 569535483 /nfs/dbraw/zinc/53/54/83/569535483.db2.gz LJDGMZXMLAUNET-UHFFFAOYSA-N 0 0 440.858 4.058 50 0 IIAARN Cc1cc2c(cc3c(SCC(=O)Nc4ccc(Br)cc4F)nncn23)o1 ZINC000009442673 569535582 /nfs/dbraw/zinc/53/55/82/569535582.db2.gz SUHMQDOWRITZJT-UHFFFAOYSA-N 0 0 435.278 4.416 50 0 IIAARN CCc1nnc(SCC(=O)Nc2cc(OC)cc(OC)c2)c2cc3oc(C)cc3n21 ZINC000009443032 569535672 /nfs/dbraw/zinc/53/56/72/569535672.db2.gz RDUYJHJVVWPGSR-UHFFFAOYSA-N 0 0 426.498 4.094 50 0 IIAARN Cn1c2ccccc2nc1-c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 ZINC000009446467 569535904 /nfs/dbraw/zinc/53/59/04/569535904.db2.gz MIXHZJMZBRJGPW-UHFFFAOYSA-N 0 0 434.459 4.438 50 0 IIAARN C[C@H](NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1cc2ccccc2o1 ZINC000009448975 569536182 /nfs/dbraw/zinc/53/61/82/569536182.db2.gz YXGBUFXAVNDHSU-DJJJIMSYSA-N 0 0 437.477 4.298 50 0 IIAARN CCOC(=O)c1sc2cccc(F)c2c1CNc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009464444 569537648 /nfs/dbraw/zinc/53/76/48/569537648.db2.gz POOJSWIOLVOXLO-UHFFFAOYSA-N 0 0 436.530 4.080 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C ZINC000009464403 569537657 /nfs/dbraw/zinc/53/76/57/569537657.db2.gz ZETAXTQJGRZZLI-UHFFFAOYSA-N 0 0 446.882 4.441 50 0 IIAARN CCCn1c(C)cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)c1C ZINC000009464821 569537810 /nfs/dbraw/zinc/53/78/10/569537810.db2.gz WDNWJAUKTRVTSU-FQEVSTJZSA-N 0 0 426.542 4.131 50 0 IIAARN CCn1c(SCC(=O)OCC(=O)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000009465173 569537919 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CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000012905951 523234107 /nfs/dbraw/zinc/23/41/07/523234107.db2.gz OVMVYWXHGCSHKT-CQSZACIVSA-N 0 0 437.930 4.048 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 ZINC000033499488 523241840 /nfs/dbraw/zinc/24/18/40/523241840.db2.gz ZUSTWDHPEGALFQ-SSZFMOIBSA-N 0 0 435.487 4.498 50 0 IIAARN CCn1c2c(nc(CCC(=O)Nc3cc(F)ccc3C)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021040603 523253974 /nfs/dbraw/zinc/25/39/74/523253974.db2.gz FBAIROCQHMEURZ-UHFFFAOYSA-N 0 0 447.514 4.238 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000012814335 523264212 /nfs/dbraw/zinc/26/42/12/523264212.db2.gz HIAQBEJTDHKXMA-WBAXXEDZSA-N 0 0 445.589 4.017 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2N)cc1 ZINC000013128362 523264665 /nfs/dbraw/zinc/26/46/65/523264665.db2.gz LHOAUXXVLGXRBM-MRXNPFEDSA-N 0 0 445.548 4.454 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(C)c3)C(C)C)n2)cc1OC ZINC000012843362 523284933 /nfs/dbraw/zinc/28/49/33/523284933.db2.gz GZFKTHKHTQCRFS-KRWDZBQOSA-N 0 0 439.512 4.267 50 0 IIAARN COCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015677047 523292733 /nfs/dbraw/zinc/29/27/33/523292733.db2.gz XFPOZOAWZORQJS-RUZDIDTESA-N 0 0 425.573 4.121 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4OC)C3)n2)cc1 ZINC000020530647 523297581 /nfs/dbraw/zinc/29/75/81/523297581.db2.gz XNCHPVHFRIFAKO-OAHLLOKOSA-N 0 0 442.903 4.262 50 0 IIAARN CC[C@H]1CN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)c2cc(Cl)ccc2O1 ZINC000021701972 523298559 /nfs/dbraw/zinc/29/85/59/523298559.db2.gz MVZFYCWBRHACAQ-ZDUSSCGKSA-N 0 0 425.919 4.126 50 0 IIAARN COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccc(OC)c2)cc1 ZINC000020992425 523319292 /nfs/dbraw/zinc/31/92/92/523319292.db2.gz ZPTPRCASTNEBHG-UHFFFAOYSA-N 0 0 438.553 4.056 50 0 IIAARN COc1ccc(C=CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC ZINC000035044653 523432359 /nfs/dbraw/zinc/43/23/59/523432359.db2.gz BSNWTFNZPREGIF-LUAWRHEFSA-N 0 0 448.500 4.425 50 0 IIAARN CCn1cc([C@@H](CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872189 523461820 /nfs/dbraw/zinc/46/18/20/523461820.db2.gz IFOGRCRLPAAIFU-QHCPKHFHSA-N 0 0 437.559 4.161 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc1OC ZINC000012566035 523472401 /nfs/dbraw/zinc/47/24/01/523472401.db2.gz SBUXFPJPYVUVKX-LCUIJRPUSA-N 0 0 431.448 4.338 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1 ZINC000012322493 523498797 /nfs/dbraw/zinc/49/87/97/523498797.db2.gz SYYROEMHELTXDY-UHFFFAOYSA-N 0 0 426.538 4.227 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000021418254 523521213 /nfs/dbraw/zinc/52/12/13/523521213.db2.gz XONNNJWWKYKQRK-UHFFFAOYSA-N 0 0 443.526 4.407 50 0 IIAARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012302346 523542142 /nfs/dbraw/zinc/54/21/42/523542142.db2.gz INFNPXPDHLHYCE-UHFFFAOYSA-N 0 0 431.496 4.066 50 0 IIAARN CN(Cc1nc2ccccc2s1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000012681623 523567658 /nfs/dbraw/zinc/56/76/58/523567658.db2.gz QHLDWHCTPNVXEO-UHFFFAOYSA-N 0 0 442.544 4.181 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)c3cccc(I)c3)CC2)cc1 ZINC000012740424 523574504 /nfs/dbraw/zinc/57/45/04/523574504.db2.gz IBWIHDABRFZQSR-UHFFFAOYSA-N 0 0 449.288 4.035 50 0 IIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)c(OC)c1 ZINC000021343528 523591275 /nfs/dbraw/zinc/59/12/75/523591275.db2.gz ZSOBDPCDISSOEH-HHHXNRCGSA-N 0 0 445.515 4.328 50 0 IIAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2CN(C2CCCCC2)C1=O ZINC000035883650 523606031 /nfs/dbraw/zinc/60/60/31/523606031.db2.gz KHJZOMQLGGNCGV-FQEVSTJZSA-N 0 0 436.508 4.500 50 0 IIAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1 ZINC000034807688 523643933 /nfs/dbraw/zinc/64/39/33/523643933.db2.gz NXCCFLKSKMQICL-UHFFFAOYSA-N 0 0 449.551 4.340 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035949388 523650922 /nfs/dbraw/zinc/65/09/22/523650922.db2.gz NPQVBBDPXYGJIK-VWLOTQADSA-N 0 0 447.579 4.256 50 0 IIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000035889786 523709998 /nfs/dbraw/zinc/70/99/98/523709998.db2.gz ITPNNWQINKGWBB-UHFFFAOYSA-N 0 0 444.579 4.188 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022784982 523719738 /nfs/dbraw/zinc/71/97/38/523719738.db2.gz VYXYANQBSOESGI-CPJSRVTESA-N 0 0 449.620 4.434 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)c(OC)c1 ZINC000022499464 523755888 /nfs/dbraw/zinc/75/58/88/523755888.db2.gz RDXQQBQLNPTPKG-UHFFFAOYSA-N 0 0 433.439 4.103 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000033014354 523758854 /nfs/dbraw/zinc/75/88/54/523758854.db2.gz QXDSTXPVTBRBBY-UHFFFAOYSA-N 0 0 449.536 4.025 50 0 IIAARN CC[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563438 523797422 /nfs/dbraw/zinc/79/74/22/523797422.db2.gz VQHLAJLVKFXDCO-LJQANCHMSA-N 0 0 437.450 4.067 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000034927781 523809586 /nfs/dbraw/zinc/80/95/86/523809586.db2.gz AJBQCBACPVHGMM-DNQXCXABSA-N 0 0 430.504 4.261 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(F)cc2)C12CCCCC2 ZINC000020720870 523810351 /nfs/dbraw/zinc/81/03/51/523810351.db2.gz MGZYXCIHPPDMFP-HSZRJFAPSA-N 0 0 438.543 4.073 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000035361683 523836903 /nfs/dbraw/zinc/83/69/03/523836903.db2.gz ISPBVNFUGUGWKL-HSZRJFAPSA-N 0 0 449.576 4.203 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1 ZINC000012753720 523874998 /nfs/dbraw/zinc/87/49/98/523874998.db2.gz SJAHRBUXNUSHEQ-DHIUTWEWSA-N 0 0 432.524 4.142 50 0 IIAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3NC(=S)N(CC)C(C)=C3C(=O)OC)c2)cc1 ZINC000035729705 523896497 /nfs/dbraw/zinc/89/64/97/523896497.db2.gz WQEHLDBOCHMATA-NRFANRHFSA-N 0 0 437.565 4.199 50 0 IIAARN COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)CCc3ccc(C)cc3)C2)cc1 ZINC000015072366 523897216 /nfs/dbraw/zinc/89/72/16/523897216.db2.gz IWGMACWZGWDHRZ-NOZRDPDXSA-N 0 0 434.580 4.018 50 0 IIAARN COC(=O)[C@H](CCSC)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000012889655 523901186 /nfs/dbraw/zinc/90/11/86/523901186.db2.gz PTXBMYUIDWLKGN-IBGZPJMESA-N 0 0 433.533 4.408 50 0 biogenic IIAARN COc1ccc(CC(=O)Nc2nc3ccc(Br)cc3s2)c(OC)c1OC ZINC000012773399 523911985 /nfs/dbraw/zinc/91/19/85/523911985.db2.gz NFJCBMJMUGCFAH-UHFFFAOYSA-N 0 0 437.315 4.266 50 0 IIAARN COCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528302 523923465 /nfs/dbraw/zinc/92/34/65/523923465.db2.gz NUSFWKJMCRGHNS-UHFFFAOYSA-N 0 0 432.549 4.148 50 0 IIAARN COc1ccc(CCN(C)Cn2nc(C=Cc3ccc(F)cc3)[nH]c2=S)cc1OC ZINC000012878569 523939912 /nfs/dbraw/zinc/93/99/12/523939912.db2.gz OYFLNFKQKKNZTK-YRNVUSSQSA-N 0 0 428.533 4.399 50 0 IIAARN COc1ccc(CCNC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc1OC ZINC000020426712 523955550 /nfs/dbraw/zinc/95/55/50/523955550.db2.gz GWKDGYWYEXDVHL-NRFANRHFSA-N 0 0 428.554 4.089 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(/C=C3\Oc4ccccc4NC3=O)cc2)cc1OC ZINC000020729977 523968964 /nfs/dbraw/zinc/96/89/64/523968964.db2.gz IXWJSVBMOLZLBK-JLPGSUDCSA-N 0 0 444.487 4.048 50 0 biogenic IIAARN CCc1ccc(NC(=O)CN2c3sccc3C(c3ccc(OC)cc3)=NCC2=O)cc1 ZINC000015775426 523972605 /nfs/dbraw/zinc/97/26/05/523972605.db2.gz OSFZGKUOARIQQW-UHFFFAOYSA-N 0 0 433.533 4.142 50 0 IIAARN CCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000012437555 523991489 /nfs/dbraw/zinc/99/14/89/523991489.db2.gz JZYOLSNNDYECOP-LCUIJRPUSA-N 0 0 447.516 4.042 50 0 IIAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nnc2ccccn21 ZINC000035592678 524023853 /nfs/dbraw/zinc/02/38/53/524023853.db2.gz BQYJMDWUSMNLQE-UHFFFAOYSA-N 0 0 442.497 4.114 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccccc3C(=O)c3cccs3)CC2)cc1F ZINC000023990113 524030729 /nfs/dbraw/zinc/03/07/29/524030729.db2.gz BZSBKICGPMNBCX-UHFFFAOYSA-N 0 0 438.524 4.085 50 0 IIAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)cc1 ZINC000015670462 524034746 /nfs/dbraw/zinc/03/47/46/524034746.db2.gz IJFLZKVXZMWOBK-FQEVSTJZSA-N 0 0 440.507 4.078 50 0 IIAARN COc1ccc(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c(OC)c1OC ZINC000012159197 524035444 /nfs/dbraw/zinc/03/54/44/524035444.db2.gz YPWQQWXOCMNDLC-HSZRJFAPSA-N 0 0 449.547 4.383 50 0 IIAARN COc1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c(OC)c1OC ZINC000021639544 524039941 /nfs/dbraw/zinc/03/99/41/524039941.db2.gz MYNSOAIHMGFMIW-UHFFFAOYSA-N 0 0 442.466 4.083 50 0 IIAARN COc1ccc(CN2Cc3cc(NC(=O)c4cccc(OC)c4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035885032 524042869 /nfs/dbraw/zinc/04/28/69/524042869.db2.gz RNZHOMGRYOXPGR-KRWDZBQOSA-N 0 0 446.503 4.266 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000021116061 524043268 /nfs/dbraw/zinc/04/32/68/524043268.db2.gz DVDRGPKMGNJZQB-UHFFFAOYSA-N 0 0 431.794 4.180 50 0 IIAARN CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CC)S2 ZINC000020923039 524063062 /nfs/dbraw/zinc/06/30/62/524063062.db2.gz NUKCMLZVEAJVAJ-GOSISDBHSA-N 0 0 446.594 4.183 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563242 524065544 /nfs/dbraw/zinc/06/55/44/524065544.db2.gz DTSCRMPJCUARBF-GOSISDBHSA-N 0 0 429.524 4.270 50 0 IIAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc5c(c4)OCO5)n3)nc2c1 ZINC000021721747 524098369 /nfs/dbraw/zinc/09/83/69/524098369.db2.gz PUGUEFDUAXBZNH-UHFFFAOYSA-N 0 0 438.465 4.112 50 0 IIAARN COc1ccc(CNc2nc(-c3ccc(C)cc3)nn2S(=O)(=O)c2ccccc2)cc1 ZINC000016425787 524104649 /nfs/dbraw/zinc/10/46/49/524104649.db2.gz CRKMZSZVNXPUJJ-UHFFFAOYSA-N 0 0 434.521 4.111 50 0 IIAARN COc1ccc(CNc2nc(=O)n(CC(=O)Nc3c(C)cccc3C)c3ccccc23)cc1 ZINC000021361217 524104804 /nfs/dbraw/zinc/10/48/04/524104804.db2.gz OHMKRKICEVRRPK-UHFFFAOYSA-N 0 0 442.519 4.273 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)CCCn3c4ccccc4n4cccc4c3=O)CC2)c1 ZINC000020489630 524121827 /nfs/dbraw/zinc/12/18/27/524121827.db2.gz RNSUWOZGBQSOGS-UHFFFAOYSA-N 0 0 442.563 4.000 50 0 IIAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(C(N)=O)cc2)c1 ZINC000036727854 524122062 /nfs/dbraw/zinc/12/20/62/524122062.db2.gz PODSDLNWYJISIW-UHFFFAOYSA-N 0 0 428.467 4.016 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)c1 ZINC000012348705 524126030 /nfs/dbraw/zinc/12/60/30/524126030.db2.gz YUJITQSSEGDDOI-UHFFFAOYSA-N 0 0 431.521 4.490 50 0 IIAARN COc1ccc(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)C3CCC3)n2C)cc1 ZINC000012453470 524130348 /nfs/dbraw/zinc/13/03/48/524130348.db2.gz WGRPAGIUEGMYQX-OAQYLSRUSA-N 0 0 436.581 4.316 50 0 IIAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)c1 ZINC000012377823 524131013 /nfs/dbraw/zinc/13/10/13/524131013.db2.gz RPFSCGYUOBNPFF-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)nn2C)c1OC ZINC000012206670 524136447 /nfs/dbraw/zinc/13/64/47/524136447.db2.gz XRUFFTSHTSDSEX-HSZRJFAPSA-N 0 0 430.508 4.015 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)CSc2ccccc2)cc1 ZINC000032949306 524138582 /nfs/dbraw/zinc/13/85/82/524138582.db2.gz FYBPRRLZRRHEKD-FQEVSTJZSA-N 0 0 435.545 4.486 50 0 IIAARN Cc1ccc(C)c(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c1 ZINC000033278001 524141662 /nfs/dbraw/zinc/14/16/62/524141662.db2.gz XXBNEUFWNGTROJ-UHFFFAOYSA-N 0 0 447.539 4.296 50 0 IIAARN COc1cccc([C@H](NC(=O)COc2ccccc2Cc2ccccc2)c2nccn2C)c1 ZINC000012520397 524163064 /nfs/dbraw/zinc/16/30/64/524163064.db2.gz IRZHKWCVCNQXNR-SANMLTNESA-N 0 0 441.531 4.304 50 0 IIAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000012780634 524180311 /nfs/dbraw/zinc/18/03/11/524180311.db2.gz INGLDAFOCMZVEP-UHFFFAOYSA-N 0 0 439.471 4.454 50 0 IIAARN Cc1cc(C(=O)[C@H](C)OC(=O)c2cc3c(C)nn(C)c3s2)c(C)n1Cc1ccco1 ZINC000022887362 524198031 /nfs/dbraw/zinc/19/80/31/524198031.db2.gz WUSLQHSGUCDSSC-HNNXBMFYSA-N 0 0 425.510 4.431 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035479463 524220931 /nfs/dbraw/zinc/22/09/31/524220931.db2.gz CNYYQHOCMBZJQE-UHFFFAOYSA-N 0 0 438.915 4.025 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000020767934 524242237 /nfs/dbraw/zinc/24/22/37/524242237.db2.gz PHOXJYKDFOFACN-UHFFFAOYSA-N 0 0 429.860 4.476 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022783109 524247883 /nfs/dbraw/zinc/24/78/83/524247883.db2.gz LUSHJFBCCYEVED-MOTZXUDYSA-N 0 0 428.374 4.107 50 0 IIAARN C[C@@H]1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)c3ccccc32)C1 ZINC000033287390 524248874 /nfs/dbraw/zinc/24/88/74/524248874.db2.gz YOTUNDDIWBXVFE-CQSZACIVSA-N 0 0 428.895 4.064 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022804552 524273907 /nfs/dbraw/zinc/27/39/07/524273907.db2.gz KNLRZBZTIGEIJV-QFIPXVFZSA-N 0 0 429.564 4.377 50 0 IIAARN COc1ccccc1-c1cn2c(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)csc2n1 ZINC000012198809 524274899 /nfs/dbraw/zinc/27/48/99/524274899.db2.gz OEGJPEXKANFPAE-UHFFFAOYSA-N 0 0 435.553 4.227 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c(C)o1 ZINC000012416053 524281720 /nfs/dbraw/zinc/28/17/20/524281720.db2.gz FBFZMFILBSRIST-UHFFFAOYSA-N 0 0 431.496 4.476 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000012859007 524281907 /nfs/dbraw/zinc/28/19/07/524281907.db2.gz QOVMUKRAEIOWMN-UHFFFAOYSA-N 0 0 445.357 4.434 50 0 IIAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000012465881 524282300 /nfs/dbraw/zinc/28/23/00/524282300.db2.gz CXAGXAZSUXSZLQ-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 aggregator IIAARN Cc1cc(C)c(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)c(C)c1 ZINC000022768104 524292397 /nfs/dbraw/zinc/29/23/97/524292397.db2.gz DUDSONYSQPJMID-UHFFFAOYSA-N 0 0 441.535 4.332 50 0 IIAARN Cc1cc(C)cc(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1 ZINC000021150062 524358064 /nfs/dbraw/zinc/35/80/64/524358064.db2.gz VIRFWGDVPJBFQM-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(C)c3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000021786430 524358227 /nfs/dbraw/zinc/35/82/27/524358227.db2.gz 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ZINC000021862425 525135565 /nfs/dbraw/zinc/13/55/65/525135565.db2.gz NRFIRVJZMYTULJ-MHZLTWQESA-N 0 0 438.531 4.076 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000012880261 525141572 /nfs/dbraw/zinc/14/15/72/525141572.db2.gz SMVVEZRRKAVAGM-UHFFFAOYSA-N 0 0 434.469 4.224 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561119 525170362 /nfs/dbraw/zinc/17/03/62/525170362.db2.gz HMTUCQKLNJSVCG-HSZRJFAPSA-N 0 0 444.531 4.416 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1F ZINC000021852525 525201467 /nfs/dbraw/zinc/20/14/67/525201467.db2.gz PBSRGFRVSVZGBY-RUZDIDTESA-N 0 0 438.547 4.153 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324895 525213614 /nfs/dbraw/zinc/21/36/14/525213614.db2.gz YKIZACHROLRTSM-HUUCEWRRSA-N 0 0 434.993 4.033 50 0 IIAARN Cc1ccccc1N(CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)S(C)(=O)=O ZINC000012928126 525217126 /nfs/dbraw/zinc/21/71/26/525217126.db2.gz SYWFPXFKGPOEGM-UHFFFAOYSA-N 0 0 435.505 4.208 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc2c(c1)OCCO2 ZINC000012682113 525222035 /nfs/dbraw/zinc/22/20/35/525222035.db2.gz UFKBJQOJDSBVRE-HJPURHCSSA-N 0 0 429.472 4.403 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000015535082 525247388 /nfs/dbraw/zinc/24/73/88/525247388.db2.gz PTZBEQMOBIAYPJ-QHCPKHFHSA-N 0 0 431.536 4.499 50 0 IIAARN Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2cc(Br)ccc2n1 ZINC000012422088 525247890 /nfs/dbraw/zinc/24/78/90/525247890.db2.gz GEJXWPKDYIKSAS-UHFFFAOYSA-N 0 0 438.281 4.211 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 ZINC000012817941 525267286 /nfs/dbraw/zinc/26/72/86/525267286.db2.gz MUXZKBHQVXTLMQ-UHFFFAOYSA-N 0 0 426.563 4.272 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033268650 525278981 /nfs/dbraw/zinc/27/89/81/525278981.db2.gz JUUWOMXLSDEJDO-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)ccc1Br ZINC000015730464 525288557 /nfs/dbraw/zinc/28/85/57/525288557.db2.gz XVVOMPJXFVSLKR-NSHDSACASA-N 0 0 441.372 4.381 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc2c(c1)OCCO2 ZINC000012682094 525335044 /nfs/dbraw/zinc/33/50/44/525335044.db2.gz UFKBJQOJDSBVRE-WAIKUNEKSA-N 0 0 429.472 4.403 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)CC2)c(F)c1 ZINC000009208429 534848917 /nfs/dbraw/zinc/84/89/17/534848917.db2.gz IPGAPAPITXLHAR-UHFFFAOYSA-N 0 0 449.530 4.194 50 0 IIAARN COc1ccc([C@H](CNC(=O)C2CCN(C(=O)C(C)C)CC2)c2c[nH]c3ccccc32)cc1 ZINC000012737486 525354339 /nfs/dbraw/zinc/35/43/39/525354339.db2.gz PXDSXEPZGYWNHX-QHCPKHFHSA-N 0 0 447.579 4.319 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(C)c1 ZINC000001058421 525394967 /nfs/dbraw/zinc/39/49/67/525394967.db2.gz NPVHAOAPEVAHIS-UHFFFAOYSA-N 0 0 443.547 4.283 50 0 IIAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035946640 525404550 /nfs/dbraw/zinc/40/45/50/525404550.db2.gz WEEJCPUSQMGGJG-JOCHJYFZSA-N 0 0 439.531 4.407 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc3ccccn32)cc1 ZINC000012549506 525407377 /nfs/dbraw/zinc/40/73/77/525407377.db2.gz SZAHVYKREZHVDE-OAQYLSRUSA-N 0 0 443.532 4.208 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062010 525420465 /nfs/dbraw/zinc/42/04/65/525420465.db2.gz OGRBBBALXPSVFB-DHIUTWEWSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 ZINC000036041738 525422076 /nfs/dbraw/zinc/42/20/76/525422076.db2.gz ODIIWGJLPROJDY-FGZHOGPDSA-N 0 0 428.960 4.367 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)CCc2ccccc2)c2cccs2)ccc1F ZINC000020604149 525425285 /nfs/dbraw/zinc/42/52/85/525425285.db2.gz YPLZYJNIVVHAGK-NRFANRHFSA-N 0 0 431.554 4.460 50 0 IIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000012322097 525429594 /nfs/dbraw/zinc/42/95/94/525429594.db2.gz PBODJQFFOQYIGU-UHFFFAOYSA-N 0 0 435.543 4.146 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)Nc3nnc(Cc4ccccc4)s3)c(=O)oc2c1 ZINC000021565457 525496191 /nfs/dbraw/zinc/49/61/91/525496191.db2.gz TXTZVODYCFUKBY-UHFFFAOYSA-N 0 0 435.505 4.124 50 0 IIAARN Cc1n[nH]cc1CCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000012573410 525500710 /nfs/dbraw/zinc/50/07/10/525500710.db2.gz ZZMOZCMWTIEAPA-UHFFFAOYSA-N 0 0 448.596 4.267 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1C ZINC000012745721 525518466 /nfs/dbraw/zinc/51/84/66/525518466.db2.gz YKXKYSOLXFAMIP-UHFFFAOYSA-N 0 0 444.572 4.034 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000012745680 525519995 /nfs/dbraw/zinc/51/99/95/525519995.db2.gz QEBWBLJORUFKSB-HSZRJFAPSA-N 0 0 428.598 4.299 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)Nc3cc4c(cc3F)nc[nH]c4=O)c2oc1-c1ccccc1 ZINC000012688569 525523837 /nfs/dbraw/zinc/52/38/37/525523837.db2.gz NKOUFBMVJQPEHP-UHFFFAOYSA-N 0 0 441.418 4.396 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccccc3Cl)CC1)c1cccn1-2 ZINC000035399365 525554024 /nfs/dbraw/zinc/55/40/24/525554024.db2.gz CTFXDQAVTVIWIE-UHFFFAOYSA-N 0 0 443.956 4.245 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012729701 525606554 /nfs/dbraw/zinc/60/65/54/525606554.db2.gz HGOBAMZHTULQSB-UHFFFAOYSA-N 0 0 430.476 4.346 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1F ZINC000012731240 525613627 /nfs/dbraw/zinc/61/36/27/525613627.db2.gz RWMWNOMBGRJJAO-QGZVFWFLSA-N 0 0 426.513 4.468 50 0 IIAARN COc1ccc2c(cc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)n2C)c1 ZINC000035476027 525614560 /nfs/dbraw/zinc/61/45/60/525614560.db2.gz BBEQHKYPFFLIFX-UHFFFAOYSA-N 0 0 444.329 4.038 50 0 IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccn2)C3=O)o1 ZINC000021811845 525619276 /nfs/dbraw/zinc/61/92/76/525619276.db2.gz FSCWTMOCZIFFOV-VWLOTQADSA-N 0 0 434.540 4.191 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCCC(C)C)nc23)cc1C ZINC000020516317 525636522 /nfs/dbraw/zinc/63/65/22/525636522.db2.gz MRUTUEBJWZBSFA-UHFFFAOYSA-N 0 0 429.571 4.247 50 0 IIAARN Cc1cc2nc(C)c(CCC(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)c(C)n2n1 ZINC000023730880 525671012 /nfs/dbraw/zinc/67/10/12/525671012.db2.gz OKTCFSACVYKOPO-UHFFFAOYSA-N 0 0 430.556 4.048 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccc(C)cc3C)cc(=O)n2o1 ZINC000035378650 525673488 /nfs/dbraw/zinc/67/34/88/525673488.db2.gz HFBKJDNTAMLMIS-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NC3CCCCCC3)c(=O)c12 ZINC000020947372 525676163 /nfs/dbraw/zinc/67/61/63/525676163.db2.gz KMTRTXGXBJHUCE-UHFFFAOYSA-N 0 0 426.948 4.296 50 0 IIAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c12 ZINC000021885769 525678840 /nfs/dbraw/zinc/67/88/40/525678840.db2.gz LXEYJUWLDDCSFD-HSZRJFAPSA-N 0 0 440.547 4.388 50 0 IIAARN COc1ccc2oc(=O)c(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1 ZINC000001060184 525683563 /nfs/dbraw/zinc/68/35/63/525683563.db2.gz YBQNTMLVJLJVSJ-UHFFFAOYSA-N 0 0 433.291 4.071 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)cc1C ZINC000036001636 525727839 /nfs/dbraw/zinc/72/78/39/525727839.db2.gz FFHDLUUHUSKRAR-QHCPKHFHSA-N 0 0 431.536 4.312 50 0 IIAARN COc1cccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2-c2ccccc2)c1 ZINC000017709484 525734471 /nfs/dbraw/zinc/73/44/71/525734471.db2.gz CQDRCEOBKJQGLV-UHFFFAOYSA-N 0 0 441.520 4.211 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)nc32)cc1 ZINC000021705193 525784528 /nfs/dbraw/zinc/78/45/28/525784528.db2.gz QTCUTLCRXMDLBV-UHFFFAOYSA-N 0 0 447.495 4.167 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4ccc(Cl)cc4)nc32)cc1 ZINC000021705168 525785622 /nfs/dbraw/zinc/78/56/22/525785622.db2.gz IJSILXPSKKCOES-UHFFFAOYSA-N 0 0 449.923 4.373 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1OC ZINC000012465696 525798702 /nfs/dbraw/zinc/79/87/02/525798702.db2.gz XUPDRUPPRGOIQX-KRWDZBQOSA-N 0 0 428.504 4.422 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000035536998 525803261 /nfs/dbraw/zinc/80/32/61/525803261.db2.gz WZSYKHIGKDBCPR-OAQYLSRUSA-N 0 0 430.346 4.400 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000021859468 525803407 /nfs/dbraw/zinc/80/34/07/525803407.db2.gz UMVAFQMFDCSZCB-NDEPHWFRSA-N 0 0 437.543 4.415 50 0 IIAARN Cc1ccc(-c2nc(C)cc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000033301554 525803982 /nfs/dbraw/zinc/80/39/82/525803982.db2.gz WNFVHLYKKVOGCU-UHFFFAOYSA-N 0 0 436.556 4.340 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c3nnc(S[C@H](C)C(=O)NC[C@H]4CCCO4)n32)cc1 ZINC000021727412 525825692 /nfs/dbraw/zinc/82/56/92/525825692.db2.gz OSCVCHWEIPPFDD-SJLPKXTDSA-N 0 0 447.564 4.029 50 0 IIAARN COc1cccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c32)c1OC ZINC000020613926 525831398 /nfs/dbraw/zinc/83/13/98/525831398.db2.gz GLPLTQOGTLBRLA-UHFFFAOYSA-N 0 0 447.463 4.480 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 ZINC000022188788 525838684 /nfs/dbraw/zinc/83/86/84/525838684.db2.gz FXDBTUFLRLDWLW-UHFFFAOYSA-N 0 0 439.519 4.332 50 0 IIAARN Cc1ccc(-c2nn(CN3CCN(Cc4ccc(Cl)cc4)CC3)c(=S)n2C)cc1 ZINC000022918108 525841836 /nfs/dbraw/zinc/84/18/36/525841836.db2.gz CWFPSUKBAWXANB-UHFFFAOYSA-N 0 0 428.005 4.355 50 0 IIAARN Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638644 525842401 /nfs/dbraw/zinc/84/24/01/525842401.db2.gz TUDDEUCIRHTXDW-HNNXBMFYSA-N 0 0 441.519 4.371 50 0 IIAARN Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000023485248 525852332 /nfs/dbraw/zinc/85/23/32/525852332.db2.gz BDDUPJWLFFUUIW-UHFFFAOYSA-N 0 0 432.549 4.468 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035962316 525856266 /nfs/dbraw/zinc/85/62/66/525856266.db2.gz AHCXUOKJRPDUMZ-HSZRJFAPSA-N 0 0 437.515 4.161 50 0 IIAARN C[C@@H](O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000019646540 525871090 /nfs/dbraw/zinc/87/10/90/525871090.db2.gz GCPQYARQNKYWGT-BRWVUGGUSA-N 0 0 447.626 4.215 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000035319333 525885029 /nfs/dbraw/zinc/88/50/29/525885029.db2.gz NZQJAIQJWOTGBL-KRWDZBQOSA-N 0 0 448.342 4.333 50 0 IIAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)c1ccc(F)c(F)c1 ZINC000012910597 525885300 /nfs/dbraw/zinc/88/53/00/525885300.db2.gz IEESCAKGKSFNHX-CYBMUJFWSA-N 0 0 435.854 4.285 50 0 IIAARN C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012567344 525889019 /nfs/dbraw/zinc/88/90/19/525889019.db2.gz RUXWSTOOFXXBNP-OAHLLOKOSA-N 0 0 431.444 4.105 50 0 IIAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cn(C)c3ccccc3c2=O)cc1 ZINC000012702527 525932462 /nfs/dbraw/zinc/93/24/62/525932462.db2.gz NPLYNPRWFFJIQI-QFIPXVFZSA-N 0 0 440.547 4.476 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000012774246 525952845 /nfs/dbraw/zinc/95/28/45/525952845.db2.gz VMEIRAHRWPKJJX-UHFFFAOYSA-N 0 0 439.943 4.408 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)Cc4ccccc4)ccc3O[C@H](C)C2=O)c1 ZINC000035909272 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444.358 4.055 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000009238606 556265027 /nfs/dbraw/zinc/26/50/27/556265027.db2.gz RLKHYSXLLPIVRX-MOPGFXCFSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009238982 556265250 /nfs/dbraw/zinc/26/52/50/556265250.db2.gz GKYXPNIHRNZNBT-RBUKOAKNSA-N 0 0 443.960 4.345 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239606 556266065 /nfs/dbraw/zinc/26/60/65/556266065.db2.gz HBSRZBIUEMGPKG-UXHICEINSA-N 0 0 425.533 4.330 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009260642 556268385 /nfs/dbraw/zinc/26/83/85/556268385.db2.gz FVKFCPOETTXNEC-UHFFFAOYSA-N 0 0 438.509 4.459 50 0 IIAARN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000097674581 556288718 /nfs/dbraw/zinc/28/87/18/556288718.db2.gz KGYLFQKYTFLJCR-QINSGFPZSA-N 0 0 432.973 4.011 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCCCc1ccccc1)N2Cc1ccccc1Cl ZINC000009419804 556289219 /nfs/dbraw/zinc/28/92/19/556289219.db2.gz HKLUABPLXJLMBF-UXHICEINSA-N 0 0 435.014 4.043 50 0 IIAARN CC1(C)Cc2nc3sc4c(ncn(CC(=O)Nc5ccccc5)c4=O)c3cc2CS1 ZINC000009423705 556289526 /nfs/dbraw/zinc/28/95/26/556289526.db2.gz YNCGGGZZFVAEEE-UHFFFAOYSA-N 0 0 436.562 4.213 50 0 IIAARN Cc1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)ccc1Br ZINC000009436183 556291776 /nfs/dbraw/zinc/29/17/76/556291776.db2.gz JENYTONNRPCAOM-UHFFFAOYSA-N 0 0 445.269 4.297 50 0 IIAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1cccc2ccccc21 ZINC000009459241 556292765 /nfs/dbraw/zinc/29/27/65/556292765.db2.gz TWYDJUJQGHATEF-UHFFFAOYSA-N 0 0 442.504 4.260 50 0 IIAARN CCCCN(C(=O)c1cc2c(nc3ccccn3c2=O)n1CCCOC)c1ccccc1 ZINC000009451169 556292853 /nfs/dbraw/zinc/29/28/53/556292853.db2.gz XGVWOZPJEYYGNW-UHFFFAOYSA-N 0 0 432.524 4.133 50 0 IIAARN COc1ccc(-c2nn3c(CCc4c(C)nn(-c5ccccc5)c4C)nnc3s2)cc1 ZINC000013733326 556296861 /nfs/dbraw/zinc/29/68/61/556296861.db2.gz UNKDMMVQRCVRNM-UHFFFAOYSA-N 0 0 430.537 4.449 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IIAARN CC(=O)NCC(=O)N(c1ccccc1C)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000013940787 556338289 /nfs/dbraw/zinc/33/82/89/556338289.db2.gz WFJSIOWUYOJZNC-UHFFFAOYSA-N 0 0 435.568 4.423 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)c1 ZINC000013941816 556338949 /nfs/dbraw/zinc/33/89/49/556338949.db2.gz KGXSXFXYTURJDI-UHFFFAOYSA-N 0 0 428.444 4.143 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 ZINC000013942547 556340011 /nfs/dbraw/zinc/34/00/11/556340011.db2.gz COVMWPSHPDMQPG-INIZCTEOSA-N 0 0 436.537 4.272 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(F)cc45)C3)sc2c1 ZINC000013944918 556342298 /nfs/dbraw/zinc/34/22/98/556342298.db2.gz QPYZFTQAUKDQOL-HNNXBMFYSA-N 0 0 436.512 4.255 50 0 IIAARN Cc1ccc2[nH]c([C@H](C)NC(=O)c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)nc2c1 ZINC000011663431 556344376 /nfs/dbraw/zinc/34/43/76/556344376.db2.gz YQPKOAUMWJATPE-KRWDZBQOSA-N 0 0 446.551 4.142 50 0 IIAARN CC(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000032780975 556346433 /nfs/dbraw/zinc/34/64/33/556346433.db2.gz NQWYWWJIDXXVFJ-UHFFFAOYSA-N 0 0 436.461 4.282 50 0 IIAARN O=C(CCCc1ccccc1)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000011714409 556348014 /nfs/dbraw/zinc/34/80/14/556348014.db2.gz CAFIZJHSDZCNQK-UHFFFAOYSA-N 0 0 434.515 4.461 50 0 IIAARN COc1cc(C)c(CN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC ZINC000022925569 556348087 /nfs/dbraw/zinc/34/80/87/556348087.db2.gz FZIZGLYONPZGBE-QGZVFWFLSA-N 0 0 440.519 4.080 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011715993 556348406 /nfs/dbraw/zinc/34/84/06/556348406.db2.gz ROPDKZPTJZZPJN-QHCPKHFHSA-N 0 0 446.450 4.113 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c12 ZINC000013960966 556348585 /nfs/dbraw/zinc/34/85/85/556348585.db2.gz SADQLACRZSBFHQ-UHFFFAOYSA-N 0 0 429.311 4.389 50 0 IIAARN CC(C)OCc1ccccc1CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000032787392 556350298 /nfs/dbraw/zinc/35/02/98/556350298.db2.gz MZUBYDKFTIPQAK-UHFFFAOYSA-N 0 0 427.504 4.241 50 0 IIAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(CC)C[C@H]2CCCO2)c1 ZINC000011784832 556352772 /nfs/dbraw/zinc/35/27/72/556352772.db2.gz JUQWUPJDTRGEAL-HXUWFJFHSA-N 0 0 448.567 4.154 50 0 IIAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)NCCc2ccco2)c1 ZINC000011789511 556354875 /nfs/dbraw/zinc/35/48/75/556354875.db2.gz ODSCFFMSIHKEEF-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000032794566 556355112 /nfs/dbraw/zinc/35/51/12/556355112.db2.gz HAONDWFZNDFNIH-UHFFFAOYSA-N 0 0 442.581 4.171 50 0 IIAARN O=C(C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1)N1CCCCC1 ZINC000011813952 556357107 /nfs/dbraw/zinc/35/71/07/556357107.db2.gz QKNJYXHWDCWKQJ-UHFFFAOYSA-N 0 0 444.579 4.474 50 0 IIAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000011816868 556359543 /nfs/dbraw/zinc/35/95/43/556359543.db2.gz FPXNISHDZAFLMA-HXUWFJFHSA-N 0 0 436.527 4.235 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC[C@@H]1c1nccs1 ZINC000011820386 556362306 /nfs/dbraw/zinc/36/23/06/556362306.db2.gz ZPIHXDTXYCPSAN-LJQANCHMSA-N 0 0 431.565 4.400 50 0 IIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000014081173 556362738 /nfs/dbraw/zinc/36/27/38/556362738.db2.gz ZYSGZCQPUPXBIL-UHFFFAOYSA-N 0 0 437.805 4.100 50 0 IIAARN Cc1cc(C)cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000014092698 556365840 /nfs/dbraw/zinc/36/58/40/556365840.db2.gz GTPFHHWBUFZAPL-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000032803397 556365845 /nfs/dbraw/zinc/36/58/45/556365845.db2.gz FHXDRDYWLTUGQW-INIZCTEOSA-N 0 0 432.362 4.441 50 0 IIAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000014118815 556371608 /nfs/dbraw/zinc/37/16/08/556371608.db2.gz FTBCHBTUPOKTNP-UHFFFAOYSA-N 0 0 439.537 4.014 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)Nc3nc4c(cc(C)cc4C)s3)o2)cs1 ZINC000014124272 556372873 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4.157 50 0 IIAARN Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)c(C)c1 ZINC000011914307 556376163 /nfs/dbraw/zinc/37/61/63/556376163.db2.gz BUCYSNOMVFSPTM-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN O=C(c1ccccc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914965 556376256 /nfs/dbraw/zinc/37/62/56/556376256.db2.gz BKLRMQZBLSYKGD-IBGZPJMESA-N 0 0 429.925 4.430 50 0 IIAARN C[C@@H]1CSC(N(C(=O)COc2ccc3ccc(=O)oc3c2)c2ccc(Cl)cc2)=N1 ZINC000014164892 556379379 /nfs/dbraw/zinc/37/93/79/556379379.db2.gz HBXJDAWNTFAPIP-CYBMUJFWSA-N 0 0 428.897 4.350 50 0 IIAARN COc1ccccc1CNc1nc(-c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cs1 ZINC000014171370 556381928 /nfs/dbraw/zinc/38/19/28/556381928.db2.gz TURDAMMAYFMINH-QGZVFWFLSA-N 0 0 431.583 4.209 50 0 IIAARN COc1ccccc1[C@H]1CN(CC(=O)N(C)[C@@H](C)c2nccs2)Cc2ccccc2O1 ZINC000011969224 556382248 /nfs/dbraw/zinc/38/22/48/556382248.db2.gz INGICHJDQCTECO-HTAPYJJXSA-N 0 0 437.565 4.307 50 0 IIAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014180976 556382486 /nfs/dbraw/zinc/38/24/86/556382486.db2.gz MCEXZMVVSLLGMW-INIZCTEOSA-N 0 0 432.549 4.262 50 0 IIAARN COc1ccc(-c2ccc(C(=O)NC[C@H]3Cc4c(c(-c5ncccn5)ccc4F)O3)o2)cc1 ZINC000011975746 556383062 /nfs/dbraw/zinc/38/30/62/556383062.db2.gz WOQTZMXNVURHIT-QGZVFWFLSA-N 0 0 445.450 4.285 50 0 IIAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2cccc(Cl)c2Cl)C1=O ZINC000014182886 556383170 /nfs/dbraw/zinc/38/31/70/556383170.db2.gz KHWGGXQJHPURRL-NRFANRHFSA-N 0 0 436.339 4.249 50 0 IIAARN Cc1nc(CN(C)C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)cs1 ZINC000011975334 556383209 /nfs/dbraw/zinc/38/32/09/556383209.db2.gz FUGHJGZUYZMUNR-UHFFFAOYSA-N 0 0 444.564 4.164 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000014184617 556384438 /nfs/dbraw/zinc/38/44/38/556384438.db2.gz DOIBJAJZANOOCP-NRFANRHFSA-N 0 0 447.516 4.389 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000014187630 556386624 /nfs/dbraw/zinc/38/66/24/556386624.db2.gz 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O=C(CN1C[C@@H](c2ccccc2)CC1=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000015000386 556479454 /nfs/dbraw/zinc/47/94/54/556479454.db2.gz WQDRIURGEJDUEJ-QHCPKHFHSA-N 0 0 432.564 4.373 50 0 IIAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1C ZINC000072287420 556479723 /nfs/dbraw/zinc/47/97/23/556479723.db2.gz CUJRWWGTEWSDIE-AWEZNQCLSA-N 0 0 447.322 4.376 50 0 IIAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)[C@@H]1CCCN(c2cnccn2)C1 ZINC000029751144 556481569 /nfs/dbraw/zinc/48/15/69/556481569.db2.gz YPGCHBMAPBCOEI-XLIONFOSSA-N 0 0 431.565 4.184 50 0 IIAARN CN(Cc1cccs1)C(=O)c1cc(-c2cccc3cccnc32)cc(-n2cnnn2)c1 ZINC000015008240 556482551 /nfs/dbraw/zinc/48/25/51/556482551.db2.gz DUIWMMNGHRSFOD-UHFFFAOYSA-N 0 0 426.505 4.211 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000015009747 556483002 /nfs/dbraw/zinc/48/30/02/556483002.db2.gz XLXRUPRQLVRUSF-HRQSHJORSA-N 0 0 433.581 4.494 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000029806163 556483089 /nfs/dbraw/zinc/48/30/89/556483089.db2.gz HLGFWHCUMGJFOI-UHFFFAOYSA-N 0 0 426.542 4.123 50 0 IIAARN COc1cc2nc(SCc3nnc(C)o3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000029815021 556483556 /nfs/dbraw/zinc/48/35/56/556483556.db2.gz VOMMZIJSTXPLGA-UHFFFAOYSA-N 0 0 442.541 4.288 50 0 IIAARN Cc1cccc(C(=O)N2CCCN(CC(=O)N[C@H](C)c3cccc4ccccc43)CC2)c1 ZINC000029849582 556484179 /nfs/dbraw/zinc/48/41/79/556484179.db2.gz YFAIJCWUJVEEPC-OAQYLSRUSA-N 0 0 429.564 4.174 50 0 IIAARN O=C(Oc1ccccc1Br)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000013137703 556484344 /nfs/dbraw/zinc/48/43/44/556484344.db2.gz PVSUHWGCVSHTBH-UHFFFAOYSA-N 0 0 443.274 4.046 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000015016705 556486155 /nfs/dbraw/zinc/48/61/55/556486155.db2.gz YXCFUKNQWNANMB-IXDOJHRFSA-N 0 0 434.521 4.444 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013141155 556486355 /nfs/dbraw/zinc/48/63/55/556486355.db2.gz 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/nfs/dbraw/zinc/50/62/06/556506206.db2.gz GBOWHHZSEMYRGE-CQSZACIVSA-N 0 0 428.930 4.483 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c12 ZINC000032885610 556510195 /nfs/dbraw/zinc/51/01/95/556510195.db2.gz DEBDBWIOTXZOKK-OAHLLOKOSA-N 0 0 433.439 4.249 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000030896601 556514991 /nfs/dbraw/zinc/51/49/91/556514991.db2.gz YOITVWQLNKGRQI-UHFFFAOYSA-N 0 0 444.373 4.220 50 0 IIAARN C[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C[C@H](C)O1 ZINC000032895303 556515164 /nfs/dbraw/zinc/51/51/64/556515164.db2.gz WKNXEBSIPMJJAO-STQMWFEESA-N 0 0 436.459 4.264 50 0 IIAARN O=C(CCNc1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000030952929 556517988 /nfs/dbraw/zinc/51/79/88/556517988.db2.gz NHXNNEQSPAAFHL-ZVUJHCQASA-N 0 0 435.568 4.201 50 0 IIAARN O=C(c1ccccc1)N1CCN(C(=O)C2(Cc3nc4ccccc4s3)CCCC2)CC1 ZINC000032718957 556518632 /nfs/dbraw/zinc/51/86/32/556518632.db2.gz CDHIOXCOFASMIC-UHFFFAOYSA-N 0 0 433.577 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556527480 /nfs/dbraw/zinc/52/74/80/556527480.db2.gz JAHVLFAPZFAAMB-RUZDIDTESA-N 0 0 435.499 4.234 50 0 IIAARN Cc1cc2oc(=O)cc(CN3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)c2cc1C ZINC000015546122 556534119 /nfs/dbraw/zinc/53/41/19/556534119.db2.gz JOGZRYYBVHAXQM-DEOSSOPVSA-N 0 0 432.520 4.190 50 0 IIAARN COc1cc2c(cc1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)oc1ccccc12 ZINC000015575211 556535652 /nfs/dbraw/zinc/53/56/52/556535652.db2.gz SXASIGBHNAKZCG-UHFFFAOYSA-N 0 0 438.505 4.210 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032901937 556538365 /nfs/dbraw/zinc/53/83/65/556538365.db2.gz VBGSPCZDZUOTGR-OAQYLSRUSA-N 0 0 436.943 4.287 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000032719961 556539140 /nfs/dbraw/zinc/53/91/40/556539140.db2.gz JAHVLFAPZFAAMB-VWLOTQADSA-N 0 0 435.499 4.234 50 0 IIAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC(c1ccccc1)c1ccccc1 ZINC000015718049 556544954 /nfs/dbraw/zinc/54/49/54/556544954.db2.gz 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COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1 ZINC000015767934 556549523 /nfs/dbraw/zinc/54/95/23/556549523.db2.gz NDOGOEHDLOXOCJ-DEDYPNTBSA-N 0 0 430.460 4.142 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015768743 556549735 /nfs/dbraw/zinc/54/97/35/556549735.db2.gz CGGCCBWEYLKIKQ-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1ccc(CNc2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)n2)cc1 ZINC000015778259 556550433 /nfs/dbraw/zinc/55/04/33/556550433.db2.gz MMMWGQSJFMHCNV-UHFFFAOYSA-N 0 0 442.903 4.329 50 0 IIAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000033115117 556554661 /nfs/dbraw/zinc/55/46/61/556554661.db2.gz OGUDLGKNSWUNMN-HXUWFJFHSA-N 0 0 444.579 4.294 50 0 IIAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)c1ccccn1 ZINC000015833125 556554927 /nfs/dbraw/zinc/55/49/27/556554927.db2.gz DLFUWZQZNYALNC-UHFFFAOYSA-N 0 0 425.238 4.391 50 0 IIAARN CC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115538 556555498 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444.457 4.345 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCc4ccccc4)CC3)cc12 ZINC000055389380 556741183 /nfs/dbraw/zinc/74/11/83/556741183.db2.gz JNFAXQGSBAUAPN-UHFFFAOYSA-N 0 0 430.577 4.396 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)cc1 ZINC000033048063 556743553 /nfs/dbraw/zinc/74/35/53/556743553.db2.gz WSCFHNDJJRAPLC-UHFFFAOYSA-N 0 0 448.523 4.176 50 0 IIAARN CC[C@H](C(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000013854892 556746570 /nfs/dbraw/zinc/74/65/70/556746570.db2.gz OIKIIUAHSXDXRI-QHCPKHFHSA-N 0 0 447.510 4.118 50 0 IIAARN CN(Cc1csc(Br)c1)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000057995710 556751687 /nfs/dbraw/zinc/75/16/87/556751687.db2.gz GTZNXSMHSVEBSQ-UHFFFAOYSA-N 0 0 430.784 4.365 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc1 ZINC000058009651 556752834 /nfs/dbraw/zinc/75/28/34/556752834.db2.gz KLCCMWHMFAQXIX-UHFFFAOYSA-N 0 0 432.505 4.234 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000058017358 556754043 /nfs/dbraw/zinc/75/40/43/556754043.db2.gz VTEMZBHMZIWYEF-UHFFFAOYSA-N 0 0 442.510 4.181 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000058115400 556759250 /nfs/dbraw/zinc/75/92/50/556759250.db2.gz XYHONLPLQYOCGS-ZWKOTPCHSA-N 0 0 426.529 4.447 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000058139425 556760812 /nfs/dbraw/zinc/76/08/12/556760812.db2.gz UWEUWCJMVCVHTI-UHFFFAOYSA-N 0 0 445.519 4.266 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)n(-c2ccccc2C)n1 ZINC000011170688 556761157 /nfs/dbraw/zinc/76/11/57/556761157.db2.gz WQNQIELQZBQYPA-UHFFFAOYSA-N 0 0 445.548 4.265 50 0 IIAARN CC(C)(C)OC(=O)N1CCC(C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)CC1 ZINC000005271584 556762054 /nfs/dbraw/zinc/76/20/54/556762054.db2.gz QNRXOOZJBUBQJV-UHFFFAOYSA-N 0 0 427.497 4.224 50 0 IIAARN COc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)C(F)(F)F)cc1OC ZINC000058153182 556762283 /nfs/dbraw/zinc/76/22/83/556762283.db2.gz JSXNUPMNJXNWLU-QGZVFWFLSA-N 0 0 441.431 4.168 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCC)c2C)C1=O ZINC000005305732 556762898 /nfs/dbraw/zinc/76/28/98/556762898.db2.gz TXBIEUWSCJSQBL-XMMPIXPASA-N 0 0 427.520 4.474 50 0 IIAARN COc1ccc(Oc2ncccc2NC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 ZINC000058157754 556763264 /nfs/dbraw/zinc/76/32/64/556763264.db2.gz HVOSONRERMUOKI-UHFFFAOYSA-N 0 0 430.468 4.361 50 0 IIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1nc(C)cs1)COC2=O ZINC000062001735 556764655 /nfs/dbraw/zinc/76/46/55/556764655.db2.gz ZNIRMSCENQOCMZ-WUXMJOGZSA-N 0 0 430.526 4.355 50 0 biogenic IIAARN Cc1cccc(N2CCN(Cn3nc([C@H]4COc5ccccc5O4)oc3=S)CC2)c1C ZINC000058160837 556764909 /nfs/dbraw/zinc/76/49/09/556764909.db2.gz XRNXZCBSXBFTPX-OAQYLSRUSA-N 0 0 438.553 4.115 50 0 IIAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000058166511 556766756 /nfs/dbraw/zinc/76/67/56/556766756.db2.gz RCJLTJGHXBHGFJ-KRWDZBQOSA-N 0 0 435.427 4.220 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000058166493 556766852 /nfs/dbraw/zinc/76/68/52/556766852.db2.gz XKESFJMTYGBTKX-OPYAIIAOSA-N 0 0 442.535 4.047 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3nnc(C4CC4)s3)C2=O)cc1 ZINC000058202323 556771355 /nfs/dbraw/zinc/77/13/55/556771355.db2.gz HMKWBSGBFTXTBQ-UYRXBGFRSA-N 0 0 432.505 4.454 50 0 IIAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)c1n[nH]c(CCC2CCCC2)n1 ZINC000058218838 556773248 /nfs/dbraw/zinc/77/32/48/556773248.db2.gz BFWCUYRAIMQWMU-UHFFFAOYSA-N 0 0 433.965 4.049 50 0 IIAARN Cc1ccc(-n2cnnc2SCC(=O)N(C)[C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000058225794 556773779 /nfs/dbraw/zinc/77/37/79/556773779.db2.gz NFOIPHVFXJEGNX-QHCPKHFHSA-N 0 0 447.539 4.450 50 0 IIAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000058278411 556777257 /nfs/dbraw/zinc/77/72/57/556777257.db2.gz GWVADXVWRFUQGP-UHFFFAOYSA-N 0 0 425.508 4.244 50 0 IIAARN Cn1ccc2c1cccc2NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000058300355 556778535 /nfs/dbraw/zinc/77/85/35/556778535.db2.gz KTQGDTAGCAYFOZ-UHFFFAOYSA-N 0 0 439.581 4.314 50 0 IIAARN CN(C)c1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)nc1 ZINC000058402470 556785387 /nfs/dbraw/zinc/78/53/87/556785387.db2.gz LPMGIAWUDSZOCJ-UHFFFAOYSA-N 0 0 431.265 4.489 50 0 IIAARN Cc1nc2cc(F)cc(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)c2nc1C ZINC000058402374 556785416 /nfs/dbraw/zinc/78/54/16/556785416.db2.gz SXASVFHQJRFXOA-UHFFFAOYSA-N 0 0 427.426 4.399 50 0 IIAARN CC(C)OCc1cccc(CNC(=O)c2cccc(-n3cc(Br)cn3)c2)c1 ZINC000058404559 556785583 /nfs/dbraw/zinc/78/55/83/556785583.db2.gz QPOAMLDCKPMKII-UHFFFAOYSA-N 0 0 428.330 4.490 50 0 IIAARN Cc1cc(=O)oc2cc(NC(=O)N[C@@H](C)[C@@H](O)c3ccc(Br)cc3)ccc12 ZINC000058440610 556788995 /nfs/dbraw/zinc/78/89/95/556788995.db2.gz WBPIDCRXONNYSF-HXPMCKFVSA-N 0 0 431.286 4.108 50 0 IIAARN COc1cc(OC)c(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000058532260 556789739 /nfs/dbraw/zinc/78/97/39/556789739.db2.gz YYPHETZBAJRYQF-UHFFFAOYSA-N 0 0 435.402 4.478 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1 ZINC000011185524 556792461 /nfs/dbraw/zinc/79/24/61/556792461.db2.gz BQTFCRJKBAZUFS-GOSISDBHSA-N 0 0 439.560 4.257 50 0 IIAARN CC(C)NC(=O)N(C)c1ccc(OC(=O)c2ccc(I)cc2)cc1 ZINC000059120586 556794990 /nfs/dbraw/zinc/79/49/90/556794990.db2.gz IHSLRMFWGWDWMS-UHFFFAOYSA-N 0 0 438.265 4.065 50 0 IIAARN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000059370175 556799078 /nfs/dbraw/zinc/79/90/78/556799078.db2.gz BKNHGHITPFZSLM-JTQLQIEISA-N 0 0 449.292 4.306 50 0 IIAARN COc1cccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)c1 ZINC000059437675 556801255 /nfs/dbraw/zinc/80/12/55/556801255.db2.gz AUJDMQCTQUORLC-UHFFFAOYSA-N 0 0 431.521 4.173 50 0 IIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCn2cncn2)c1 ZINC000059766849 556804475 /nfs/dbraw/zinc/80/44/75/556804475.db2.gz YPERQWASZGAYNZ-LJQANCHMSA-N 0 0 428.492 4.430 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1OC(F)F ZINC000003244213 556806803 /nfs/dbraw/zinc/80/68/03/556806803.db2.gz VXSWZWPXJLGQSA-XVNBXDOJSA-N 0 0 429.778 4.284 50 0 IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003275906 556807803 /nfs/dbraw/zinc/80/78/03/556807803.db2.gz KGIYDDBWAMSQKX-QMMMGPOBSA-N 0 0 443.747 4.133 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2F)sc2c1CC[C@H](C)C2 ZINC000003317756 556809972 /nfs/dbraw/zinc/80/99/72/556809972.db2.gz HPIDXQSPBWDMSQ-NSHDSACASA-N 0 0 437.464 4.123 50 0 IIAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)OCc1ccccc1 ZINC000003320504 556810167 /nfs/dbraw/zinc/81/01/67/556810167.db2.gz DUAULDHMNNYWPA-QHCPKHFHSA-N 0 0 439.508 4.247 50 0 IIAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1 ZINC000003428882 556815122 /nfs/dbraw/zinc/81/51/22/556815122.db2.gz IHHRLAIWZTVPBP-UHFFFAOYSA-N 0 0 440.521 4.455 50 0 IIAARN CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000072402557 556815907 /nfs/dbraw/zinc/81/59/07/556815907.db2.gz MHGDNEYBRQGEMU-OAQYLSRUSA-N 0 0 435.553 4.474 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)NCC1CCCCC1 ZINC000003376486 556816276 /nfs/dbraw/zinc/81/62/76/556816276.db2.gz YWQZWNYQDZGZOS-VAWYXSNFSA-N 0 0 433.911 4.226 50 0 IIAARN COc1cc(NC(=O)COc2ccc(Br)cc2Br)cc(OC)c1 ZINC000003515863 556817176 /nfs/dbraw/zinc/81/71/76/556817176.db2.gz CVQHYTYKGTZFCM-UHFFFAOYSA-N 0 0 445.107 4.246 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccc(Cl)c2)C12CCCC2 ZINC000072402722 556818210 /nfs/dbraw/zinc/81/82/10/556818210.db2.gz WGVJTICEINKXOT-OAQYLSRUSA-N 0 0 426.944 4.155 50 0 IIAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n2C)cc1 ZINC000033064350 556819052 /nfs/dbraw/zinc/81/90/52/556819052.db2.gz XELCNUKLYIZDNU-UHFFFAOYSA-N 0 0 436.537 4.153 50 0 IIAARN CCn1c(COc2cccc(C)c2)nnc1SCc1cc(=O)c2cccc(OC)c2[nH]1 ZINC000033067736 556819590 /nfs/dbraw/zinc/81/95/90/556819590.db2.gz SMRLDKRHGJGYRK-UHFFFAOYSA-N 0 0 436.537 4.328 50 0 IIAARN CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033068324 556822009 /nfs/dbraw/zinc/82/20/09/556822009.db2.gz OJCVCRVOMRWVTM-UHFFFAOYSA-N 0 0 443.503 4.162 50 0 IIAARN COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1c(C)nc2sccn12 ZINC000064002286 556822465 /nfs/dbraw/zinc/82/24/65/556822465.db2.gz AFUWYEDUSXNFBI-FPOVZHCZSA-N 0 0 444.560 4.370 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1CCc1cccs1 ZINC000064662139 556826232 /nfs/dbraw/zinc/82/62/32/556826232.db2.gz JORBMEQWDGDQFH-QFIPXVFZSA-N 0 0 427.595 4.280 50 0 IIAARN CCCCNC(=O)c1ccc(CN2c3cc(-c4ccc(OC)cc4)nn3CCC2=O)cc1 ZINC000064816799 556827567 /nfs/dbraw/zinc/82/75/67/556827567.db2.gz WXKUXJYMYWZDGQ-UHFFFAOYSA-N 0 0 432.524 4.026 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)c(C)c1 ZINC000065002876 556831201 /nfs/dbraw/zinc/83/12/01/556831201.db2.gz XVXLRDSKILYZLU-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)cc32)c1 ZINC000065002952 556831251 /nfs/dbraw/zinc/83/12/51/556831251.db2.gz SUNOMXHGJZABKA-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN O=C(/C=C/c1cccs1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997712 556838631 /nfs/dbraw/zinc/83/86/31/556838631.db2.gz FVABMEVSISVHHC-FNORWQNLSA-N 0 0 431.558 4.266 50 0 IIAARN O=C(/C=C/c1cccs1)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997460 556839511 /nfs/dbraw/zinc/83/95/11/556839511.db2.gz KORNFQIGFYSEPO-BQYQJAHWSA-N 0 0 431.558 4.266 50 0 IIAARN O=C(CCSc1ccccc1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998321 556840792 /nfs/dbraw/zinc/84/07/92/556840792.db2.gz MQSAPJTVMRSCKU-UHFFFAOYSA-N 0 0 445.585 4.283 50 0 IIAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000008691155 556842608 /nfs/dbraw/zinc/84/26/08/556842608.db2.gz GYAISFCJOYHMMO-CQSZACIVSA-N 0 0 432.542 4.390 50 0 IIAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc(C)n2)cc1 ZINC000067629744 556845050 /nfs/dbraw/zinc/84/50/50/556845050.db2.gz YGKQAYCXNOSVOD-UHFFFAOYSA-N 0 0 438.482 4.469 50 0 IIAARN Cc1sc2nc(-c3cccs3)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C ZINC000008750726 556845390 /nfs/dbraw/zinc/84/53/90/556845390.db2.gz PLWGDKZMLNGMBI-UHFFFAOYSA-N 0 0 444.607 4.339 50 0 IIAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(Cl)nc3)c2C)cc1 ZINC000008883314 556850736 /nfs/dbraw/zinc/85/07/36/556850736.db2.gz QMWWVXWQJRXDAK-UHFFFAOYSA-N 0 0 426.900 4.444 50 0 IIAARN Cc1ccc(Cn2c(CCCC(=O)NCc3ccc4c(c3)OCO4)nc3cccnc32)cc1 ZINC000033072664 556852299 /nfs/dbraw/zinc/85/22/99/556852299.db2.gz OMHBIGBZSBHFAO-UHFFFAOYSA-N 0 0 442.519 4.156 50 0 IIAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033072858 556852504 /nfs/dbraw/zinc/85/25/04/556852504.db2.gz JBAVCYHXVPGUKM-UHFFFAOYSA-N 0 0 446.482 4.351 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cc(OC)ccc3OC)C2)s1 ZINC000033078306 556853202 /nfs/dbraw/zinc/85/32/02/556853202.db2.gz BSTVWUVCEPJTTE-AWEZNQCLSA-N 0 0 426.542 4.126 50 0 IIAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3cccc(Br)c3)cc12 ZINC000033084508 556854727 /nfs/dbraw/zinc/85/47/27/556854727.db2.gz ATPWNAXCGMKBBF-UHFFFAOYSA-N 0 0 426.314 4.395 50 0 IIAARN Cc1cc(SCC(=O)Nc2ccccc2Cl)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087801 556855516 /nfs/dbraw/zinc/85/55/16/556855516.db2.gz GWFJISPNFKFHFQ-UHFFFAOYSA-N 0 0 449.985 4.178 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033088391 556856451 /nfs/dbraw/zinc/85/64/51/556856451.db2.gz ZJJGYEIKHHRIJK-UHFFFAOYSA-N 0 0 443.360 4.404 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)NCc3ccccc3)C2)s1 ZINC000033113031 556859694 /nfs/dbraw/zinc/85/96/94/556859694.db2.gz UWUWERYWHRXBBR-MRXNPFEDSA-N 0 0 439.516 4.019 50 0 IIAARN CCCCN(C)C(=O)c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000033114321 556861331 /nfs/dbraw/zinc/86/13/31/556861331.db2.gz GMVUYLDZDDBHML-UHFFFAOYSA-N 0 0 442.516 4.381 50 0 IIAARN CCOc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127963 556864820 /nfs/dbraw/zinc/86/48/20/556864820.db2.gz PKZAKEFCCOILKB-QFIPXVFZSA-N 0 0 429.520 4.407 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2=O)cc1Cl ZINC000033128205 556865279 /nfs/dbraw/zinc/86/52/79/556865279.db2.gz ZPTFYVSYGJTYFT-AWEZNQCLSA-N 0 0 431.920 4.130 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1Cl ZINC000033128331 556865472 /nfs/dbraw/zinc/86/54/72/556865472.db2.gz URMCLNSANWAFSG-AWEZNQCLSA-N 0 0 429.929 4.322 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1 ZINC000033126020 556866694 /nfs/dbraw/zinc/86/66/94/556866694.db2.gz HHCHLIRFMIDELZ-UHFFFAOYSA-N 0 0 435.634 4.035 50 0 IIAARN CCc1ccc(CNC(=O)CSc2scnc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033126224 556867015 /nfs/dbraw/zinc/86/70/15/556867015.db2.gz NYJHCDSGMNMPDD-UHFFFAOYSA-N 0 0 446.619 4.255 50 0 IIAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc21 ZINC000033130105 556869690 /nfs/dbraw/zinc/86/96/90/556869690.db2.gz PXDPGWHQXLHODO-UHFFFAOYSA-N 0 0 438.347 4.114 50 0 IIAARN CCCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000015954000 556880402 /nfs/dbraw/zinc/88/04/02/556880402.db2.gz AEGPEEMAIWHGII-IBVKSMDESA-N 0 0 441.568 4.367 50 0 biogenic IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033171038 556881985 /nfs/dbraw/zinc/88/19/85/556881985.db2.gz QWHQGGIJJKPPGZ-XFFZJAGNSA-N 0 0 429.473 4.360 50 0 IIAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)c1NC(=O)C1CC1 ZINC000033171088 556882074 /nfs/dbraw/zinc/88/20/74/556882074.db2.gz JPKSNWVDEIQDTP-GHXNOFRVSA-N 0 0 441.484 4.442 50 0 IIAARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033171374 556882247 /nfs/dbraw/zinc/88/22/47/556882247.db2.gz AYPWSTKIDOZMGR-UHFFFAOYSA-N 0 0 426.542 4.216 50 0 IIAARN Cc1cccc(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)c1 ZINC000033174722 556884304 /nfs/dbraw/zinc/88/43/04/556884304.db2.gz GJWFIDWCJLRJKA-UHFFFAOYSA-N 0 0 426.442 4.433 50 0 IIAARN Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n(-c2cccc(Br)c2)n1 ZINC000033176553 556886936 /nfs/dbraw/zinc/88/69/36/556886936.db2.gz YHQDNJQIMJDYBM-MRXNPFEDSA-N 0 0 425.286 4.008 50 0 IIAARN COc1ccc(-c2n[nH]cc2CN2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000019743517 556888294 /nfs/dbraw/zinc/88/82/94/556888294.db2.gz AASJXAJVBCTIFA-UHFFFAOYSA-N 0 0 426.948 4.065 50 0 IIAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)cc2)no1 ZINC000033254424 556890559 /nfs/dbraw/zinc/89/05/59/556890559.db2.gz BAKRVMLFVYBDKK-QHCPKHFHSA-N 0 0 444.535 4.091 50 0 IIAARN COc1ccc(CCNC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000033252357 556892981 /nfs/dbraw/zinc/89/29/81/556892981.db2.gz JTCHXIHNEVILKI-UHFFFAOYSA-N 0 0 429.476 4.393 50 0 biogenic IIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)nc1 ZINC000072139279 556899319 /nfs/dbraw/zinc/89/93/19/556899319.db2.gz MEHYHRNXRFHLJX-UHFFFAOYSA-N 0 0 430.556 4.184 50 0 IIAARN CN1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)C[C@@H]1c1ccccc1 ZINC000019791004 556914909 /nfs/dbraw/zinc/91/49/09/556914909.db2.gz CYWIWKYWLQBNBA-HXUWFJFHSA-N 0 0 429.879 4.175 50 0 IIAARN CCCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000019792343 556915734 /nfs/dbraw/zinc/91/57/34/556915734.db2.gz MFBWICGWWLUTHP-UHFFFAOYSA-N 0 0 433.552 4.143 50 0 IIAARN COc1ccccc1N1CCN(C(=O)CCc2sc(C)nc2-c2cccs2)CC1 ZINC000019819556 556922929 /nfs/dbraw/zinc/92/29/29/556922929.db2.gz ZWCVAMFPZVORLI-UHFFFAOYSA-N 0 0 427.595 4.470 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000019823957 556925377 /nfs/dbraw/zinc/92/53/77/556925377.db2.gz FUJSSAAMZVROSJ-UHFFFAOYSA-N 0 0 448.504 4.353 50 0 IIAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000019839978 556929459 /nfs/dbraw/zinc/92/94/59/556929459.db2.gz KDMJZUHFRIQDKU-MRXNPFEDSA-N 0 0 431.380 4.447 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccccn2)N2CCOCC2)cc1 ZINC000019880862 556936977 /nfs/dbraw/zinc/93/69/77/556936977.db2.gz PIYAYRPJOLNDTC-QFIPXVFZSA-N 0 0 437.565 4.442 50 0 IIAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000019880575 556937039 /nfs/dbraw/zinc/93/70/39/556937039.db2.gz XPIZXCHFVVYTLQ-UHFFFAOYSA-N 0 0 438.374 4.266 50 0 IIAARN CC1CCN(C[C@H](CS(=O)(=O)c2ccc3ccccc3c2)N2CCC(C)CC2)CC1 ZINC000019899401 556941677 /nfs/dbraw/zinc/94/16/77/556941677.db2.gz UQGLPKMBJIDDJG-XMMPIXPASA-N 0 0 428.642 4.446 50 0 IIAARN CC(C)CCOc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019932588 556949356 /nfs/dbraw/zinc/94/93/56/556949356.db2.gz HIRPRXUSRLJRFJ-UHFFFAOYSA-N 0 0 442.585 4.352 50 0 IIAARN CCCCc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1CCCC2 ZINC000019946500 556954519 /nfs/dbraw/zinc/95/45/19/556954519.db2.gz QWOKOMQFJRFVBW-UHFFFAOYSA-N 0 0 425.602 4.205 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1 ZINC000019958590 556954998 /nfs/dbraw/zinc/95/49/98/556954998.db2.gz IHSCPQUQRQFYMB-UHFFFAOYSA-N 0 0 448.374 4.424 50 0 IIAARN COc1ccc(-c2c(C)nn3c2ncc2c3ccn(-c3ccc(OC)cc3OC)c2=O)cc1 ZINC000019962659 556955858 /nfs/dbraw/zinc/95/58/58/556955858.db2.gz QVRIEXFHUSMTAH-UHFFFAOYSA-N 0 0 442.475 4.035 50 0 IIAARN NC(=O)C1=C(N)S[C@]23CCCC[C@]12Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3 ZINC000020018516 556963305 /nfs/dbraw/zinc/96/33/05/556963305.db2.gz IXMYLDGIHBRZGL-LSDHHAIUSA-N 0 0 442.151 4.483 50 0 IIAARN COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000020052283 556975063 /nfs/dbraw/zinc/97/50/63/556975063.db2.gz BGGWENPPFYUHOM-OAQYLSRUSA-N 0 0 440.979 4.002 50 0 IIAARN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C2CC2)cc1 ZINC000011234642 556979113 /nfs/dbraw/zinc/97/91/13/556979113.db2.gz XZUDBJMOZVJNPC-JOCHJYFZSA-N 0 0 447.000 4.317 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1 ZINC000020095579 556979445 /nfs/dbraw/zinc/97/94/45/556979445.db2.gz MLMDKHFOUJUOCB-KRWDZBQOSA-N 0 0 447.535 4.314 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1Cl ZINC000020095725 556979521 /nfs/dbraw/zinc/97/95/21/556979521.db2.gz TWUPMRPBIJZGPH-HNNXBMFYSA-N 0 0 441.915 4.397 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000020100640 556980051 /nfs/dbraw/zinc/98/00/51/556980051.db2.gz CPSOGUJTSMBTEN-UHFFFAOYSA-N 0 0 444.450 4.025 50 0 IIAARN 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/nfs/dbraw/zinc/25/70/40/557257040.db2.gz LRZOTALKEFRMLB-HNNXBMFYSA-N 0 0 448.791 4.166 50 0 IIAARN CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1C ZINC000101161070 557257471 /nfs/dbraw/zinc/25/74/71/557257471.db2.gz DAWULLYGJZEAKW-UHFFFAOYSA-N 0 0 438.553 4.089 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)O[C@@H](C)C2 ZINC000027136179 557257633 /nfs/dbraw/zinc/25/76/33/557257633.db2.gz SBSKDWIHXACOGX-BVZFJXPGSA-N 0 0 444.531 4.196 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c(=O)oc2c1 ZINC000027153863 557258179 /nfs/dbraw/zinc/25/81/79/557258179.db2.gz VYGCKDOBQIJFDO-NRFANRHFSA-N 0 0 449.503 4.178 50 0 IIAARN CCc1sc2nc(SCc3noc(C)n3)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000027444903 557262504 /nfs/dbraw/zinc/26/25/04/557262504.db2.gz LJGFEBWPXLGUOD-UHFFFAOYSA-N 0 0 428.539 4.310 50 0 IIAARN O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCC2(CC1)OCCO2 ZINC000032954075 557262723 /nfs/dbraw/zinc/26/27/23/557262723.db2.gz DCYVGTRGNXCGJS-UHFFFAOYSA-N 0 0 425.872 4.036 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000100543012 557263955 /nfs/dbraw/zinc/26/39/55/557263955.db2.gz DHTZFHXHQSBJBT-GOSISDBHSA-N 0 0 446.304 4.427 50 0 IIAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100578030 557265347 /nfs/dbraw/zinc/26/53/47/557265347.db2.gz DLAKHDLQSQYGKF-QFIPXVFZSA-N 0 0 448.906 4.323 50 0 IIAARN O=C1C[C@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100637731 557267038 /nfs/dbraw/zinc/26/70/38/557267038.db2.gz YUXGEAYYXPGKHO-SFHVURJKSA-N 0 0 425.941 4.461 50 0 IIAARN CC(C)Oc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027663533 557269764 /nfs/dbraw/zinc/26/97/64/557269764.db2.gz PPOXDNAWIDLGPJ-INIZCTEOSA-N 0 0 439.936 4.096 50 0 IIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000027673936 557271233 /nfs/dbraw/zinc/27/12/33/557271233.db2.gz QAXLQCDYXGZAGQ-LJQANCHMSA-N 0 0 441.984 4.023 50 0 IIAARN COc1cc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc(OC)c1 ZINC000101321145 557273423 /nfs/dbraw/zinc/27/34/23/557273423.db2.gz WTWSXNBVGLSLNH-UHFFFAOYSA-N 0 0 435.505 4.262 50 0 IIAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)cc1 ZINC000027792761 557274067 /nfs/dbraw/zinc/27/40/67/557274067.db2.gz XKMZQIUQVGEROE-HXUWFJFHSA-N 0 0 430.552 4.132 50 0 IIAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000027793321 557274489 /nfs/dbraw/zinc/27/44/89/557274489.db2.gz ACIUYCPYNYGYME-NRFANRHFSA-N 0 0 446.528 4.324 50 0 IIAARN O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100821370 557276683 /nfs/dbraw/zinc/27/66/83/557276683.db2.gz MGAIKPJBMNRMFP-SFHVURJKSA-N 0 0 438.742 4.101 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(O)c23)cc1 ZINC000101361453 557276885 /nfs/dbraw/zinc/27/68/85/557276885.db2.gz IPKXEGBMKUGFHF-IFMALSPDSA-N 0 0 431.879 4.131 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(C)cc1C ZINC000101367807 557277755 /nfs/dbraw/zinc/27/77/55/557277755.db2.gz SXKHQMCQAQDSJY-JOCHJYFZSA-N 0 0 439.581 4.358 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@@H]1c1cc(C)ccc1C ZINC000101367975 557277997 /nfs/dbraw/zinc/27/79/97/557277997.db2.gz OKDKDTKSWFOLMJ-OAQYLSRUSA-N 0 0 425.554 4.110 50 0 IIAARN O=C(Cc1cccc2ccccc21)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000014015537 557281153 /nfs/dbraw/zinc/28/11/53/557281153.db2.gz VDVPVKIFCPYPCJ-UHFFFAOYSA-N 0 0 434.561 4.434 50 0 IIAARN NC(=O)C1=C(N)S[C@@]23CCCC[C@]12Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3 ZINC000101023411 557281409 /nfs/dbraw/zinc/28/14/09/557281409.db2.gz IXMYLDGIHBRZGL-GJZGRUSLSA-N 0 0 442.151 4.483 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)OCC)c1C ZINC000000830904 557289555 /nfs/dbraw/zinc/28/95/55/557289555.db2.gz HFXQOSNHTDDLBV-UHFFFAOYSA-N 0 0 440.315 4.425 50 0 IIAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628748 557291681 /nfs/dbraw/zinc/29/16/81/557291681.db2.gz KRBLAOIVXKIAPS-BGYRXZFFSA-N 0 0 440.565 4.088 50 0 IIAARN CCN1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000101676529 557293256 /nfs/dbraw/zinc/29/32/56/557293256.db2.gz JWKFQTYWZFENDT-OAQYLSRUSA-N 0 0 425.488 4.087 50 0 IIAARN CC(C)Cc1csc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000031821068 557294398 /nfs/dbraw/zinc/29/43/98/557294398.db2.gz SHIWNRBUBXEYGZ-UHFFFAOYSA-N 0 0 443.532 4.249 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 ZINC000014069596 557297417 /nfs/dbraw/zinc/29/74/17/557297417.db2.gz BLHTXZSNIMEOPI-UHFFFAOYSA-N 0 0 436.487 4.500 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000014071043 557297623 /nfs/dbraw/zinc/29/76/23/557297623.db2.gz IAHFEYANCTVITH-FDDCHVKYSA-N 0 0 447.535 4.400 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828494 557300110 /nfs/dbraw/zinc/30/01/10/557300110.db2.gz LFSVOYAMOSSECW-UHFFFAOYSA-N 0 0 428.879 4.402 50 0 IIAARN CC(C)c1ccc(OCc2nnc(SCc3nc(-c4cccs4)no3)n2N)cc1 ZINC000014077482 557300290 /nfs/dbraw/zinc/30/02/90/557300290.db2.gz KTVKKMMWUPOOFH-UHFFFAOYSA-N 0 0 428.543 4.098 50 0 IIAARN Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877957 557304414 /nfs/dbraw/zinc/30/44/14/557304414.db2.gz YAZYYEVMHWGQIT-UHFFFAOYSA-N 0 0 429.524 4.313 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000014115578 557305889 /nfs/dbraw/zinc/30/58/89/557305889.db2.gz KVFHGHXZRWFHJH-OAQYLSRUSA-N 0 0 447.560 4.230 50 0 IIAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](Sc5ncccn5)C4=O)cc3)sc2c1 ZINC000101893544 557306061 /nfs/dbraw/zinc/30/60/61/557306061.db2.gz UNSHVRDMCDIKAU-GOSISDBHSA-N 0 0 432.530 4.486 50 0 IIAARN CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccccc3)N12 ZINC000102745686 557306804 /nfs/dbraw/zinc/30/68/04/557306804.db2.gz QVQGCQHRMGFPDN-QFIPXVFZSA-N 0 0 432.549 4.426 50 0 IIAARN COC(=O)c1sccc1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000101948303 557308839 /nfs/dbraw/zinc/30/88/39/557308839.db2.gz GMCWKLGSYWNQPB-UHFFFAOYSA-N 0 0 439.518 4.092 50 0 IIAARN Cc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000832065 557312223 /nfs/dbraw/zinc/31/22/23/557312223.db2.gz ARLJKMYMJVJZGZ-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@]32c3ccccc3NC2=O)cc1 ZINC000102112701 557312478 /nfs/dbraw/zinc/31/24/78/557312478.db2.gz HMLBUJGTSCOVQM-AREMUKBSSA-N 0 0 435.487 4.174 50 0 IIAARN O=C(/C=C/c1cccc(Cl)c1Cl)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000032901503 557317156 /nfs/dbraw/zinc/31/71/56/557317156.db2.gz HKCBUDCRGAPWLF-MDZDMXLPSA-N 0 0 432.351 4.226 50 0 IIAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2s1 ZINC000032959719 557319144 /nfs/dbraw/zinc/31/91/44/557319144.db2.gz VIWZXJDDISOSSH-UHFFFAOYSA-N 0 0 443.525 4.242 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1c(OC)cccc1OC ZINC000032995764 557322009 /nfs/dbraw/zinc/32/20/09/557322009.db2.gz OFRYJPKLJUGYKV-UHFFFAOYSA-N 0 0 449.536 4.416 50 0 IIAARN CC(C)(C)OC(=O)NC1(CNC(=O)c2cncc(Br)c2)CCCCCC1 ZINC000024493519 557326342 /nfs/dbraw/zinc/32/63/42/557326342.db2.gz HHFXKNWPJFYAGO-UHFFFAOYSA-N 0 0 426.355 4.192 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033252445 557327671 /nfs/dbraw/zinc/32/76/71/557327671.db2.gz YYMGPNMKYBVTAH-UHFFFAOYSA-N 0 0 433.439 4.490 50 0 IIAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1OC ZINC000033268836 557328640 /nfs/dbraw/zinc/32/86/40/557328640.db2.gz HKBDBWDQGAKTAL-UHFFFAOYSA-N 0 0 435.549 4.284 50 0 IIAARN O[C@@H]1C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000104849165 557329140 /nfs/dbraw/zinc/32/91/40/557329140.db2.gz PDGHLARNGSMEJE-XUJYPJAKSA-N 0 0 434.532 4.481 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c(C)c1 ZINC000033284483 557332082 /nfs/dbraw/zinc/33/20/82/557332082.db2.gz IVRDMJDANLPRAO-UHFFFAOYSA-N 0 0 445.548 4.007 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C1 ZINC000014358393 557335958 /nfs/dbraw/zinc/33/59/58/557335958.db2.gz CHQXCKJIIXZIIE-GOSISDBHSA-N 0 0 440.544 4.442 50 0 IIAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014383682 557336994 /nfs/dbraw/zinc/33/69/94/557336994.db2.gz BXJXJGWDGQYLTB-UHFFFAOYSA-N 0 0 436.270 4.475 50 0 IIAARN C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc2c(c1)OCO2 ZINC000014484901 557338428 /nfs/dbraw/zinc/33/84/28/557338428.db2.gz IXJHTBXZEGXBHH-QGZVFWFLSA-N 0 0 429.476 4.221 50 0 IIAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000072318946 557339670 /nfs/dbraw/zinc/33/96/70/557339670.db2.gz PDLXFARPOZDWIS-KHCKMINHSA-N 0 0 428.488 4.401 50 0 IIAARN COc1ccc(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000023329796 557339701 /nfs/dbraw/zinc/33/97/01/557339701.db2.gz YOMMKDVSMJYNBY-UHFFFAOYSA-N 0 0 436.502 4.450 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3OC)C(=O)C2)cc1 ZINC000102530242 557341669 /nfs/dbraw/zinc/34/16/69/557341669.db2.gz AFPYZPGQXDNTNT-UHFFFAOYSA-N 0 0 429.476 4.200 50 0 IIAARN CN1C(=S)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc(O)cc1O ZINC000023332078 557344257 /nfs/dbraw/zinc/34/42/57/557344257.db2.gz MHZLVFGPVYMBQD-FYJGNVAPSA-N 0 0 432.501 4.281 50 0 IIAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000014623096 557345734 /nfs/dbraw/zinc/34/57/34/557345734.db2.gz CKRLNVYNQXUAKM-UHFFFAOYSA-N 0 0 439.356 4.170 50 0 IIAARN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000014637313 557346309 /nfs/dbraw/zinc/34/63/09/557346309.db2.gz CSPAUSIBHDJXKA-SFHVURJKSA-N 0 0 445.519 4.262 50 0 IIAARN COC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC)c(OC)c1 ZINC000014673972 557347980 /nfs/dbraw/zinc/34/79/80/557347980.db2.gz GMNLHCLXILAJCY-GHRIWEEISA-N 0 0 447.487 4.459 50 0 IIAARN O=C([C@H]1COc2ccccc2O1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023334863 557349738 /nfs/dbraw/zinc/34/97/38/557349738.db2.gz AXPUJYPWLYYGJH-RPBOFIJWSA-N 0 0 448.950 4.414 50 0 IIAARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ncnn32)cc1 ZINC000102594261 557357174 /nfs/dbraw/zinc/35/71/74/557357174.db2.gz OCLKUOMLXYLSML-VGSWGCGISA-N 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CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 ZINC000102744826 557377441 /nfs/dbraw/zinc/37/74/41/557377441.db2.gz PCCSBMLLHSWUIE-KJWPAHLWSA-N 0 0 441.499 4.173 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ccccn3)CC2)cc1 ZINC000023968336 557389383 /nfs/dbraw/zinc/38/93/83/557389383.db2.gz DKIOAAVYRIOWGL-UHFFFAOYSA-N 0 0 425.536 4.265 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NC1CCCCCC1 ZINC000011695030 557393219 /nfs/dbraw/zinc/39/32/19/557393219.db2.gz ZBVGMENRZBRQTJ-UHFFFAOYSA-N 0 0 432.567 4.228 50 0 IIAARN COC(=O)c1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)cc1 ZINC000011695964 557393643 /nfs/dbraw/zinc/39/36/43/557393643.db2.gz MJSMNRLDLGGSCX-UHFFFAOYSA-N 0 0 442.431 4.377 50 0 IIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000013956460 557398228 /nfs/dbraw/zinc/39/82/28/557398228.db2.gz JNYQSOBNPUICGW-KRWDZBQOSA-N 0 0 443.617 4.026 50 0 IIAARN NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)N=C3Nc3ccccc3)o2)cc1 ZINC000033568217 557411750 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aggregator IIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)cc1 ZINC000008604198 562956328 /nfs/dbraw/zinc/95/63/28/562956328.db2.gz DMRANFZSGHMPNG-FQEVSTJZSA-N 0 0 437.565 4.398 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000008604191 562956330 /nfs/dbraw/zinc/95/63/30/562956330.db2.gz ZSHRLFBSQOTPGK-QGZVFWFLSA-N 0 0 443.956 4.236 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4ccc(Br)o4)ccc32)c1 ZINC000008607205 562957272 /nfs/dbraw/zinc/95/72/72/562957272.db2.gz GWYFUVRQCDGQHT-UHFFFAOYSA-N 0 0 439.309 4.483 50 0 IIAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000008609079 562957621 /nfs/dbraw/zinc/95/76/21/562957621.db2.gz GQRHNNHTAQKEQI-UHFFFAOYSA-N 0 0 447.878 4.142 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1ccc(C)cc1Cl ZINC000008609224 562957700 /nfs/dbraw/zinc/95/77/00/562957700.db2.gz IWTUWTBZLIJVGN-SFHVURJKSA-N 0 0 432.904 4.360 50 0 IIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1c(C)cccc1C 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CTTMIMXUVKBPST-AWEZNQCLSA-N 0 0 436.357 4.366 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000008860275 562965340 /nfs/dbraw/zinc/96/53/40/562965340.db2.gz XHMZFNDGTLMFIO-HSZRJFAPSA-N 0 0 443.503 4.378 50 0 IIAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000009057909 562966758 /nfs/dbraw/zinc/96/67/58/562966758.db2.gz XABCXCULNWIETR-HXUWFJFHSA-N 0 0 425.575 4.096 50 0 IIAARN Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1ccccc1Cl ZINC000009409760 562970278 /nfs/dbraw/zinc/97/02/78/562970278.db2.gz IZZCQZLPAMYSOB-UHFFFAOYSA-N 0 0 446.941 4.231 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009410916 562970323 /nfs/dbraw/zinc/97/03/23/562970323.db2.gz PSMNIPWPMBJACK-FQEVSTJZSA-N 0 0 441.484 4.172 50 0 IIAARN CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1cccs1 ZINC000009465345 562971644 /nfs/dbraw/zinc/97/16/44/562971644.db2.gz XFFKNCXOGHDQDV-UHFFFAOYSA-N 0 0 443.594 4.034 50 0 IIAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)nn12 ZINC000009546069 562973151 /nfs/dbraw/zinc/97/31/51/562973151.db2.gz YEUSLBLMDGXHPS-UHFFFAOYSA-N 0 0 429.505 4.362 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3cccs3)C2)cc1 ZINC000009673744 562975241 /nfs/dbraw/zinc/97/52/41/562975241.db2.gz NZRKYZLPCBBBRQ-LJQANCHMSA-N 0 0 443.525 4.250 50 0 IIAARN Cc1ccccc1C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccs1 ZINC000009673790 562975256 /nfs/dbraw/zinc/97/52/56/562975256.db2.gz PYJUZVOMJWWNNM-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2cccs2)cc1 ZINC000009673751 562975283 /nfs/dbraw/zinc/97/52/83/562975283.db2.gz ZWDFCUJSKFMYMB-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nncs2)cc1OC ZINC000009882748 562977722 /nfs/dbraw/zinc/97/77/22/562977722.db2.gz RGOHMJUVTHFCOU-AWEZNQCLSA-N 0 0 446.579 4.087 50 0 IIAARN CSc1ccccc1OCc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)no1 ZINC000012307859 562981070 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IIAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F ZINC000017149711 563021426 /nfs/dbraw/zinc/02/14/26/563021426.db2.gz NJFVQXNOQFBVOF-UHFFFAOYSA-N 0 0 446.450 4.498 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000020280366 563024377 /nfs/dbraw/zinc/02/43/77/563024377.db2.gz NVMJQWPYYBMWQD-UHFFFAOYSA-N 0 0 429.314 4.407 50 0 IIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1csc(-c2cccs2)n1 ZINC000018948579 568629028 /nfs/dbraw/zinc/62/90/28/568629028.db2.gz KEDCHSUALUNTBX-UHFFFAOYSA-N 0 0 439.518 4.343 50 0 IIAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000000898771 568635179 /nfs/dbraw/zinc/63/51/79/568635179.db2.gz ODZMXGSTQCUIIP-UHFFFAOYSA-N 0 0 425.558 4.266 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 ZINC000000906779 568636183 /nfs/dbraw/zinc/63/61/83/568636183.db2.gz WOYSZVLXSKDPFZ-UHFFFAOYSA-N 0 0 429.933 4.014 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2C)c1 ZINC000000906787 568636361 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CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)NC(=O)N1 ZINC000000956306 568645871 /nfs/dbraw/zinc/64/58/71/568645871.db2.gz BPDBCULMCXDFKM-HSZRJFAPSA-N 0 0 442.471 4.277 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000000957780 568646025 /nfs/dbraw/zinc/64/60/25/568646025.db2.gz WQRDURRMPUELDU-UHFFFAOYSA-N 0 0 447.516 4.249 50 0 IIAARN CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000000958454 568646319 /nfs/dbraw/zinc/64/63/19/568646319.db2.gz FUVCFTCLWTWCHI-ZFWWWQNUSA-N 0 0 427.526 4.230 50 0 IIAARN Cc1cc(=O)oc2cc(OC(=O)c3cc4cc(Br)ccc4oc3=O)ccc12 ZINC000000959172 568646333 /nfs/dbraw/zinc/64/63/33/568646333.db2.gz YOPDGYDSGUFJST-UHFFFAOYSA-N 0 0 427.206 4.190 50 0 IIAARN O=C1c2ccccc2C(=O)N1c1cccc(-c2cs/c(=N\c3ccccc3)n2CCO)c1 ZINC000000969051 568647176 /nfs/dbraw/zinc/64/71/76/568647176.db2.gz ZKSUMYPXOAKUCJ-QPLCGJKRSA-N 0 0 441.512 4.242 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000979755 568648535 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IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1nc2ccccc2n1C(F)F)c1ccco1 ZINC000025469027 568659310 /nfs/dbraw/zinc/65/93/10/568659310.db2.gz YJTWCJYHTOYDOP-KRWDZBQOSA-N 0 0 439.418 4.109 50 0 IIAARN COc1ccc(C(=O)NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000015183514 568732210 /nfs/dbraw/zinc/73/22/10/568732210.db2.gz AYGFEVNDIXFFOI-UHFFFAOYSA-N 0 0 446.484 4.085 50 0 IIAARN CCN(CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000025576032 568736179 /nfs/dbraw/zinc/73/61/79/568736179.db2.gz POAUXJLNVZBAFO-UHFFFAOYSA-N 0 0 429.977 4.046 50 0 IIAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)nc1C ZINC000003643240 568752423 /nfs/dbraw/zinc/75/24/23/568752423.db2.gz OGZAMDCEQBBWBF-KRWDZBQOSA-N 0 0 432.457 4.094 50 0 IIAARN Cc1ccc(NC(=O)c2c(=O)n(-c3ccc(C)cc3)[n-][n+]2CCCc2ccccc2)cc1 ZINC000003765424 568754439 /nfs/dbraw/zinc/75/44/39/568754439.db2.gz BZZZAQKMPBIUOJ-UHFFFAOYSA-O 0 0 427.528 4.367 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)C1 ZINC000015317559 568755214 /nfs/dbraw/zinc/75/52/14/568755214.db2.gz ZSHVPXDUIAQYHW-GJZGRUSLSA-N 0 0 438.496 4.207 50 0 IIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004026366 568758738 /nfs/dbraw/zinc/75/87/38/568758738.db2.gz BXDDOPIRYWHDEN-GONLLIAKSA-N 0 0 432.557 4.032 50 0 biogenic IIAARN COc1ccc2cc([C@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)c(=O)[nH]c2c1 ZINC000263586586 568759290 /nfs/dbraw/zinc/75/92/90/568759290.db2.gz VYVATQGTQVDBDU-QGZVFWFLSA-N 0 0 443.455 4.294 50 0 biogenic IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)C3CCCCC3)[C@@H](c3ccccc3)C2)c1 ZINC000004036161 568759745 /nfs/dbraw/zinc/75/97/45/568759745.db2.gz ZHRVZNIFIPVOFF-JOCHJYFZSA-N 0 0 425.554 4.316 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cccc(-c2n[nH]c(C(C)C)n2)c1 ZINC000263587443 568760645 /nfs/dbraw/zinc/76/06/45/568760645.db2.gz GYIXJVBKSXBQSP-UHFFFAOYSA-N 0 0 433.512 4.214 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3nccnc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263587814 568760842 /nfs/dbraw/zinc/76/08/42/568760842.db2.gz LOFFBACOWZUBAQ-QHCPKHFHSA-N 0 0 437.503 4.366 50 0 IIAARN Cc1ccccc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015398116 568761715 /nfs/dbraw/zinc/76/17/15/568761715.db2.gz MEYGZKIUOAAFHI-NRFANRHFSA-N 0 0 436.577 4.328 50 0 IIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000015434234 568762177 /nfs/dbraw/zinc/76/21/77/568762177.db2.gz JLXUKHLXFJMPEV-UHFFFAOYSA-N 0 0 437.565 4.418 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccncc2)N2CCOCC2)cc1 ZINC000001236177 568768541 /nfs/dbraw/zinc/76/85/41/568768541.db2.gz YCLLOWRCHWHZBK-JOCHJYFZSA-N 0 0 437.565 4.442 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)ccc1O ZINC000001283362 568776748 /nfs/dbraw/zinc/77/67/48/568776748.db2.gz UFVUKQBFPYZUNC-JOCHJYFZSA-N 0 0 428.444 4.269 50 0 IIAARN COc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1OC ZINC000263617207 568777050 /nfs/dbraw/zinc/77/70/50/568777050.db2.gz MSKMCRDAXLEBTM-QFIPXVFZSA-N 0 0 433.508 4.037 50 0 IIAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC)cc5OC)no4)cc3CO2)cc1 ZINC000263619123 568777859 /nfs/dbraw/zinc/77/78/59/568777859.db2.gz WZYRPLLCJYIJDP-JOCHJYFZSA-N 0 0 448.479 4.288 50 0 IIAARN CC[C@@]1(C)Cc2c(sc3nc(S[C@@H](C)C(=O)OC)n(-c4ccccc4)c(=O)c32)CO1 ZINC000001302346 568779030 /nfs/dbraw/zinc/77/90/30/568779030.db2.gz DBDYWNDDMXPMDX-XMHCIUCPSA-N 0 0 444.578 4.342 50 0 IIAARN CCC[C@@H](C)NC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 ZINC000025749590 568779196 /nfs/dbraw/zinc/77/91/96/568779196.db2.gz QUERIRQHOWDAPP-MSOLQXFVSA-N 0 0 445.633 4.220 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Br)c2ccccc21)c1ccccc1 ZINC000001320495 568779878 /nfs/dbraw/zinc/77/98/78/568779878.db2.gz VBYDHMZREOEXNQ-HSZRJFAPSA-N 0 0 436.305 4.457 50 0 IIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccc(Cl)cc1 ZINC000001320934 568779881 /nfs/dbraw/zinc/77/98/81/568779881.db2.gz JCWZABPFBNQAHI-UHFFFAOYSA-N 0 0 438.896 4.222 50 0 IIAARN Cc1nn2c(nnc3c2ccn(-c2ccccc2)c3=O)c1-c1ccc(Br)cc1 ZINC000032100832 568780629 /nfs/dbraw/zinc/78/06/29/568780629.db2.gz UHRIMKRFRDMDLA-UHFFFAOYSA-N 0 0 432.281 4.166 50 0 IIAARN CC1CCC(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000004149194 568782183 /nfs/dbraw/zinc/78/21/83/568782183.db2.gz KRGNMUQBRNRFOY-UHFFFAOYSA-N 0 0 427.010 4.120 50 0 IIAARN O=C(c1sc2cc(F)ccc2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025815079 568782830 /nfs/dbraw/zinc/78/28/30/568782830.db2.gz IISDIHLOXYBOGR-LBPRGKRZSA-N 0 0 427.906 4.116 50 0 IIAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000083869722 568784075 /nfs/dbraw/zinc/78/40/75/568784075.db2.gz NKNBCKAVFWHIRG-UHFFFAOYSA-N 0 0 443.253 4.300 50 0 IIAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025834538 568784493 /nfs/dbraw/zinc/78/44/93/568784493.db2.gz LSUUTRVXMXQPRS-GOSISDBHSA-N 0 0 440.547 4.170 50 0 IIAARN O=S(=O)(c1ccccc1)[C@H](CCc1nnc[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000001388193 568784789 /nfs/dbraw/zinc/78/47/89/568784789.db2.gz XYHQCXUIBOPHIQ-CQSZACIVSA-N 0 0 430.839 4.020 50 0 IIAARN COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SCc1cccc(F)c1)=N2 ZINC000001399081 568785742 /nfs/dbraw/zinc/78/57/42/568785742.db2.gz JIBGAQKPUCEYOB-IBGZPJMESA-N 0 0 427.501 4.391 50 0 IIAARN CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000001396047 568785882 /nfs/dbraw/zinc/78/58/82/568785882.db2.gz KRTZTVFBBPPTKW-ZDUSSCGKSA-N 0 0 440.443 4.162 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000001401360 568786371 /nfs/dbraw/zinc/78/63/71/568786371.db2.gz HHKCJTFEUQXATN-HNNXBMFYSA-N 0 0 432.851 4.151 50 0 IIAARN CC[C@](C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001405726 568786885 /nfs/dbraw/zinc/78/68/85/568786885.db2.gz PVWKMLSGAITKHF-AREMUKBSSA-N 0 0 445.519 4.189 50 0 IIAARN COc1cccc(NC(=O)CN(C)CC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)c1 ZINC000015480610 568787841 /nfs/dbraw/zinc/78/78/41/568787841.db2.gz PNDOUNGSMJACRO-UHFFFAOYSA-N 0 0 437.515 4.054 50 0 IIAARN O=C(COc1ccc(F)cc1)Nc1ccc2cnn(C(=O)COc3ccc(F)cc3)c2c1 ZINC000002750030 568788975 /nfs/dbraw/zinc/78/89/75/568788975.db2.gz SGHGASBQSPBBPO-UHFFFAOYSA-N 0 0 437.402 4.051 50 0 IIAARN Cc1ccn([C@@H](C)C2N=NC(=S)N2c2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000002808495 568789591 /nfs/dbraw/zinc/78/95/91/568789591.db2.gz DSIBRURPFIBVMN-LBPRGKRZSA-N 0 0 434.356 4.222 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)n2)ccc1C ZINC000016647647 568790735 /nfs/dbraw/zinc/79/07/35/568790735.db2.gz RHVXCBWCPZOQAA-HNNXBMFYSA-N 0 0 438.915 4.339 50 0 IIAARN Cc1noc2nc(C)cc(C(=O)NCC3(c4cccc(Br)c4)CCOCC3)c12 ZINC000084083199 568791776 /nfs/dbraw/zinc/79/17/76/568791776.db2.gz RITJOXVMJYDKRD-UHFFFAOYSA-N 0 0 444.329 4.080 50 0 IIAARN C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(c1ccccc1)c1ccccc1 ZINC000084139790 568794555 /nfs/dbraw/zinc/79/45/55/568794555.db2.gz LHPPDDZJKXAFOE-UHDDLCQXSA-N 0 0 437.609 4.049 50 0 IIAARN COc1ccc2c(CC(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)coc2c1 ZINC000084199939 568796052 /nfs/dbraw/zinc/79/60/52/568796052.db2.gz YRKLNEHHCIYAJM-JWTNVVGKSA-N 0 0 428.529 4.373 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)s1 ZINC000084205058 568796076 /nfs/dbraw/zinc/79/60/76/568796076.db2.gz DJEPHHGGCYSQIS-GOSISDBHSA-N 0 0 446.613 4.056 50 0 IIAARN O=C(c1ccc(O)cc1)C1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000084425243 568797830 /nfs/dbraw/zinc/79/78/30/568797830.db2.gz AAPJJCXBGZYAII-UHFFFAOYSA-N 0 0 428.414 4.362 50 0 IIAARN O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000084569447 568798824 /nfs/dbraw/zinc/79/88/24/568798824.db2.gz DIUZUQUIGNNPRM-NRFANRHFSA-N 0 0 438.325 4.266 50 0 IIAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000015669151 568801750 /nfs/dbraw/zinc/80/17/50/568801750.db2.gz OUKLUMZLSAKFBX-UHFFFAOYSA-N 0 0 433.512 4.026 50 0 IIAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)N[C@H](C(=O)OC)c3ccccc3)s2)c1C ZINC000015669175 568801922 /nfs/dbraw/zinc/80/19/22/568801922.db2.gz GONLQAMVSKDOSB-IBGZPJMESA-N 0 0 440.569 4.241 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000015670140 568802185 /nfs/dbraw/zinc/80/21/85/568802185.db2.gz ADQDJLOBTCECFC-QGZVFWFLSA-N 0 0 432.434 4.093 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1cccc(C)c1)CC(=O)N2 ZINC000015670389 568802322 /nfs/dbraw/zinc/80/23/22/568802322.db2.gz WKHMCOBGGZXRSM-GOSISDBHSA-N 0 0 430.899 4.469 50 0 IIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000015670341 568802338 /nfs/dbraw/zinc/80/23/38/568802338.db2.gz VIRQMFODVAIXMX-LJQANCHMSA-N 0 0 440.507 4.294 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000015672804 568803327 /nfs/dbraw/zinc/80/33/27/568803327.db2.gz LXOIUHGKPWZQFV-KOSHJBKYSA-N 0 0 443.613 4.325 50 0 IIAARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCN(c2ccccc2)CC1 ZINC000015721159 568811802 /nfs/dbraw/zinc/81/18/02/568811802.db2.gz MNHAJAYJBAOBLJ-QFIPXVFZSA-N 0 0 431.561 4.184 50 0 IIAARN CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722730 568812307 /nfs/dbraw/zinc/81/23/07/568812307.db2.gz DMOSERTVSFKHTG-QFIPXVFZSA-N 0 0 439.581 4.083 50 0 IIAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)ccc1Br ZINC000015728069 568812822 /nfs/dbraw/zinc/81/28/22/568812822.db2.gz NBQGLESQQRAEFX-CQSZACIVSA-N 0 0 446.374 4.255 50 0 IIAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)on1 ZINC000015731253 568814690 /nfs/dbraw/zinc/81/46/90/568814690.db2.gz RDNLWIHXZANOQJ-UHFFFAOYSA-N 0 0 431.602 4.412 50 0 IIAARN COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000001465356 568820188 /nfs/dbraw/zinc/82/01/88/568820188.db2.gz PSCVBBLZCGIGJG-AWEZNQCLSA-N 0 0 427.595 4.276 50 0 IIAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015776814 568823992 /nfs/dbraw/zinc/82/39/92/568823992.db2.gz MJHDHOCPJMLNPY-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN O=C(c1cnc2ccccc2c1S(=O)(=O)c1ccc(Br)cc1)N1CCCC1 ZINC000085568800 568825366 /nfs/dbraw/zinc/82/53/66/568825366.db2.gz NWLUKPQEZQGRSF-UHFFFAOYSA-N 0 0 445.338 4.066 50 0 IIAARN Cc1ccc(OCC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781071 568825558 /nfs/dbraw/zinc/82/55/58/568825558.db2.gz RCAPWOUZGQVZFE-OAQYLSRUSA-N 0 0 447.553 4.214 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000015781700 568826015 /nfs/dbraw/zinc/82/60/15/568826015.db2.gz DLUKWKBVGVCNDF-FQEVSTJZSA-N 0 0 442.512 4.187 50 0 IIAARN Cc1[nH]c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000085597987 568826028 /nfs/dbraw/zinc/82/60/28/568826028.db2.gz PNFXGMVPGAXPQX-UHFFFAOYSA-N 0 0 429.464 4.077 50 0 IIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cc(Cl)ccc1C ZINC000015781779 568826143 /nfs/dbraw/zinc/82/61/43/568826143.db2.gz HGQRXLCJPNXTMJ-GOSISDBHSA-N 0 0 432.904 4.360 50 0 IIAARN Cc1[nH]c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598275 568827269 /nfs/dbraw/zinc/82/72/69/568827269.db2.gz XFGPHVIYNAUDGD-UHFFFAOYSA-N 0 0 427.929 4.241 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000085650035 568831262 /nfs/dbraw/zinc/83/12/62/568831262.db2.gz KPKJFZVUXONNDM-UHFFFAOYSA-N 0 0 447.988 4.186 50 0 IIAARN Cc1ccc(N2CCN(c3cc(C)nc4nc(Cc5cccc(F)c5)nn43)CC2)c(C)c1 ZINC000015785844 568834175 /nfs/dbraw/zinc/83/41/75/568834175.db2.gz REVAFOFLLALPKM-UHFFFAOYSA-N 0 0 430.531 4.106 50 0 IIAARN CC[C@H](C)N1C(=S)SC(C)(C)[C@@H]1n1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000001508207 568835463 /nfs/dbraw/zinc/83/54/63/568835463.db2.gz JYEWEVRTFZNQLO-ZANVPECISA-N 0 0 448.397 4.308 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C ZINC000085712743 568835788 /nfs/dbraw/zinc/83/57/88/568835788.db2.gz KYGHAXLPOYNNQP-UHFFFAOYSA-N 0 0 440.565 4.242 50 0 IIAARN O=C(OCc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000100350088 568837055 /nfs/dbraw/zinc/83/70/55/568837055.db2.gz AYLWBDPEIRUBNA-RTBURBONSA-N 0 0 440.293 4.262 50 0 IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(O)cc2)cc1 ZINC000085875969 568838188 /nfs/dbraw/zinc/83/81/88/568838188.db2.gz BVNIHWLSCIATLW-QGZVFWFLSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccccc3Cl)cc2)S1 ZINC000015832890 568842177 /nfs/dbraw/zinc/84/21/77/568842177.db2.gz KQWPYRCPOJBXRU-HXUWFJFHSA-N 0 0 447.944 4.189 50 0 IIAARN C[C@@H]1CCC=C2[C@H]3C=C[C@]21[C@H](S(=O)(=O)c1ccccc1)[C@@H]3S(=O)(=O)c1ccccc1 ZINC000257358462 568843847 /nfs/dbraw/zinc/84/38/47/568843847.db2.gz UQOAXBMZAMXLTI-JWXLPAKVSA-N 0 0 440.586 4.214 50 0 IIAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)c12 ZINC000015863294 568849316 /nfs/dbraw/zinc/84/93/16/568849316.db2.gz KUDUENIDVUGKFG-KRWDZBQOSA-N 0 0 432.499 4.211 50 0 IIAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)n2C)cc1 ZINC000015865338 568850139 /nfs/dbraw/zinc/85/01/39/568850139.db2.gz DYCNHDHOEIJTJY-UHFFFAOYSA-N 0 0 442.928 4.190 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccc(C)cc4)CC3)[nH]c2c1 ZINC000015868605 568852021 /nfs/dbraw/zinc/85/20/21/568852021.db2.gz AHHUNUJGODKJNM-SFHVURJKSA-N 0 0 433.552 4.290 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccccc4F)CC3)[nH]c2c1 ZINC000015868682 568852233 /nfs/dbraw/zinc/85/22/33/568852233.db2.gz NGTCRIZZSGADGP-MRXNPFEDSA-N 0 0 437.515 4.120 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)c4ccccc4Cl)c(C)n3n2)cc1 ZINC000015882101 568856559 /nfs/dbraw/zinc/85/65/59/568856559.db2.gz DNDPKXWAHQXALR-UHFFFAOYSA-N 0 0 426.929 4.401 50 0 IIAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000015882576 568857157 /nfs/dbraw/zinc/85/71/57/568857157.db2.gz FOANUSGRZGWOAI-QFIPXVFZSA-N 0 0 436.353 4.374 50 0 IIAARN COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(Cl)cc2)c1 ZINC000015883923 568858276 /nfs/dbraw/zinc/85/82/76/568858276.db2.gz KCKKYTUEMDCZJG-UHFFFAOYSA-N 0 0 444.940 4.450 50 0 IIAARN COc1cc(C2(c3ccc(O)c(OC)c3)C(=O)Nc3c2ccc(Cl)c3C)ccc1O ZINC000015930426 568858941 /nfs/dbraw/zinc/85/89/41/568858941.db2.gz HYWRCIXPULSEPD-UHFFFAOYSA-N 0 0 425.868 4.363 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000012939601 568868721 /nfs/dbraw/zinc/86/87/21/568868721.db2.gz SXKTXAJQDWHCLD-UHFFFAOYSA-N 0 0 436.961 4.049 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN(C)CCOc2ccccc2Cl)C1=O ZINC000016046992 568868785 /nfs/dbraw/zinc/86/87/85/568868785.db2.gz GLWQCPFDJIZDDO-HSZRJFAPSA-N 0 0 447.938 4.385 50 0 IIAARN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000575443111 568868924 /nfs/dbraw/zinc/86/89/24/568868924.db2.gz UPSPIEHURCGJQU-JTHBVZDNSA-N 0 0 435.955 4.015 50 0 IIAARN O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)NC[C@H]1CCCO1 ZINC000016050930 568869395 /nfs/dbraw/zinc/86/93/95/568869395.db2.gz VCWBZRZIQOQGPU-GOSISDBHSA-N 0 0 442.566 4.461 50 0 IIAARN CCOc1ccc(NC(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000012945478 568870939 /nfs/dbraw/zinc/87/09/39/568870939.db2.gz JQIRDAMWOQWOGZ-UHFFFAOYSA-N 0 0 425.407 4.263 50 0 IIAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)c2cccs2)n1 ZINC000575611039 568879074 /nfs/dbraw/zinc/87/90/74/568879074.db2.gz TVYKZFVENOSNRF-AWEZNQCLSA-N 0 0 445.488 4.028 50 0 IIAARN COC(=O)c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2c(C)c1-c1ccccc1 ZINC000000644746 568880155 /nfs/dbraw/zinc/88/01/55/568880155.db2.gz YOUVVOSSOTUNDQ-UHFFFAOYSA-N 0 0 436.859 4.184 50 0 IIAARN CC(C)(C)C1CCC(c2nnnn2-c2cccc(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC000035377304 568880661 /nfs/dbraw/zinc/88/06/61/568880661.db2.gz CQBBONMUZVRBAW-UHFFFAOYSA-N 0 0 437.510 4.445 50 0 IIAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4cncc(Br)c4)CC3)n2)cc1 ZINC000035478115 568882597 /nfs/dbraw/zinc/88/25/97/568882597.db2.gz RFEXTOFIMBWGJU-UHFFFAOYSA-N 0 0 427.302 4.222 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1 ZINC000035478005 568882646 /nfs/dbraw/zinc/88/26/46/568882646.db2.gz SSYDQTZIDUNJNX-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN CC(=O)c1ccc(OCC(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000090593748 568889137 /nfs/dbraw/zinc/88/91/37/568889137.db2.gz RJGDEQPZZQEGQU-UHFFFAOYSA-N 0 0 437.496 4.408 50 0 IIAARN Cc1cc(NC(=O)CSc2nc(CN(C)C)nc3ccccc32)ccc1Br ZINC000012979664 568891971 /nfs/dbraw/zinc/89/19/71/568891971.db2.gz DVQCBBWFGTYZRH-UHFFFAOYSA-N 0 0 445.386 4.493 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000013141762 568892830 /nfs/dbraw/zinc/89/28/30/568892830.db2.gz LRUYHPHTQWHHPG-ZRDIBKRKSA-N 0 0 428.554 4.139 50 0 IIAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000018012917 568894314 /nfs/dbraw/zinc/89/43/14/568894314.db2.gz NLZKDUGCOKGZHN-UHFFFAOYSA-N 0 0 448.441 4.134 50 0 IIAARN O=C(NCc1ccccc1CN1CCOCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000018214199 568894552 /nfs/dbraw/zinc/89/45/52/568894552.db2.gz ZJBQBISIFZROQA-UHFFFAOYSA-N 0 0 427.957 4.226 50 0 IIAARN COC(=O)c1cc(/C=C/C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)oc1C ZINC000032492909 568895906 /nfs/dbraw/zinc/89/59/06/568895906.db2.gz QWWHULZUEKOPPW-SOFGYWHQSA-N 0 0 439.489 4.454 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Br)c(Br)s1 ZINC000012996998 568897051 /nfs/dbraw/zinc/89/70/51/568897051.db2.gz YAQVLVWHWLULQH-UHFFFAOYSA-N 0 0 448.136 4.492 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000012998421 568897696 /nfs/dbraw/zinc/89/76/96/568897696.db2.gz UUZWIRYPIJYTSI-UHFFFAOYSA-N 0 0 447.354 4.170 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)CC2)cc1 ZINC000012998723 568897718 /nfs/dbraw/zinc/89/77/18/568897718.db2.gz JZEVGYDRABRPKE-FQEVSTJZSA-N 0 0 440.609 4.223 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000013003180 568898491 /nfs/dbraw/zinc/89/84/91/568898491.db2.gz PAMATFVHWDZDHT-RZJRRJPXSA-N 0 0 438.449 4.281 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C ZINC000013004760 568898846 /nfs/dbraw/zinc/89/88/46/568898846.db2.gz IUAXMVSWGYLJIA-UHFFFAOYSA-N 0 0 429.879 4.221 50 0 IIAARN CCC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013011238 568900070 /nfs/dbraw/zinc/90/00/70/568900070.db2.gz KHEVNEYDQYBGSF-VFNWGFHPSA-N 0 0 447.988 4.016 50 0 IIAARN NC(=O)C1CCN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000013011648 568901055 /nfs/dbraw/zinc/90/10/55/568901055.db2.gz NKJCLYABVPDSFY-UHFFFAOYSA-N 0 0 449.363 4.245 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000016473999 568908695 /nfs/dbraw/zinc/90/86/95/568908695.db2.gz QYVAFQVOHQUBEY-XMMPIXPASA-N 0 0 446.526 4.227 50 0 IIAARN CC[C@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)OC ZINC000239338718 568911226 /nfs/dbraw/zinc/91/12/26/568911226.db2.gz LBDNUGYUWMXUKV-BMGDILEWSA-N 0 0 431.282 4.150 50 0 IIAARN C[C@H](OC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000240668023 568911859 /nfs/dbraw/zinc/91/18/59/568911859.db2.gz HLYQJNFNJRUQHT-LQWHRVPQSA-N 0 0 432.524 4.175 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245255496 568913806 /nfs/dbraw/zinc/91/38/06/568913806.db2.gz IXPWLDCQXLRQGW-HAEIYXPWSA-N 0 0 440.952 4.268 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245257024 568914096 /nfs/dbraw/zinc/91/40/96/568914096.db2.gz VTIPBHAMWXBXQO-FSTATDAESA-N 0 0 434.923 4.207 50 0 IIAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)c1 ZINC000245312508 568914825 /nfs/dbraw/zinc/91/48/25/568914825.db2.gz VFKCYELEJVTKDB-WXFUMESZSA-N 0 0 428.488 4.363 50 0 IIAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000245327765 568915067 /nfs/dbraw/zinc/91/50/67/568915067.db2.gz QQENCQLIBAWUEO-WXFUMESZSA-N 0 0 444.487 4.232 50 0 IIAARN CC(=O)c1ccccc1NC=C1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000089368468 568921333 /nfs/dbraw/zinc/92/13/33/568921333.db2.gz UBZDBHVEAHEAJG-FYJGNVAPSA-N 0 0 440.455 4.254 50 0 IIAARN Cc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2cccs2)cc1 ZINC000001926427 568923279 /nfs/dbraw/zinc/92/32/79/568923279.db2.gz DWIQXWJOIHCBSF-UHFFFAOYSA-N 0 0 431.516 4.260 50 0 IIAARN CCCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001926413 568923285 /nfs/dbraw/zinc/92/32/85/568923285.db2.gz DSZLPOQHDNEQCE-UHFFFAOYSA-N 0 0 425.915 4.420 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cccc(Br)c2)c(C(=O)OCC)c1C ZINC000001934931 568923512 /nfs/dbraw/zinc/92/35/12/568923512.db2.gz RGIGKDYNNCMWSB-UHFFFAOYSA-N 0 0 440.315 4.425 50 0 IIAARN COc1ccc(/C=C(/NC(=O)c2ccccc2OC)C(=O)Nc2ccccc2OC)cc1 ZINC000224373933 568923845 /nfs/dbraw/zinc/92/38/45/568923845.db2.gz DPLFPDUYVMGZPW-LTGZKZEYSA-N 0 0 432.476 4.122 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000004062536 568926206 /nfs/dbraw/zinc/92/62/06/568926206.db2.gz ZWTWXJZUUOVCIG-XRODADMRSA-N 0 0 425.525 4.221 50 0 IIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)cc1 ZINC000064438499 568928219 /nfs/dbraw/zinc/92/82/19/568928219.db2.gz JJDJSALXJJCEES-UHFFFAOYSA-N 0 0 441.531 4.329 50 0 IIAARN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(Br)cc1Br ZINC000054362965 568940633 /nfs/dbraw/zinc/94/06/33/568940633.db2.gz HOYPAHGNUGQUHX-TVQRCGJNSA-N 0 0 425.186 4.377 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1c(F)cccc1Cl)C2 ZINC000064566044 568932836 /nfs/dbraw/zinc/93/28/36/568932836.db2.gz VUZAYCGKJCKREX-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c(C)c1 ZINC000064566184 568933035 /nfs/dbraw/zinc/93/30/35/568933035.db2.gz QFAMPCSXFRWCGO-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)ccc2o1 ZINC000027012842 568937744 /nfs/dbraw/zinc/93/77/44/568937744.db2.gz JIIVIDHXEAYOGZ-UHFFFAOYSA-N 0 0 443.431 4.468 50 0 IIAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000064605241 568939412 /nfs/dbraw/zinc/93/94/12/568939412.db2.gz BFHRODNIPXFQRK-UHFFFAOYSA-N 0 0 432.524 4.267 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000002063463 568941271 /nfs/dbraw/zinc/94/12/71/568941271.db2.gz ADSXXUCGOPYAOG-HRAATJIYSA-N 0 0 439.556 4.007 50 0 IIAARN COc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1 ZINC000064664220 568943634 /nfs/dbraw/zinc/94/36/34/568943634.db2.gz BFVVXJUJLZIBGT-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2ccccc2OC)CC1 ZINC000064690528 568944199 /nfs/dbraw/zinc/94/41/99/568944199.db2.gz JWLSPDKFVIGIQM-UHFFFAOYSA-N 0 0 434.540 4.149 50 0 IIAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccc(F)cc2)c1 ZINC000036068799 568945531 /nfs/dbraw/zinc/94/55/31/568945531.db2.gz YWMPNLJWJIDVAT-UHFFFAOYSA-N 0 0 441.503 4.172 50 0 IIAARN CC(C)NC(=O)c1cccc(Nc2c(Oc3cccc(C(F)(F)F)c3)cnn(C)c2=O)c1 ZINC000036073293 568945821 /nfs/dbraw/zinc/94/58/21/568945821.db2.gz UORLBIRLWMNSHL-UHFFFAOYSA-N 0 0 446.429 4.473 50 0 IIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073442 568945899 /nfs/dbraw/zinc/94/58/99/568945899.db2.gz RKLFQPMHZRKWSP-QFIPXVFZSA-N 0 0 446.595 4.442 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1coc(CN(Cc2ccccc2)Cc2ccccc2Cl)n1 ZINC000036072270 568946063 /nfs/dbraw/zinc/94/60/63/568946063.db2.gz NOSRSKCDFIMFNJ-HXUWFJFHSA-N 0 0 439.943 4.439 50 0 IIAARN COc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)C(C)C)c(OC)c1 ZINC000036083008 568947031 /nfs/dbraw/zinc/94/70/31/568947031.db2.gz GYCKPCIEMXJDMJ-UHFFFAOYSA-N 0 0 441.503 4.172 50 0 IIAARN O=C(NCCCN1CCCc2ccccc21)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746367 568948800 /nfs/dbraw/zinc/94/88/00/568948800.db2.gz JNJHDHIOYKFXQR-UHFFFAOYSA-N 0 0 445.567 4.300 50 0 IIAARN O=C(c1nc(-c2ccc(N3CCCCCC3)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000064746527 568949792 /nfs/dbraw/zinc/94/97/92/568949792.db2.gz LVPYXBXHWNZZFZ-UHFFFAOYSA-N 0 0 431.540 4.079 50 0 IIAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)NCc1cccs1 ZINC000064746985 568950270 /nfs/dbraw/zinc/95/02/70/568950270.db2.gz OFWDCSBYGAHISO-UHFFFAOYSA-N 0 0 432.530 4.051 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000064757397 568951633 /nfs/dbraw/zinc/95/16/33/568951633.db2.gz ODYPGTACZJFJFP-FQEVSTJZSA-N 0 0 438.547 4.117 50 0 IIAARN CCN1c2ccc(CNC(=O)c3ccc(OC)c(OC)c3)cc2Sc2ncccc2C1=O ZINC000064759620 568952046 /nfs/dbraw/zinc/95/20/46/568952046.db2.gz WCLKLHRPZAKNCJ-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(Cl)cc4)sc3C2)cc1 ZINC000064768997 568953237 /nfs/dbraw/zinc/95/32/37/568953237.db2.gz ZPSREXZDOANGFN-UHFFFAOYSA-N 0 0 447.969 4.104 50 0 IIAARN COCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114647 568955254 /nfs/dbraw/zinc/95/52/54/568955254.db2.gz SOWUVVKXCHMYNH-UHFFFAOYSA-N 0 0 426.538 4.328 50 0 IIAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c(=O)n23)c1 ZINC000064787940 568956249 /nfs/dbraw/zinc/95/62/49/568956249.db2.gz DMUTWEJFWNOKFD-UHFFFAOYSA-N 0 0 429.860 4.476 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787682 568956285 /nfs/dbraw/zinc/95/62/85/568956285.db2.gz OFKSONVCXDEDBR-QHCPKHFHSA-N 0 0 447.510 4.008 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036119775 568956802 /nfs/dbraw/zinc/95/68/02/568956802.db2.gz YVPHVLJIYWEXMN-NRFANRHFSA-N 0 0 428.598 4.456 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000036120213 568957182 /nfs/dbraw/zinc/95/71/82/568957182.db2.gz ALPNNQBTESSFBF-JOCHJYFZSA-N 0 0 428.598 4.456 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)[C@H](C)CC ZINC000036120409 568957471 /nfs/dbraw/zinc/95/74/71/568957471.db2.gz YEMMKCRWRQJHAR-APWZRJJASA-N 0 0 432.561 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC(C)C ZINC000036121829 568958048 /nfs/dbraw/zinc/95/80/48/568958048.db2.gz XWOWWZBXHCAAND-HXUWFJFHSA-N 0 0 428.598 4.456 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)[C@@H](C)CC ZINC000036122659 568958129 /nfs/dbraw/zinc/95/81/29/568958129.db2.gz CWXKIXIYJNWZAP-FXAWDEMLSA-N 0 0 429.586 4.083 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H](C)CC ZINC000036122711 568958330 /nfs/dbraw/zinc/95/83/30/568958330.db2.gz SMIXXTIXGZPBRZ-GHTZIAJQSA-N 0 0 443.613 4.331 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)NC(C)C ZINC000036123992 568958750 /nfs/dbraw/zinc/95/87/50/568958750.db2.gz MANPITMUPDDTRL-FQEVSTJZSA-N 0 0 443.613 4.391 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NC1CCCCC1 ZINC000064792968 568959614 /nfs/dbraw/zinc/95/96/14/568959614.db2.gz FMOSJCTYQWHBOW-QFIPXVFZSA-N 0 0 448.958 4.226 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCC[C@H]2C)cc1 ZINC000064793260 568959641 /nfs/dbraw/zinc/95/96/41/568959641.db2.gz JGNBTTRLTFIFBM-HYBUGGRVSA-N 0 0 442.567 4.141 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1OC ZINC000064797887 568960408 /nfs/dbraw/zinc/96/04/08/568960408.db2.gz QKVZWGGPEUGLEU-OAHLLOKOSA-N 0 0 429.519 4.072 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000006713009 568960924 /nfs/dbraw/zinc/96/09/24/568960924.db2.gz ZBWWMGDSWIIFDK-GOSISDBHSA-N 0 0 425.573 4.473 50 0 IIAARN COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146490 568962734 /nfs/dbraw/zinc/96/27/34/568962734.db2.gz FJISBFYCMXUTRT-RSXGOPAZSA-N 0 0 430.548 4.294 50 0 IIAARN CCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C[C@H]1CCCO1 ZINC000006722379 568963081 /nfs/dbraw/zinc/96/30/81/568963081.db2.gz YJYHYKZUPDXHPN-OAQYLSRUSA-N 0 0 427.520 4.062 50 0 IIAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c1 ZINC000006722672 568963219 /nfs/dbraw/zinc/96/32/19/568963219.db2.gz DNGPDFFIKADSJC-HXUWFJFHSA-N 0 0 432.609 4.226 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 ZINC000064815723 568963490 /nfs/dbraw/zinc/96/34/90/568963490.db2.gz BFMPGZKPBHGBQX-QHCPKHFHSA-N 0 0 438.528 4.229 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1cccc(F)c1 ZINC000064815721 568963501 /nfs/dbraw/zinc/96/35/01/568963501.db2.gz UDBAXFYWOBWEDO-QHCPKHFHSA-N 0 0 438.528 4.229 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3cccs3)ccc2c(=O)n1-c1ccccc1 ZINC000064819551 568966535 /nfs/dbraw/zinc/96/65/35/568966535.db2.gz LPGLHORBHBPLMB-UHFFFAOYSA-N 0 0 432.549 4.223 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccccc3F)C2=O)c1 ZINC000036164640 568967957 /nfs/dbraw/zinc/96/79/57/568967957.db2.gz KOKFJQMRLXZOHU-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1F ZINC000036165876 568968312 /nfs/dbraw/zinc/96/83/12/568968312.db2.gz ANKXPBKCIJGRLM-QHCPKHFHSA-N 0 0 438.480 4.016 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1F ZINC000036165875 568968361 /nfs/dbraw/zinc/96/83/61/568968361.db2.gz ANKXPBKCIJGRLM-HSZRJFAPSA-N 0 0 438.480 4.016 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(c4ccccc4oc3=O)n2C)CC1 ZINC000064838918 568970218 /nfs/dbraw/zinc/97/02/18/568970218.db2.gz GOLZGOOCWISZOS-UHFFFAOYSA-N 0 0 435.911 4.209 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1F)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842581 568970891 /nfs/dbraw/zinc/97/08/91/568970891.db2.gz JLRSYFJGHABOJP-GOSISDBHSA-N 0 0 436.443 4.097 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(F)ccc3C)CC1)c1cccn1-2 ZINC000064848060 568971341 /nfs/dbraw/zinc/97/13/41/568971341.db2.gz SGOCSNNWISVABD-UHFFFAOYSA-N 0 0 441.528 4.039 50 0 biogenic IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC1)c1cccn1-2 ZINC000064848071 568971404 /nfs/dbraw/zinc/97/14/04/568971404.db2.gz XUMXEEONOWRKAX-UHFFFAOYSA-N 0 0 437.565 4.208 50 0 biogenic IIAARN COc1cc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc(OC)c1 ZINC000064844386 568971682 /nfs/dbraw/zinc/97/16/82/568971682.db2.gz FMLRWEYBODKEBX-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc(OC)c1 ZINC000064844411 568971877 /nfs/dbraw/zinc/97/18/77/568971877.db2.gz RZABYECKLHQJAH-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCOC)C(=O)c1cccc(OC)c1 ZINC000036208148 568973128 /nfs/dbraw/zinc/97/31/28/568973128.db2.gz QQZHGRYOICQVJC-UHFFFAOYSA-N 0 0 437.540 4.485 50 0 IIAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 ZINC000064862076 568973852 /nfs/dbraw/zinc/97/38/52/568973852.db2.gz JWYRYYLFMWBVHS-UHFFFAOYSA-N 0 0 433.618 4.483 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000064866847 568974825 /nfs/dbraw/zinc/97/48/25/568974825.db2.gz QNOBACKYJMFFOO-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867050 568974842 /nfs/dbraw/zinc/97/48/42/568974842.db2.gz URGNOYPEKSZTOK-UHFFFAOYSA-N 0 0 440.521 4.272 50 0 IIAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867143 568975020 /nfs/dbraw/zinc/97/50/20/568975020.db2.gz DSXQBAICGLXEON-UHFFFAOYSA-N 0 0 442.537 4.468 50 0 IIAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869645 568976337 /nfs/dbraw/zinc/97/63/37/568976337.db2.gz KPACNPCFKBFQRB-CQSZACIVSA-N 0 0 425.510 4.358 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1OC ZINC000064872964 568978069 /nfs/dbraw/zinc/97/80/69/568978069.db2.gz RPUZTTFAFPJXOQ-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1OC ZINC000064872691 568978083 /nfs/dbraw/zinc/97/80/83/568978083.db2.gz TWQWMAVBMBRTOY-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c1 ZINC000064873080 568978300 /nfs/dbraw/zinc/97/83/00/568978300.db2.gz UDNVXGNUZBEDGM-KRWDZBQOSA-N 0 0 434.515 4.385 50 0 IIAARN CC(=O)Nc1cccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c1 ZINC000064887976 568979145 /nfs/dbraw/zinc/97/91/45/568979145.db2.gz CPMBZESJDFSEAH-UHFFFAOYSA-N 0 0 426.520 4.210 50 0 IIAARN Cc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1C ZINC000064888175 568979374 /nfs/dbraw/zinc/97/93/74/568979374.db2.gz XQAONIXLFZYVGT-UHFFFAOYSA-N 0 0 433.577 4.417 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(C)cc2)cc1 ZINC000036247388 568982333 /nfs/dbraw/zinc/98/23/33/568982333.db2.gz SOQVTNFBMCTVLK-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2C)c1 ZINC000036248813 568983434 /nfs/dbraw/zinc/98/34/34/568983434.db2.gz WBYLBWGPMAWEHY-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000064924763 568986168 /nfs/dbraw/zinc/98/61/68/568986168.db2.gz NKMLLZGPBDSYEO-SFHVURJKSA-N 0 0 432.572 4.079 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)c1 ZINC000064924785 568986349 /nfs/dbraw/zinc/98/63/49/568986349.db2.gz ZDEJWAFFQBZMMZ-UHFFFAOYSA-N 0 0 446.555 4.043 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c(C)c1 ZINC000064927990 568986772 /nfs/dbraw/zinc/98/67/72/568986772.db2.gz AIQDEDZUMXKXPR-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(C)c(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000064927988 568986778 /nfs/dbraw/zinc/98/67/78/568986778.db2.gz BYIQZOPKRKAOCX-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000064928115 568987449 /nfs/dbraw/zinc/98/74/49/568987449.db2.gz UDFWQMKNRHJEMC-UHFFFAOYSA-N 0 0 432.561 4.056 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928381 568987598 /nfs/dbraw/zinc/98/75/98/568987598.db2.gz LMBTZWLOKBUFGU-MRXNPFEDSA-N 0 0 440.906 4.189 50 0 IIAARN CN(CCCNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)c1ccccc1 ZINC000064929150 568987746 /nfs/dbraw/zinc/98/77/46/568987746.db2.gz IVAUVBZRRCLURS-QFIPXVFZSA-N 0 0 429.568 4.003 50 0 IIAARN CCOC(=O)Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1 ZINC000064929358 568988153 /nfs/dbraw/zinc/98/81/53/568988153.db2.gz OKVJBMYJQGJPHR-UHFFFAOYSA-N 0 0 430.508 4.246 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930521 568988839 /nfs/dbraw/zinc/98/88/39/568988839.db2.gz RKGZSQYGAQWQQA-KRWDZBQOSA-N 0 0 441.488 4.307 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930406 568988900 /nfs/dbraw/zinc/98/89/00/568988900.db2.gz GFJHMYOGAFJBLY-GOSISDBHSA-N 0 0 439.516 4.285 50 0 IIAARN COc1ccccc1CN(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)[C@@H](C)c1ccccc1 ZINC000169677799 568989954 /nfs/dbraw/zinc/98/99/54/568989954.db2.gz SRJVSFDZCNMEMW-SIKLNZKXSA-N 0 0 449.551 4.355 50 0 IIAARN O[C@@H](COc1ccccc1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680311 568990840 /nfs/dbraw/zinc/99/08/40/568990840.db2.gz VFTFPNGXZFRIJO-NOZRDPDXSA-N 0 0 434.511 4.261 50 0 IIAARN Cc1c(F)cccc1NC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681182 568991729 /nfs/dbraw/zinc/99/17/29/568991729.db2.gz UWIPWVHTBRRALS-UHFFFAOYSA-N 0 0 426.451 4.397 50 0 IIAARN O=C(CSc1ccc(NCc2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)OCO2 ZINC000064945065 568993492 /nfs/dbraw/zinc/99/34/92/568993492.db2.gz UPVPJJDQGQYLMR-UHFFFAOYSA-N 0 0 428.901 4.202 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](C)O ZINC000036304034 568994262 /nfs/dbraw/zinc/99/42/62/568994262.db2.gz ZGCFJUZAALEBDM-MRXNPFEDSA-N 0 0 431.483 4.080 50 0 IIAARN CCCSCCCNC(=O)[C@H](C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000006807782 568996741 /nfs/dbraw/zinc/99/67/41/568996741.db2.gz LNQODPQMDAIYSP-SFHVURJKSA-N 0 0 426.586 4.015 50 0 IIAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000036310832 568996813 /nfs/dbraw/zinc/99/68/13/568996813.db2.gz BIDKTLMNYPYWOD-JOCHJYFZSA-N 0 0 447.023 4.307 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311264 568997175 /nfs/dbraw/zinc/99/71/75/568997175.db2.gz UIDTZTSOOCXMOF-JOCHJYFZSA-N 0 0 443.950 4.434 50 0 IIAARN COc1cc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)cc(OC)c1OC ZINC000064951904 568997179 /nfs/dbraw/zinc/99/71/79/568997179.db2.gz DBCWASVPWQIELG-AWEZNQCLSA-N 0 0 443.887 4.245 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000064957160 568999484 /nfs/dbraw/zinc/99/94/84/568999484.db2.gz LXBFOQAWINZAER-UHFFFAOYSA-N 0 0 447.560 4.310 50 0 IIAARN O=S(=O)(c1ccccc1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000064960727 569000350 /nfs/dbraw/zinc/00/03/50/569000350.db2.gz OGSORWHSXHIHIF-UHFFFAOYSA-N 0 0 448.342 4.067 50 0 IIAARN COc1cccc2c1O[C@@H](c1cc(OC)c(OC)c(OC)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685724 569000352 /nfs/dbraw/zinc/00/03/52/569000352.db2.gz HQQOPEAVYMIZDY-DFBJGRDBSA-N 0 0 447.491 4.358 50 0 IIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)N(C)Cc3ccccc3)c3ccccc32)cc1 ZINC000064971424 569076282 /nfs/dbraw/zinc/07/62/82/569076282.db2.gz RGPBMWCROFTPDK-UHFFFAOYSA-N 0 0 442.519 4.039 50 0 IIAARN CC[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970840 569076405 /nfs/dbraw/zinc/07/64/05/569076405.db2.gz QIRDAJAFHNYYBU-HXUWFJFHSA-N 0 0 449.942 4.120 50 0 IIAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)c(C)o2)c(OC)c1 ZINC000064977478 569077170 /nfs/dbraw/zinc/07/71/70/569077170.db2.gz DSSIZLKJSCIXPZ-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4cccc(Cl)c4)ccc32)c1 ZINC000064977005 569077394 /nfs/dbraw/zinc/07/73/94/569077394.db2.gz SYOKMJKHGQVRBV-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN 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C[C@@H](CCc1ccccc1)NC(=O)CSc1nccc(N2CCc3ccccc3C2)n1 ZINC000065151489 569111704 /nfs/dbraw/zinc/11/17/04/569111704.db2.gz YSDALKZXXLGCGV-IBGZPJMESA-N 0 0 432.593 4.269 50 0 IIAARN CCn1c2ccnn2c(=O)cc1C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000065168339 569112605 /nfs/dbraw/zinc/11/26/05/569112605.db2.gz WFLKAHUQOYKXDA-UHFFFAOYSA-N 0 0 434.327 4.234 50 0 IIAARN O=S(=O)(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065169139 569112643 /nfs/dbraw/zinc/11/26/43/569112643.db2.gz JEKBOZFKOJFJFL-UHFFFAOYSA-N 0 0 426.350 4.259 50 0 IIAARN CCOc1ccccc1CNC(=O)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165699 569113140 /nfs/dbraw/zinc/11/31/40/569113140.db2.gz CTTWWWNNINLJFK-UHFFFAOYSA-N 0 0 440.594 4.087 50 0 IIAARN O=C(Cc1ccccc1Cl)N1CCC[C@H](COc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000065179274 569113489 /nfs/dbraw/zinc/11/34/89/569113489.db2.gz UJDMNTMIUYSDQC-KRWDZBQOSA-N 0 0 426.944 4.092 50 0 IIAARN COc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000065179807 569113648 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CCOc1ccc(NC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CC5)cn43)cc2)cc1 ZINC000065209849 569116475 /nfs/dbraw/zinc/11/64/75/569116475.db2.gz XPPNMNRCMGUSHT-UHFFFAOYSA-N 0 0 441.491 4.396 50 0 IIAARN COc1ccccc1CNC(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211667 569116685 /nfs/dbraw/zinc/11/66/85/569116685.db2.gz XPHKILBXCVMUCA-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccc(C)c(C)c4)cs3)CC2)c1 ZINC000065211602 569116686 /nfs/dbraw/zinc/11/66/86/569116686.db2.gz PRWJLKKLGDWJOI-UHFFFAOYSA-N 0 0 436.581 4.025 50 0 IIAARN O=C(NCc1cccc(F)c1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211661 569116698 /nfs/dbraw/zinc/11/66/98/569116698.db2.gz RQGFJTLQBNYDPC-UHFFFAOYSA-N 0 0 430.936 4.192 50 0 IIAARN Cc1ccc(C)c(N2CCN(Cc3nc(-c4ccc(N5CCCCC5)nc4)no3)CC2)c1 ZINC000065215975 569117082 /nfs/dbraw/zinc/11/70/82/569117082.db2.gz YCEAHZNUFVNDOC-UHFFFAOYSA-N 0 0 432.572 4.061 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000036548242 569117416 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ZINC000065240806 569120896 /nfs/dbraw/zinc/12/08/96/569120896.db2.gz LFMPMVUYQCUESL-UHFFFAOYSA-N 0 0 442.972 4.446 50 0 IIAARN CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)ncn1 ZINC000065244894 569121516 /nfs/dbraw/zinc/12/15/16/569121516.db2.gz IKSIJUXHUJJQQU-RBUKOAKNSA-N 0 0 425.577 4.181 50 0 IIAARN Cc1c(C(=O)NCc2cccc(Cl)c2)cnn1-c1cc(-c2nc(C(C)C)no2)ccn1 ZINC000065251359 569122256 /nfs/dbraw/zinc/12/22/56/569122256.db2.gz DHZBBELHABEDFW-UHFFFAOYSA-N 0 0 436.903 4.333 50 0 IIAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(N2CCCCC2)c2nonc21 ZINC000036616257 569122773 /nfs/dbraw/zinc/12/27/73/569122773.db2.gz ZQXSZFNAZLCDEH-UHFFFAOYSA-N 0 0 445.527 4.498 50 0 IIAARN CCn1cc(Cn2cc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)C)cn2)c(C)n1 ZINC000036612500 569123772 /nfs/dbraw/zinc/12/37/72/569123772.db2.gz KXMMPHYGFGQGEC-UHFFFAOYSA-N 0 0 446.559 4.220 50 0 IIAARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036613438 569123860 /nfs/dbraw/zinc/12/38/60/569123860.db2.gz IXAGRGJPCMPGNK-OAHLLOKOSA-N 0 0 428.540 4.198 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1OC ZINC000036613606 569123962 /nfs/dbraw/zinc/12/39/62/569123962.db2.gz JAMLEVSUIQSKLJ-UHFFFAOYSA-N 0 0 435.455 4.327 50 0 IIAARN CC[C@@H](C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1nc(C)c(Cl)c1C ZINC000036614375 569124074 /nfs/dbraw/zinc/12/40/74/569124074.db2.gz MXRVGPNZBGIXKP-HNNXBMFYSA-N 0 0 431.890 4.015 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1 ZINC000065259985 569125000 /nfs/dbraw/zinc/12/50/00/569125000.db2.gz IBUODMYREZDAMN-SANMLTNESA-N 0 0 448.567 4.367 50 0 IIAARN CC(C)(C)N=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000065260142 569125055 /nfs/dbraw/zinc/12/50/55/569125055.db2.gz HAESGJFCCPZSGE-RUZDIDTESA-N 0 0 449.555 4.368 50 0 IIAARN CSCC[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1nnc2ccccn21 ZINC000524734565 569127792 /nfs/dbraw/zinc/12/77/92/569127792.db2.gz RIVALMJVYMYSOE-AWEZNQCLSA-N 0 0 425.436 4.244 50 0 IIAARN COc1cccc(-c2cc3n(n2)CCCN(C(=O)c2ccc(C)c(N4CCCC4=O)c2)C3)c1 ZINC000065270206 569127964 /nfs/dbraw/zinc/12/79/64/569127964.db2.gz UHKZQFWLXOZKLF-UHFFFAOYSA-N 0 0 444.535 4.040 50 0 IIAARN COc1ccc(C)cc1NC(=O)Nc1nc2c(s1)CN(Cc1ccc(F)cc1)C2=O ZINC000065273984 569128291 /nfs/dbraw/zinc/12/82/91/569128291.db2.gz UQPCVVUYKGSFSM-UHFFFAOYSA-N 0 0 426.473 4.399 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2)cc1 ZINC000065272420 569128937 /nfs/dbraw/zinc/12/89/37/569128937.db2.gz YXHLGPZRKNPGJV-UHFFFAOYSA-N 0 0 434.471 4.314 50 0 IIAARN CC1CCN(c2cncnc2-n2cc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000065282982 569130067 /nfs/dbraw/zinc/13/00/67/569130067.db2.gz YAIQXCFMEXWFFP-UHFFFAOYSA-N 0 0 430.434 4.170 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc12 ZINC000065296963 569131603 /nfs/dbraw/zinc/13/16/03/569131603.db2.gz YDIWIAXHOPCERQ-UHFFFAOYSA-N 0 0 427.549 4.158 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)c4cccc(C)c4)CC3)sc12 ZINC000065297073 569131707 /nfs/dbraw/zinc/13/17/07/569131707.db2.gz RXFBYFROMTZYCK-UHFFFAOYSA-N 0 0 431.565 4.370 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4ccccc4)CC3)sc12 ZINC000065300470 569132258 /nfs/dbraw/zinc/13/22/58/569132258.db2.gz BUCSDEPGBIICNE-UHFFFAOYSA-N 0 0 431.565 4.451 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NCc4cccnc4)C3)sc12 ZINC000065305664 569133265 /nfs/dbraw/zinc/13/32/65/569133265.db2.gz URDYSNIFQYQXMY-IBGZPJMESA-N 0 0 446.580 4.027 50 0 IIAARN CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000065315406 569134024 /nfs/dbraw/zinc/13/40/24/569134024.db2.gz UUNADNOGVFQZND-SFHVURJKSA-N 0 0 443.592 4.301 50 0 IIAARN CSc1cccc2sc(N3CCN(C(=O)c4cnn(-c5ccccc5)c4C)CC3)nc21 ZINC000036704922 569134231 /nfs/dbraw/zinc/13/42/31/569134231.db2.gz IWGVGYJPTTZFHB-UHFFFAOYSA-N 0 0 449.605 4.475 50 0 IIAARN CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5cccc(F)c5)CC4)cc23)CC1 ZINC000065315732 569134259 /nfs/dbraw/zinc/13/42/59/569134259.db2.gz AJZNSJOSILNEHL-UHFFFAOYSA-N 0 0 448.542 4.365 50 0 IIAARN Cc1cc(C(=O)N2CCN(c3nc4ccc(OC(F)(F)F)cc4s3)CC2)c(C)o1 ZINC000036708144 569134930 /nfs/dbraw/zinc/13/49/30/569134930.db2.gz XQZKKIDASLBEPS-UHFFFAOYSA-N 0 0 425.432 4.367 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000065320269 569136030 /nfs/dbraw/zinc/13/60/30/569136030.db2.gz LLHAXYUMEILJBV-IRLDBZIGSA-N 0 0 444.535 4.378 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C(C)C)cc1 ZINC000065319984 569136036 /nfs/dbraw/zinc/13/60/36/569136036.db2.gz WCHVKSJRSGIARM-UHFFFAOYSA-N 0 0 443.598 4.073 50 0 IIAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000065322231 569136537 /nfs/dbraw/zinc/13/65/37/569136537.db2.gz UOPJCDXHMCJENN-UHFFFAOYSA-N 0 0 436.556 4.458 50 0 IIAARN COc1ccc(CNC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000036713747 569136560 /nfs/dbraw/zinc/13/65/60/569136560.db2.gz RESUGNKXISVDFU-UHFFFAOYSA-N 0 0 433.895 4.037 50 0 IIAARN COCCCN(C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)[C@H](C)c1cccs1 ZINC000065329766 569136995 /nfs/dbraw/zinc/13/69/95/569136995.db2.gz ZHTQEMHFVGONFY-OAHLLOKOSA-N 0 0 431.558 4.255 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000036874497 569138502 /nfs/dbraw/zinc/13/85/02/569138502.db2.gz IHNCSQKMBNPFAJ-HXUWFJFHSA-N 0 0 443.341 4.380 50 0 IIAARN C[C@@H](NC(=O)[C@@H](C)N1C(=S)N=NC1c1cccs1)c1cccc(Br)c1 ZINC000065565572 569139416 /nfs/dbraw/zinc/13/94/16/569139416.db2.gz XKHKBOINHGDYIA-GHMZBOCLSA-N 0 0 437.388 4.496 50 0 IIAARN CC(=O)Nc1cccc2c1CCN(c1cnn(-c3ccc(C)c(Cl)c3)c(=O)c1Cl)C2 ZINC000065594222 569140097 /nfs/dbraw/zinc/14/00/97/569140097.db2.gz FEEZETFNMUWXCW-UHFFFAOYSA-N 0 0 443.334 4.369 50 0 IIAARN COc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)ccc1OC(C)C ZINC000065609861 569140174 /nfs/dbraw/zinc/14/01/74/569140174.db2.gz LPGDSOYVNFNRBC-LJQANCHMSA-N 0 0 428.554 4.253 50 0 IIAARN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000170594145 569141389 /nfs/dbraw/zinc/14/13/89/569141389.db2.gz 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COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)CC(C)C)c2)cc1 ZINC000037399833 569194673 /nfs/dbraw/zinc/19/46/73/569194673.db2.gz NEKKTGOJTNVXAU-UHFFFAOYSA-N 0 0 433.570 4.494 50 0 IIAARN COc1ccccc1NC(=O)N(Cc1cc(Cl)ccc1OS(C)(=O)=O)C(C)C ZINC000037422929 569195557 /nfs/dbraw/zinc/19/55/57/569195557.db2.gz FBPHVOBYIXJSKM-UHFFFAOYSA-N 0 0 426.922 4.130 50 0 IIAARN O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(F)cc2)n1)N1CCCC1 ZINC000037425901 569195717 /nfs/dbraw/zinc/19/57/17/569195717.db2.gz RUXRLKPARIYQRA-UHFFFAOYSA-N 0 0 442.516 4.274 50 0 IIAARN Cc1cn(Cc2ccc(C(=O)NCc3ccco3)cc2)/c(=N/C(=O)c2ccc(F)cc2)s1 ZINC000037427635 569195890 /nfs/dbraw/zinc/19/58/90/569195890.db2.gz AAYALFAANVEJIS-PNHLSOANSA-N 0 0 449.507 4.310 50 0 IIAARN CCNC(=O)c1ccc(Cn2c(C)cs/c2=N\C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000037427792 569195938 /nfs/dbraw/zinc/19/59/38/569195938.db2.gz PRZWGFFQBOQVAE-MEFGMAGPSA-N 0 0 447.482 4.416 50 0 IIAARN CC(C)[C@@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524467 569198575 /nfs/dbraw/zinc/19/85/75/569198575.db2.gz IDYDMHTZDPGVJN-MRXNPFEDSA-N 0 0 429.511 4.138 50 0 IIAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037524849 569198696 /nfs/dbraw/zinc/19/86/96/569198696.db2.gz UZSWAGRLHNDVJY-UHFFFAOYSA-N 0 0 445.485 4.340 50 0 IIAARN O=C(NCCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000037523724 569198727 /nfs/dbraw/zinc/19/87/27/569198727.db2.gz QRSDOPNUFNBOJX-UHFFFAOYSA-N 0 0 427.548 4.058 50 0 IIAARN O=C(NCc1cccnc1)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037525121 569198980 /nfs/dbraw/zinc/19/89/80/569198980.db2.gz KWVYUDSUMPIZIV-UHFFFAOYSA-N 0 0 448.954 4.064 50 0 IIAARN COc1cccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3sc(Br)cc32)c1 ZINC000037542738 569199449 /nfs/dbraw/zinc/19/94/49/569199449.db2.gz FARGPGZCUYBWDI-HNNXBMFYSA-N 0 0 449.370 4.431 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000037542452 569199460 /nfs/dbraw/zinc/19/94/60/569199460.db2.gz IUNUKLICSIEPRD-UHFFFAOYSA-N 0 0 440.565 4.483 50 0 IIAARN COc1ccccc1Cn1c(C(=O)NC[C@H]2CCCO2)cc2scc(Br)c21 ZINC000037543673 569199599 /nfs/dbraw/zinc/19/95/99/569199599.db2.gz ZMOCEARLMGWFCP-CQSZACIVSA-N 0 0 449.370 4.431 50 0 IIAARN COCCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(F)cc1F ZINC000037547133 569199974 /nfs/dbraw/zinc/19/99/74/569199974.db2.gz FWJRATUDVASZAB-UHFFFAOYSA-N 0 0 429.467 4.255 50 0 IIAARN Cc1cccc([C@H]2CC(=O)N(Cc3ccc(C(=O)NCc4ccccc4)cc3)C(=O)N2)c1 ZINC000037553965 569200309 /nfs/dbraw/zinc/20/03/09/569200309.db2.gz LULDAQYXZUJXBH-HSZRJFAPSA-N 0 0 427.504 4.108 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000037558344 569200788 /nfs/dbraw/zinc/20/07/88/569200788.db2.gz ABBVDJIGIYNOQK-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN Cc1cccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccccc2Cl)c1 ZINC000037558419 569200811 /nfs/dbraw/zinc/20/08/11/569200811.db2.gz OEFQRZHEMOPYCD-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN Cc1ccc(-n2c3ncn(Cc4c(F)cccc4F)c3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000037559282 569200819 /nfs/dbraw/zinc/20/08/19/569200819.db2.gz KRYIKAAMWIYMFR-UHFFFAOYSA-N 0 0 438.478 4.030 50 0 IIAARN COc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000037579350 569201684 /nfs/dbraw/zinc/20/16/84/569201684.db2.gz KNLKGLBUJHXFCM-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN CC(C)CN(C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1ccc(F)cc1 ZINC000037607784 569202817 /nfs/dbraw/zinc/20/28/17/569202817.db2.gz VUSRYZVFVQBOQS-LJQANCHMSA-N 0 0 432.923 4.119 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C ZINC000007799794 569203663 /nfs/dbraw/zinc/20/36/63/569203663.db2.gz DQQNUFYADPFCGG-HNNXBMFYSA-N 0 0 425.558 4.276 50 0 IIAARN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccnc1-n1cccn1 ZINC000195535984 569204245 /nfs/dbraw/zinc/20/42/45/569204245.db2.gz UFBGKQGOEUGMFM-UHFFFAOYSA-N 0 0 433.903 4.158 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccccc4)[C@H]3C2=O)cc1 ZINC000199030989 569209573 /nfs/dbraw/zinc/20/95/73/569209573.db2.gz BMQAUPASMPCXPU-QORCZRPOSA-N 0 0 449.510 4.024 50 0 IIAARN O=c1c(=Cc2ccc(O)cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252666044 569209602 /nfs/dbraw/zinc/20/96/02/569209602.db2.gz AIJLNCVELMDHTM-HSZRJFAPSA-N 0 0 442.565 4.086 50 0 IIAARN CC(C)[C@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000002231039 569210403 /nfs/dbraw/zinc/21/04/03/569210403.db2.gz ZXXXLBCRFYHALH-GOSISDBHSA-N 0 0 431.521 4.211 50 0 IIAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2cccc(OC)c2)cc1 ZINC000002244999 569213879 /nfs/dbraw/zinc/21/38/79/569213879.db2.gz RIJYSYMGUVCLSS-UHFFFAOYSA-N 0 0 446.503 4.176 50 0 IIAARN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002245587 569214329 /nfs/dbraw/zinc/21/43/29/569214329.db2.gz JPRKVGHOCDMHMU-UHFFFAOYSA-N 0 0 432.480 4.187 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2N)cc1 ZINC000002265825 569216219 /nfs/dbraw/zinc/21/62/19/569216219.db2.gz RDRZNOHSIQTGOB-UHFFFAOYSA-N 0 0 441.866 4.370 50 0 IIAARN O=C(c1ccsc1I)c1ccsc1I ZINC000135813478 569258770 /nfs/dbraw/zinc/25/87/70/569258770.db2.gz XLSNWYDMCRRAIA-UHFFFAOYSA-N 0 0 446.072 4.250 50 0 IIAARN COc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)c(OC)c1 ZINC000027528023 569263495 /nfs/dbraw/zinc/26/34/95/569263495.db2.gz AVQYTCGAMYSCRB-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](CO)Cc3ccccc3)c(=O)oc1c2C ZINC000253414190 569266169 /nfs/dbraw/zinc/26/61/69/569266169.db2.gz WSILKNICINRCTR-IBGZPJMESA-N 0 0 433.504 4.117 50 0 biogenic IIAARN COc1ccc(Cn2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002304681 569271727 /nfs/dbraw/zinc/27/17/27/569271727.db2.gz SQOJMBMYGSRZDQ-UHFFFAOYSA-N 0 0 429.524 4.286 50 0 IIAARN Cc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000002316662 569272454 /nfs/dbraw/zinc/27/24/54/569272454.db2.gz AQXOVEVIVLHDLL-OUKQBFOZSA-N 0 0 427.595 4.341 50 0 IIAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 ZINC000002343792 569275320 /nfs/dbraw/zinc/27/53/20/569275320.db2.gz QFDMJMQYZOLPAR-BEFAXECRSA-N 0 0 440.293 4.280 50 0 IIAARN COc1ccc(N2Oc3c(O)n(-c4ccc(C)c(C)c4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000002351168 569282702 /nfs/dbraw/zinc/28/27/02/569282702.db2.gz AUDKUVXUPSRQDI-VXNXHJTFSA-N 0 0 428.488 4.363 50 0 IIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499033 569283321 /nfs/dbraw/zinc/28/33/21/569283321.db2.gz BXDDOPIRYWHDEN-NPJXOICZSA-N 0 0 432.557 4.032 50 0 biogenic IIAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000002361932 569287639 /nfs/dbraw/zinc/28/76/39/569287639.db2.gz KHQPAVWHVJXDAW-INIZCTEOSA-N 0 0 427.917 4.178 50 0 IIAARN COCCn1c(C)cc(C)c(C(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c1=O ZINC000252490545 569287977 /nfs/dbraw/zinc/28/79/77/569287977.db2.gz KWUJAMUIXBBWEG-SFHVURJKSA-N 0 0 427.932 4.054 50 0 IIAARN O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000252498008 569288085 /nfs/dbraw/zinc/28/80/85/569288085.db2.gz QTTHKOMTQWWRDZ-RTWAWAEBSA-N 0 0 449.482 4.167 50 0 IIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1OCC ZINC000002369298 569288776 /nfs/dbraw/zinc/28/87/76/569288776.db2.gz BGTXMMIMJGVXLS-RGEXLXHISA-N 0 0 441.578 4.395 50 0 IIAARN COC(=O)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 ZINC000002383724 569293961 /nfs/dbraw/zinc/29/39/61/569293961.db2.gz DEABZPYADIZENG-UHFFFAOYSA-N 0 0 442.591 4.385 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009466162 569296607 /nfs/dbraw/zinc/29/66/07/569296607.db2.gz XULOERNMGARDGD-NTEUORMPSA-N 0 0 444.940 4.153 50 0 IIAARN Cc1ccc(Cn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002393425 569298102 /nfs/dbraw/zinc/29/81/02/569298102.db2.gz KCMUAXKYIKGRON-UHFFFAOYSA-N 0 0 428.517 4.356 50 0 IIAARN COc1cc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)ccc1OCCC(C)C ZINC000002394520 569298205 /nfs/dbraw/zinc/29/82/05/569298205.db2.gz CILOUGVTQKEYRQ-STZFKDTASA-N 0 0 435.549 4.108 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000002399607 569298926 /nfs/dbraw/zinc/29/89/26/569298926.db2.gz VOGGAWUEKJREOK-OXQOHEQNSA-N 0 0 425.868 4.179 50 0 IIAARN CCCCCOC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002404360 569299985 /nfs/dbraw/zinc/29/99/85/569299985.db2.gz CCAHZHPCBABCAR-UHFFFAOYSA-N 0 0 432.480 4.291 50 0 IIAARN O=C(/C=C/c1ccccc1)NCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011170428 569301841 /nfs/dbraw/zinc/30/18/41/569301841.db2.gz JJVXGCLAWBKDLY-AWNIVKPZSA-N 0 0 439.309 4.155 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002421873 569302122 /nfs/dbraw/zinc/30/21/22/569302122.db2.gz XCKZWMLODVECAB-LJQANCHMSA-N 0 0 434.473 4.325 50 0 IIAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002428262 569302706 /nfs/dbraw/zinc/30/27/06/569302706.db2.gz RQXHYRNZUOSWJP-DLBZAZTESA-N 0 0 432.311 4.316 50 0 IIAARN CC[C@H](C)C(=O)Nc1c2cc(NC3CCCC3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014535237 569304795 /nfs/dbraw/zinc/30/47/95/569304795.db2.gz MDASRBORJGRCOG-MAUKXSAKSA-N 0 0 442.560 4.341 50 0 IIAARN C[C@H](NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)c1ccccc1Cl ZINC000012994335 569306047 /nfs/dbraw/zinc/30/60/47/569306047.db2.gz WDOWGKNKMFVNQO-INIZCTEOSA-N 0 0 425.916 4.177 50 0 IIAARN C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)c1ccccc1Cl ZINC000012994333 569306101 /nfs/dbraw/zinc/30/61/01/569306101.db2.gz WDOWGKNKMFVNQO-MRXNPFEDSA-N 0 0 425.916 4.177 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nn2)n1 ZINC000013010064 569306747 /nfs/dbraw/zinc/30/67/47/569306747.db2.gz XOGOCHVVQSZMAW-UHFFFAOYSA-N 0 0 440.916 4.169 50 0 IIAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)NC2CCCCC2)cc1 ZINC000013039552 569308035 /nfs/dbraw/zinc/30/80/35/569308035.db2.gz JRHIOEZNXOGTTE-UHFFFAOYSA-N 0 0 440.565 4.332 50 0 IIAARN Cc1cccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013073431 569309154 /nfs/dbraw/zinc/30/91/54/569309154.db2.gz QSEODZFKKBUWAR-UHFFFAOYSA-N 0 0 430.570 4.357 50 0 IIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013097625 569309785 /nfs/dbraw/zinc/30/97/85/569309785.db2.gz ZGZXAKSLYYGZGB-UHFFFAOYSA-N 0 0 436.961 4.231 50 0 IIAARN Cc1nc2ccc(NC(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1 ZINC000013100484 569310027 /nfs/dbraw/zinc/31/00/27/569310027.db2.gz WAMBILXUPSTDDU-UHFFFAOYSA-N 0 0 431.583 4.146 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(=O)[nH]c4ccccc43)ccc21 ZINC000013110240 569310330 /nfs/dbraw/zinc/31/03/30/569310330.db2.gz QKNYKYRITXTFPX-UHFFFAOYSA-N 0 0 439.471 4.451 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC000013110247 569310392 /nfs/dbraw/zinc/31/03/92/569310392.db2.gz YOTFKAMXGGRRRT-NWDGAFQWSA-N 0 0 442.295 4.307 50 0 IIAARN CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000013113032 569310541 /nfs/dbraw/zinc/31/05/41/569310541.db2.gz GCRVFUCUTUOSPD-HKUYNNGSSA-N 0 0 437.565 4.109 50 0 IIAARN Cc1cc(C)c(NC(=O)COC(=O)COc2ccc(Br)cc2)c(Cl)c1 ZINC000013147836 569312074 /nfs/dbraw/zinc/31/20/74/569312074.db2.gz UCULDBYJQIXJFP-UHFFFAOYSA-N 0 0 426.694 4.280 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1 ZINC000013148389 569312077 /nfs/dbraw/zinc/31/20/77/569312077.db2.gz KYOVDAWJGZYQKC-UHFFFAOYSA-N 0 0 448.862 4.245 50 0 IIAARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)c1 ZINC000013149525 569312251 /nfs/dbraw/zinc/31/22/51/569312251.db2.gz ARBSFPCYKCPYKR-UHFFFAOYSA-N 0 0 447.487 4.347 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359751 569313847 /nfs/dbraw/zinc/31/38/47/569313847.db2.gz FGLZARCNPUWIHN-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361040 569314033 /nfs/dbraw/zinc/31/40/33/569314033.db2.gz JLQIQBJWMOTRFK-UHFFFAOYSA-N 0 0 447.516 4.485 50 0 IIAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2=O)s1 ZINC000013368110 569314501 /nfs/dbraw/zinc/31/45/01/569314501.db2.gz RQKAQQRVWQIEHD-UHFFFAOYSA-N 0 0 440.912 4.198 50 0 IIAARN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000078610374 569316530 /nfs/dbraw/zinc/31/65/30/569316530.db2.gz MTJUKKLBKFOPDM-GOSISDBHSA-N 0 0 437.254 4.295 50 0 IIAARN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000328590036 569316815 /nfs/dbraw/zinc/31/68/15/569316815.db2.gz YFRCETVADGNWNB-UHFFFAOYSA-N 0 0 434.924 4.406 50 0 IIAARN Cc1nnc(COc2cc(C(F)(F)F)nc3ccc(I)cc32)o1 ZINC000328593106 569317342 /nfs/dbraw/zinc/31/73/42/569317342.db2.gz ANUIMZWNEVWDRS-UHFFFAOYSA-N 0 0 435.143 4.129 50 0 IIAARN CCOc1c(CNc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c(C)nn1CC(C)C ZINC000328594883 569317748 /nfs/dbraw/zinc/31/77/48/569317748.db2.gz FNHBYJRBZIZLQC-UHFFFAOYSA-N 0 0 440.585 4.074 50 0 IIAARN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(Br)ccc1Cl ZINC000078879061 569319984 /nfs/dbraw/zinc/31/99/84/569319984.db2.gz CRWAMSFHMNRWBT-UHFFFAOYSA-N 0 0 444.514 4.066 50 0 IIAARN COc1cc(C(=O)NC[C@](C)(O)c2cc(C)oc2C)cc(OC)c1OCc1ccccc1 ZINC000078939876 569320353 /nfs/dbraw/zinc/32/03/53/569320353.db2.gz JBONEFSQJNEZDK-VWLOTQADSA-N 0 0 439.508 4.130 50 0 IIAARN C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2nccn2CCc2ccccc2)C[C@@H](C)O1 ZINC000079051655 569323316 /nfs/dbraw/zinc/32/33/16/569323316.db2.gz QQLKWDINHJNPFF-NHCUHLMSSA-N 0 0 447.583 4.057 50 0 IIAARN CCC[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCN1Cc1nnc(-c2ccccc2)o1 ZINC000079058988 569323754 /nfs/dbraw/zinc/32/37/54/569323754.db2.gz DOWITSSNOUINAN-NRFANRHFSA-N 0 0 444.539 4.273 50 0 IIAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000079064660 569324311 /nfs/dbraw/zinc/32/43/11/569324311.db2.gz PTTYFBYZXSPRPY-MRXNPFEDSA-N 0 0 430.302 4.007 50 0 IIAARN COCCOCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000079093974 569325283 /nfs/dbraw/zinc/32/52/83/569325283.db2.gz DXQGCJSXQQADSP-LEWJYISDSA-N 0 0 432.358 4.244 50 0 IIAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(F)cc4)c32)c(OC)c1OC ZINC000079491758 569331214 /nfs/dbraw/zinc/33/12/14/569331214.db2.gz GTMGDDBSGANBRB-FQEVSTJZSA-N 0 0 429.473 4.461 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000002463522 569331803 /nfs/dbraw/zinc/33/18/03/569331803.db2.gz ULMABHGVXWZYMF-MJGOQNOKSA-N 0 0 430.570 4.212 50 0 IIAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C2=O)cc1C ZINC000020069619 569333270 /nfs/dbraw/zinc/33/32/70/569333270.db2.gz PNBIJYWJYQMZOJ-HXUWFJFHSA-N 0 0 425.451 4.299 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCOCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000020112545 569334646 /nfs/dbraw/zinc/33/46/46/569334646.db2.gz YABJRYQKQLPLQE-KHTDVAIGSA-N 0 0 429.601 4.152 50 0 biogenic IIAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(C(F)(F)F)cc1 ZINC000020137285 569335803 /nfs/dbraw/zinc/33/58/03/569335803.db2.gz VRFHHTBSDJPEIX-UHFFFAOYSA-N 0 0 442.278 4.332 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1cccc2c1CCCC2 ZINC000020137258 569335856 /nfs/dbraw/zinc/33/58/56/569335856.db2.gz VDLCJXKLPGMQDS-UHFFFAOYSA-N 0 0 428.373 4.192 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826772 569353863 /nfs/dbraw/zinc/35/38/63/569353863.db2.gz PDLJZLZETXZQNA-UHFFFAOYSA-N 0 0 448.951 4.371 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240667 569357695 /nfs/dbraw/zinc/35/76/95/569357695.db2.gz YXTFIXNJCSRMIB-UHFFFAOYSA-N 0 0 437.439 4.245 50 0 IIAARN COc1ccc(-c2nc(CSCC(=O)NCc3ccc(F)cc3)c(C)o2)cc1OC ZINC000020241092 569357870 /nfs/dbraw/zinc/35/78/70/569357870.db2.gz ANGLSSBVDNESFU-UHFFFAOYSA-N 0 0 430.501 4.356 50 0 IIAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)N1CCCC1 ZINC000020242467 569358210 /nfs/dbraw/zinc/35/82/10/569358210.db2.gz QUMTWSAATSWCKB-JGCGQSQUSA-N 0 0 448.519 4.389 50 0 IIAARN CCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1 ZINC000020324401 569360384 /nfs/dbraw/zinc/36/03/84/569360384.db2.gz UTBFSISVRSTSQL-UHFFFAOYSA-N 0 0 438.524 4.439 50 0 IIAARN C[C@@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000095350345 569361827 /nfs/dbraw/zinc/36/18/27/569361827.db2.gz JBMUVXNFUQWZNR-MLGOLLRUSA-N 0 0 443.297 4.116 50 0 IIAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000020377713 569362266 /nfs/dbraw/zinc/36/22/66/569362266.db2.gz HRZSXSUEACLSQD-QFIPXVFZSA-N 0 0 445.544 4.072 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417837 569365062 /nfs/dbraw/zinc/36/50/62/569365062.db2.gz CUWPIFJFQXVGFY-MRXNPFEDSA-N 0 0 448.954 4.394 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1 ZINC000020436271 569365387 /nfs/dbraw/zinc/36/53/87/569365387.db2.gz DVDHTVMNXCIQGW-KPLVRAHFSA-N 0 0 433.957 4.192 50 0 IIAARN C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000095431405 569366241 /nfs/dbraw/zinc/36/62/41/569366241.db2.gz KQBRDNNCJVAUDQ-FZKQIMNGSA-N 0 0 437.849 4.266 50 0 IIAARN Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000095446551 569367354 /nfs/dbraw/zinc/36/73/54/569367354.db2.gz IKIFPDSRXLWSEI-UHFFFAOYSA-N 0 0 425.573 4.396 50 0 IIAARN CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000095446473 569367374 /nfs/dbraw/zinc/36/73/74/569367374.db2.gz UXQRWLKMAMEFAV-FQEVSTJZSA-N 0 0 425.529 4.356 50 0 IIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000095454873 569368365 /nfs/dbraw/zinc/36/83/65/569368365.db2.gz YAGUEUVMJOVLSM-GOSISDBHSA-N 0 0 437.466 4.251 50 0 IIAARN O=C(COC(=O)c1ccc(-n2cnc3ccccc32)nc1)Nc1ccccc1C(F)(F)F ZINC000095454615 569368373 /nfs/dbraw/zinc/36/83/73/569368373.db2.gz BGKRYTSDMFHHNM-UHFFFAOYSA-N 0 0 440.381 4.235 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)NCC1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000095456316 569368875 /nfs/dbraw/zinc/36/88/75/569368875.db2.gz ZRSUDCTXQVLLMA-UHFFFAOYSA-N 0 0 442.563 4.226 50 0 IIAARN C[C@@H]1C[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1 ZINC000095458065 569369080 /nfs/dbraw/zinc/36/90/80/569369080.db2.gz PMNKIGXCZSYXRW-MSOLQXFVSA-N 0 0 430.508 4.285 50 0 IIAARN COc1cc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)ccc1NC(C)=O ZINC000095460872 569369774 /nfs/dbraw/zinc/36/97/74/569369774.db2.gz WJFSSZGHDWVACD-UHFFFAOYSA-N 0 0 441.315 4.335 50 0 IIAARN CC(C)Cn1nc(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc2c1=O ZINC000095478624 569373516 /nfs/dbraw/zinc/37/35/16/569373516.db2.gz KESQPGRJHFLFKC-UHFFFAOYSA-N 0 0 436.943 4.089 50 0 IIAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095478971 569373730 /nfs/dbraw/zinc/37/37/30/569373730.db2.gz GKCICBIRNOEENO-JOCHJYFZSA-N 0 0 435.597 4.424 50 0 IIAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccc(C)c4)n3)no2)cc1 ZINC000095481950 569374231 /nfs/dbraw/zinc/37/42/31/569374231.db2.gz DIMQNOXOZDZGDL-UHFFFAOYSA-N 0 0 434.525 4.335 50 0 IIAARN CCN1C(=O)C[C@H](n2nc(-c3ccc(Cl)cc3)n(-c3cccc(F)c3)c2=S)C1=O ZINC000095482835 569374421 /nfs/dbraw/zinc/37/44/21/569374421.db2.gz XAUFMSHERFZTJD-INIZCTEOSA-N 0 0 430.892 4.183 50 0 IIAARN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c1 ZINC000095483664 569374651 /nfs/dbraw/zinc/37/46/51/569374651.db2.gz YCFGGOFKEXXIIW-SMIHKQSGSA-N 0 0 428.488 4.363 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3)c(Cl)c2)S1 ZINC000020895989 569374951 /nfs/dbraw/zinc/37/49/51/569374951.db2.gz LROCCAKLDYNEGH-FQEVSTJZSA-N 0 0 447.944 4.189 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H]3CCc4ccccc4C3)o2)c1 ZINC000095941642 569375428 /nfs/dbraw/zinc/37/54/28/569375428.db2.gz DRYFLNZMMBAMTN-LJQANCHMSA-N 0 0 443.594 4.417 50 0 IIAARN COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)nn1 ZINC000021089738 569376055 /nfs/dbraw/zinc/37/60/55/569376055.db2.gz OKHHYOQUMMVXEO-UHFFFAOYSA-N 0 0 427.379 4.111 50 0 IIAARN CCCNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3cc(F)ccc32)cc1 ZINC000095948801 569376570 /nfs/dbraw/zinc/37/65/70/569376570.db2.gz HRWDXCBUCRNEDF-UHFFFAOYSA-N 0 0 428.411 4.220 50 0 IIAARN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000095966835 569377339 /nfs/dbraw/zinc/37/73/39/569377339.db2.gz JBVDPWJDNWMFCX-UHFFFAOYSA-N 0 0 440.516 4.196 50 0 IIAARN Cc1ccnc(-c2ccc(NC(=O)C[S@@](=O)Cc3ccc(Br)cc3)cc2)n1 ZINC000095973389 569377466 /nfs/dbraw/zinc/37/74/66/569377466.db2.gz TVZVJYCNMLUZBA-HHHXNRCGSA-N 0 0 444.354 4.102 50 0 IIAARN Cc1c(Cl)ccc2c1N(S(=O)(=O)c1ccc(C(=O)N3CCCC3)c(F)c1)CCC2 ZINC000095978035 569377717 /nfs/dbraw/zinc/37/77/17/569377717.db2.gz LGJUPHHGSJWWGL-UHFFFAOYSA-N 0 0 436.936 4.165 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000095991682 569378146 /nfs/dbraw/zinc/37/81/46/569378146.db2.gz KRLBEWXPJYBDDQ-VCDSYBKSSA-N 0 0 431.964 4.253 50 0 IIAARN CC(=O)OCCCc1cccc(NC(=O)c2cccc(C)c2I)c1 ZINC000096012056 569380022 /nfs/dbraw/zinc/38/00/22/569380022.db2.gz GXILFACXHQIDIK-UHFFFAOYSA-N 0 0 437.277 4.348 50 0 IIAARN Brc1cnc(CN(CCc2ccccc2)[C@@H]2CCOC2)c(Br)c1 ZINC000096013608 569380425 /nfs/dbraw/zinc/38/04/25/569380425.db2.gz ZANZNSAMYHBPGM-MRXNPFEDSA-N 0 0 440.179 4.440 50 0 IIAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099419 569381575 /nfs/dbraw/zinc/38/15/75/569381575.db2.gz YHMZTAXBRYDTAO-UHFFFAOYSA-N 0 0 434.561 4.424 50 0 IIAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000096099618 569381628 /nfs/dbraw/zinc/38/16/28/569381628.db2.gz XWHNGHZDCAVNRX-UHFFFAOYSA-N 0 0 449.572 4.292 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 ZINC000096114173 569382691 /nfs/dbraw/zinc/38/26/91/569382691.db2.gz BGOSAFQUSLTLCB-NFBKMPQASA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N[C@H]1CCOC(C)(C)C1)COC2=O ZINC000096116043 569383391 /nfs/dbraw/zinc/38/33/91/569383391.db2.gz UKHLKGDSYNFLLB-QRMGNNRRSA-N 0 0 445.556 4.025 50 0 biogenic IIAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cc1O ZINC000096118063 569384461 /nfs/dbraw/zinc/38/44/61/569384461.db2.gz AJESNGFBRIICRA-SFHVURJKSA-N 0 0 446.326 4.124 50 0 IIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119158 569384627 /nfs/dbraw/zinc/38/46/27/569384627.db2.gz XCFRTIRNZWSZKB-LBPRGKRZSA-N 0 0 443.472 4.385 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccccn2)C(=O)c2cccs2)c1C ZINC000096210569 569386461 /nfs/dbraw/zinc/38/64/61/569386461.db2.gz GHGIQZNMGVDCIG-INIZCTEOSA-N 0 0 439.537 4.179 50 0 IIAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000096232154 569387740 /nfs/dbraw/zinc/38/77/40/569387740.db2.gz VPTGZNHLFTXTQN-NRFANRHFSA-N 0 0 449.580 4.423 50 0 IIAARN O=C(CN1CCN(c2ccccc2)CC1)N[C@H]1Cc2ccccc2Sc2ccccc21 ZINC000096235453 569387867 /nfs/dbraw/zinc/38/78/67/569387867.db2.gz KMHQMICCFBRBTG-QHCPKHFHSA-N 0 0 429.589 4.373 50 0 IIAARN CCC(=O)Nc1ccc2c(cc(C(=O)N3CCN(CC)CC3)n2Cc2cccc(C)c2)c1 ZINC000096275875 569388367 /nfs/dbraw/zinc/38/83/67/569388367.db2.gz YAIGKAKAEOBLID-UHFFFAOYSA-N 0 0 432.568 4.124 50 0 IIAARN COc1cc(OC)cc(-c2noc(CCN(CC(C)C)C(=O)CCc3ccccc3)n2)c1 ZINC000096278138 569388961 /nfs/dbraw/zinc/38/89/61/569388961.db2.gz DBWHGKHEUGDBDB-UHFFFAOYSA-N 0 0 437.540 4.414 50 0 IIAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000096279345 569389330 /nfs/dbraw/zinc/38/93/30/569389330.db2.gz BAAUVYCITMRVGZ-IBGZPJMESA-N 0 0 444.601 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IIAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccc2c(c1)OCO2 ZINC000057505629 569438179 /nfs/dbraw/zinc/43/81/79/569438179.db2.gz VXFWCCVJQHRHOR-UHFFFAOYSA-N 0 0 428.901 4.202 50 0 IIAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1C ZINC000057524105 569439065 /nfs/dbraw/zinc/43/90/65/569439065.db2.gz HXGFGFOPZBUFAQ-UHFFFAOYSA-N 0 0 429.505 4.471 50 0 IIAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](CO)c1ccccc1 ZINC000230208091 569440068 /nfs/dbraw/zinc/44/00/68/569440068.db2.gz JOVNQKSSMBTNKV-QHCPKHFHSA-N 0 0 443.499 4.251 50 0 biogenic IIAARN CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030011849 569440311 /nfs/dbraw/zinc/44/03/11/569440311.db2.gz PLIMQVMBKONDTA-UHFFFAOYSA-N 0 0 430.476 4.428 50 0 IIAARN CC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000030181555 569440990 /nfs/dbraw/zinc/44/09/90/569440990.db2.gz JCRQOBVHDSYSIU-UHFFFAOYSA-N 0 0 437.540 4.471 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003177730 569441288 /nfs/dbraw/zinc/44/12/88/569441288.db2.gz CGZFHPSPVVPHKF-SFHVURJKSA-N 0 0 426.460 4.196 50 0 IIAARN O=C(c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)N1CCCC1 ZINC000003199578 569441613 /nfs/dbraw/zinc/44/16/13/569441613.db2.gz OPAYZTFDRXACBY-UHFFFAOYSA-N 0 0 432.851 4.396 50 0 IIAARN C=C1C(NC2CCN(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672051 569442823 /nfs/dbraw/zinc/44/28/23/569442823.db2.gz AAFSQQZHKXYVIO-UHFFFAOYSA-N 0 0 429.973 4.067 50 0 IIAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000003249084 569442843 /nfs/dbraw/zinc/44/28/43/569442843.db2.gz RFTMWYBVCNTTBJ-FQEVSTJZSA-N 0 0 436.895 4.246 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 ZINC000003266036 569443440 /nfs/dbraw/zinc/44/34/40/569443440.db2.gz HFMOKPPLVGAION-UHFFFAOYSA-N 0 0 449.484 4.298 50 0 IIAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 ZINC000003272491 569443566 /nfs/dbraw/zinc/44/35/66/569443566.db2.gz GVLCIWIMXFWEFU-UHFFFAOYSA-N 0 0 432.457 4.488 50 0 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/nfs/dbraw/zinc/44/50/40/569445040.db2.gz LXERFDYAJGQCHB-UHFFFAOYSA-N 0 0 439.317 4.248 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C ZINC000003303119 569445112 /nfs/dbraw/zinc/44/51/12/569445112.db2.gz MLJKDAOFGIWXQU-UHFFFAOYSA-N 0 0 444.560 4.489 50 0 IIAARN CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000058023698 569445501 /nfs/dbraw/zinc/44/55/01/569445501.db2.gz LYTDWWAMNYOSLD-NRFANRHFSA-N 0 0 443.975 4.128 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1 ZINC000003315137 569445663 /nfs/dbraw/zinc/44/56/63/569445663.db2.gz ZMAULWAUVLWSSB-NRFANRHFSA-N 0 0 429.505 4.337 50 0 IIAARN COc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003320660 569445966 /nfs/dbraw/zinc/44/59/66/569445966.db2.gz HKGLUKUKOBJYKI-UHFFFAOYSA-N 0 0 433.489 4.405 50 0 IIAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnc(-c2cccs2)o1 ZINC000003323493 569446084 /nfs/dbraw/zinc/44/60/84/569446084.db2.gz UPDSIMXTQNRGEI-UHFFFAOYSA-N 0 0 444.516 4.074 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 ZINC000003330072 569446372 /nfs/dbraw/zinc/44/63/72/569446372.db2.gz GHHQAAMZXKQJPY-QGZVFWFLSA-N 0 0 442.471 4.302 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 ZINC000003341151 569446865 /nfs/dbraw/zinc/44/68/65/569446865.db2.gz NQIRDAFLQJGUDK-UHFFFAOYSA-N 0 0 439.489 4.076 50 0 IIAARN CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 ZINC000003343107 569446987 /nfs/dbraw/zinc/44/69/87/569446987.db2.gz XNISJKHHOBUNFE-HUUCEWRRSA-N 0 0 428.533 4.471 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2-c2ccccc2)cc1 ZINC000003347026 569447168 /nfs/dbraw/zinc/44/71/68/569447168.db2.gz ZRRLPZYLAYDGNC-UHFFFAOYSA-N 0 0 444.560 4.394 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000003350119 569447291 /nfs/dbraw/zinc/44/72/91/569447291.db2.gz SZXABTQTPLIMJM-UHFFFAOYSA-N 0 0 430.533 4.263 50 0 IIAARN CCOc1ccccc1Nc1nnc(SCC(=O)NCCc2ccc(OC)cc2)s1 ZINC000003361887 569447942 /nfs/dbraw/zinc/44/79/42/569447942.db2.gz ULXUOBOHKKDLGI-UHFFFAOYSA-N 0 0 444.582 4.140 50 0 IIAARN COc1ccc(CNC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)cc1OC ZINC000003365164 569448084 /nfs/dbraw/zinc/44/80/84/569448084.db2.gz IKUUPWXCGDJBQA-UHFFFAOYSA-N 0 0 444.582 4.324 50 0 IIAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000003373050 569448576 /nfs/dbraw/zinc/44/85/76/569448576.db2.gz YVAMUBVGEYTJOX-SFHVURJKSA-N 0 0 434.492 4.001 50 0 IIAARN CCN(CC)c1ccc(NC(=O)Cn2c(C)nc3c4cccnc4sc3c2=O)c(C)c1 ZINC000058167510 569449516 /nfs/dbraw/zinc/44/95/16/569449516.db2.gz BRVJIIQRRBNDTB-UHFFFAOYSA-N 0 0 435.553 4.108 50 0 IIAARN COc1cc(C(=O)COC(=O)c2cc(Cl)c(OC)c(OC)c2)ccc1OC(F)F ZINC000003445244 569451367 /nfs/dbraw/zinc/45/13/67/569451367.db2.gz HAHLMQMTDOPGGM-UHFFFAOYSA-N 0 0 430.787 4.007 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1OC ZINC000003449795 569451638 /nfs/dbraw/zinc/45/16/38/569451638.db2.gz LEUHUQCWUOTCFU-QFIPXVFZSA-N 0 0 439.439 4.388 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000030999783 569452368 /nfs/dbraw/zinc/45/23/68/569452368.db2.gz ZRBFWYWCOSZGDZ-IBGZPJMESA-N 0 0 431.565 4.418 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3)nc3onc(C)c31)CC2 ZINC000031035465 569452726 /nfs/dbraw/zinc/45/27/26/569452726.db2.gz FCECQKIEVWGBMD-UHFFFAOYSA-N 0 0 429.476 4.414 50 0 IIAARN O=C(c1cc2c(s1)CCCCCC2)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000031041791 569452845 /nfs/dbraw/zinc/45/28/45/569452845.db2.gz ZOIJZHLNYIDIBM-UHFFFAOYSA-N 0 0 442.610 4.477 50 0 IIAARN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003530258 569453312 /nfs/dbraw/zinc/45/33/12/569453312.db2.gz DXTNXWJLBZUBJM-JTQLQIEISA-N 0 0 429.778 4.314 50 0 IIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000031107845 569453610 /nfs/dbraw/zinc/45/36/10/569453610.db2.gz NMCQUKHYYZKSBY-UHFFFAOYSA-N 0 0 432.528 4.034 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000003548800 569453714 /nfs/dbraw/zinc/45/37/14/569453714.db2.gz NSEZQGMZANYBEN-HXUWFJFHSA-N 0 0 435.597 4.021 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1CC(F)(F)F ZINC000003553386 569453855 /nfs/dbraw/zinc/45/38/55/569453855.db2.gz YODHSJIKDMHDOP-UHFFFAOYSA-N 0 0 439.415 4.421 50 0 IIAARN O=C(OCc1nnc(-c2cccs2)o1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000003567766 569454116 /nfs/dbraw/zinc/45/41/16/569454116.db2.gz XHKLQUDKYHLFHR-UHFFFAOYSA-N 0 0 437.477 4.084 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2N)cc1 ZINC000003568542 569454149 /nfs/dbraw/zinc/45/41/49/569454149.db2.gz LNFFJFKGZNOOJW-UHFFFAOYSA-N 0 0 431.949 4.079 50 0 IIAARN CNc1snc(C)c1C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031165242 569454233 /nfs/dbraw/zinc/45/42/33/569454233.db2.gz JRWDOIICRHFRQU-UHFFFAOYSA-N 0 0 430.574 4.319 50 0 IIAARN COc1cc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc(OC)c1OC ZINC000003582203 569454357 /nfs/dbraw/zinc/45/43/57/569454357.db2.gz NLLTYGDBOVFMGV-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN CCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)c1 ZINC000003606955 569454933 /nfs/dbraw/zinc/45/49/33/569454933.db2.gz NBVRWGXFWVQVQT-UHFFFAOYSA-N 0 0 438.549 4.231 50 0 IIAARN O=C(CCOc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000003635471 569455480 /nfs/dbraw/zinc/45/54/80/569455480.db2.gz MOXCYFXHMJVAAF-DEOSSOPVSA-N 0 0 430.504 4.138 50 0 IIAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031318058 569455792 /nfs/dbraw/zinc/45/57/92/569455792.db2.gz AWYHGPWEMBFOQK-UHFFFAOYSA-N 0 0 438.833 4.275 50 0 IIAARN C[C@H](NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000031379229 569456169 /nfs/dbraw/zinc/45/61/69/569456169.db2.gz VACUXQIADNFLRQ-FQEVSTJZSA-N 0 0 427.548 4.271 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000031391934 569456273 /nfs/dbraw/zinc/45/62/73/569456273.db2.gz NRYMBEIDWSVWIR-SFHVURJKSA-N 0 0 443.594 4.350 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)ccc1F ZINC000031773872 569457368 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COc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)C=Cc3ccccc3)cc2)cc1 ZINC000035112420 523157671 /nfs/dbraw/zinc/15/76/71/523157671.db2.gz JNEUEFUXDRIFKG-APSNUPSMSA-N 0 0 439.471 4.382 50 0 IIAARN COc1ccc(-c2nc(CC(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)cs2)cc1 ZINC000012322131 523195146 /nfs/dbraw/zinc/19/51/46/523195146.db2.gz RMVGJCYTFCATPT-UHFFFAOYSA-N 0 0 433.533 4.436 50 0 biogenic IIAARN COc1ccc(-c2nc(NC(=O)CCN3c4ccccc4O[C@H](C)C3=O)sc2C)cc1 ZINC000012777118 523220691 /nfs/dbraw/zinc/22/06/91/523220691.db2.gz UCNDJJAEVSGGOF-CQSZACIVSA-N 0 0 437.521 4.270 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccnc1 ZINC000035655218 523225475 /nfs/dbraw/zinc/22/54/75/523225475.db2.gz GNSMPVPPBPUTEG-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN COCc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](c3cccs3)C(C)C)c2)s1 ZINC000033027588 523249178 /nfs/dbraw/zinc/24/91/78/523249178.db2.gz PIYWMJUKHSAZHU-QGZVFWFLSA-N 0 0 430.555 4.125 50 0 IIAARN CCn1c2ccc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)cc2[nH]c(=O)c1=O ZINC000022065869 523261254 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COc1ccc(-c2noc(CN(C(=O)COc3ccc(C)cc3C)C(C)C)n2)cc1OC ZINC000012654548 523283501 /nfs/dbraw/zinc/28/35/01/523283501.db2.gz BUFFBDOSTZDTJT-UHFFFAOYSA-N 0 0 439.512 4.187 50 0 IIAARN CCn1c2ccccc2nc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000033106445 523284674 /nfs/dbraw/zinc/28/46/74/523284674.db2.gz XTIHOMXGFQGUDQ-UHFFFAOYSA-N 0 0 428.334 4.173 50 0 IIAARN COc1ccc(-c2noc(CSCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1OC ZINC000020931090 523293299 /nfs/dbraw/zinc/29/32/99/523293299.db2.gz AYCZNNWENGFFFI-UHFFFAOYSA-N 0 0 437.880 4.418 50 0 IIAARN CCn1c2ncc(N[C@@H](C)CCc3ccc(OC)cc3)cc2c(NC(C)=O)c1C(=O)OC ZINC000014537158 523297337 /nfs/dbraw/zinc/29/73/37/523297337.db2.gz IRQDWTUIPQHOLX-HNNXBMFYSA-N 0 0 438.528 4.243 50 0 IIAARN COc1ccc(-n2c(S[C@@H](C(=O)N(C)C)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000012553016 523324023 /nfs/dbraw/zinc/32/40/23/523324023.db2.gz IVQXTUSTSKDKOI-OAQYLSRUSA-N 0 0 445.548 4.260 50 0 IIAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000021892618 523337047 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CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)ccc21 ZINC000021938030 523496002 /nfs/dbraw/zinc/49/60/02/523496002.db2.gz DTWVCBUPQPGZAS-NRFANRHFSA-N 0 0 443.613 4.069 50 0 IIAARN CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)Cc1cccc(-n2cccn2)c1 ZINC000012093975 523556185 /nfs/dbraw/zinc/55/61/85/523556185.db2.gz VFURWHSLPUAOBN-UHFFFAOYSA-N 0 0 427.430 4.497 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000029823805 523563174 /nfs/dbraw/zinc/56/31/74/523563174.db2.gz UXHJCRDHEBUTTB-ZDUSSCGKSA-N 0 0 432.858 4.096 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1OC ZINC000012868692 523594181 /nfs/dbraw/zinc/59/41/81/523594181.db2.gz NLBCTXIDVPHXSL-MHZLTWQESA-N 0 0 445.515 4.144 50 0 IIAARN COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3cccc(F)c3)CC2)c2ccccc12 ZINC000012925769 523621210 /nfs/dbraw/zinc/62/12/10/523621210.db2.gz YLRYBOKTYFUPPR-UHFFFAOYSA-N 0 0 434.511 4.498 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)CC(C)(C)C ZINC000035948492 523653210 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CCc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000021800844 523986740 /nfs/dbraw/zinc/98/67/40/523986740.db2.gz GDRNAXLQKXFSCD-UHFFFAOYSA-N 0 0 446.511 4.257 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810515 524021140 /nfs/dbraw/zinc/02/11/40/524021140.db2.gz JQTQELQVQMGUNI-RUZDIDTESA-N 0 0 435.524 4.107 50 0 IIAARN CN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000022514456 524030267 /nfs/dbraw/zinc/03/02/67/524030267.db2.gz FQDZBKQLLJQXCP-UHFFFAOYSA-N 0 0 440.365 4.227 50 0 IIAARN CCc1cccc(C)c1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033063030 524062877 /nfs/dbraw/zinc/06/28/77/524062877.db2.gz PVRJZKAXHLDIFU-UHFFFAOYSA-N 0 0 447.944 4.139 50 0 IIAARN CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(OC)cc1 ZINC000032977730 524077150 /nfs/dbraw/zinc/07/71/50/524077150.db2.gz CNEAVZROUBGRRX-HSZRJFAPSA-N 0 0 427.508 4.224 50 0 IIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCN1CCOCC1)C3=O ZINC000022610868 524098339 /nfs/dbraw/zinc/09/83/39/524098339.db2.gz TWTWCUJURMJQSH-XMMPIXPASA-N 0 0 446.547 4.102 50 0 IIAARN COc1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020444253 524106057 /nfs/dbraw/zinc/10/60/57/524106057.db2.gz ZROONTZXTJBZEM-UHFFFAOYSA-N 0 0 444.900 4.049 50 0 IIAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)c1 ZINC000035178667 524106622 /nfs/dbraw/zinc/10/66/22/524106622.db2.gz YIXPSJSDJJJBMX-HSZRJFAPSA-N 0 0 447.510 4.008 50 0 IIAARN C[C@@H](C(=O)N1CCCCCC1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000015722680 524107972 /nfs/dbraw/zinc/10/79/72/524107972.db2.gz IRHQOUCJLTWZKC-IBGZPJMESA-N 0 0 431.602 4.170 50 0 IIAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCCN(C)c4ccccc4)C3)nn2)c1 ZINC000035398284 524111121 /nfs/dbraw/zinc/11/11/21/524111121.db2.gz OEFOPPQHLIFQBT-QHCPKHFHSA-N 0 0 443.595 4.311 50 0 IIAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000012556088 524115543 /nfs/dbraw/zinc/11/55/43/524115543.db2.gz PYDPQARJJZHOBF-UHFFFAOYSA-N 0 0 441.988 4.227 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060415 524123209 /nfs/dbraw/zinc/12/32/09/524123209.db2.gz RMUKMXWYKOMRIL-ZEQRLZLVSA-N 0 0 446.522 4.349 50 0 IIAARN Cc1ccc(C)c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000014358976 524137672 /nfs/dbraw/zinc/13/76/72/524137672.db2.gz XWGZLKGQUGKGCG-UHFFFAOYSA-N 0 0 430.551 4.208 50 0 IIAARN COc1ccc(Cc2nc3ccc(C(=O)NCCc4ncccc4C)cc3o2)cc1OC ZINC000011936892 524167045 /nfs/dbraw/zinc/16/70/45/524167045.db2.gz KEWXIWMYMHTGPR-UHFFFAOYSA-N 0 0 431.492 4.112 50 0 IIAARN COc1cccc([C@H]2OC(c3cc(C4CC4)nc4ccccc43)=NN2C(C)=O)c1OC(C)=O ZINC000021941296 524186783 /nfs/dbraw/zinc/18/67/83/524186783.db2.gz APZYUGPRSNOHIX-RUZDIDTESA-N 0 0 445.475 4.285 50 0 IIAARN Cc1cc(C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)c2cnn(C)c2n1 ZINC000036616453 524187739 /nfs/dbraw/zinc/18/77/39/524187739.db2.gz VYJWFMHHTQHAFD-UHFFFAOYSA-N 0 0 433.274 4.220 50 0 IIAARN COc1ccc(Cl)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000012345015 524189123 /nfs/dbraw/zinc/18/91/23/524189123.db2.gz CCZNUUZCZDRGHO-UHFFFAOYSA-N 0 0 431.322 4.024 50 0 IIAARN C[C@@H]1CCCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012155191 524195206 /nfs/dbraw/zinc/19/52/06/524195206.db2.gz UYMFSCBNFABKMI-XHCCPWGMSA-N 0 0 430.548 4.161 50 0 IIAARN C[C@@H](C(=O)NCc1cc(F)ccc1Br)N1C(=S)N=NC1c1cccs1 ZINC000065476550 524204583 /nfs/dbraw/zinc/20/45/83/524204583.db2.gz UKFIAFURYOLUOM-VIFPVBQESA-N 0 0 441.351 4.074 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000017975511 524223035 /nfs/dbraw/zinc/22/30/35/524223035.db2.gz YNFFBLFHBSHLLE-UHFFFAOYSA-N 0 0 429.929 4.491 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(n2cnc3c(C)cccc3c2=O)CC1 ZINC000033278447 524234361 /nfs/dbraw/zinc/23/43/61/524234361.db2.gz MYWDJDIVMNKFOH-UHFFFAOYSA-N 0 0 426.904 4.236 50 0 IIAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@H](C)Cc4ccco4)cc3)c(=O)oc21 ZINC000012296781 524254300 /nfs/dbraw/zinc/25/43/00/524254300.db2.gz BEDOGUHDSHZODV-MRXNPFEDSA-N 0 0 433.460 4.188 50 0 biogenic IIAARN Cc1cccc(C)c1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021763102 524280139 /nfs/dbraw/zinc/28/01/39/524280139.db2.gz MFCSVZAQVAWNLL-UHFFFAOYSA-N 0 0 435.446 4.116 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21 ZINC000012462940 524284653 /nfs/dbraw/zinc/28/46/53/524284653.db2.gz VINOAFPEWPTSHR-UHFFFAOYSA-N 0 0 439.515 4.187 50 0 biogenic,in-vitro IIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000012784855 524284640 /nfs/dbraw/zinc/28/46/40/524284640.db2.gz PETHJCOLMIGIMJ-NRFANRHFSA-N 0 0 430.508 4.174 50 0 IIAARN COc1ccccc1-c1nnc(Sc2cc(C)nc3ncnn32)n1CCc1ccccc1 ZINC000012756136 524290924 /nfs/dbraw/zinc/29/09/24/524290924.db2.gz VKBAEUHWYURGJZ-UHFFFAOYSA-N 0 0 443.536 4.094 50 0 IIAARN COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC000012293151 524307566 /nfs/dbraw/zinc/30/75/66/524307566.db2.gz WVMVSLQFLARNAS-UHFFFAOYSA-N 0 0 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4.185 50 0 aggregator IIAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@@H]12 ZINC000001092985 555627527 /nfs/dbraw/zinc/62/75/27/555627527.db2.gz OIRVXXYXCOYSQP-MSRUFZRRSA-N 0 0 437.495 4.434 50 0 IIAARN O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccc(Oc2ccccc2)cc1 ZINC000001110429 555631087 /nfs/dbraw/zinc/63/10/87/555631087.db2.gz JTHKEWIHLWXUSY-UHFFFAOYSA-N 0 0 426.428 4.316 50 0 IIAARN CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc1 ZINC000001119384 555636457 /nfs/dbraw/zinc/63/64/57/555636457.db2.gz DIWKRMCYKQDHBB-UHFFFAOYSA-N 0 0 441.911 4.452 50 0 IIAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001119555 555636654 /nfs/dbraw/zinc/63/66/54/555636654.db2.gz UZGJKNXJEWEBTB-CHWSQXEVSA-N 0 0 445.368 4.476 50 0 IIAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O ZINC000001119590 555636673 /nfs/dbraw/zinc/63/66/73/555636673.db2.gz SHKICKKPGNIPTL-UHFFFAOYSA-N 0 0 444.940 4.420 50 0 IIAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 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ZINC000008439754 556175880 /nfs/dbraw/zinc/17/58/80/556175880.db2.gz URMIDISYCNRIJD-SANMLTNESA-N 0 0 447.579 4.458 50 0 IIAARN CC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)NCCOc1ccccc1 ZINC000008439770 556175891 /nfs/dbraw/zinc/17/58/91/556175891.db2.gz XEXSRHFYLYKZBX-UHFFFAOYSA-N 0 0 448.519 4.300 50 0 IIAARN CC(=O)N1c2ccccc2[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)[C@H]1/C=C/c1ccccc1 ZINC000008448183 556180451 /nfs/dbraw/zinc/18/04/51/556180451.db2.gz JTZMAMKZGJKUDE-JIFMGABTSA-N 0 0 436.511 4.332 50 0 IIAARN Cc1c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008452318 556182813 /nfs/dbraw/zinc/18/28/13/556182813.db2.gz FEPDQAXQMFPXIA-UHFFFAOYSA-N 0 0 440.714 4.462 50 0 IIAARN C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008587359 556188281 /nfs/dbraw/zinc/18/82/81/556188281.db2.gz BUOBCPOGQNZAKC-VIFPVBQESA-N 0 0 431.867 4.440 50 0 IIAARN Cc1cccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccccc4)nn3c2C)c1 ZINC000008591449 556188994 /nfs/dbraw/zinc/18/89/94/556188994.db2.gz LYKCEKAYPUHPKG-UHFFFAOYSA-N 0 0 431.565 4.049 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)c1 ZINC000008594948 556190198 /nfs/dbraw/zinc/19/01/98/556190198.db2.gz QQURTPQMTGVGRA-XMMPIXPASA-N 0 0 434.492 4.314 50 0 IIAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000008715889 556202376 /nfs/dbraw/zinc/20/23/76/556202376.db2.gz JNUZORVKYCJEIK-UHFFFAOYSA-N 0 0 429.505 4.263 50 0 IIAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)N[C@H]4CCCc5occc54)CC3)n2)cc1 ZINC000097438265 556204107 /nfs/dbraw/zinc/20/41/07/556204107.db2.gz AWMLJMQDLAAPSJ-PXNSSMCTSA-N 0 0 435.528 4.104 50 0 IIAARN NC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000010606142 556210987 /nfs/dbraw/zinc/21/09/87/556210987.db2.gz OFKFXBHYMACMEW-UHFFFAOYSA-N 0 0 443.956 4.071 50 0 IIAARN CCCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl ZINC000008768774 556213006 /nfs/dbraw/zinc/21/30/06/556213006.db2.gz IYUHVEISVSYNPZ-HNNXBMFYSA-N 0 0 435.735 4.407 50 0 IIAARN CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)ccc1O ZINC000008845135 556226718 /nfs/dbraw/zinc/22/67/18/556226718.db2.gz SFKGRUFVFOCXCX-XMMPIXPASA-N 0 0 442.475 4.027 50 0 IIAARN CCCNC(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc21 ZINC000008964887 556237246 /nfs/dbraw/zinc/23/72/46/556237246.db2.gz LAMMIFMHZIKHKS-UHFFFAOYSA-N 0 0 439.512 4.392 50 0 biogenic IIAARN COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc(OC)c1 ZINC000009010046 556240547 /nfs/dbraw/zinc/24/05/47/556240547.db2.gz VTKCCKLEPFXJRK-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN O=C(Cc1ccccc1)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000009130334 556248893 /nfs/dbraw/zinc/24/88/93/556248893.db2.gz PPECQCVYRZSMRK-HXUWFJFHSA-N 0 0 443.952 4.358 50 0 IIAARN COCCCNS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000009190841 556252906 /nfs/dbraw/zinc/25/29/06/556252906.db2.gz IIGZHCDOSAYMFU-UHFFFAOYSA-N 0 0 438.958 4.122 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009197502 556255639 /nfs/dbraw/zinc/25/56/39/556255639.db2.gz QMOXSPXGUFPXKJ-RBUKOAKNSA-N 0 0 443.960 4.290 50 0 IIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 ZINC000009198614 556256411 /nfs/dbraw/zinc/25/64/11/556256411.db2.gz JSONXCLTJFSJRY-INIZCTEOSA-N 0 0 438.578 4.352 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009199827 556257397 /nfs/dbraw/zinc/25/73/97/556257397.db2.gz JLEHZJDGALJRMT-ZDUSSCGKSA-N 0 0 442.928 4.281 50 0 IIAARN COc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc1OC ZINC000009224601 556258650 /nfs/dbraw/zinc/25/86/50/556258650.db2.gz BXOYWPMASKKOIH-UHFFFAOYSA-N 0 0 425.448 4.269 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009237284 556264428 /nfs/dbraw/zinc/26/44/28/556264428.db2.gz WUKCNUBVAXTMPB-SJORKVTESA-N 0 0 433.459 4.312 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009238911 556265023 /nfs/dbraw/zinc/26/50/23/556265023.db2.gz XLYYDABMWNRFIV-MOPGFXCFSA-N 0 0 443.960 4.345 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000009238601 556265071 /nfs/dbraw/zinc/26/50/71/556265071.db2.gz QXDDPMCUUXPHLX-MOPGFXCFSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009238991 556265297 /nfs/dbraw/zinc/26/52/97/556265297.db2.gz AKUCACZQUHRJOK-MSOLQXFVSA-N 0 0 429.933 4.036 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239317 556265837 /nfs/dbraw/zinc/26/58/37/556265837.db2.gz GVZPWOSTASBAGO-QZTJIDSGSA-N 0 0 431.924 4.339 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)c1 ZINC000009288058 556272546 /nfs/dbraw/zinc/27/25/46/556272546.db2.gz MSUHUBROKNVZDK-JOCHJYFZSA-N 0 0 429.476 4.061 50 0 IIAARN COc1cc(-c2nnc3sc(-c4ccc(Cl)nc4Cl)nn32)cc(OC)c1OC ZINC000013693772 556283295 /nfs/dbraw/zinc/28/32/95/556283295.db2.gz WSRFQGQYYUGCFH-UHFFFAOYSA-N 0 0 438.296 4.247 50 0 IIAARN CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4OC)C3)sc2c1 ZINC000009342330 556283422 /nfs/dbraw/zinc/28/34/22/556283422.db2.gz FPAGSQIPCMCLLO-CQSZACIVSA-N 0 0 425.510 4.004 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(C(F)(F)F)cc1 ZINC000013718506 556288267 /nfs/dbraw/zinc/28/82/67/556288267.db2.gz JJTLRZNSUGMWAF-UHFFFAOYSA-N 0 0 431.414 4.159 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000009424487 556289620 /nfs/dbraw/zinc/28/96/20/556289620.db2.gz UMJRCHPTWWIHPE-UHFFFAOYSA-N 0 0 435.509 4.029 50 0 IIAARN O=c1nc2nc(SCc3cccc(Cl)c3)[nH]cc-2c(=O)n1-c1ccc(Cl)cc1 ZINC000009427267 556290869 /nfs/dbraw/zinc/29/08/69/556290869.db2.gz ZUVSIAQPGNXKNR-UHFFFAOYSA-N 0 0 431.304 4.068 50 0 IIAARN CCCCCOc1ccc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009431276 556291329 /nfs/dbraw/zinc/29/13/29/556291329.db2.gz YMTOBGGAISQNAM-LJQANCHMSA-N 0 0 435.611 4.455 50 0 IIAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009483569 556294227 /nfs/dbraw/zinc/29/42/27/556294227.db2.gz KOLFUBZHWLECSS-IBGZPJMESA-N 0 0 429.505 4.246 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1c(Cl)cccc1Cl)N2c1ccc(F)cc1 ZINC000013733657 556296766 /nfs/dbraw/zinc/29/67/66/556296766.db2.gz WTUGLWQXVRJYLY-SJORKVTESA-N 0 0 445.368 4.408 50 0 IIAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(OC(F)F)c3)=NN12 ZINC000013751069 556298992 /nfs/dbraw/zinc/29/89/92/556298992.db2.gz BACJKWBFWGVYIS-HXUWFJFHSA-N 0 0 427.451 4.170 50 0 IIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 ZINC000009560011 556299157 /nfs/dbraw/zinc/29/91/57/556299157.db2.gz YAZVCNDFVUKQBP-HNNXBMFYSA-N 0 0 434.275 4.343 50 0 IIAARN CCc1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009663509 556304849 /nfs/dbraw/zinc/30/48/49/556304849.db2.gz PDWQBCPMCAKINT-NRFANRHFSA-N 0 0 442.519 4.133 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000013770580 556305251 /nfs/dbraw/zinc/30/52/51/556305251.db2.gz LGLDVSSHEMQHGF-UZUQRXQVSA-N 0 0 449.503 4.151 50 0 IIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@H](c1ccc(Cl)cc1)N2 ZINC000013776263 556307204 /nfs/dbraw/zinc/30/72/04/556307204.db2.gz VSRDEJBRZDHAKU-IAGOWNOFSA-N 0 0 442.306 4.385 50 0 IIAARN O=C(CSc1nc2ncccc2c(=O)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000009830287 556310392 /nfs/dbraw/zinc/31/03/92/556310392.db2.gz IJJNSDIOKXURLF-UHFFFAOYSA-N 0 0 436.924 4.224 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1 ZINC000009830326 556310766 /nfs/dbraw/zinc/31/07/66/556310766.db2.gz JUKCZDFFDFVNOC-UHFFFAOYSA-N 0 0 434.496 4.018 50 0 IIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000013806294 556311114 /nfs/dbraw/zinc/31/11/14/556311114.db2.gz QPMYMXRRLHYHTG-MBDNFAEBSA-N 0 0 439.519 4.188 50 0 IIAARN COc1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1OC ZINC000009831074 556312349 /nfs/dbraw/zinc/31/23/49/556312349.db2.gz ZRFZGGVQJCFGSY-UHFFFAOYSA-N 0 0 426.480 4.011 50 0 IIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)o2)cc1 ZINC000032745207 556314783 /nfs/dbraw/zinc/31/47/83/556314783.db2.gz SUJZQANFVQFNMM-IBGZPJMESA-N 0 0 438.553 4.315 50 0 IIAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032747362 556316016 /nfs/dbraw/zinc/31/60/16/556316016.db2.gz NIWRYEKGXSMNHU-CQSZACIVSA-N 0 0 425.495 4.189 50 0 IIAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3cccnc3)C2=O)c1 ZINC000009933963 556317262 /nfs/dbraw/zinc/31/72/62/556317262.db2.gz KKWZWUDWGDFZJH-NRFANRHFSA-N 0 0 448.910 4.410 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000013843189 556318139 /nfs/dbraw/zinc/31/81/39/556318139.db2.gz MBAVLLQZIJSXBF-NSHDSACASA-N 0 0 433.574 4.264 50 0 IIAARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000013843182 556318163 /nfs/dbraw/zinc/31/81/63/556318163.db2.gz WRKGPHKLRGPEHW-CYBMUJFWSA-N 0 0 429.611 4.433 50 0 IIAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000009971827 556319557 /nfs/dbraw/zinc/31/95/57/556319557.db2.gz VRIMMXRSCOOCNE-QHCPKHFHSA-N 0 0 446.507 4.127 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc(Br)s1 ZINC000032759550 556319877 /nfs/dbraw/zinc/31/98/77/556319877.db2.gz BYRALYHSRQRULT-UHFFFAOYSA-N 0 0 436.303 4.076 50 0 IIAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000013858171 556321647 /nfs/dbraw/zinc/32/16/47/556321647.db2.gz RIXBIBTZHMGSDG-LBPRGKRZSA-N 0 0 434.867 4.460 50 0 IIAARN O=C(COc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000013858301 556322204 /nfs/dbraw/zinc/32/22/04/556322204.db2.gz WXIDKYMCUOOFRR-KDURUIRLSA-N 0 0 440.293 4.166 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754197 556323506 /nfs/dbraw/zinc/32/35/06/556323506.db2.gz KGZXYBDNYOISLV-CHWSQXEVSA-N 0 0 430.353 4.384 50 0 IIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)COc2c(C)cccc2C)n1 ZINC000010060534 556324681 /nfs/dbraw/zinc/32/46/81/556324681.db2.gz AUSSHJODEVUDDO-UHFFFAOYSA-N 0 0 433.508 4.350 50 0 IIAARN Cc1ccccc1-n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000032777041 556327469 /nfs/dbraw/zinc/32/74/69/556327469.db2.gz ZOIFTTMQWPHKNY-UHFFFAOYSA-N 0 0 429.501 4.394 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(F)c(F)c4F)n3C)oc21 ZINC000010175343 556327605 /nfs/dbraw/zinc/32/76/05/556327605.db2.gz MNRMOEUBWKNZFG-UHFFFAOYSA-N 0 0 448.426 4.385 50 0 IIAARN CCc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013898655 556330452 /nfs/dbraw/zinc/33/04/52/556330452.db2.gz HYFGXMSSAZBFLH-UHFFFAOYSA-N 0 0 436.533 4.286 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1=O ZINC000032764637 556331970 /nfs/dbraw/zinc/33/19/70/556331970.db2.gz LFYFEWHLQUUODF-OCCSQVGLSA-N 0 0 438.858 4.180 50 0 IIAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1=O ZINC000010462015 556335577 /nfs/dbraw/zinc/33/55/77/556335577.db2.gz YIIQHEBTDSOXTC-QGZVFWFLSA-N 0 0 427.932 4.488 50 0 IIAARN Cc1cc(=O)n2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)sc2n1 ZINC000032774343 556336644 /nfs/dbraw/zinc/33/66/44/556336644.db2.gz HQOXPPNBQSRSHG-UHFFFAOYSA-N 0 0 444.545 4.271 50 0 IIAARN CCc1c(C)sc2nc(SCc3nnsc3Cl)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000032776114 556336907 /nfs/dbraw/zinc/33/69/07/556336907.db2.gz VQILIIBMEOCDMD-JTQLQIEISA-N 0 0 443.019 4.305 50 0 IIAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000011024794 556339166 /nfs/dbraw/zinc/33/91/66/556339166.db2.gz KMCPWNNSWNSJGJ-FQEVSTJZSA-N 0 0 436.489 4.275 50 0 IIAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OC ZINC000013942634 556340017 /nfs/dbraw/zinc/34/00/17/556340017.db2.gz WHQKAXOPJGBGKS-LICLKQGHSA-N 0 0 446.912 4.341 50 0 IIAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccccc1Br ZINC000013944260 556341356 /nfs/dbraw/zinc/34/13/56/556341356.db2.gz RJLSUPDLJYZCHE-LBPRGKRZSA-N 0 0 443.326 4.073 50 0 IIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCCOc3ccccc3)s2)CC1=O ZINC000013944448 556341706 /nfs/dbraw/zinc/34/17/06/556341706.db2.gz CYGWXCAGTDQGFU-KRWDZBQOSA-N 0 0 436.537 4.165 50 0 IIAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(C)c(Cl)c4)CC3=O)c2c1 ZINC000013944683 556341985 /nfs/dbraw/zinc/34/19/85/556341985.db2.gz MPFKVTMUPPAFTG-MRXNPFEDSA-N 0 0 425.916 4.168 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944705 556342024 /nfs/dbraw/zinc/34/20/24/556342024.db2.gz ZZJYHMAWCULQEI-MRXNPFEDSA-N 0 0 425.916 4.168 50 0 IIAARN O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944858 556342352 /nfs/dbraw/zinc/34/23/52/556342352.db2.gz IHBAKKXCQWJJGF-AWEZNQCLSA-N 0 0 444.304 4.099 50 0 IIAARN COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3c3nc4cc(F)ccc4[nH]3)n2)cc1 ZINC000011662158 556343561 /nfs/dbraw/zinc/34/35/61/556343561.db2.gz ICTWDXCEHMRJHP-LJQANCHMSA-N 0 0 435.459 4.266 50 0 IIAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011770422 556350221 /nfs/dbraw/zinc/35/02/21/556350221.db2.gz PZWNBPVXARTGGI-NRFANRHFSA-N 0 0 429.564 4.343 50 0 IIAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N1CCC[C@H](COc2ccccc2F)C1 ZINC000011782706 556351324 /nfs/dbraw/zinc/35/13/24/556351324.db2.gz HBXZGJZVRBYFIN-CYFREDJKSA-N 0 0 444.572 4.176 50 0 IIAARN COc1ccc(-n2nnnc2SCc2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000013985730 556351739 /nfs/dbraw/zinc/35/17/39/556351739.db2.gz MTLMUUUBYZZQJS-UHFFFAOYSA-N 0 0 441.538 4.104 50 0 IIAARN COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2ccccc2C(F)(F)F)C3)nn1 ZINC000011786444 556353519 /nfs/dbraw/zinc/35/35/19/556353519.db2.gz UOBSFNUSCGGTGD-OAHLLOKOSA-N 0 0 443.425 4.213 50 0 IIAARN O=C(Cc1ccc2ccccc2c1)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011785990 556353535 /nfs/dbraw/zinc/35/35/35/556353535.db2.gz OSRKURUJENVQQG-VWLOTQADSA-N 0 0 441.575 4.155 50 0 IIAARN Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccoc2)CC3)c1 ZINC000011786817 556353825 /nfs/dbraw/zinc/35/38/25/556353825.db2.gz TXWFMULWQGCNJA-JOCHJYFZSA-N 0 0 435.572 4.063 50 0 IIAARN CCOc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000014009700 556354393 /nfs/dbraw/zinc/35/43/93/556354393.db2.gz ULLDGSGHKOCYNF-CXUHLZMHSA-N 0 0 449.276 4.088 50 0 IIAARN CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N(C)Cc3ccno3)c21 ZINC000011789870 556355399 /nfs/dbraw/zinc/35/53/99/556355399.db2.gz RQZJVZDIVFIPRN-UHFFFAOYSA-N 0 0 435.459 4.081 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N[C@@H](c1cccnc1)C(F)(F)F ZINC000011791033 556356077 /nfs/dbraw/zinc/35/60/77/556356077.db2.gz WCPGRGAYIDGLOJ-PMACEKPBSA-N 0 0 439.865 4.126 50 0 IIAARN CC(C)(CO)CNC(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000011791246 556356095 /nfs/dbraw/zinc/35/60/95/556356095.db2.gz SWWOGOKLPRIKOB-UHFFFAOYSA-N 0 0 434.540 4.152 50 0 IIAARN CN(Cc1cccc2cnccc21)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000011815819 556358716 /nfs/dbraw/zinc/35/87/16/556358716.db2.gz OKEAKJZZIKXWOG-UHFFFAOYSA-N 0 0 425.414 4.166 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n(-c2ccc(C)cc2)n1 ZINC000014066557 556359297 /nfs/dbraw/zinc/35/92/97/556359297.db2.gz KUVCDVPGXYZDGY-NRFANRHFSA-N 0 0 432.524 4.036 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)c(C)c1 ZINC000011818947 556361080 /nfs/dbraw/zinc/36/10/80/556361080.db2.gz WBAOPIDDUGZNLN-GOSISDBHSA-N 0 0 426.561 4.196 50 0 IIAARN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000032796773 556362491 /nfs/dbraw/zinc/36/24/91/556362491.db2.gz MIOUXBKVCRVJBL-LLVKDONJSA-N 0 0 448.741 4.034 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)n(-c2ccc(C)cc2)n1 ZINC000014095849 556367593 /nfs/dbraw/zinc/36/75/93/556367593.db2.gz KLCZAQWWUJRMJA-UHFFFAOYSA-N 0 0 445.552 4.208 50 0 IIAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878388 556370952 /nfs/dbraw/zinc/37/09/52/556370952.db2.gz FBIXUFFHGSQSBH-GOSISDBHSA-N 0 0 444.597 4.277 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000011878517 556371074 /nfs/dbraw/zinc/37/10/74/556371074.db2.gz SAJVGWWWBTZDDV-XMMPIXPASA-N 0 0 429.463 4.196 50 0 IIAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1nccs1 ZINC000014119645 556371841 /nfs/dbraw/zinc/37/18/41/556371841.db2.gz ZOMOYXAMEWZQQN-UHFFFAOYSA-N 0 0 443.476 4.083 50 0 IIAARN CCn1c(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)nnc1-c1ccncc1 ZINC000014129241 556374505 /nfs/dbraw/zinc/37/45/05/556374505.db2.gz PJCKPYMVNVFIIX-HXUWFJFHSA-N 0 0 435.578 4.419 50 0 IIAARN Cc1cc(-c2ccccc2)nc(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 ZINC000014129406 556374597 /nfs/dbraw/zinc/37/45/97/556374597.db2.gz NNTQEUBVYWVBHY-CYBMUJFWSA-N 0 0 438.578 4.220 50 0 IIAARN COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1OCc1ccccc1 ZINC000014136525 556375109 /nfs/dbraw/zinc/37/51/09/556375109.db2.gz IXGGUXSODUXZKE-UHFFFAOYSA-N 0 0 438.568 4.039 50 0 IIAARN COc1cccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011911851 556375293 /nfs/dbraw/zinc/37/52/93/556375293.db2.gz ZMKKQFJWGFUNNE-GOSISDBHSA-N 0 0 429.476 4.212 50 0 IIAARN O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1cccc(N2CCCC2=O)c1 ZINC000011913636 556376227 /nfs/dbraw/zinc/37/62/27/556376227.db2.gz HKIDOFBQVWQZAZ-OAQYLSRUSA-N 0 0 447.922 4.262 50 0 IIAARN Cc1c2ccccc2oc1C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000014141954 556377331 /nfs/dbraw/zinc/37/73/31/556377331.db2.gz BYIZMUJDQTWYGP-UHFFFAOYSA-N 0 0 448.548 4.193 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000011937508 556379524 /nfs/dbraw/zinc/37/95/24/556379524.db2.gz WIOWKYDNVAWENU-GOSISDBHSA-N 0 0 429.948 4.334 50 0 IIAARN COc1ccc(F)c(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 ZINC000011952340 556380623 /nfs/dbraw/zinc/38/06/23/556380623.db2.gz XMALDVAMGCIHDC-UHFFFAOYSA-N 0 0 442.531 4.122 50 0 IIAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000011956320 556381161 /nfs/dbraw/zinc/38/11/61/556381161.db2.gz DAGMGLWMPMRAAS-NRFANRHFSA-N 0 0 444.579 4.295 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cc12 ZINC000014170179 556381255 /nfs/dbraw/zinc/38/12/55/556381255.db2.gz SBHVLWHRCXGRMV-UHFFFAOYSA-N 0 0 438.475 4.190 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cc1noc2ccccc12 ZINC000014170244 556381322 /nfs/dbraw/zinc/38/13/22/556381322.db2.gz VWQOHUZIFVSDIF-UHFFFAOYSA-N 0 0 425.794 4.140 50 0 IIAARN Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 ZINC000011995974 556384173 /nfs/dbraw/zinc/38/41/73/556384173.db2.gz ZSNQXPCZZCYCPM-HXUWFJFHSA-N 0 0 426.520 4.213 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)c(C)c1 ZINC000014186974 556386453 /nfs/dbraw/zinc/38/64/53/556386453.db2.gz ZYBSQUTYBRIJDE-UHFFFAOYSA-N 0 0 444.572 4.034 50 0 IIAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCn3cccc3[C@H]2C)cc1 ZINC000014187394 556386612 /nfs/dbraw/zinc/38/66/12/556386612.db2.gz RYEOLDBVTBVIER-GOSISDBHSA-N 0 0 432.524 4.154 50 0 IIAARN Cc1ccc(N2C(=O)N(Cc3nnc(-c4ccccc4Br)o3)C(=O)[C@H]2C)cc1 ZINC000014188345 556387023 /nfs/dbraw/zinc/38/70/23/556387023.db2.gz ZHDDXELDSWMSMH-CYBMUJFWSA-N 0 0 441.285 4.165 50 0 IIAARN CCc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000012025755 556387740 /nfs/dbraw/zinc/38/77/40/556387740.db2.gz YEKULAIUAJANDA-QGZVFWFLSA-N 0 0 439.541 4.006 50 0 IIAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014196621 556388546 /nfs/dbraw/zinc/38/85/46/556388546.db2.gz NBEDBZOBJVGAQG-KRWDZBQOSA-N 0 0 439.002 4.336 50 0 IIAARN O=C(CN1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1)Nc1ccccc1Cl ZINC000014202324 556392840 /nfs/dbraw/zinc/39/28/40/556392840.db2.gz SUXBEGUQRTXBBR-UHFFFAOYSA-N 0 0 431.920 4.090 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccs1)c1ccc(F)cc1 ZINC000014228803 556396085 /nfs/dbraw/zinc/39/60/85/556396085.db2.gz PNKUJJHWAAYHDO-JOCHJYFZSA-N 0 0 435.524 4.069 50 0 IIAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000032811065 556397793 /nfs/dbraw/zinc/39/77/93/556397793.db2.gz WTEKKFVQKMNGRE-OAQYLSRUSA-N 0 0 430.526 4.082 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCSc3ccccc32)cc1 ZINC000014240861 556401266 /nfs/dbraw/zinc/40/12/66/556401266.db2.gz GEJDICJNOWDJRU-QGZVFWFLSA-N 0 0 430.595 4.392 50 0 IIAARN COC(=O)c1c(NC(=O)CN[C@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000014242473 556403224 /nfs/dbraw/zinc/40/32/24/556403224.db2.gz ZMVNLLXBSIVCEM-FQEVSTJZSA-N 0 0 426.563 4.403 50 0 IIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000014251700 556409301 /nfs/dbraw/zinc/40/93/01/556409301.db2.gz OCRDKABREDCDJB-UHFFFAOYSA-N 0 0 428.529 4.325 50 0 IIAARN Cc1c(-c2ccccc2)sc2ncn([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c(=O)c12 ZINC000014253436 556409802 /nfs/dbraw/zinc/40/98/02/556409802.db2.gz QDBOGOSTZREZIH-CQSZACIVSA-N 0 0 433.489 4.362 50 0 IIAARN COc1ccc(-c2nc(C(=O)NCC(=O)Nc3cccc(Cl)c3C)cs2)cc1OC ZINC000014252811 556409814 /nfs/dbraw/zinc/40/98/14/556409814.db2.gz YRVMZBNHLGRXHK-UHFFFAOYSA-N 0 0 445.928 4.158 50 0 IIAARN O=C(Oc1ccc(Cl)cc1)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl ZINC000032623818 556411008 /nfs/dbraw/zinc/41/10/08/556411008.db2.gz DXAKTKJCDLAYSC-UHFFFAOYSA-N 0 0 441.267 4.116 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CSCCC(=O)Nc2ccccc2Cl)n1 ZINC000032825945 556411176 /nfs/dbraw/zinc/41/11/76/556411176.db2.gz AEMKWQOZVZAGLO-UHFFFAOYSA-N 0 0 428.949 4.421 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000032832937 556417664 /nfs/dbraw/zinc/41/76/64/556417664.db2.gz OINNPAYBVGALDF-MRXNPFEDSA-N 0 0 442.537 4.044 50 0 IIAARN C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032668310 556418216 /nfs/dbraw/zinc/41/82/16/556418216.db2.gz YEVQGVKMQMVBLQ-CQSZACIVSA-N 0 0 429.519 4.215 50 0 IIAARN Cc1nn(-c2ccccc2)c(Cl)c1CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000032836244 556418298 /nfs/dbraw/zinc/41/82/98/556418298.db2.gz KKJRDVNNGVPMBA-KRWDZBQOSA-N 0 0 436.002 4.085 50 0 IIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2C[C@H]1C ZINC000012969432 556418444 /nfs/dbraw/zinc/41/84/44/556418444.db2.gz LUSZGLKZRUGRMM-JLTOFOAXSA-N 0 0 441.578 4.120 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1 ZINC000032837534 556418797 /nfs/dbraw/zinc/41/87/97/556418797.db2.gz MMFKDPWJMCWQPK-QHCPKHFHSA-N 0 0 447.535 4.066 50 0 IIAARN COc1cc2nc(SCc3noc(C)n3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000032837616 556419051 /nfs/dbraw/zinc/41/90/51/556419051.db2.gz OJOQBDHRMDJAHL-UHFFFAOYSA-N 0 0 442.541 4.288 50 0 IIAARN CCCCc1noc([C@@H](C)Sc2nc3sc4c(c3c(=O)n2CCOC)CCC4)n1 ZINC000012971918 556419166 /nfs/dbraw/zinc/41/91/66/556419166.db2.gz RYJHDZFTGUETFI-GFCCVEGCSA-N 0 0 434.587 4.172 50 0 IIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc2c(c1)OCO2 ZINC000014484276 556419340 /nfs/dbraw/zinc/41/93/40/556419340.db2.gz PHBGREYASZHLCN-MRXNPFEDSA-N 0 0 436.533 4.471 50 0 IIAARN COc1ccc(-c2cc(NC(=O)CCc3nc4ccccc4c(=O)n3C)ccc2OC)cc1 ZINC000012976485 556421849 /nfs/dbraw/zinc/42/18/49/556421849.db2.gz VMWNWECHMDRYHY-UHFFFAOYSA-N 0 0 443.503 4.189 50 0 IIAARN O=S(=O)(c1ccccc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012985160 556426100 /nfs/dbraw/zinc/42/61/00/556426100.db2.gz WNSNVUQJEPBHFL-INIZCTEOSA-N 0 0 438.343 4.136 50 0 IIAARN COc1ccccc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012984868 556426178 /nfs/dbraw/zinc/42/61/78/556426178.db2.gz VGTCDVTTZBNWHT-SANMLTNESA-N 0 0 432.520 4.299 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(OC)c1 ZINC000032843417 556428418 /nfs/dbraw/zinc/42/84/18/556428418.db2.gz QTXBXIWERISMLF-AVRDEDQJSA-N 0 0 440.515 4.059 50 0 IIAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)sc2cccc(F)c12 ZINC000012994837 556430270 /nfs/dbraw/zinc/43/02/70/556430270.db2.gz NOXAAHFERDBLGR-UHFFFAOYSA-N 0 0 445.947 4.399 50 0 IIAARN CC(C)(C)c1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000012995543 556430771 /nfs/dbraw/zinc/43/07/71/556430771.db2.gz NENRWEKYHKGLJH-UHFFFAOYSA-N 0 0 442.003 4.353 50 0 IIAARN O=C(Cn1c2ccccc2nc1-c1ccccc1Cl)NC[C@H]1COc2ccccc2O1 ZINC000014672660 556431732 /nfs/dbraw/zinc/43/17/32/556431732.db2.gz NWLHOWQYVPLLQE-INIZCTEOSA-N 0 0 433.895 4.313 50 0 IIAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1Cl ZINC000012998138 556432147 /nfs/dbraw/zinc/43/21/47/556432147.db2.gz ABNZPBSNYWZCPR-UHFFFAOYSA-N 0 0 426.925 4.414 50 0 IIAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000027814008 556433331 /nfs/dbraw/zinc/43/33/31/556433331.db2.gz QVDGFVUEQGXJNF-FQEVSTJZSA-N 0 0 443.528 4.445 50 0 IIAARN c1ccc(CO[C@H]2[C@@H]3OC4(CCCCC4)O[C@H]3O[C@H]2[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000229998892 556434131 /nfs/dbraw/zinc/43/41/31/556434131.db2.gz OAEPJJXLQXXGMV-USWKJHDZSA-N 0 0 430.541 4.448 50 0 biogenic IIAARN COc1ccc(-c2cc3ccc(OC(=O)c4ccc5c(c4)OCO5)cc3oc2=O)cc1OC ZINC000011025546 556434628 /nfs/dbraw/zinc/43/46/28/556434628.db2.gz ZECHLNFSGMXAAD-UHFFFAOYSA-N 0 0 446.411 4.425 50 0 biogenic IIAARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000027971634 556436759 /nfs/dbraw/zinc/43/67/59/556436759.db2.gz MTVJTCPJLAUDTE-UHFFFAOYSA-N 0 0 449.981 4.447 50 0 IIAARN CCCCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1[C@H](CC)N(C)C ZINC000032691559 556441080 /nfs/dbraw/zinc/44/10/80/556441080.db2.gz WLSCFRLQHWHZTN-INIZCTEOSA-N 0 0 441.548 4.423 50 0 IIAARN Cc1cccc(OCCOC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1 ZINC000013027965 556441223 /nfs/dbraw/zinc/44/12/23/556441223.db2.gz MVNOODHZUCAEOB-UHFFFAOYSA-N 0 0 432.398 4.104 50 0 IIAARN Cc1ccc(S(=O)(=O)NCCSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000013028354 556441269 /nfs/dbraw/zinc/44/12/69/556441269.db2.gz OSDUJQFEZNUFSY-UHFFFAOYSA-N 0 0 446.598 4.422 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCN(Cc2cccs2)CC1 ZINC000027999226 556441367 /nfs/dbraw/zinc/44/13/67/556441367.db2.gz ISFRWXBOLCDZTC-UHFFFAOYSA-N 0 0 435.553 4.292 50 0 IIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000013029824 556441872 /nfs/dbraw/zinc/44/18/72/556441872.db2.gz RNEPTZSTYVGPAM-UHFFFAOYSA-N 0 0 440.503 4.368 50 0 IIAARN Cc1ccc2c(CC(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@@H]3CCCO3)coc2c1C ZINC000013037754 556443264 /nfs/dbraw/zinc/44/32/64/556443264.db2.gz ICBKMVHWMKGDEP-IBGZPJMESA-N 0 0 445.519 4.036 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)cc1 ZINC000013038018 556443555 /nfs/dbraw/zinc/44/35/55/556443555.db2.gz XABCZQLSPUYTDO-SFHVURJKSA-N 0 0 446.613 4.032 50 0 IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000028088856 556443682 /nfs/dbraw/zinc/44/36/82/556443682.db2.gz QAHXJWWFKGODDP-NSHDSACASA-N 0 0 436.522 4.288 50 0 IIAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)s1 ZINC000014757286 556445137 /nfs/dbraw/zinc/44/51/37/556445137.db2.gz YBYQPGNZQUNCGM-CYBMUJFWSA-N 0 0 432.575 4.150 50 0 IIAARN CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000013059498 556450087 /nfs/dbraw/zinc/45/00/87/556450087.db2.gz OBUGWQWVXYINRK-QFBILLFUSA-N 0 0 430.570 4.367 50 0 IIAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000032865996 556451297 /nfs/dbraw/zinc/45/12/97/556451297.db2.gz NUEWVOMNBWRNNX-MRXNPFEDSA-N 0 0 432.549 4.307 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2Cl)cc1 ZINC000013063261 556451693 /nfs/dbraw/zinc/45/16/93/556451693.db2.gz ZZBCUDWAILZTIN-UHFFFAOYSA-N 0 0 434.989 4.242 50 0 IIAARN CSCCNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000014888250 556455839 /nfs/dbraw/zinc/45/58/39/556455839.db2.gz CBIFAHJAZYIQEY-UHFFFAOYSA-N 0 0 425.583 4.228 50 0 IIAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000013095266 556456298 /nfs/dbraw/zinc/45/62/98/556456298.db2.gz HNGWYNHVYAXMFO-QFIPXVFZSA-N 0 0 436.533 4.063 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4cccnc4)C4CC4)cc3C2=O)c1 ZINC000028515255 556456383 /nfs/dbraw/zinc/45/63/83/556456383.db2.gz MYRXACBWHVQJLO-UHFFFAOYSA-N 0 0 425.488 4.304 50 0 IIAARN CC[C@@H](NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(Cl)cc1 ZINC000014900292 556456535 /nfs/dbraw/zinc/45/65/35/556456535.db2.gz BKFYGLXDIXRESV-OAHLLOKOSA-N 0 0 425.842 4.223 50 0 IIAARN COc1ccc(OC[C@@H](O)CN(C(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000028580902 556456747 /nfs/dbraw/zinc/45/67/47/556456747.db2.gz KVBSMHDRTAXYLD-FQEVSTJZSA-N 0 0 441.911 4.444 50 0 IIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1=O ZINC000013097061 556457618 /nfs/dbraw/zinc/45/76/18/556457618.db2.gz IFJNWFGMNAETMG-UHFFFAOYSA-N 0 0 439.427 4.203 50 0 IIAARN O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000013097450 556458218 /nfs/dbraw/zinc/45/82/18/556458218.db2.gz NOIFIVAURUOJRC-UHFFFAOYSA-N 0 0 447.727 4.024 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000013102702 556461332 /nfs/dbraw/zinc/46/13/32/556461332.db2.gz UEFPADBZOPWPPV-UHFFFAOYSA-N 0 0 430.504 4.155 50 0 IIAARN O=C(CCc1cccnc1)N1CCC(NC(=O)[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000028818629 556461778 /nfs/dbraw/zinc/46/17/78/556461778.db2.gz RMFOYNMWESQGBZ-SANMLTNESA-N 0 0 433.596 4.486 50 0 in-vitro IIAARN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc(Br)c1 ZINC000072280556 556461800 /nfs/dbraw/zinc/46/18/00/556461800.db2.gz DSHHEKBTNDXVDT-UHFFFAOYSA-N 0 0 448.630 4.486 50 0 IIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ncccc21 ZINC000013109823 556463646 /nfs/dbraw/zinc/46/36/46/556463646.db2.gz MVLSQYOUCSVHHX-UHFFFAOYSA-N 0 0 431.517 4.064 50 0 IIAARN CCCc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)[nH]1 ZINC000029071075 556466614 /nfs/dbraw/zinc/46/66/14/556466614.db2.gz CXXOQPBZTVXLMY-UHFFFAOYSA-N 0 0 439.541 4.139 50 0 IIAARN COc1ccccc1CCC(=O)N1CCC(n2c3ncccc3nc2[C@H]2CCCO2)CC1 ZINC000014970344 556466753 /nfs/dbraw/zinc/46/67/53/556466753.db2.gz OCDJZWVIDVAMRR-JOCHJYFZSA-N 0 0 434.540 4.088 50 0 IIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000013115268 556467889 /nfs/dbraw/zinc/46/78/89/556467889.db2.gz FXDHKWGKGOLIHB-MRXNPFEDSA-N 0 0 441.491 4.068 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)s2)cs1 ZINC000013118036 556471434 /nfs/dbraw/zinc/47/14/34/556471434.db2.gz OJJWTTCFXSTEHL-UHFFFAOYSA-N 0 0 440.525 4.103 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1COc3ccccc3O1)CC2 ZINC000013120048 556472016 /nfs/dbraw/zinc/47/20/16/556472016.db2.gz ZNZPAIGZFMFJBH-FYYLOGMGSA-N 0 0 437.517 4.079 50 0 IIAARN CN(Cc1ccc(Cl)s1)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000013120930 556473240 /nfs/dbraw/zinc/47/32/40/556473240.db2.gz SCUZBELYGQDEST-QHCPKHFHSA-N 0 0 439.968 4.481 50 0 IIAARN O=C(CSc1ncnc2sccc21)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013120904 556473250 /nfs/dbraw/zinc/47/32/50/556473250.db2.gz CSNQTHVAZRAEMN-UHFFFAOYSA-N 0 0 434.546 4.352 50 0 IIAARN CN(Cc1nccs1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccccn3)C2)cc1 ZINC000014988734 556473734 /nfs/dbraw/zinc/47/37/34/556473734.db2.gz NVVPHIWVAOYVCD-FQEVSTJZSA-N 0 0 436.581 4.101 50 0 IIAARN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013121475 556474134 /nfs/dbraw/zinc/47/41/34/556474134.db2.gz YLOHUOOCHDPEQV-PXAZEXFGSA-N 0 0 442.932 4.113 50 0 IIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)cc1 ZINC000013122227 556474431 /nfs/dbraw/zinc/47/44/31/556474431.db2.gz AMIQXYFTCDSGCL-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000072284289 556476005 /nfs/dbraw/zinc/47/60/05/556476005.db2.gz RLJGIWOSHYQZLH-UHFFFAOYSA-N 0 0 436.478 4.426 50 0 IIAARN Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000013127796 556476410 /nfs/dbraw/zinc/47/64/10/556476410.db2.gz ORZGPAARVDKZKY-HXUWFJFHSA-N 0 0 439.541 4.169 50 0 IIAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1Cc1cccnc1 ZINC000029619602 556479059 /nfs/dbraw/zinc/47/90/59/556479059.db2.gz PIWJDGWJJFZOMN-UHFFFAOYSA-N 0 0 427.489 4.182 50 0 IIAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000029694375 556480037 /nfs/dbraw/zinc/48/00/37/556480037.db2.gz MBDVMQVQQONUJY-JOCHJYFZSA-N 0 0 427.907 4.139 50 0 IIAARN O=C(Cn1ncc(=O)c2ccccc21)O[C@@H](c1ccccc1)c1ccccc1Br ZINC000072287747 556480156 /nfs/dbraw/zinc/48/01/56/556480156.db2.gz UBAUTFXIRDFASS-QHCPKHFHSA-N 0 0 449.304 4.492 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 ZINC000029775086 556482152 /nfs/dbraw/zinc/48/21/52/556482152.db2.gz TUCOVZYCMGMQDG-HXUWFJFHSA-N 0 0 446.619 4.148 50 0 IIAARN O=C(/C=C/c1cccs1)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 ZINC000015008564 556482532 /nfs/dbraw/zinc/48/25/32/556482532.db2.gz ZGSFMPGCZHUGNZ-CMDGGOBGSA-N 0 0 447.589 4.405 50 0 IIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 ZINC000029781087 556482510 /nfs/dbraw/zinc/48/25/10/556482510.db2.gz YJMWJPMUWGIRJN-UNMCSNQZSA-N 0 0 425.536 4.123 50 0 IIAARN COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000013137735 556484376 /nfs/dbraw/zinc/48/43/76/556484376.db2.gz IJNFWLWYYJNKON-UHFFFAOYSA-N 0 0 443.838 4.074 50 0 IIAARN Cc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@@H](COCC(C)C)OC3=O)C(=O)O2)cs1 ZINC000013141182 556486353 /nfs/dbraw/zinc/48/63/53/556486353.db2.gz BJQVQKRYZUYLGC-IRBZQWRBSA-N 0 0 444.553 4.332 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1OC ZINC000013141052 556486375 /nfs/dbraw/zinc/48/63/75/556486375.db2.gz XWPMFEIKPHJIJL-UHFFFAOYSA-N 0 0 442.512 4.297 50 0 IIAARN COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013145320 556487565 /nfs/dbraw/zinc/48/75/65/556487565.db2.gz VHBDDGFRXYOPLO-UHFFFAOYSA-N 0 0 430.913 4.079 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013146502 556488740 /nfs/dbraw/zinc/48/87/40/556488740.db2.gz UTKXZJKQAXYAAL-UHFFFAOYSA-N 0 0 437.477 4.500 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000030030685 556489999 /nfs/dbraw/zinc/48/99/99/556489999.db2.gz SMKMGMQYVURRCE-HXUWFJFHSA-N 0 0 425.529 4.299 50 0 IIAARN CCn1ccnc1CN1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000015063241 556491074 /nfs/dbraw/zinc/49/10/74/556491074.db2.gz IDBCARKOKNJBOJ-UHFFFAOYSA-N 0 0 430.980 4.272 50 0 IIAARN Cc1nonc1[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015064202 556491755 /nfs/dbraw/zinc/49/17/55/556491755.db2.gz UEYAXQUWTJFIRA-HXUWFJFHSA-N 0 0 429.480 4.297 50 0 IIAARN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1c(F)cccc1F ZINC000015068503 556494105 /nfs/dbraw/zinc/49/41/05/556494105.db2.gz FIUWPLLASVJZAS-XOBRGWDASA-N 0 0 430.524 4.101 50 0 IIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cs1 ZINC000030507150 556495738 /nfs/dbraw/zinc/49/57/38/556495738.db2.gz DERZDCRNCLVXSN-UHFFFAOYSA-N 0 0 436.924 4.071 50 0 IIAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1)c1ccccc1 ZINC000013165047 556497700 /nfs/dbraw/zinc/49/77/00/556497700.db2.gz AUAUXXOMCMTYGN-GOSISDBHSA-N 0 0 447.560 4.180 50 0 IIAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 ZINC000013165123 556497987 /nfs/dbraw/zinc/49/79/87/556497987.db2.gz CIGNNTIAKNBTEB-UHFFFAOYSA-N 0 0 449.532 4.338 50 0 IIAARN COc1ccc(Cn2nnnc2S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000013165262 556498352 /nfs/dbraw/zinc/49/83/52/556498352.db2.gz VEGRXYWJJDDZII-NRFANRHFSA-N 0 0 449.511 4.341 50 0 IIAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000072292936 556502672 /nfs/dbraw/zinc/50/26/72/556502672.db2.gz NCSWILUYWAHAPB-UHFFFAOYSA-N 0 0 442.350 4.471 50 0 IIAARN Cc1ccc(NC(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000004554328 556502895 /nfs/dbraw/zinc/50/28/95/556502895.db2.gz XWKDNUTXCHRUGD-NRFANRHFSA-N 0 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556512164 /nfs/dbraw/zinc/51/21/64/556512164.db2.gz IAHAPTHQANSBOZ-UHFFFAOYSA-N 0 0 444.520 4.033 50 0 IIAARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000030893815 556514648 /nfs/dbraw/zinc/51/46/48/556514648.db2.gz ULMQANXTUAUOKW-UHFFFAOYSA-N 0 0 430.913 4.305 50 0 IIAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000030893181 556514726 /nfs/dbraw/zinc/51/47/26/556514726.db2.gz ANTVXYBZKXVZBW-UHFFFAOYSA-N 0 0 446.532 4.081 50 0 IIAARN Cc1nnc(SCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)n1Cc1ccccc1 ZINC000032897037 556515905 /nfs/dbraw/zinc/51/59/05/556515905.db2.gz KRTSJQPLCUQDRN-UHFFFAOYSA-N 0 0 434.487 4.404 50 0 IIAARN COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013557359 556517250 /nfs/dbraw/zinc/51/72/50/556517250.db2.gz DSHCZFFIPNPYOW-UHFFFAOYSA-N 0 0 438.480 4.071 50 0 IIAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@@H]3CCCN23)cc1 ZINC000013557103 556517254 /nfs/dbraw/zinc/51/72/54/556517254.db2.gz UZPHINACJLIIRP-MMTROXRISA-N 0 0 443.330 4.137 50 0 IIAARN CC1(C)OC(c2cccc(NS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)OC1(C)C ZINC000030947879 556517634 /nfs/dbraw/zinc/51/76/34/556517634.db2.gz VJWWFNIRYJUKJQ-HJPURHCSSA-N 0 0 435.586 4.426 50 0 IIAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000032892997 556520426 /nfs/dbraw/zinc/52/04/26/556520426.db2.gz ZFTWXAFXFMTBOG-IWJYVYHMSA-N 0 0 438.612 4.455 50 0 IIAARN O=C(CCC(=O)c1cccs1)NCCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011075693 556520480 /nfs/dbraw/zinc/52/04/80/556520480.db2.gz MSTYAOKAEYLONZ-UHFFFAOYSA-N 0 0 435.549 4.015 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000032893186 556520725 /nfs/dbraw/zinc/52/07/25/556520725.db2.gz XEVBRNNZODAGME-UHFFFAOYSA-N 0 0 428.492 4.193 50 0 IIAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nc2ncccc2c1=O ZINC000032893437 556521039 /nfs/dbraw/zinc/52/10/39/556521039.db2.gz NHCIQYMRGKKTHD-AWEZNQCLSA-N 0 0 430.961 4.070 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)Cc2ccccc2Cl)s1 ZINC000013569291 556521577 /nfs/dbraw/zinc/52/15/77/556521577.db2.gz MBXRAYDTMLNXFM-UHFFFAOYSA-N 0 0 442.349 4.000 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000072297911 556522881 /nfs/dbraw/zinc/52/28/81/556522881.db2.gz ZNFLAUGMTAWOEV-UHFFFAOYSA-N 0 0 427.464 4.044 50 0 IIAARN COc1ccc2c(C)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1OC ZINC000013572566 556523194 /nfs/dbraw/zinc/52/31/94/556523194.db2.gz VADNYMVPWBMBOA-UHFFFAOYSA-N 0 0 437.370 4.198 50 0 IIAARN Cc1nc2cc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3)ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000072301456 556524692 /nfs/dbraw/zinc/52/46/92/556524692.db2.gz UDTLPUSDZVMDHK-AUUYWEPGSA-N 0 0 445.972 4.191 50 0 IIAARN O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)Nc1cccc2nonc21 ZINC000013574941 556525041 /nfs/dbraw/zinc/52/50/41/556525041.db2.gz PFNVHAVIBOXPOQ-ZTJWTMSASA-N 0 0 440.868 4.021 50 0 IIAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000015441253 556528492 /nfs/dbraw/zinc/52/84/92/556528492.db2.gz JCMHQFUPKDZPQT-UHFFFAOYSA-N 0 0 426.516 4.307 50 0 IIAARN CC(=O)c1cnn(-c2cc(Oc3ccc(S(=O)(=O)c4ccccc4)cc3)nc(C)n2)c1C ZINC000013591357 556529410 /nfs/dbraw/zinc/52/94/10/556529410.db2.gz YYQGIDVETUVNNM-UHFFFAOYSA-N 0 0 448.504 4.107 50 0 IIAARN COc1ccc(C(=O)[C@H]2C(c3ccc(C)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000013607094 556532997 /nfs/dbraw/zinc/53/29/97/556532997.db2.gz XDUPUFKYPGSBDW-GJZUVCINSA-N 0 0 442.471 4.093 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000011083645 556533425 /nfs/dbraw/zinc/53/34/25/556533425.db2.gz IOSGRDNWQOPAEC-UHFFFAOYSA-N 0 0 442.548 4.063 50 0 IIAARN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2csc(C)n2)c(OC)c1 ZINC000032900911 556535001 /nfs/dbraw/zinc/53/50/01/556535001.db2.gz JYZZOMLBMYQYPQ-JOCHJYFZSA-N 0 0 439.537 4.252 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000015610180 556538072 /nfs/dbraw/zinc/53/80/72/556538072.db2.gz TTYDGCHSWMLRDL-GOSISDBHSA-N 0 0 443.297 4.123 50 0 IIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000015618333 556538718 /nfs/dbraw/zinc/53/87/18/556538718.db2.gz XPMCYSDKNLAJGP-IAGOWNOFSA-N 0 0 446.544 4.379 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1 ZINC000013629640 556538836 /nfs/dbraw/zinc/53/88/36/556538836.db2.gz RJWPRHKSMPWVGK-CXAGYDPISA-N 0 0 436.390 4.406 50 0 IIAARN COc1cccc(-c2cc(C(F)(F)F)nc(N3NC(C4CC4)=C[C@@]3(O)C(F)(F)F)n2)c1 ZINC000013642953 556542860 /nfs/dbraw/zinc/54/28/60/556542860.db2.gz OXBSWWOEABBPSY-QGZVFWFLSA-N 0 0 446.351 4.398 50 0 IIAARN CCOc1ccc(NC(=O)CSc2ccccc2C)cc1S(=O)(=O)N(CC)CC ZINC000015697920 556543963 /nfs/dbraw/zinc/54/39/63/556543963.db2.gz DXLRCQJPTKESKH-UHFFFAOYSA-N 0 0 436.599 4.155 50 0 IIAARN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032905003 556544595 /nfs/dbraw/zinc/54/45/95/556544595.db2.gz PJEJBMXFMWVTTP-SFHVURJKSA-N 0 0 438.480 4.318 50 0 IIAARN O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)c1ccccc1OCc1ccc(F)cc1 ZINC000072303115 556546959 /nfs/dbraw/zinc/54/69/59/556546959.db2.gz AXKUDLBGKFQFEG-KRWDZBQOSA-N 0 0 429.438 4.264 50 0 IIAARN Cc1nc(-c2cccc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)c2)cs1 ZINC000015765854 556549199 /nfs/dbraw/zinc/54/91/99/556549199.db2.gz FFVDDLXLFSYRLA-UHFFFAOYSA-N 0 0 435.530 4.419 50 0 IIAARN CCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cc(Cl)ccc3OC)cc12 ZINC000015780255 556551485 /nfs/dbraw/zinc/55/14/85/556551485.db2.gz FHVMMOVRSNHKDY-UHFFFAOYSA-N 0 0 444.871 4.254 50 0 IIAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032906602 556553388 /nfs/dbraw/zinc/55/33/88/556553388.db2.gz PFLZYWAQXSFRAJ-SFHVURJKSA-N 0 0 438.491 4.195 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=Cc2cc(Cl)cc(OC)c2OC=C1 ZINC000015838692 556555958 /nfs/dbraw/zinc/55/59/58/556555958.db2.gz YOFXDPLFJALTET-UHFFFAOYSA-N 0 0 445.855 4.081 50 0 IIAARN Cc1c(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000033258105 556557368 /nfs/dbraw/zinc/55/73/68/556557368.db2.gz ONJOVWVERKBEEF-IBGZPJMESA-N 0 0 430.483 4.444 50 0 IIAARN O=C(Nc1nc(-c2ccc(I)o2)ns1)c1ccc(Cl)cc1 ZINC000015859957 556558522 /nfs/dbraw/zinc/55/85/22/556558522.db2.gz RNHLERMXAIHLSE-UHFFFAOYSA-N 0 0 431.642 4.308 50 0 IIAARN Cc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)c1 ZINC000033274607 556558679 /nfs/dbraw/zinc/55/86/79/556558679.db2.gz YGHVHNRVABDXTI-UHFFFAOYSA-N 0 0 434.561 4.186 50 0 IIAARN CN(C(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1)C1CCCCC1 ZINC000015879138 556560493 /nfs/dbraw/zinc/56/04/93/556560493.db2.gz QKDVFTVASYCVMV-UHFFFAOYSA-N 0 0 443.613 4.111 50 0 IIAARN COc1ccc(-c2nc3s/c(=C/c4cccc(Oc5ccccc5)c4)c(=O)n3n2)cc1 ZINC000033383859 556563276 /nfs/dbraw/zinc/56/32/76/556563276.db2.gz IXIIAFJVVQBVGS-RCCKNPSSSA-N 0 0 427.485 4.167 50 0 IIAARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC(=O)NCCc3c[nH]c4ccccc34)n2)c1 ZINC000072308652 556565534 /nfs/dbraw/zinc/56/55/34/556565534.db2.gz GCCFHKMZPFGRCL-XMMPIXPASA-N 0 0 427.552 4.362 50 0 IIAARN Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc2)cc1C ZINC000015945948 556567094 /nfs/dbraw/zinc/56/70/94/556567094.db2.gz PTUCGQYRBUSECM-UHFFFAOYSA-N 0 0 430.476 4.416 50 0 IIAARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000000864356 556573423 /nfs/dbraw/zinc/57/34/23/556573423.db2.gz HVCIWYMUPLHVAR-HXUWFJFHSA-N 0 0 439.874 4.344 50 0 IIAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001134449 556574185 /nfs/dbraw/zinc/57/41/85/556574185.db2.gz XPSNQBPWVLTZBI-UHFFFAOYSA-N 0 0 445.412 4.401 50 0 IIAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000023550039 556579771 /nfs/dbraw/zinc/57/97/71/556579771.db2.gz WUQWHTANBXFKFN-XXBNENTESA-N 0 0 433.508 4.264 50 0 IIAARN CCOc1ccc2nc(NC(=O)CSc3nnc(Cc4csc(C)n4)o3)sc2c1 ZINC000016097477 556582716 /nfs/dbraw/zinc/58/27/16/556582716.db2.gz JQSDVYZPMZKVCI-UHFFFAOYSA-N 0 0 447.567 4.165 50 0 IIAARN O=S(=O)(Nc1ccccc1I)c1ccc(C(F)(F)F)cc1 ZINC000016101406 556582959 /nfs/dbraw/zinc/58/29/59/556582959.db2.gz WIFKXHPJPOQZPT-UHFFFAOYSA-N 0 0 427.185 4.111 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2C(C)C)cc1 ZINC000032910645 556583570 /nfs/dbraw/zinc/58/35/70/556583570.db2.gz NLCVBOVJNCKUQC-OAHLLOKOSA-N 0 0 445.589 4.174 50 0 IIAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000016156498 556586062 /nfs/dbraw/zinc/58/60/62/556586062.db2.gz QZWKPSTYAOEVPC-UHFFFAOYSA-N 0 0 446.878 4.177 50 0 IIAARN CS(=O)(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000032913161 556587437 /nfs/dbraw/zinc/58/74/37/556587437.db2.gz YTNYFIKGYRPQHJ-UHFFFAOYSA-N 0 0 436.942 4.179 50 0 IIAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000016226997 556593081 /nfs/dbraw/zinc/59/30/81/556593081.db2.gz DGJVPPTZHCOCAA-UHFFFAOYSA-N 0 0 445.269 4.321 50 0 IIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000016237859 556593719 /nfs/dbraw/zinc/59/37/19/556593719.db2.gz CMWGDVWGNCVKQH-UHFFFAOYSA-N 0 0 445.338 4.475 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000016293400 556598411 /nfs/dbraw/zinc/59/84/11/556598411.db2.gz NYIVUSNNMCOXPJ-UHFFFAOYSA-N 0 0 443.547 4.283 50 0 IIAARN O=C(NC[C@H]1CCCO1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000036646351 556599651 /nfs/dbraw/zinc/59/96/51/556599651.db2.gz KTIAVNZHUAAPBE-QGZVFWFLSA-N 0 0 430.426 4.186 50 0 IIAARN O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000032975589 556600123 /nfs/dbraw/zinc/60/01/23/556600123.db2.gz UAXFVBAFDVDKDG-DEOSSOPVSA-N 0 0 426.516 4.222 50 0 IIAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975642 556600158 /nfs/dbraw/zinc/60/01/58/556600158.db2.gz KRBLAOIVXKIAPS-WOJBJXKFSA-N 0 0 440.565 4.088 50 0 IIAARN Cc1cccc2sc(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21 ZINC000037133286 556601035 /nfs/dbraw/zinc/60/10/35/556601035.db2.gz FUDQURRGKWGIAG-UHFFFAOYSA-N 0 0 434.487 4.384 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339401 556601097 /nfs/dbraw/zinc/60/10/97/556601097.db2.gz KAIXMRUPEHZDHM-LJQANCHMSA-N 0 0 445.357 4.016 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1I ZINC000016347725 556601839 /nfs/dbraw/zinc/60/18/39/556601839.db2.gz BVRFMLJSFLXUQS-UHFFFAOYSA-N 0 0 437.686 4.062 50 0 IIAARN O=C1NC2(CCCCCCC2)C(=O)N1CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000016358608 556602261 /nfs/dbraw/zinc/60/22/61/556602261.db2.gz DRNFWQGNYKLLML-QGZVFWFLSA-N 0 0 426.586 4.468 50 0 IIAARN CC[C@@H](C)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000016361063 556602280 /nfs/dbraw/zinc/60/22/80/556602280.db2.gz IWSZEKGCIAUHBB-MRXNPFEDSA-N 0 0 433.599 4.030 50 0 IIAARN CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(Br)cc1 ZINC000016361642 556602630 /nfs/dbraw/zinc/60/26/30/556602630.db2.gz IKOLZEHSSZAOBI-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1C[C@H]1CCCCO1 ZINC000037543690 556604829 /nfs/dbraw/zinc/60/48/29/556604829.db2.gz RTQMZAOEYVAHNE-CQSZACIVSA-N 0 0 434.359 4.359 50 0 IIAARN Cc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000032987124 556606901 /nfs/dbraw/zinc/60/69/01/556606901.db2.gz LJNQOWFLXLZMNM-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000016446475 556607689 /nfs/dbraw/zinc/60/76/89/556607689.db2.gz VIULQMBZPBNPFF-ABJVRVDCSA-N 0 0 427.595 4.265 50 0 IIAARN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCCO2 ZINC000016448439 556608698 /nfs/dbraw/zinc/60/86/98/556608698.db2.gz XCURJPRLYSVTJV-UHFFFAOYSA-N 0 0 431.926 4.362 50 0 IIAARN Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000032988662 556609036 /nfs/dbraw/zinc/60/90/36/556609036.db2.gz FJVISGOKLSJFCA-QGZVFWFLSA-N 0 0 426.567 4.190 50 0 IIAARN COc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000016474788 556610177 /nfs/dbraw/zinc/61/01/77/556610177.db2.gz RYKYHHIHZBBNMA-GOSISDBHSA-N 0 0 432.929 4.051 50 0 IIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCCc1ccccc1 ZINC000032995411 556611178 /nfs/dbraw/zinc/61/11/78/556611178.db2.gz RPTXBHOFJBMZIA-UHFFFAOYSA-N 0 0 426.517 4.001 50 0 IIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSC(=S)N(CC)CC ZINC000016484922 556611704 /nfs/dbraw/zinc/61/17/04/556611704.db2.gz QYUXCKZFWULZHO-UHFFFAOYSA-N 0 0 426.585 4.483 50 0 IIAARN Cc1ccc(-c2nn3c(nc(CNC(=O)Nc4cccc(Cl)c4)cc3=O)s2)cc1 ZINC000032996000 556611707 /nfs/dbraw/zinc/61/17/07/556611707.db2.gz NZEPPJKOTPTKEK-UHFFFAOYSA-N 0 0 425.901 4.102 50 0 IIAARN S=c1n(CN2CCOCC2)nc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000016523718 556613789 /nfs/dbraw/zinc/61/37/89/556613789.db2.gz INKOLSSCBPNWJM-UHFFFAOYSA-N 0 0 431.359 4.122 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4cccc(OC)c4)c(=O)c4ccccc43)n2)cc1 ZINC000038655169 556615274 /nfs/dbraw/zinc/61/52/74/556615274.db2.gz UETKUIZFPFHQKB-UHFFFAOYSA-N 0 0 426.432 4.120 50 0 IIAARN COc1cccc(NC(=O)CN(C)[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)c1 ZINC000016622977 556618328 /nfs/dbraw/zinc/61/83/28/556618328.db2.gz FSHHFSIRONLEBJ-VWLOTQADSA-N 0 0 445.519 4.148 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)ccc1C ZINC000016647715 556620027 /nfs/dbraw/zinc/62/00/27/556620027.db2.gz DBZPOEQJMNUHIL-GOSISDBHSA-N 0 0 432.524 4.384 50 0 IIAARN CC[C@H](C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036252129 556622294 /nfs/dbraw/zinc/62/22/94/556622294.db2.gz OZBNJFSFKBWMHM-YWZLYKJASA-N 0 0 440.415 4.225 50 0 IIAARN Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3sccc3C(N)=O)c3ccccc3n2)o1 ZINC000016722508 556630626 /nfs/dbraw/zinc/63/06/26/556630626.db2.gz IUQWQOMWVVOKKR-ZDUSSCGKSA-N 0 0 449.488 4.148 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3coc4cc5c(cc34)CCC5)n2)o1 ZINC000016724127 556631055 /nfs/dbraw/zinc/63/10/55/556631055.db2.gz LFDSYRAABQARAU-UHFFFAOYSA-N 0 0 435.505 4.455 50 0 IIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1C ZINC000016733724 556632489 /nfs/dbraw/zinc/63/24/89/556632489.db2.gz FPWDFNWLBLZRLC-MBOZVWFJSA-N 0 0 444.597 4.376 50 0 IIAARN COCCNC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384034 556633713 /nfs/dbraw/zinc/63/37/13/556633713.db2.gz COFMBAMSWMWGEA-UHFFFAOYSA-N 0 0 444.535 4.092 50 0 IIAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000040216890 556633958 /nfs/dbraw/zinc/63/39/58/556633958.db2.gz OXVBKVDHWVDQBL-UHFFFAOYSA-N 0 0 427.556 4.055 50 0 IIAARN CCc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005119326 556636982 /nfs/dbraw/zinc/63/69/82/556636982.db2.gz JSMUASGPSSCZJD-JOCHJYFZSA-N 0 0 429.582 4.113 50 0 IIAARN COCc1nn2c(ncc3c2ccn(CCc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397094 556639432 /nfs/dbraw/zinc/63/94/32/556639432.db2.gz KXURYZANQHPZKE-UHFFFAOYSA-N 0 0 428.467 4.239 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000409415022 556641674 /nfs/dbraw/zinc/64/16/74/556641674.db2.gz RKNUQMXTFRAWBQ-JOCHJYFZSA-N 0 0 438.524 4.047 50 0 IIAARN CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000032922321 556645062 /nfs/dbraw/zinc/64/50/62/556645062.db2.gz JIIVXCJSKWDZDF-KRWDZBQOSA-N 0 0 442.821 4.108 50 0 IIAARN O=C(c1ccc(F)cc1)N(C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1)C1CCCC1 ZINC000037609535 556645892 /nfs/dbraw/zinc/64/58/92/556645892.db2.gz HBYDUFVIWDGAEJ-HXUWFJFHSA-N 0 0 444.934 4.405 50 0 IIAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2 ZINC000037602558 556646704 /nfs/dbraw/zinc/64/67/04/556646704.db2.gz MOZTUOCOGFAROC-GAJHUEQPSA-N 0 0 426.532 4.248 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)c1 ZINC000011726581 556647388 /nfs/dbraw/zinc/64/73/88/556647388.db2.gz ZCMGWVAVWPXNJL-INIZCTEOSA-N 0 0 437.590 4.368 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@H](C)C3)cc1 ZINC000011726578 556647431 /nfs/dbraw/zinc/64/74/31/556647431.db2.gz DBAKXOFNSDQXCE-MRXNPFEDSA-N 0 0 437.590 4.368 50 0 IIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902980 556648848 /nfs/dbraw/zinc/64/88/48/556648848.db2.gz VYAGGHSMRAPDJO-UNMCSNQZSA-N 0 0 441.531 4.305 50 0 IIAARN O=C(NCCCn1nc(-c2ccccc2)ccc1=O)C1c2ccccc2Oc2ccccc21 ZINC000011738344 556649161 /nfs/dbraw/zinc/64/91/61/556649161.db2.gz LDOFXLFJPPMNFX-UHFFFAOYSA-N 0 0 437.499 4.354 50 0 IIAARN COc1ccc(-c2cc3c(SCC(=O)NCc4ccc(Cl)cc4)nccn3n2)cc1 ZINC000016954661 556650344 /nfs/dbraw/zinc/65/03/44/556650344.db2.gz HGXDCXJUHNYECM-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN COc1ccccc1CNC(=O)c1c(C)sc2ccn(Cc3ccc(F)cc3)c(=O)c21 ZINC000097939251 556652102 /nfs/dbraw/zinc/65/21/02/556652102.db2.gz SWCAGLJHGMWYFD-UHFFFAOYSA-N 0 0 436.508 4.497 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](c3ccccc3)CC2=O)c1 ZINC000011758441 556652722 /nfs/dbraw/zinc/65/27/22/556652722.db2.gz DOKADORYUPQZRM-HSZRJFAPSA-N 0 0 448.544 4.194 50 0 IIAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000011758616 556653422 /nfs/dbraw/zinc/65/34/22/556653422.db2.gz UCXHVLWIBKUKNZ-UHFFFAOYSA-N 0 0 448.405 4.099 50 0 IIAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(C)cc4)s3)c2C)cc1 ZINC000038654967 556653954 /nfs/dbraw/zinc/65/39/54/556653954.db2.gz UJRRKTWIHRELMO-UHFFFAOYSA-N 0 0 433.537 4.255 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1C ZINC000011764373 556654482 /nfs/dbraw/zinc/65/44/82/556654482.db2.gz XLBHGMFWDMDFJL-UHFFFAOYSA-N 0 0 438.553 4.075 50 0 IIAARN CCN(C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)c1cccc(C)c1 ZINC000033004651 556654701 /nfs/dbraw/zinc/65/47/01/556654701.db2.gz KVPUNTIDVPARLX-UHFFFAOYSA-N 0 0 443.525 4.216 50 0 IIAARN Cc1cc2nc(C)c(=O)n(CCC(=O)Nc3ccc(Br)c(C)c3)c2cc1C ZINC000033005559 556655016 /nfs/dbraw/zinc/65/50/16/556655016.db2.gz FJGBYXRTSDGOSB-UHFFFAOYSA-N 0 0 428.330 4.421 50 0 IIAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1=O ZINC000033005941 556655213 /nfs/dbraw/zinc/65/52/13/556655213.db2.gz FMKSRVVDKCRARN-UHFFFAOYSA-N 0 0 441.531 4.470 50 0 IIAARN O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)N1CCC(Cc2ccccc2)CC1 ZINC000011793776 556656335 /nfs/dbraw/zinc/65/63/35/556656335.db2.gz KFZUKRIIYKNSCD-UHFFFAOYSA-N 0 0 438.597 4.179 50 0 IIAARN COc1ccc(CCN2C(=S)N=NC2[C@@H](C)Oc2ccc3c(c2)CCC3)cc1OC ZINC000017094527 556657677 /nfs/dbraw/zinc/65/76/77/556657677.db2.gz PGJZEDCIVPDVPS-OAHLLOKOSA-N 0 0 425.554 4.455 50 0 IIAARN CCc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033011579 556659622 /nfs/dbraw/zinc/65/96/22/556659622.db2.gz XDJWTHYCTUITQQ-UHFFFAOYSA-N 0 0 446.985 4.415 50 0 IIAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(CC(C)C)s3)cc2)cc1 ZINC000033011340 556659757 /nfs/dbraw/zinc/65/97/57/556659757.db2.gz SSXXMXFKFLCMJB-UHFFFAOYSA-N 0 0 438.553 4.318 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccccc4)[C@H]3C2=O)cc1 ZINC000248076505 556661122 /nfs/dbraw/zinc/66/11/22/556661122.db2.gz BMQAUPASMPCXPU-ROHNOIKCSA-N 0 0 449.510 4.024 50 0 IIAARN CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000017097065 556661169 /nfs/dbraw/zinc/66/11/69/556661169.db2.gz MBIDBIZKGRKPIY-UHFFFAOYSA-N 0 0 430.555 4.068 50 0 IIAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033012257 556661236 /nfs/dbraw/zinc/66/12/36/556661236.db2.gz OOXGKXFBUPWMGP-UHFFFAOYSA-N 0 0 440.503 4.359 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCc2ccccc2)n1 ZINC000011855637 556662100 /nfs/dbraw/zinc/66/21/00/556662100.db2.gz AAQHGWKAWWHBHQ-UHFFFAOYSA-N 0 0 433.537 4.379 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000017097693 556662319 /nfs/dbraw/zinc/66/23/19/556662319.db2.gz DOIIOLYBRIYDRC-HDICACEKSA-N 0 0 431.627 4.167 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NCc3cccs3)cc2)cc1 ZINC000017098594 556663328 /nfs/dbraw/zinc/66/33/28/556663328.db2.gz PLHXIINKVKMPLD-UHFFFAOYSA-N 0 0 433.580 4.044 50 0 IIAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011865686 556665517 /nfs/dbraw/zinc/66/55/17/556665517.db2.gz NFVCMOMYUSWKPI-SFHVURJKSA-N 0 0 435.904 4.390 50 0 IIAARN CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 ZINC000017101388 556666080 /nfs/dbraw/zinc/66/60/80/556666080.db2.gz BHBIYBDSWCBWHG-BAWWGMJKSA-N 0 0 437.495 4.434 50 0 IIAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC000044166394 556666203 /nfs/dbraw/zinc/66/62/03/556666203.db2.gz NFVBOGCWJWPNCV-UHFFFAOYSA-N 0 0 430.551 4.397 50 0 IIAARN CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866918 556666993 /nfs/dbraw/zinc/66/69/93/556666993.db2.gz CYAGVRAVQLXTFP-DZTNWFRXSA-N 0 0 441.568 4.365 50 0 biogenic IIAARN COc1ccc(S(=O)(=O)Nc2ccccc2N(C)c2ccccc2)cc1NC(C)=O ZINC000032932357 556675718 /nfs/dbraw/zinc/67/57/18/556675718.db2.gz WMNJTLOCLONRQR-UHFFFAOYSA-N 0 0 425.510 4.222 50 0 IIAARN Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)s1 ZINC000032933276 556676600 /nfs/dbraw/zinc/67/66/00/556676600.db2.gz ZBILXFJZPKJGJU-CQSZACIVSA-N 0 0 426.460 4.421 50 0 IIAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000033325446 556679591 /nfs/dbraw/zinc/67/95/91/556679591.db2.gz QKJUIILKDHIIJA-AWEZNQCLSA-N 0 0 435.958 4.185 50 0 IIAARN CC(C)C[C@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017823166 556679600 /nfs/dbraw/zinc/67/96/00/556679600.db2.gz CUMDEUAPESQAAD-INSWNQOLSA-N 0 0 431.532 4.245 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011998536 556679700 /nfs/dbraw/zinc/67/97/00/556679700.db2.gz ANEUMHGHHRTKEM-QGZVFWFLSA-N 0 0 449.454 4.181 50 0 IIAARN Cc1ccccc1N(CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)S(C)(=O)=O ZINC000012016515 556681358 /nfs/dbraw/zinc/68/13/58/556681358.db2.gz WYLHKMZIJCEOLE-UHFFFAOYSA-N 0 0 449.985 4.100 50 0 IIAARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc1OCC ZINC000002142786 556686364 /nfs/dbraw/zinc/68/63/64/556686364.db2.gz SMSNXIJYHIUNRD-COOUDCDJSA-N 0 0 439.917 4.291 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000000781873 556693857 /nfs/dbraw/zinc/69/38/57/556693857.db2.gz YTMGFGDNIFDFJG-MHECFPHRSA-N 0 0 430.504 4.216 50 0 IIAARN Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000060195941 556712212 /nfs/dbraw/zinc/71/22/12/556712212.db2.gz XZNJSJYLSNOREF-UHFFFAOYSA-N 0 0 430.917 4.464 50 0 IIAARN Cc1c2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccc2oc1C(=O)c1ccccc1 ZINC000013729784 556721424 /nfs/dbraw/zinc/72/14/24/556721424.db2.gz LLUZTNXZSKVWQE-UHFFFAOYSA-N 0 0 437.455 4.321 50 0 IIAARN O=C(Nc1nc(-c2ccccn2)cs1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000061721061 556728488 /nfs/dbraw/zinc/72/84/88/556728488.db2.gz CZKXHWCYFFXKGH-UHFFFAOYSA-N 0 0 445.548 4.360 50 0 IIAARN Cc1sc(NC(=O)CCn2c3ccccc3n(C)c2=O)nc1-c1ccc(F)c(F)c1 ZINC000011148973 556731067 /nfs/dbraw/zinc/73/10/67/556731067.db2.gz MQUMRRHJDBLWMI-UHFFFAOYSA-N 0 0 428.464 4.079 50 0 IIAARN CNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 ZINC000019296779 556734457 /nfs/dbraw/zinc/73/44/57/556734457.db2.gz VTOZLVGBMCRREH-CQSZACIVSA-N 0 0 427.595 4.169 50 0 IIAARN CCS(=O)(=O)c1ncc(CN2CCC[C@H]2c2ccccn2)n1CCCc1ccccc1 ZINC000055100056 556734676 /nfs/dbraw/zinc/73/46/76/556734676.db2.gz OXCAKSIVBVJLKZ-QHCPKHFHSA-N 0 0 438.597 4.042 50 0 IIAARN Cn1cc(C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)c2ccccc21 ZINC000019332238 556737233 /nfs/dbraw/zinc/73/72/33/556737233.db2.gz IUHLXHHZKDZHAJ-UHFFFAOYSA-N 0 0 435.571 4.059 50 0 IIAARN CCCO[C@@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271194 556739379 /nfs/dbraw/zinc/73/93/79/556739379.db2.gz ZZIPWDVOBHCPBR-HSZRJFAPSA-N 0 0 448.611 4.348 50 0 IIAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2cccs2)ccc1=O ZINC000013798013 556741410 /nfs/dbraw/zinc/74/14/10/556741410.db2.gz WEJDRNILQWMWSL-UHFFFAOYSA-N 0 0 436.562 4.224 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)Nc1cc(F)ccc1Cl ZINC000057487059 556747785 /nfs/dbraw/zinc/74/77/85/556747785.db2.gz NPOLNKSXBANSDH-UHFFFAOYSA-N 0 0 440.818 4.365 50 0 IIAARN CCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1 ZINC000058062854 556756242 /nfs/dbraw/zinc/75/62/42/556756242.db2.gz PELDMBWQTGPPDG-UHFFFAOYSA-N 0 0 443.613 4.156 50 0 IIAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000011170857 556761078 /nfs/dbraw/zinc/76/10/78/556761078.db2.gz TZBRQADWSOJSIZ-QFIPXVFZSA-N 0 0 425.872 4.361 50 0 IIAARN CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000058147057 556761991 /nfs/dbraw/zinc/76/19/91/556761991.db2.gz JIBHMHOGIBJBHC-HSZRJFAPSA-N 0 0 448.897 4.235 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3n[nH]c4ccccc43)s2)c(C)c1 ZINC000058158866 556763466 /nfs/dbraw/zinc/76/34/66/556763466.db2.gz RLSAKPOMJUDFBV-UHFFFAOYSA-N 0 0 438.538 4.014 50 0 IIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NCCc1ccccc1)COC2=O ZINC000062001747 556764555 /nfs/dbraw/zinc/76/45/55/556764555.db2.gz QUMFJELHNQHXIL-LICLKQGHSA-N 0 0 437.536 4.311 50 0 biogenic IIAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000058162359 556765911 /nfs/dbraw/zinc/76/59/11/556765911.db2.gz IBELBZZGKYGHMI-UHFFFAOYSA-N 0 0 429.520 4.442 50 0 IIAARN NC(=O)c1c(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)sc2c1CCCC2 ZINC000058173841 556768860 /nfs/dbraw/zinc/76/88/60/556768860.db2.gz OOLQSZDGJNLICA-HXUWFJFHSA-N 0 0 425.579 4.105 50 0 IIAARN CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2Br)c2ccccc2O1 ZINC000058193883 556770223 /nfs/dbraw/zinc/77/02/23/556770223.db2.gz PAJDRJQUDOFVSL-LJQANCHMSA-N 0 0 449.320 4.301 50 0 IIAARN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1 ZINC000058180232 556770261 /nfs/dbraw/zinc/77/02/61/556770261.db2.gz NQVPYXWHNUWHOC-UHFFFAOYSA-N 0 0 433.580 4.072 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)c1 ZINC000058180253 556770274 /nfs/dbraw/zinc/77/02/74/556770274.db2.gz OIRJDDOXQRDVMJ-UHFFFAOYSA-N 0 0 434.564 4.499 50 0 IIAARN COc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000206598449 556770470 /nfs/dbraw/zinc/77/04/70/556770470.db2.gz SDPMUXSQMDGRKR-UHFFFAOYSA-N 0 0 441.509 4.326 50 0 IIAARN CCOc1cc(/C=C/C(=O)N[C@H](c2nnc3ccccn32)C(C)C)cc(Cl)c1OC ZINC000058245682 556775211 /nfs/dbraw/zinc/77/52/11/556775211.db2.gz CMAXKDHNHNVOJP-XTXLJPNXSA-N 0 0 428.920 4.317 50 0 IIAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000058327847 556780941 /nfs/dbraw/zinc/78/09/41/556780941.db2.gz NBJAUVSJTXIAPA-UHFFFAOYSA-N 0 0 441.487 4.149 50 0 IIAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058356183 556782361 /nfs/dbraw/zinc/78/23/61/556782361.db2.gz HMMFKZKBCCZAJU-UHFFFAOYSA-N 0 0 433.390 4.442 50 0 IIAARN C[C@@H]1CN(C(=O)c2ccc(NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C[C@H](C)O1 ZINC000058394147 556785089 /nfs/dbraw/zinc/78/50/89/556785089.db2.gz YIEOPPJPZHNZPH-GASCZTMLSA-N 0 0 426.904 4.252 50 0 IIAARN Cc1ccc(-n2cccc2)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000058401580 556785423 /nfs/dbraw/zinc/78/54/23/556785423.db2.gz NWNCCXSOQAXGIC-UHFFFAOYSA-N 0 0 430.504 4.292 50 0 IIAARN CC(C)(C(=O)N1CCCc2cc(OC(F)(F)F)ccc21)n1cc(Br)cn1 ZINC000058421451 556787472 /nfs/dbraw/zinc/78/74/72/556787472.db2.gz UYZCNIAVGJFWBM-UHFFFAOYSA-N 0 0 432.240 4.259 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)cc2F)C[C@H](C)O1 ZINC000058425108 556787797 /nfs/dbraw/zinc/78/77/97/556787797.db2.gz IXSYLVVNYNNCRN-IYBDPMFKSA-N 0 0 446.954 4.343 50 0 IIAARN c1csc(-c2csc3[nH]c(CN4CCOCC4)nc(=NO[C@@H]4CCCCO4)c23)c1 ZINC000058438095 556788442 /nfs/dbraw/zinc/78/84/42/556788442.db2.gz KZAJXLYHCOHEID-QGZVFWFLSA-N 0 0 432.571 4.122 50 0 IIAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)c1 ZINC000058482500 556789517 /nfs/dbraw/zinc/78/95/17/556789517.db2.gz MGAYWHPZGBCCOW-UHFFFAOYSA-N 0 0 426.520 4.378 50 0 IIAARN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000059058303 556794587 /nfs/dbraw/zinc/79/45/87/556794587.db2.gz ZWCBLQJXKRJCEY-INIZCTEOSA-N 0 0 431.554 4.301 50 0 IIAARN CCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000001505462 556797427 /nfs/dbraw/zinc/79/74/27/556797427.db2.gz ARFSGAWXWXYIMF-UHFFFAOYSA-N 0 0 441.578 4.409 50 0 IIAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nn2)n1 ZINC000062164485 556798136 /nfs/dbraw/zinc/79/81/36/556798136.db2.gz DVQYAPOZRGAFPB-OAHLLOKOSA-N 0 0 445.354 4.441 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NC2CCCC2)cc1 ZINC000002625997 556800792 /nfs/dbraw/zinc/80/07/92/556800792.db2.gz LKQNVUXJWGCFIB-UHFFFAOYSA-N 0 0 427.957 4.498 50 0 IIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1CN1CCOCC1 ZINC000019559198 556801083 /nfs/dbraw/zinc/80/10/83/556801083.db2.gz BGVAWLOHHDAECK-VWLOTQADSA-N 0 0 429.520 4.299 50 0 IIAARN Cc1cc(C(=O)COC(=O)C=Cc2cccs2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002635488 556801321 /nfs/dbraw/zinc/80/13/21/556801321.db2.gz PKJHCAIXORAXMF-QZEKMECESA-N 0 0 437.517 4.446 50 0 IIAARN O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)Nc1nnc(CCc2ccccc2)s1 ZINC000002477162 556801647 /nfs/dbraw/zinc/80/16/47/556801647.db2.gz OMWMLWRHUIHMQO-INIZCTEOSA-N 0 0 448.470 4.072 50 0 aggregator IIAARN CC(C)CN(CC(C)C)C(=O)CSc1nnc([C@@H](C)N(C)C)n1Cc1ccccc1 ZINC000002653997 556802465 /nfs/dbraw/zinc/80/24/65/556802465.db2.gz VCUFGSXXMPSLSG-LJQANCHMSA-N 0 0 431.650 4.182 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000033053379 556804242 /nfs/dbraw/zinc/80/42/42/556804242.db2.gz LQBMBCLHLOFVOG-IBGZPJMESA-N 0 0 435.634 4.160 50 0 IIAARN Cc1c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000003255984 556807044 /nfs/dbraw/zinc/80/70/44/556807044.db2.gz YLTUZFVQJKEQCQ-UHFFFAOYSA-N 0 0 431.492 4.127 50 0 IIAARN COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000003294935 556810998 /nfs/dbraw/zinc/81/09/98/556810998.db2.gz FFYUGLWHMUESMG-UHFFFAOYSA-N 0 0 449.846 4.284 50 0 IIAARN COc1cc(CN2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc(OC)c1OC ZINC000061997684 556812569 /nfs/dbraw/zinc/81/25/69/556812569.db2.gz REZNYMQSJCNCML-UHFFFAOYSA-N 0 0 425.481 4.096 50 0 biogenic IIAARN O=C(OCCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000003337499 556812884 /nfs/dbraw/zinc/81/28/84/556812884.db2.gz UDOGVFXYLAJXCB-UHFFFAOYSA-N 0 0 437.517 4.064 50 0 IIAARN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000003382939 556814123 /nfs/dbraw/zinc/81/41/23/556814123.db2.gz NULZINQEYZFWAK-IBGZPJMESA-N 0 0 428.872 4.235 50 0 IIAARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000003406206 556814372 /nfs/dbraw/zinc/81/43/72/556814372.db2.gz WFONCXSZQSWAFQ-HNNXBMFYSA-N 0 0 434.751 4.167 50 0 IIAARN COc1ccc(C=CC(=O)Nc2ccccc2C(=O)OCC(=O)c2cc(C)n(C)c2C)cc1 ZINC000003409429 556814569 /nfs/dbraw/zinc/81/45/69/556814569.db2.gz BNZNDZNDHPGEPJ-SDNWHVSQSA-N 0 0 446.503 4.342 50 0 IIAARN CC(C)[C@@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)NC(N)=O ZINC000003428053 556815107 /nfs/dbraw/zinc/81/51/07/556815107.db2.gz UJXYHSRKEGSORQ-GOSISDBHSA-N 0 0 432.542 4.375 50 0 IIAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(OC(F)F)cc2)n1N ZINC000003534981 556817411 /nfs/dbraw/zinc/81/74/11/556817411.db2.gz QAXVUOARAINZIQ-UHFFFAOYSA-N 0 0 434.468 4.154 50 0 IIAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000005493745 556818628 /nfs/dbraw/zinc/81/86/28/556818628.db2.gz QHUDJJHTJBFYFA-HRAATJIYSA-N 0 0 447.000 4.396 50 0 IIAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033067800 556819816 /nfs/dbraw/zinc/81/98/16/556819816.db2.gz CIJSSUVHVLFVHQ-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)COc4ccccc4C)ccc3C)nc2c1 ZINC000033068060 556820026 /nfs/dbraw/zinc/82/00/26/556820026.db2.gz YGADCRNLIMGJHE-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)c1 ZINC000033068248 556821472 /nfs/dbraw/zinc/82/14/72/556821472.db2.gz IDJDVDJFEYLWRK-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCCC1 ZINC000005317690 556827054 /nfs/dbraw/zinc/82/70/54/556827054.db2.gz ZBIWITJVPSZWRP-UWJYYQICSA-N 0 0 425.529 4.079 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)c(OC)c1 ZINC000064949768 556829478 /nfs/dbraw/zinc/82/94/78/556829478.db2.gz KCSCVLDTGZCBFE-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1 ZINC000064958705 556829777 /nfs/dbraw/zinc/82/97/77/556829777.db2.gz JWBJDORDUOKGRH-NRFANRHFSA-N 0 0 443.526 4.377 50 0 IIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000065003145 556831204 /nfs/dbraw/zinc/83/12/04/556831204.db2.gz HHOKPYVQUSRWFY-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000019619102 556831547 /nfs/dbraw/zinc/83/15/47/556831547.db2.gz HORMVKZUXSYPSQ-CYBMUJFWSA-N 0 0 440.477 4.040 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000065363309 556834752 /nfs/dbraw/zinc/83/47/52/556834752.db2.gz FJWUXJSOBXSJEM-LJQANCHMSA-N 0 0 446.555 4.222 50 0 IIAARN O=S(=O)(c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000019639129 556836706 /nfs/dbraw/zinc/83/67/06/556836706.db2.gz YTBFEOQIEKPVNU-UHFFFAOYSA-N 0 0 443.638 4.123 50 0 IIAARN CCc1cc2c([nH]c(=S)n(NC(=O)c3cc(Br)ccc3Cl)c2=O)s1 ZINC000019642118 556837924 /nfs/dbraw/zinc/83/79/24/556837924.db2.gz QUDQRQHXZQFZAR-UHFFFAOYSA-N 0 0 444.763 4.483 50 0 IIAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cccs3)nc21 ZINC000022997875 556838821 /nfs/dbraw/zinc/83/88/21/556838821.db2.gz DPEOPTFSUDRNMB-UHFFFAOYSA-N 0 0 431.583 4.044 50 0 IIAARN Cc1ccc2sc(N(CCN3CCOCC3)C(=O)CSc3ccccc3)nc2c1C ZINC000022998746 556841357 /nfs/dbraw/zinc/84/13/57/556841357.db2.gz DLDDZHDRMZLDDH-UHFFFAOYSA-N 0 0 441.622 4.371 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000071965669 556841626 /nfs/dbraw/zinc/84/16/26/556841626.db2.gz LQYSGWWWJDLMRU-UHFFFAOYSA-N 0 0 426.538 4.493 50 0 IIAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000008719166 556843135 /nfs/dbraw/zinc/84/31/35/556843135.db2.gz CFBBXKFKCOWQFV-MJGOQNOKSA-N 0 0 440.594 4.298 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3cc(C)ccc3OC)C2)c1 ZINC000067773151 556846593 /nfs/dbraw/zinc/84/65/93/556846593.db2.gz KBNIFKFTCNGORP-IBGZPJMESA-N 0 0 439.556 4.353 50 0 IIAARN CC(C)OC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000096817261 556846638 /nfs/dbraw/zinc/84/66/38/556846638.db2.gz BGKZDKNXZVSJRB-RCCKNPSSSA-N 0 0 443.463 4.135 50 0 IIAARN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(Cc3c[nH]cn3)C4)nc12 ZINC000067871871 556847676 /nfs/dbraw/zinc/84/76/76/556847676.db2.gz HVZBGUYUPZZFIV-UHFFFAOYSA-N 0 0 430.508 4.345 50 0 IIAARN COc1ccccc1OCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000068713323 556849563 /nfs/dbraw/zinc/84/95/63/556849563.db2.gz IAEJHSYUGVKGDJ-HHHXNRCGSA-N 0 0 445.515 4.198 50 0 IIAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1cccnc1 ZINC000008854553 556850200 /nfs/dbraw/zinc/85/02/00/556850200.db2.gz ARQSSIXPLVDNMB-UHFFFAOYSA-N 0 0 434.384 4.452 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1ccco1 ZINC000008860869 556851240 /nfs/dbraw/zinc/85/12/40/556851240.db2.gz XBAFTGRZOBUWLN-UHFFFAOYSA-N 0 0 426.498 4.330 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1 ZINC000008935948 556852740 /nfs/dbraw/zinc/85/27/40/556852740.db2.gz LYCWJSXWOODLDY-UHFFFAOYSA-N 0 0 430.570 4.072 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)s1 ZINC000033078262 556853299 /nfs/dbraw/zinc/85/32/99/556853299.db2.gz UUWOWKUVNLRGQO-AWEZNQCLSA-N 0 0 426.542 4.126 50 0 IIAARN CC(C)C[C@@H](C)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078678 556853665 /nfs/dbraw/zinc/85/36/65/556853665.db2.gz FCNDNYLUPPHKGB-QGZVFWFLSA-N 0 0 427.520 4.333 50 0 IIAARN CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000033086088 556857004 /nfs/dbraw/zinc/85/70/04/556857004.db2.gz UVAYRAGXIRZHCG-UHFFFAOYSA-N 0 0 449.864 4.306 50 0 IIAARN COc1cccc(-c2nc(C)c(-c3ccc(SCCN4CCOCC4)nn3)s2)c1 ZINC000033086754 556857255 /nfs/dbraw/zinc/85/72/55/556857255.db2.gz DFQJLNATPQPNOC-UHFFFAOYSA-N 0 0 428.583 4.008 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087522 556857564 /nfs/dbraw/zinc/85/75/64/556857564.db2.gz HJTPCXPOHBUOAB-UHFFFAOYSA-N 0 0 438.553 4.474 50 0 IIAARN O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106227 556858617 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IIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(C)cc2)c3=O)o1 ZINC000033251254 556892147 /nfs/dbraw/zinc/89/21/47/556892147.db2.gz LXRDJSYZEIOVKH-UHFFFAOYSA-N 0 0 442.519 4.126 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251985 556892301 /nfs/dbraw/zinc/89/23/01/556892301.db2.gz BJHLRDKNLJDGTI-KRWDZBQOSA-N 0 0 443.352 4.184 50 0 IIAARN COc1cccc(CNC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c1 ZINC000033252162 556892619 /nfs/dbraw/zinc/89/26/19/556892619.db2.gz SCPRFUDWZFKPDA-UHFFFAOYSA-N 0 0 428.536 4.330 50 0 IIAARN Cc1nnc(SCCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000072333709 556906989 /nfs/dbraw/zinc/90/69/89/556906989.db2.gz VMSHTSKGCOTOSL-UHFFFAOYSA-N 0 0 427.577 4.250 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 ZINC000019796623 556916252 /nfs/dbraw/zinc/91/62/52/556916252.db2.gz JTGFVRYOCPEKHE-NSHDSACASA-N 0 0 439.493 4.107 50 0 IIAARN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 ZINC000010670035 556917200 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4.244 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859882 556932489 /nfs/dbraw/zinc/93/24/89/556932489.db2.gz QQJHMFCWVYMUPV-SFHVURJKSA-N 0 0 434.989 4.391 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000019898818 556941441 /nfs/dbraw/zinc/94/14/41/556941441.db2.gz MMUSTYQIUWHYLM-JOCHJYFZSA-N 0 0 443.503 4.390 50 0 IIAARN CCc1ccc(OCc2ccc(-c3n[nH]c(=S)n3CCCN3CCOCC3)cc2)cc1 ZINC000020028609 556967504 /nfs/dbraw/zinc/96/75/04/556967504.db2.gz MHRWSYAOWSQDCL-UHFFFAOYSA-N 0 0 438.597 4.471 50 0 IIAARN Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)n2)c1 ZINC000020028691 556967622 /nfs/dbraw/zinc/96/76/22/556967622.db2.gz FUTJCLBWMBBYME-UHFFFAOYSA-N 0 0 438.959 4.148 50 0 IIAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=N[C@H]2c1ccc(Cl)cc1 ZINC000020028275 556967657 /nfs/dbraw/zinc/96/76/57/556967657.db2.gz ASCCJPFSHZWRLX-OAQYLSRUSA-N 0 0 434.931 4.062 50 0 IIAARN Cc1cccc(CN2CCN(C(=O)c3ccn(COc4cc(C)ccc4Cl)n3)CC2)c1 ZINC000020028699 556967907 /nfs/dbraw/zinc/96/79/07/556967907.db2.gz ONVWAWXOOSUIMA-UHFFFAOYSA-N 0 0 438.959 4.148 50 0 IIAARN C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000036440957 556977473 /nfs/dbraw/zinc/97/74/73/556977473.db2.gz WJFODFSQJVOHRF-NPMXOYFQSA-N 0 0 440.590 4.406 50 0 IIAARN CCc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 ZINC000033266611 556977489 /nfs/dbraw/zinc/97/74/89/556977489.db2.gz KGPRHYNWPXNMSN-UHFFFAOYSA-N 0 0 439.563 4.492 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1OC ZINC000020095549 556979488 /nfs/dbraw/zinc/97/94/88/556979488.db2.gz CDUMQZNGBZSUNH-KRWDZBQOSA-N 0 0 447.535 4.314 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1 ZINC000033268651 556985317 /nfs/dbraw/zinc/98/53/17/556985317.db2.gz KSRQOJVMKNZPMN-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1cc(Br)cc(C)c1N(CC(F)F)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000097163186 556994177 /nfs/dbraw/zinc/99/41/77/556994177.db2.gz FNRMPECAPUFQFE-UHFFFAOYSA-N 0 0 436.322 4.304 50 0 IIAARN Cc1cccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)c1 ZINC000020171084 556994822 /nfs/dbraw/zinc/99/48/22/556994822.db2.gz CKZBWBMCWZUAQA-UHFFFAOYSA-N 0 0 432.549 4.019 50 0 IIAARN Cc1ccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)cc1 ZINC000020171993 556994890 /nfs/dbraw/zinc/99/48/90/556994890.db2.gz ZUIJDRHERCMIOD-UHFFFAOYSA-N 0 0 432.549 4.019 50 0 IIAARN O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000077197562 556996810 /nfs/dbraw/zinc/99/68/10/556996810.db2.gz MIKNJMNCHWTKHM-KRWDZBQOSA-N 0 0 436.537 4.127 50 0 IIAARN Cc1c(C(=O)NCc2ccc(N3CCCC3)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000023101677 557001214 /nfs/dbraw/zinc/00/12/14/557001214.db2.gz SHEUWGCNJZAHFH-UHFFFAOYSA-N 0 0 429.446 4.125 50 0 IIAARN O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(OC(F)(F)F)cc1 ZINC000010680780 557001667 /nfs/dbraw/zinc/00/16/67/557001667.db2.gz RTXGKHTWXHJZNE-UHFFFAOYSA-N 0 0 425.388 4.278 50 0 IIAARN COc1ccccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000023115961 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CCCCn1c2ccccc2nc(CCC(=O)OCc2cc3c(c(Cl)c2)OCO3)c1=O ZINC000011322718 557088573 /nfs/dbraw/zinc/08/85/73/557088573.db2.gz AAUCRIMPLDAFOY-UHFFFAOYSA-N 0 0 442.899 4.255 50 0 IIAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)o1 ZINC000033308358 557088788 /nfs/dbraw/zinc/08/87/88/557088788.db2.gz CDPAWJONJSVPGD-JOCHJYFZSA-N 0 0 443.459 4.403 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1C ZINC000033308614 557089445 /nfs/dbraw/zinc/08/94/45/557089445.db2.gz OPFQZEIUTPTMNV-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN O=C(NCc1ccc(F)c(Cl)c1)c1nnn(-c2ccccc2F)c1-c1cccnc1 ZINC000049003735 557091809 /nfs/dbraw/zinc/09/18/09/557091809.db2.gz CIPWQHZLLRTWFG-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN CCN(c1ccsc1C(=O)NCc1cc(F)cc(F)c1)S(=O)(=O)c1ccccc1 ZINC000049004227 557092301 /nfs/dbraw/zinc/09/23/01/557092301.db2.gz UYZIFCPPDCSASX-UHFFFAOYSA-N 0 0 436.505 4.172 50 0 IIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000023447142 557092466 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434.521 4.287 50 0 IIAARN CCCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000002109335 557127537 /nfs/dbraw/zinc/12/75/37/557127537.db2.gz QYVHMNFSAAPKOQ-JJEOQYAHSA-N 0 0 444.553 4.476 50 0 IIAARN CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000652630 557129429 /nfs/dbraw/zinc/12/94/29/557129429.db2.gz DELCDAMWXUNKSK-UHFFFAOYSA-N 0 0 438.549 4.400 50 0 IIAARN COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC(=O)C(C)C ZINC000000662864 557131163 /nfs/dbraw/zinc/13/11/63/557131163.db2.gz FSDJWNSDQBTFCG-YBEGLDIGSA-N 0 0 444.281 4.364 50 0 IIAARN COc1cccc(CN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1OC ZINC000017967371 557134125 /nfs/dbraw/zinc/13/41/25/557134125.db2.gz IKUYVIMPKKRFLU-UHFFFAOYSA-N 0 0 446.547 4.368 50 0 IIAARN Cc1cc(C)cc(-n2ncc3c2ncn(Cc2nc(-c4ccc(C(C)C)cc4)no2)c3=O)c1 ZINC000024094280 557136767 /nfs/dbraw/zinc/13/67/67/557136767.db2.gz FHCPYADPFPGDEA-UHFFFAOYSA-N 0 0 440.507 4.421 50 0 IIAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000000697024 557137724 /nfs/dbraw/zinc/13/77/24/557137724.db2.gz ROVWSZUQASAIRG-UHFFFAOYSA-N 0 0 434.477 4.376 50 0 IIAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024193357 557140528 /nfs/dbraw/zinc/14/05/28/557140528.db2.gz CAYDFBJXEVTUMR-UHFFFAOYSA-N 0 0 436.364 4.048 50 0 IIAARN COc1cc(CSc2nnnn2-c2cccc(C)c2C)c(OC)cc1Br ZINC000024271057 557142389 /nfs/dbraw/zinc/14/23/89/557142389.db2.gz KYJORKONEBSWJR-UHFFFAOYSA-N 0 0 435.347 4.351 50 0 IIAARN COc1ccc(NC(=O)Cn2c(=O)c3ccccc3nc2-c2ccccc2Cl)cc1OC ZINC000009968800 557144131 /nfs/dbraw/zinc/14/41/31/557144131.db2.gz VWHPPQWXQWYJEX-UHFFFAOYSA-N 0 0 449.894 4.373 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000011426699 557146239 /nfs/dbraw/zinc/14/62/39/557146239.db2.gz WNJPWBPSNSFAKE-UHFFFAOYSA-N 0 0 427.353 4.341 50 0 IIAARN CC(C)Oc1cccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000024607792 557153659 /nfs/dbraw/zinc/15/36/59/557153659.db2.gz PQNZELUJSGOOJA-UHFFFAOYSA-N 0 0 440.496 4.427 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607426 557153720 /nfs/dbraw/zinc/15/37/20/557153720.db2.gz CIQDHAFLWFCFRR-SFHVURJKSA-N 0 0 449.016 4.019 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608446 557153986 /nfs/dbraw/zinc/15/39/86/557153986.db2.gz ILCFXIXQNCYFEG-GOSISDBHSA-N 0 0 449.016 4.019 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609985 557154578 /nfs/dbraw/zinc/15/45/78/557154578.db2.gz XKQMSEPZJNTZHB-UHFFFAOYSA-N 0 0 444.450 4.025 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000024646036 557156919 /nfs/dbraw/zinc/15/69/19/557156919.db2.gz AINUBDUIMOBPBA-JOCHJYFZSA-N 0 0 436.533 4.155 50 0 IIAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526393 557159585 /nfs/dbraw/zinc/15/95/85/557159585.db2.gz YRZQFCVJRDZCIB-UHFFFAOYSA-N 0 0 432.263 4.207 50 0 IIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000011539289 557160658 /nfs/dbraw/zinc/16/06/58/557160658.db2.gz YRXRWTMXHOPTQC-AREMUKBSSA-N 0 0 443.503 4.305 50 0 IIAARN CCO[C@H]1C[C@H](NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C12CCC2 ZINC000072295471 557162275 /nfs/dbraw/zinc/16/22/75/557162275.db2.gz QWPOJGFRFNSLDL-SFTDATJTSA-N 0 0 426.582 4.329 50 0 IIAARN O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000206829890 557163065 /nfs/dbraw/zinc/16/30/65/557163065.db2.gz QRXVGZCSAWHADZ-LJQANCHMSA-N 0 0 447.482 4.325 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 ZINC000000754651 557168972 /nfs/dbraw/zinc/16/89/72/557168972.db2.gz NKBUJKMUIIBTSH-UHFFFAOYSA-N 0 0 433.493 4.133 50 0 IIAARN Cc1cc2n(n1)c(=O)cc(C)n2C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000024828610 557169353 /nfs/dbraw/zinc/16/93/53/557169353.db2.gz CWJMACDXYOTOBG-HXUWFJFHSA-N 0 0 425.573 4.267 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc(C)c1CC ZINC000024833287 557171173 /nfs/dbraw/zinc/17/11/73/557171173.db2.gz QIKWQCXYXKKOMR-UHFFFAOYSA-N 0 0 431.482 4.044 50 0 IIAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010964737 557175562 /nfs/dbraw/zinc/17/55/62/557175562.db2.gz AIJZOVIXHDXEJD-UHFFFAOYSA-N 0 0 447.607 4.202 50 0 IIAARN CC(C)Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccncc1 ZINC000009226113 557183607 /nfs/dbraw/zinc/18/36/07/557183607.db2.gz PKAFIVDISBIQBP-UHFFFAOYSA-N 0 0 425.602 4.173 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000024969662 557183780 /nfs/dbraw/zinc/18/37/80/557183780.db2.gz DUFYXMGOIBVGMH-NSHDSACASA-N 0 0 437.721 4.401 50 0 IIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000011558151 557184032 /nfs/dbraw/zinc/18/40/32/557184032.db2.gz XKYSWNLEWUYREZ-MRVPVSSYSA-N 0 0 446.260 4.487 50 0 IIAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1sccc1-n1cccc1 ZINC000098003321 557189203 /nfs/dbraw/zinc/18/92/03/557189203.db2.gz YUXMBUFDPWAMNM-GHRIWEEISA-N 0 0 441.509 4.144 50 0 IIAARN Cc1c(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)sc2nc(C3CC3)nc(C)c12 ZINC000025054341 557192134 /nfs/dbraw/zinc/19/21/34/557192134.db2.gz YJWUFHFSZPPBSG-UHFFFAOYSA-N 0 0 435.505 4.110 50 0 IIAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000025061016 557193178 /nfs/dbraw/zinc/19/31/78/557193178.db2.gz FQSPEJWJJARGHH-UHFFFAOYSA-N 0 0 425.318 4.462 50 0 IIAARN O=S(=O)(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000096298872 557194683 /nfs/dbraw/zinc/19/46/83/557194683.db2.gz COQLSIWWTRGVGP-UHFFFAOYSA-N 0 0 438.568 4.007 50 0 IIAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000025128825 557196148 /nfs/dbraw/zinc/19/61/48/557196148.db2.gz ZKRXNSGXBGJCRS-STQMWFEESA-N 0 0 449.736 4.328 50 0 IIAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100873446 557196172 /nfs/dbraw/zinc/19/61/72/557196172.db2.gz FDZBULUVQRTMJQ-XDOYNYLZSA-N 0 0 448.386 4.309 50 0 IIAARN O=C(CCNC(=O)NC1CCCCC1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025171445 557198275 /nfs/dbraw/zinc/19/82/75/557198275.db2.gz NLBIJXCQDOBYRQ-JOCHJYFZSA-N 0 0 432.568 4.438 50 0 IIAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000025179941 557199089 /nfs/dbraw/zinc/19/90/89/557199089.db2.gz YCZJYPNLWXPJBW-MSOLQXFVSA-N 0 0 434.492 4.306 50 0 IIAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000072043714 557199428 /nfs/dbraw/zinc/19/94/28/557199428.db2.gz JZMUCEYEQBOCCI-UHFFFAOYSA-N 0 0 430.551 4.276 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)n2)cc1OC ZINC000025245503 557201120 /nfs/dbraw/zinc/20/11/20/557201120.db2.gz FISGWAIYGLBAGJ-AWEZNQCLSA-N 0 0 427.457 4.031 50 0 IIAARN O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccnc(N2CCOCC2)c1 ZINC000025289683 557202701 /nfs/dbraw/zinc/20/27/01/557202701.db2.gz RNPAYRWZAWTBON-UHFFFAOYSA-N 0 0 433.577 4.057 50 0 IIAARN Cc1cc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)nc(C(C)C)n1 ZINC000025352234 557205671 /nfs/dbraw/zinc/20/56/71/557205671.db2.gz JHMKAYAAUIKICH-UHFFFAOYSA-N 0 0 446.477 4.299 50 0 IIAARN CC(C)Cn1c(CN(C)[C@@H](C)c2ccccn2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000096851292 557205827 /nfs/dbraw/zinc/20/58/27/557205827.db2.gz ISQYAAJEXPURHX-IBGZPJMESA-N 0 0 426.586 4.101 50 0 IIAARN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@@H](C)O1 ZINC000025387501 557206883 /nfs/dbraw/zinc/20/68/83/557206883.db2.gz FQYQIFZGAFMKAJ-HUUCEWRRSA-N 0 0 435.446 4.005 50 0 IIAARN CSc1nc(C)c(CCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c(C)n1 ZINC000025388199 557206941 /nfs/dbraw/zinc/20/69/41/557206941.db2.gz DVGKWTQYGDHYDM-UHFFFAOYSA-N 0 0 438.553 4.008 50 0 IIAARN CSCCn1c2cc3c(cc2sc1=NC(=O)Cc1ccc(C)c(C)c1)OCCO3 ZINC000100987592 557210248 /nfs/dbraw/zinc/21/02/48/557210248.db2.gz GBKQBWIWJFUYPI-FCQUAONHSA-N 0 0 428.579 4.124 50 0 IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1Br ZINC000011614169 557210320 /nfs/dbraw/zinc/21/03/20/557210320.db2.gz YSCYWQKTTCBBAA-JTQLQIEISA-N 0 0 431.149 4.352 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1Br ZINC000011614168 557210352 /nfs/dbraw/zinc/21/03/52/557210352.db2.gz YSCYWQKTTCBBAA-SNVBAGLBSA-N 0 0 431.149 4.352 50 0 IIAARN COc1cccc(OCc2nnc(SCc3csc(-c4cccs4)n3)n2N)c1 ZINC000025515110 557212682 /nfs/dbraw/zinc/21/26/82/557212682.db2.gz TXTAHLPGZGLDQZ-UHFFFAOYSA-N 0 0 431.568 4.057 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1)C1CC1 ZINC000025548794 557214042 /nfs/dbraw/zinc/21/40/42/557214042.db2.gz NKWHVIYQMQMOBW-UHFFFAOYSA-N 0 0 438.325 4.477 50 0 IIAARN CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000011623773 557215026 /nfs/dbraw/zinc/21/50/26/557215026.db2.gz WFPNMTBJOFZTHP-UHFFFAOYSA-N 0 0 435.446 4.437 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1C ZINC000024918245 557219265 /nfs/dbraw/zinc/21/92/65/557219265.db2.gz MCKPSIQNHHYXCC-UHFFFAOYSA-N 0 0 440.544 4.055 50 0 IIAARN COc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1OC ZINC000025667727 557220952 /nfs/dbraw/zinc/22/09/52/557220952.db2.gz UOIUHXJNYHWHEF-UHFFFAOYSA-N 0 0 430.551 4.279 50 0 IIAARN CS(=O)(=O)Nc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1F ZINC000025670623 557221320 /nfs/dbraw/zinc/22/13/20/557221320.db2.gz MDGCMWDKBDGRLC-UHFFFAOYSA-N 0 0 437.880 4.077 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000025739029 557223884 /nfs/dbraw/zinc/22/38/84/557223884.db2.gz RLONBBWOSBWMAB-UHFFFAOYSA-N 0 0 441.531 4.136 50 0 IIAARN C[C@@H](Sc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000010755557 557224354 /nfs/dbraw/zinc/22/43/54/557224354.db2.gz REVCYWCOJGTJQV-DLBZAZTESA-N 0 0 449.532 4.385 50 0 IIAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(Cc4ccco4)c(=N)c32)cc1OC ZINC000101075747 557225844 /nfs/dbraw/zinc/22/58/44/557225844.db2.gz DYUPIQFGYZQMGK-OAQYLSRUSA-N 0 0 431.448 4.013 50 0 IIAARN COc1cc(-c2nnc(COC(=O)c3cc(Cl)ccc3Cl)o2)cc(OC)c1OC ZINC000011029867 557226753 /nfs/dbraw/zinc/22/67/53/557226753.db2.gz GHKMEPQFDSZWSN-UHFFFAOYSA-N 0 0 439.251 4.426 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(COC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000025785394 557226831 /nfs/dbraw/zinc/22/68/31/557226831.db2.gz JDHRYEPUYPPBHX-FQEVSTJZSA-N 0 0 432.476 4.128 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000025802587 557227150 /nfs/dbraw/zinc/22/71/50/557227150.db2.gz ZQBDZIIZVPDCHW-KRWDZBQOSA-N 0 0 432.561 4.155 50 0 IIAARN Cc1cc(C)c(Nc2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)s2)c(Cl)c1 ZINC000025858015 557228719 /nfs/dbraw/zinc/22/87/19/557228719.db2.gz MCJBKBXCGULFDI-SNVBAGLBSA-N 0 0 436.998 4.238 50 0 IIAARN O=C(NCC[C@@H](O)c1ccccc1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000072303058 557229333 /nfs/dbraw/zinc/22/93/33/557229333.db2.gz RKAAKGBVAMRVCH-LJQANCHMSA-N 0 0 427.298 4.490 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000011612751 557230028 /nfs/dbraw/zinc/23/00/28/557230028.db2.gz OPDQCXHJJAYHIZ-KRWDZBQOSA-N 0 0 443.594 4.485 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2)cc1 ZINC000023321348 557232574 /nfs/dbraw/zinc/23/25/74/557232574.db2.gz ZXGAIOYYTHIOKR-UHFFFAOYSA-N 0 0 434.927 4.258 50 0 IIAARN CC(=O)Nc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018044053 557234347 /nfs/dbraw/zinc/23/43/47/557234347.db2.gz DEFJWDXEEOVJRK-SMIHKQSGSA-N 0 0 441.487 4.005 50 0 IIAARN CCOc1ccc(NC(=O)c2sc3cccc(F)c3c2C)cc1S(=O)(=O)N(C)C ZINC000018089681 557235025 /nfs/dbraw/zinc/23/50/25/557235025.db2.gz KNVWPKVVHGZNQS-UHFFFAOYSA-N 0 0 436.530 4.250 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211510 557235075 /nfs/dbraw/zinc/23/50/75/557235075.db2.gz ZYJSYWKTWIBPFL-KRWDZBQOSA-N 0 0 444.491 4.071 50 0 IIAARN COc1ccc2c(c1)CCc1cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)sc1-2 ZINC000018099895 557236935 /nfs/dbraw/zinc/23/69/35/557236935.db2.gz VNFWCKVELFIQEB-UHFFFAOYSA-N 0 0 431.517 4.031 50 0 IIAARN COc1ccccc1-c1cc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)on1 ZINC000026272658 557238393 /nfs/dbraw/zinc/23/83/93/557238393.db2.gz PCKHZHBYVGEBKV-UHFFFAOYSA-N 0 0 426.494 4.007 50 0 IIAARN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026326464 557238995 /nfs/dbraw/zinc/23/89/95/557238995.db2.gz KOTOFWDKZSZXGZ-CQSZACIVSA-N 0 0 428.330 4.465 50 0 IIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000026389940 557240146 /nfs/dbraw/zinc/24/01/46/557240146.db2.gz QKZLFXVXSQXMSN-HXUWFJFHSA-N 0 0 426.505 4.372 50 0 IIAARN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 ZINC000026417955 557240727 /nfs/dbraw/zinc/24/07/27/557240727.db2.gz MKJXAPSYNYWYSQ-LGAXDAQDSA-N 0 0 448.563 4.490 50 0 IIAARN COc1ccc(-c2noc(CN3CCC(C(=O)c4ccc(C)cc4C)CC3)n2)cc1OC ZINC000026641493 557245831 /nfs/dbraw/zinc/24/58/31/557245831.db2.gz KFRQNZAOZCBPTO-UHFFFAOYSA-N 0 0 435.524 4.466 50 0 IIAARN O=C(NCc1noc(CN(CCc2ccccc2)Cc2ccccc2)n1)c1ccccc1 ZINC000026649311 557246135 /nfs/dbraw/zinc/24/61/35/557246135.db2.gz YWUVTFILWDBAJT-UHFFFAOYSA-N 0 0 426.520 4.245 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3Cn3cccn3)c12 ZINC000026647403 557246241 /nfs/dbraw/zinc/24/62/41/557246241.db2.gz MJIGIIYJPZXVLC-UHFFFAOYSA-N 0 0 442.548 4.180 50 0 IIAARN OCCc1ccc(OCc2coc(-c3cccc(F)c3)n2)c(-n2nc3ccccc3n2)c1 ZINC000026777980 557248173 /nfs/dbraw/zinc/24/81/73/557248173.db2.gz OVTZQNRBARMQQI-UHFFFAOYSA-N 0 0 430.439 4.328 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100217686 557248495 /nfs/dbraw/zinc/24/84/95/557248495.db2.gz REPPSLWYXGSPOP-KDURUIRLSA-N 0 0 447.516 4.391 50 0 IIAARN COc1ccc([C@@H](NC(=O)c2cc(=O)c(OCc3ccccc3)co2)C(C)C)cc1OC ZINC000604405189 557248644 /nfs/dbraw/zinc/24/86/44/557248644.db2.gz MPSGCIVTMTYHOU-DEOSSOPVSA-N 0 0 437.492 4.363 50 0 biogenic IIAARN O=C(CNc1ccccc1-n1cncn1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000026784666 557248900 /nfs/dbraw/zinc/24/89/00/557248900.db2.gz RJZWOBLXVWUYIN-GOSISDBHSA-N 0 0 434.550 4.180 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000026889118 557250181 /nfs/dbraw/zinc/25/01/81/557250181.db2.gz KXWZPNNFTOJFLE-GOSISDBHSA-N 0 0 448.592 4.051 50 0 IIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000026889122 557250186 /nfs/dbraw/zinc/25/01/86/557250186.db2.gz KXWZPNNFTOJFLE-SFHVURJKSA-N 0 0 448.592 4.051 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000027016816 557253980 /nfs/dbraw/zinc/25/39/80/557253980.db2.gz NIGYDINQSYWLPU-OAQYLSRUSA-N 0 0 429.476 4.082 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1)Nc1ccccc1 ZINC000027017557 557254340 /nfs/dbraw/zinc/25/43/40/557254340.db2.gz MVHQLOQGXOYDIC-OAQYLSRUSA-N 0 0 449.894 4.102 50 0 IIAARN COc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000100280423 557256600 /nfs/dbraw/zinc/25/66/00/557256600.db2.gz OMIDUKLJYKPMRG-INIZCTEOSA-N 0 0 439.320 4.006 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1)n1cccn1 ZINC000027084571 557256672 /nfs/dbraw/zinc/25/66/72/557256672.db2.gz FCJKCJRHCNOKAF-LBPRGKRZSA-N 0 0 431.265 4.237 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100496478 557262443 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4.377 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)c1 ZINC000101233481 557285179 /nfs/dbraw/zinc/28/51/79/557285179.db2.gz LEDUKSWEUFAUQY-LLBVYWAGSA-N 0 0 431.488 4.045 50 0 IIAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000101617872 557292495 /nfs/dbraw/zinc/29/24/95/557292495.db2.gz IPCVEOIOJGVJOY-IAGOWNOFSA-N 0 0 426.925 4.381 50 0 IIAARN C[C@@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000072306943 557295965 /nfs/dbraw/zinc/29/59/65/557295965.db2.gz QGYFLIUYJAFTAY-VFNWGFHPSA-N 0 0 445.357 4.235 50 0 IIAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 ZINC000101888657 557296234 /nfs/dbraw/zinc/29/62/34/557296234.db2.gz ZJDAOUVKRNSFRV-XMCHAPAWSA-N 0 0 439.895 4.305 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 ZINC000014068851 557297437 /nfs/dbraw/zinc/29/74/37/557297437.db2.gz MPKNDIGTOIFQRO-UHFFFAOYSA-N 0 0 446.516 4.467 50 0 IIAARN 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IIAARN Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1C(=O)N1CCSCC1 ZINC000084041448 568790427 /nfs/dbraw/zinc/79/04/27/568790427.db2.gz BPVVXRNWZMIIPB-UHFFFAOYSA-N 0 0 427.961 4.030 50 0 IIAARN Cc1ccc(C(=O)Oc2ccc(-c3ccc(I)cc3)cc2)c(=O)[nH]1 ZINC000084131055 568793985 /nfs/dbraw/zinc/79/39/85/568793985.db2.gz UTKQTCQXIDSYPI-UHFFFAOYSA-N 0 0 431.229 4.174 50 0 IIAARN Cc1coc(-c2cccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c2)n1 ZINC000084265458 568796529 /nfs/dbraw/zinc/79/65/29/568796529.db2.gz TXLNAIZIPIKNMX-UHFFFAOYSA-N 0 0 447.516 4.381 50 0 IIAARN O=C(CCc1nc(-c2ccsc2)no1)NCCCC1(C2OCCO2)CCCCCC1 ZINC000084618566 568799163 /nfs/dbraw/zinc/79/91/63/568799163.db2.gz KDLQHKGSTNNEGG-UHFFFAOYSA-N 0 0 433.574 4.341 50 0 IIAARN C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1cc(F)c(Cl)cc1Cl ZINC000084647417 568799523 /nfs/dbraw/zinc/79/95/23/568799523.db2.gz DBQGTHTVTKQXGC-CHKZYTGQSA-N 0 0 434.364 4.036 50 0 IIAARN CCCCN1C=C(OC(=O)c2ccccc2Br)c2ccccc2S1(=O)=O ZINC000015669454 568801936 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0 IIAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc2S1 ZINC000015730386 568813956 /nfs/dbraw/zinc/81/39/56/568813956.db2.gz WSTMUVSTRUSNPH-VIFPVBQESA-N 0 0 445.335 4.212 50 0 IIAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(C)c1 ZINC000015730524 568814126 /nfs/dbraw/zinc/81/41/26/568814126.db2.gz SSFXOVIJHVNELL-OAHLLOKOSA-N 0 0 433.599 4.465 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(Br)c1 ZINC000015730725 568814143 /nfs/dbraw/zinc/81/41/43/568814143.db2.gz DVROKKOQLNGHSR-LLVKDONJSA-N 0 0 441.372 4.239 50 0 IIAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)ccc1Br ZINC000015730761 568814237 /nfs/dbraw/zinc/81/42/37/568814237.db2.gz JDYSHZLCQWBYSZ-LLVKDONJSA-N 0 0 441.372 4.239 50 0 IIAARN O=C(Nc1cccnc1)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734937 568816536 /nfs/dbraw/zinc/81/65/36/568816536.db2.gz ODAZPRBMDRWSBH-UHFFFAOYSA-N 0 0 444.358 4.218 50 0 IIAARN NC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000001447708 568817609 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4.068 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1C ZINC000006101351 568824972 /nfs/dbraw/zinc/82/49/72/568824972.db2.gz ZEBSXZGLFLACKS-UHFFFAOYSA-N 0 0 434.521 4.339 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000015781698 568826022 /nfs/dbraw/zinc/82/60/22/568826022.db2.gz XKWNYIOHUBELPZ-HXUWFJFHSA-N 0 0 426.513 4.487 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000015781702 568826177 /nfs/dbraw/zinc/82/61/77/568826177.db2.gz DLUKWKBVGVCNDF-HXUWFJFHSA-N 0 0 442.512 4.187 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015781749 568826217 /nfs/dbraw/zinc/82/62/17/568826217.db2.gz PDBAIKXNIBKLMB-SFHVURJKSA-N 0 0 432.904 4.360 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 ZINC000085651543 568831488 /nfs/dbraw/zinc/83/14/88/568831488.db2.gz HSIBMKCTTNTWAD-UHFFFAOYSA-N 0 0 431.414 4.418 50 0 IIAARN Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000015785839 568832811 /nfs/dbraw/zinc/83/28/11/568832811.db2.gz VXUOMKGVXRBDHO-UHFFFAOYSA-N 0 0 436.922 4.143 50 0 IIAARN CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1N1CCN(c2ccccc2)CC1 ZINC000015785823 568833471 /nfs/dbraw/zinc/83/34/71/568833471.db2.gz UNXUBDXOWKDQGE-UHFFFAOYSA-N 0 0 430.531 4.052 50 0 IIAARN CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OCC ZINC000002486126 568838406 /nfs/dbraw/zinc/83/84/06/568838406.db2.gz NEIARCXQCBSCFZ-FQEVSTJZSA-N 0 0 432.542 4.087 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000001516632 568839643 /nfs/dbraw/zinc/83/96/43/568839643.db2.gz UXOKETNBDZXATR-UHFFFAOYSA-N 0 0 444.582 4.268 50 0 IIAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000015823140 568840036 /nfs/dbraw/zinc/84/00/36/568840036.db2.gz XCIGQFVNDVIXNT-UHFFFAOYSA-N 0 0 428.510 4.024 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000015827870 568841018 /nfs/dbraw/zinc/84/10/18/568841018.db2.gz CQEUHXFBBWPDSW-UHFFFAOYSA-N 0 0 428.464 4.088 50 0 IIAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000015832869 568842249 /nfs/dbraw/zinc/84/22/49/568842249.db2.gz ONHYUPDWNDUQHJ-HXUWFJFHSA-N 0 0 447.944 4.319 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000021751157 568842573 /nfs/dbraw/zinc/84/25/73/568842573.db2.gz SPLSRWZILGNPAV-NRFANRHFSA-N 0 0 439.606 4.487 50 0 IIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858886 568846938 /nfs/dbraw/zinc/84/69/38/568846938.db2.gz OTUQWCJSLSJFGB-SANMLTNESA-N 0 0 449.510 4.485 50 0 IIAARN O=C(Cc1ccc(F)cc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862082 568848386 /nfs/dbraw/zinc/84/83/86/568848386.db2.gz APLNUAMXXYJZQW-UHFFFAOYSA-N 0 0 441.509 4.417 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)NCc2ccco2)c1C ZINC000015862443 568848614 /nfs/dbraw/zinc/84/86/14/568848614.db2.gz NXPFGNNQJZMONX-UHFFFAOYSA-N 0 0 439.512 4.322 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1F ZINC000015863275 568849066 /nfs/dbraw/zinc/84/90/66/568849066.db2.gz HSNOFEGFLLVYDS-UHFFFAOYSA-N 0 0 449.530 4.485 50 0 IIAARN COc1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]3c4ccccc4CCN23)cc1 ZINC000006164193 568849225 /nfs/dbraw/zinc/84/92/25/568849225.db2.gz UJYGNNWWRGHYOS-JWQCQUIFSA-N 0 0 434.561 4.306 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1 ZINC000015865567 568850301 /nfs/dbraw/zinc/85/03/01/568850301.db2.gz CGQXSFQTLFWKQQ-UHFFFAOYSA-N 0 0 435.867 4.188 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4cccc(F)c4)CC3)[nH]c2c1 ZINC000015868711 568852210 /nfs/dbraw/zinc/85/22/10/568852210.db2.gz YGMNCOPVGINIAE-INIZCTEOSA-N 0 0 437.515 4.120 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1Cl ZINC000015882761 568857205 /nfs/dbraw/zinc/85/72/05/568857205.db2.gz AHLQPTRTWPZBHC-UHFFFAOYSA-N 0 0 429.929 4.066 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883364 568857635 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IIAARN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012946252 568871148 /nfs/dbraw/zinc/87/11/48/568871148.db2.gz KGYLFQKYTFLJCR-NTCAYCPXSA-N 0 0 432.973 4.011 50 0 IIAARN Cc1nc(N2CCCC2)ncc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C ZINC000575473048 568873262 /nfs/dbraw/zinc/87/32/62/568873262.db2.gz ADNNJPYSSTUUIZ-OAHLLOKOSA-N 0 0 446.551 4.445 50 0 IIAARN COc1ccc(Br)cc1/C=C/C(=O)N(C)CCc1ccc(OC)c(OC)c1 ZINC000008735749 568877650 /nfs/dbraw/zinc/87/76/50/568877650.db2.gz ZXIZMSRIPBWLGB-UXBLZVDNSA-N 0 0 434.330 4.189 50 0 IIAARN Cc1nn(CCNS(=O)(=O)c2ccccc2OC(F)(F)F)c(C)c1-c1cccs1 ZINC000575612433 568879422 /nfs/dbraw/zinc/87/94/22/568879422.db2.gz FAFYUSPOCUJZSB-UHFFFAOYSA-N 0 0 445.488 4.106 50 0 IIAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2csc3ccccc23)CC1 ZINC000035343842 568880470 /nfs/dbraw/zinc/88/04/70/568880470.db2.gz CCADAKYLOAOWSO-UHFFFAOYSA-N 0 0 440.512 4.427 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(-c2cccs2)[nH]c1=O ZINC000063898204 568880571 /nfs/dbraw/zinc/88/05/71/568880571.db2.gz IYOKVKJUTGIHJD-UHFFFAOYSA-N 0 0 433.327 4.147 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000090503019 568886565 /nfs/dbraw/zinc/88/65/65/568886565.db2.gz UYOOAKVTKGXOCY-UHFFFAOYSA-N 0 0 438.534 4.159 50 0 IIAARN Cc1c(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593790 568889080 /nfs/dbraw/zinc/88/90/80/568889080.db2.gz VPCRDYFZDWHYES-SZNDQCEHSA-N 0 0 437.496 4.355 50 0 IIAARN Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000012980962 568893917 /nfs/dbraw/zinc/89/39/17/568893917.db2.gz PBYLVVICAQJNQW-UHFFFAOYSA-N 0 0 426.870 4.213 50 0 IIAARN Cc1ccc(CSc2nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000040052509 568896430 /nfs/dbraw/zinc/89/64/30/568896430.db2.gz KZAKTRAESAGCED-CJTWTEFWSA-N 0 0 438.578 4.295 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1F ZINC000012997979 568897229 /nfs/dbraw/zinc/89/72/29/568897229.db2.gz IOKDINLLKNXUQA-UHFFFAOYSA-N 0 0 443.906 4.409 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000013003181 568898525 /nfs/dbraw/zinc/89/85/25/568898525.db2.gz PAMATFVHWDZDHT-UQEGFRFESA-N 0 0 438.449 4.281 50 0 IIAARN COc1cc(CCC(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000013003944 568898770 /nfs/dbraw/zinc/89/87/70/568898770.db2.gz MSBSCMLMFSWGQH-MRXNPFEDSA-N 0 0 437.492 4.369 50 0 IIAARN COCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(OC)c(OC)c1 ZINC000013009080 568899722 /nfs/dbraw/zinc/89/97/22/568899722.db2.gz RYEISXDRGCQVGX-CQSZACIVSA-N 0 0 447.561 4.359 50 0 IIAARN CCCNC(=O)[C@H](C)SC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000013010531 568899949 /nfs/dbraw/zinc/89/99/49/568899949.db2.gz XEZVRUGJKMOMTI-IGWPVBGESA-N 0 0 447.944 4.333 50 0 IIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1nc(-c2ccccn2)no1 ZINC000253410366 568903147 /nfs/dbraw/zinc/90/31/47/568903147.db2.gz NGFCDRWSEYLGKU-SFHVURJKSA-N 0 0 435.915 4.119 50 0 IIAARN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1 ZINC000089274568 568909981 /nfs/dbraw/zinc/90/99/81/568909981.db2.gz FCHWKMRBAACKRA-INIZCTEOSA-N 0 0 445.972 4.097 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000238899403 568910081 /nfs/dbraw/zinc/91/00/81/568910081.db2.gz GHWZERDUGIUPIR-IYARVYRRSA-N 0 0 433.508 4.018 50 0 IIAARN C[C@H](NC(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000239432766 568911578 /nfs/dbraw/zinc/91/15/78/568911578.db2.gz WJFODFSQJVOHRF-WNSKOXEYSA-N 0 0 440.590 4.406 50 0 IIAARN CSCC[C@H](C(=O)Nc1cccc(OC2CCCC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000241775934 568912363 /nfs/dbraw/zinc/91/23/63/568912363.db2.gz RQKDKIOTCTZBHR-NJDAHSKKSA-N 0 0 444.597 4.243 50 0 IIAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000245328557 568915059 /nfs/dbraw/zinc/91/50/59/568915059.db2.gz UZPHINACJLIIRP-QEEHTWDDSA-N 0 0 443.330 4.137 50 0 IIAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000026790803 568917124 /nfs/dbraw/zinc/91/71/24/568917124.db2.gz IQLKKBQPVLFOBS-UHFFFAOYSA-N 0 0 448.704 4.371 50 0 IIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCc2ccccc2C1 ZINC000026802101 568917262 /nfs/dbraw/zinc/91/72/62/568917262.db2.gz SRMHEEVFBRGZIM-LJQANCHMSA-N 0 0 440.547 4.425 50 0 IIAARN COC(=O)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 ZINC000026850484 568919298 /nfs/dbraw/zinc/91/92/98/568919298.db2.gz FHQHMJRKRXUJPL-LLVKDONJSA-N 0 0 426.694 4.224 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064370041 568920065 /nfs/dbraw/zinc/92/00/65/568920065.db2.gz KBXVLSNAIFPHSB-UHFFFAOYSA-N 0 0 448.936 4.197 50 0 IIAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc6c(c5)OCCO6)n3n2)CCCC4)cc1 ZINC000064449975 568929074 /nfs/dbraw/zinc/92/90/74/568929074.db2.gz NXCPAHHZIFGKGW-UHFFFAOYSA-N 0 0 427.508 4.417 50 0 IIAARN CCCN1c2ccc(Br)cc2[C@@]2(NCCc3c4cc(OC)ccc4[nH]c32)C1=O ZINC000020064242 568930736 /nfs/dbraw/zinc/93/07/36/568930736.db2.gz ZYWWGESKJBBAGN-QFIPXVFZSA-N 0 0 440.341 4.085 50 0 biogenic IIAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035891640 568930930 /nfs/dbraw/zinc/93/09/30/568930930.db2.gz CHXODKVCLQUBLX-JOCHJYFZSA-N 0 0 433.552 4.309 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1C ZINC000064566099 568932797 /nfs/dbraw/zinc/93/27/97/568932797.db2.gz KZTHJHAFXLAQPS-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1C ZINC000064566168 568933042 /nfs/dbraw/zinc/93/30/42/568933042.db2.gz JXXSJELDLAHPSE-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000064590215 568935286 /nfs/dbraw/zinc/93/52/86/568935286.db2.gz CIEZNQRPIHSCEO-UHFFFAOYSA-N 0 0 437.540 4.100 50 0 IIAARN CCOc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064593823 568936148 /nfs/dbraw/zinc/93/61/48/568936148.db2.gz CYKJKQKKUCRTTM-QGZVFWFLSA-N 0 0 448.548 4.259 50 0 IIAARN Cc1nc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)oc1-c1ccc(Cl)cc1 ZINC000089557967 568937333 /nfs/dbraw/zinc/93/73/33/568937333.db2.gz CGXYCGJEHOFMGA-HNNXBMFYSA-N 0 0 427.936 4.443 50 0 IIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000089558937 568937363 /nfs/dbraw/zinc/93/73/63/568937363.db2.gz GFAJUOGMUADICC-CYBMUJFWSA-N 0 0 434.631 4.246 50 0 IIAARN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690132 568938581 /nfs/dbraw/zinc/93/85/81/568938581.db2.gz SRKGKCBQIXHYPJ-KSMMKXTCSA-N 0 0 430.574 4.143 50 0 IIAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000027026758 568939470 /nfs/dbraw/zinc/93/94/70/568939470.db2.gz QZLLDIPFQSKMLG-FQEVSTJZSA-N 0 0 437.858 4.475 50 0 IIAARN Cc1c(F)cccc1-n1nnc(C(=O)NCCc2ccc(Cl)cc2)c1-c1ccccn1 ZINC000064611101 568940023 /nfs/dbraw/zinc/94/00/23/568940023.db2.gz DVVDEHRZRWYTJS-UHFFFAOYSA-N 0 0 435.890 4.403 50 0 IIAARN CC(C)c1ccc(CNC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000064611307 568940046 /nfs/dbraw/zinc/94/00/46/568940046.db2.gz JPCOGRYWVJCTGC-UHFFFAOYSA-N 0 0 434.561 4.491 50 0 IIAARN COc1ccccc1CNS(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064610913 568940048 /nfs/dbraw/zinc/94/00/48/568940048.db2.gz LDGSRUAHNPQKAJ-UHFFFAOYSA-N 0 0 435.505 4.199 50 0 IIAARN Cc1cc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2ccccn2)ccc1F ZINC000064611090 568940087 /nfs/dbraw/zinc/94/00/87/568940087.db2.gz VIUZPHCXRHVDBR-UHFFFAOYSA-N 0 0 435.890 4.403 50 0 IIAARN Cc1cccc(N2CCN(c3ccc(-c4nc(-c5ccc(F)cc5)no4)nn3)CC2)c1C ZINC000064612605 568941844 /nfs/dbraw/zinc/94/18/44/568941844.db2.gz LEDBUZQJKAIECQ-UHFFFAOYSA-N 0 0 430.487 4.276 50 0 IIAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(F)ccc2C)CC3)cc1 ZINC000064660248 568942512 /nfs/dbraw/zinc/94/25/12/568942512.db2.gz FVOGFKJSPADEQX-UHFFFAOYSA-N 0 0 432.542 4.403 50 0 IIAARN Cc1cccc(CN2CCCn3nc(C(=O)N[C@@H]4CCCc5ccccc54)cc3C2=O)c1 ZINC000064665582 568942788 /nfs/dbraw/zinc/94/27/88/568942788.db2.gz GSSHZXBUBQNTNF-JOCHJYFZSA-N 0 0 428.536 4.045 50 0 IIAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703926 568944448 /nfs/dbraw/zinc/94/44/48/568944448.db2.gz HJMCZDXPPKWAMY-UHFFFAOYSA-N 0 0 432.569 4.160 50 0 IIAARN COCCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(C)c2)n1 ZINC000036064011 568944745 /nfs/dbraw/zinc/94/47/45/568944745.db2.gz DBPUOGWEXUUPCK-UHFFFAOYSA-N 0 0 446.551 4.085 50 0 IIAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000036063729 568944916 /nfs/dbraw/zinc/94/49/16/568944916.db2.gz IXYXTCWBTMYVHG-UHFFFAOYSA-N 0 0 440.931 4.414 50 0 IIAARN COCCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cc(C)ccc2C)n1 ZINC000036072395 568946049 /nfs/dbraw/zinc/94/60/49/568946049.db2.gz WBKXMZAZPJCAHL-UHFFFAOYSA-N 0 0 425.504 4.009 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083892 568947644 /nfs/dbraw/zinc/94/76/44/568947644.db2.gz WZFJOIKUBBVTCW-HSZRJFAPSA-N 0 0 438.524 4.294 50 0 IIAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)NCCc4cccs4)c3)n2)cc1 ZINC000064747808 568950433 /nfs/dbraw/zinc/95/04/33/568950433.db2.gz JTPZXSUXAUUBOK-UHFFFAOYSA-N 0 0 425.535 4.295 50 0 IIAARN Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4ccc(C)c(C)c4)ccc32)cc1 ZINC000064748016 568950593 /nfs/dbraw/zinc/95/05/93/568950593.db2.gz HFKQOZPEFBHBCO-UHFFFAOYSA-N 0 0 441.535 4.315 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)N[C@H](C)c4ccccc4)CC3=O)c2)cc1 ZINC000064754719 568951039 /nfs/dbraw/zinc/95/10/39/568951039.db2.gz SLQXCNADUMCQTC-KNQAVFIVSA-N 0 0 441.531 4.478 50 0 IIAARN CC(C)c1ccc(NC(=O)Cn2c(=O)cccc2C(=O)NCc2ccccc2Cl)cc1 ZINC000064755174 568951174 /nfs/dbraw/zinc/95/11/74/568951174.db2.gz OUBNKUOWQQZPJJ-UHFFFAOYSA-N 0 0 437.927 4.194 50 0 IIAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1cccc(C)c1 ZINC000036105699 568953523 /nfs/dbraw/zinc/95/35/23/568953523.db2.gz MWWHHMNJAMQSRG-UHFFFAOYSA-N 0 0 426.538 4.328 50 0 IIAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000064775754 568954887 /nfs/dbraw/zinc/95/48/87/568954887.db2.gz FREKMQSWAIEIEM-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776114 568955094 /nfs/dbraw/zinc/95/50/94/568955094.db2.gz KAFNMUCQPRERBZ-QHCPKHFHSA-N 0 0 442.563 4.321 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)=O ZINC000036118257 568955922 /nfs/dbraw/zinc/95/59/22/568955922.db2.gz HUOLXICHXZJFGU-XLIONFOSSA-N 0 0 444.597 4.156 50 0 IIAARN CCc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788101 568956485 /nfs/dbraw/zinc/95/64/85/568956485.db2.gz NWJYYDRIUBMLLA-DEOSSOPVSA-N 0 0 443.547 4.123 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(C)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788179 568956640 /nfs/dbraw/zinc/95/66/40/568956640.db2.gz CUMFFHJJZOPBHW-DEOSSOPVSA-N 0 0 443.547 4.177 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036120018 568956959 /nfs/dbraw/zinc/95/69/59/568956959.db2.gz NPGOIYWXOIGZJK-OAQYLSRUSA-N 0 0 428.598 4.456 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)cc1 ZINC000036119946 568956987 /nfs/dbraw/zinc/95/69/87/568956987.db2.gz FUCVQINBYDZBEF-NRFANRHFSA-N 0 0 426.582 4.208 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C(C)C)cc1 ZINC000036119876 568957124 /nfs/dbraw/zinc/95/71/24/568957124.db2.gz JZWFRMZZZWKPSR-NRFANRHFSA-N 0 0 426.582 4.208 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000036121378 568957868 /nfs/dbraw/zinc/95/78/68/568957868.db2.gz UDXZGENCHUCYTM-HXUWFJFHSA-N 0 0 432.561 4.285 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121225 568957883 /nfs/dbraw/zinc/95/78/83/568957883.db2.gz LEUMSAQHTBRYAU-NRFANRHFSA-N 0 0 432.561 4.287 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)NCC ZINC000036122546 568958154 /nfs/dbraw/zinc/95/81/54/568958154.db2.gz DWSDXQPVLWOPPQ-FQEVSTJZSA-N 0 0 443.613 4.311 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)NC(C)C ZINC000036123939 568958738 /nfs/dbraw/zinc/95/87/38/568958738.db2.gz FJIMMGHURTXBBO-IBGZPJMESA-N 0 0 429.586 4.001 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)cc1C ZINC000064792493 568959157 /nfs/dbraw/zinc/95/91/57/568959157.db2.gz RMJKBNBTIUGAOK-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN CC1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccc(Cl)cc2)CC1 ZINC000064792862 568959394 /nfs/dbraw/zinc/95/93/94/568959394.db2.gz CLPIGNLYKIZVFY-JOCHJYFZSA-N 0 0 448.958 4.036 50 0 IIAARN CCc1ccccc1NC(=O)CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792521 568959399 /nfs/dbraw/zinc/95/93/99/568959399.db2.gz NSGXZZLRJGSBIA-XMMPIXPASA-N 0 0 436.519 4.325 50 0 IIAARN CCCCCCNC(=O)CN1c2nnnn2[C@@H](c2ccc(C)cc2)C=C1c1ccccc1 ZINC000064793170 568959592 /nfs/dbraw/zinc/95/95/92/568959592.db2.gz GIFSJHNVFSWUJM-HSZRJFAPSA-N 0 0 430.556 4.129 50 0 IIAARN COCCn1c(SCc2cccc(OC)c2)nnc1-c1sc2ncccc2c1N ZINC000064794305 568959946 /nfs/dbraw/zinc/95/99/46/568959946.db2.gz BDIWOKZWZTVFHT-UHFFFAOYSA-N 0 0 427.555 4.084 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1OC ZINC000064797960 568960391 /nfs/dbraw/zinc/96/03/91/568960391.db2.gz YELBGKSIEGVWNJ-MRXNPFEDSA-N 0 0 443.546 4.462 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1O ZINC000064797911 568960419 /nfs/dbraw/zinc/96/04/19/568960419.db2.gz BQJOUXPSVXJIMF-OAHLLOKOSA-N 0 0 429.519 4.159 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC ZINC000064798388 568960508 /nfs/dbraw/zinc/96/05/08/568960508.db2.gz ISAKNHSYFYHGPW-INIZCTEOSA-N 0 0 443.546 4.381 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c(OC)c1 ZINC000064798617 568960539 /nfs/dbraw/zinc/96/05/39/568960539.db2.gz KFNVIFQVMVSANA-QGZVFWFLSA-N 0 0 443.546 4.381 50 0 IIAARN O=c1[nH]c(CN(Cc2ccco2)C[C@H](O)Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000036156609 568965331 /nfs/dbraw/zinc/96/53/31/568965331.db2.gz FMVMMAVZSCSCQO-GOSISDBHSA-N 0 0 449.576 4.062 50 0 IIAARN CCCNC(=O)c1ccc2c(c1)nc(N(C)Cc1ccccc1)n(-c1ccccc1)c2=O 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CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000064944335 568993260 /nfs/dbraw/zinc/99/32/60/568993260.db2.gz QSRGRPSOUGXFKA-UHFFFAOYSA-N 0 0 441.582 4.256 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1 ZINC000064944172 568993271 /nfs/dbraw/zinc/99/32/71/568993271.db2.gz LWQVESBTVAJITR-UHFFFAOYSA-N 0 0 429.571 4.206 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)cc1 ZINC000064945057 568993351 /nfs/dbraw/zinc/99/33/51/568993351.db2.gz RVUDDUAGLTYNSJ-UHFFFAOYSA-N 0 0 442.928 4.260 50 0 IIAARN O=C(CSc1ccc(NCc2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000064945068 568993397 /nfs/dbraw/zinc/99/33/97/568993397.db2.gz PTAFWDKOWRUWBJ-UHFFFAOYSA-N 0 0 442.928 4.244 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000064948536 568994588 /nfs/dbraw/zinc/99/45/88/568994588.db2.gz XEDWNHZZRGJCBS-UHFFFAOYSA-N 0 0 438.509 4.418 50 0 IIAARN Cc1nnc2c(SCC(=O)Nc3ccccc3Br)nc3ccccc3n12 ZINC000064948973 568994636 /nfs/dbraw/zinc/99/46/36/568994636.db2.gz 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CCC(=O)c1c(C)n(CC(=O)NCc2cc3c(cc2OC)OCCCO3)c2ccccc21 ZINC000064987205 569082374 /nfs/dbraw/zinc/08/23/74/569082374.db2.gz KVPPUWKFAOYMNO-UHFFFAOYSA-N 0 0 436.508 4.029 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C ZINC000064987244 569082448 /nfs/dbraw/zinc/08/24/48/569082448.db2.gz QHQGUFPURANSLZ-UHFFFAOYSA-N 0 0 444.944 4.336 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O)C1CCCCC1 ZINC000064987670 569082688 /nfs/dbraw/zinc/08/26/88/569082688.db2.gz FNCQCIMIKVLEEI-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(OC)c4)ccc3C[C@H]2C)cc1 ZINC000064990125 569083148 /nfs/dbraw/zinc/08/31/48/569083148.db2.gz AQYSPGMJYBIYFU-QGZVFWFLSA-N 0 0 430.504 4.225 50 0 biogenic IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4OC)cc32)cc1 ZINC000064990699 569083464 /nfs/dbraw/zinc/08/34/64/569083464.db2.gz NFVMWFCPHZIFPW-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(OC)c4)cc32)cc1 ZINC000064990701 569083481 /nfs/dbraw/zinc/08/34/81/569083481.db2.gz HUXZGDPEVRULSV-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1F ZINC000064988779 569083671 /nfs/dbraw/zinc/08/36/71/569083671.db2.gz YSDVVMANNZTQPM-UHFFFAOYSA-N 0 0 428.483 4.207 50 0 IIAARN Cn1cnc2c(C(=O)Nc3cccc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3)c2c1=O ZINC000064991848 569084367 /nfs/dbraw/zinc/08/43/67/569084367.db2.gz ZPGIRRGVRGZRCI-UHFFFAOYSA-N 0 0 447.804 4.044 50 0 IIAARN CC(C)CNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006835259 569084617 /nfs/dbraw/zinc/08/46/17/569084617.db2.gz NPLUPUVWWYFOHO-GFBDMGBSSA-N 0 0 426.479 4.225 50 0 IIAARN COC(=O)c1c(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)c(C)nn1C ZINC000036358055 569084822 /nfs/dbraw/zinc/08/48/22/569084822.db2.gz QJRMMQBSQCRGAH-UHFFFAOYSA-N 0 0 426.860 4.017 50 0 IIAARN COc1ccccc1CNC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000073 569085786 /nfs/dbraw/zinc/08/57/86/569085786.db2.gz GVLNNVKPCLMFQB-UHFFFAOYSA-N 0 0 448.494 4.070 50 0 IIAARN CCOc1ccc(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000819 569086037 /nfs/dbraw/zinc/08/60/37/569086037.db2.gz KQLBCPKPWDLTDZ-UHFFFAOYSA-N 0 0 444.531 4.321 50 0 IIAARN Cc1ccc(-c2ccc(Nc3ccc(F)cc3F)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009137 569087904 /nfs/dbraw/zinc/08/79/04/569087904.db2.gz MFJLHEVHBWHJBT-UHFFFAOYSA-N 0 0 430.480 4.258 50 0 IIAARN Cc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCc2ccccc2Cl)n1 ZINC000065024712 569089761 /nfs/dbraw/zinc/08/97/61/569089761.db2.gz RBVMZXAYOJXJCE-UHFFFAOYSA-N 0 0 426.835 4.081 50 0 IIAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000065024907 569089785 /nfs/dbraw/zinc/08/97/85/569089785.db2.gz LTOQDBHBGQRHMY-UHFFFAOYSA-N 0 0 440.862 4.335 50 0 IIAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c2cc(OC)ccc2n1 ZINC000065033167 569091720 /nfs/dbraw/zinc/09/17/20/569091720.db2.gz TWSNXSJSSBIMIW-UHFFFAOYSA-N 0 0 434.370 4.066 50 0 IIAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000065031680 569091746 /nfs/dbraw/zinc/09/17/46/569091746.db2.gz AZFJLOVZNFHEHK-INIZCTEOSA-N 0 0 427.460 4.474 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(F)cc4Cl)C3)n[nH]2)cc1 ZINC000169755689 569093560 /nfs/dbraw/zinc/09/35/60/569093560.db2.gz QVIAMZHOLDSRQV-INIZCTEOSA-N 0 0 428.895 4.277 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4nccc5ccccc54)C3)n[nH]2)cc1 ZINC000169753679 569093588 /nfs/dbraw/zinc/09/35/88/569093588.db2.gz ALVXYUXGDZFFPB-LJQANCHMSA-N 0 0 427.508 4.032 50 0 IIAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(-c2ccc(F)cc2)n1 ZINC000169756982 569093911 /nfs/dbraw/zinc/09/39/11/569093911.db2.gz PKNWBOSZPOTBNE-UHFFFAOYSA-N 0 0 429.879 4.303 50 0 IIAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O ZINC000169756955 569093977 /nfs/dbraw/zinc/09/39/77/569093977.db2.gz KXLNHQWYRJYRNQ-UHFFFAOYSA-N 0 0 441.915 4.090 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1 ZINC000169760255 569094563 /nfs/dbraw/zinc/09/45/63/569094563.db2.gz KDJWGNIANRBYPN-UHFFFAOYSA-N 0 0 426.520 4.292 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1OC ZINC000169759683 569094694 /nfs/dbraw/zinc/09/46/94/569094694.db2.gz LBBYVAHERHRYJP-FPTDNZKUSA-N 0 0 441.915 4.316 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)C3CCC3)C2)cc1OC ZINC000006873717 569094767 /nfs/dbraw/zinc/09/47/67/569094767.db2.gz BVGJWTOQWMFXJX-FQEVSTJZSA-N 0 0 426.488 4.165 50 0 IIAARN Cc1noc2nc(CCC(=O)NCc3ccc(Cl)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056640 569094958 /nfs/dbraw/zinc/09/49/58/569094958.db2.gz OGMPAZOMHFJFNQ-GJZGRUSLSA-N 0 0 441.963 4.311 50 0 IIAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cc(Cl)ccc3OC)C2)c1 ZINC000065058809 569095555 /nfs/dbraw/zinc/09/55/55/569095555.db2.gz OTORUBRWBPJAJU-HSZRJFAPSA-N 0 0 445.947 4.308 50 0 IIAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000065059363 569096088 /nfs/dbraw/zinc/09/60/88/569096088.db2.gz QMOMAPOXJLYMGQ-JOCHJYFZSA-N 0 0 434.989 4.064 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCC2 ZINC000169765602 569097102 /nfs/dbraw/zinc/09/71/02/569097102.db2.gz IJZDAWXIFKHAOU-UHFFFAOYSA-N 0 0 425.916 4.197 50 0 IIAARN Cc1ccc(CNC(=O)c2cccn(-c3ccc(NC(=O)c4ccccc4)cc3)c2=O)cc1 ZINC000065062809 569097270 /nfs/dbraw/zinc/09/72/70/569097270.db2.gz BAFUKSAUUVDEDF-UHFFFAOYSA-N 0 0 437.499 4.328 50 0 IIAARN Cc1cccn2c(=O)cc(CSc3nc4sc(-c5ccccc5)cc4c(=O)n3C)nc12 ZINC000036391535 569097436 /nfs/dbraw/zinc/09/74/36/569097436.db2.gz HQVGCPABAVDPTN-UHFFFAOYSA-N 0 0 446.557 4.271 50 0 IIAARN CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc1 ZINC000065063590 569097544 /nfs/dbraw/zinc/09/75/44/569097544.db2.gz MORHKCBLOSMTEB-UHFFFAOYSA-N 0 0 439.537 4.350 50 0 IIAARN CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1 ZINC000065063511 569097582 /nfs/dbraw/zinc/09/75/82/569097582.db2.gz IFBNUFJZHWXRCD-UHFFFAOYSA-N 0 0 425.510 4.041 50 0 IIAARN CCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063334 569097898 /nfs/dbraw/zinc/09/78/98/569097898.db2.gz ZGQUOORNAAZKKX-UHFFFAOYSA-N 0 0 445.928 4.468 50 0 IIAARN COc1ccc([C@H]2Cn3nnc(-c4noc(-c5cc(F)ccc5Cl)n4)c3CO2)cc1 ZINC000169769055 569098168 /nfs/dbraw/zinc/09/81/68/569098168.db2.gz PDGUOKKPNZFOQY-QGZVFWFLSA-N 0 0 427.823 4.068 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccc2I)c1 ZINC000036394279 569098638 /nfs/dbraw/zinc/09/86/38/569098638.db2.gz OWOBJEDTAYEWLN-KRWDZBQOSA-N 0 0 437.277 4.286 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC3CC3)cc2)c1 ZINC000065074560 569098972 /nfs/dbraw/zinc/09/89/72/569098972.db2.gz OEHJVSIEDQFEEG-UHFFFAOYSA-N 0 0 437.521 4.184 50 0 IIAARN COc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075009 569099425 /nfs/dbraw/zinc/09/94/25/569099425.db2.gz RJHKZKGGVVMNPK-HHHXNRCGSA-N 0 0 428.532 4.277 50 0 IIAARN O=C(CCn1nnc2cc(-c3noc(-c4ccccc4F)n3)ccc21)N1CCCCCC1 ZINC000065076153 569100112 /nfs/dbraw/zinc/10/01/12/569100112.db2.gz IALYXMONDWXIJG-UHFFFAOYSA-N 0 0 434.475 4.080 50 0 IIAARN Cc1cc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(C)c1 ZINC000065077916 569100798 /nfs/dbraw/zinc/10/07/98/569100798.db2.gz MSJIJGOOWAOVGT-INIZCTEOSA-N 0 0 446.594 4.237 50 0 IIAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(C)=O)cc4)csc3n2)cc1OC ZINC000065079385 569100818 /nfs/dbraw/zinc/10/08/18/569100818.db2.gz YUICCAYMOZNJBD-UHFFFAOYSA-N 0 0 435.505 4.464 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)sc12 ZINC000065081431 569101458 /nfs/dbraw/zinc/10/14/58/569101458.db2.gz CGTVMBXOJNVCKP-GOSISDBHSA-N 0 0 449.555 4.462 50 0 IIAARN Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000169773164 569101781 /nfs/dbraw/zinc/10/17/81/569101781.db2.gz OCQKHZSCNZXUTR-INIZCTEOSA-N 0 0 431.349 4.425 50 0 IIAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000169774006 569102057 /nfs/dbraw/zinc/10/20/57/569102057.db2.gz AYUJPDINVOVRNU-QGZVFWFLSA-N 0 0 438.940 4.300 50 0 IIAARN Cc1ccccc1-n1nnc(C(=O)NCc2cccc(Br)c2)c1-c1ccncc1 ZINC000065083276 569102162 /nfs/dbraw/zinc/10/21/62/569102162.db2.gz JLOGQGOSSCXCTH-UHFFFAOYSA-N 0 0 448.324 4.330 50 0 IIAARN COc1ccc(Cl)cc1-n1nnc(C(=O)NCCc2cccs2)c1-c1ccncc1 ZINC000065083190 569102200 /nfs/dbraw/zinc/10/22/00/569102200.db2.gz XSYCSTDAIBCBMT-UHFFFAOYSA-N 0 0 439.928 4.025 50 0 IIAARN O=C(NCc1ccc(F)cc1Cl)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000065083056 569102211 /nfs/dbraw/zinc/10/22/11/569102211.db2.gz ZZIMWFQEUHVJNO-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN O=C(NCc1nnc2ccc(-c3ccc(Cl)cc3)nn21)c1cccc(Br)c1 ZINC000169778503 569102753 /nfs/dbraw/zinc/10/27/53/569102753.db2.gz ZWLDTJOYENOJQF-UHFFFAOYSA-N 0 0 442.704 4.137 50 0 IIAARN COc1cc(/C=C/C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc(OC)c1OC ZINC000207970668 569104231 /nfs/dbraw/zinc/10/42/31/569104231.db2.gz NZNNDMPGTUPJCZ-SRLUVNLFSA-N 0 0 439.533 4.185 50 0 IIAARN O=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCc2ccccc2C1 ZINC000065098070 569104593 /nfs/dbraw/zinc/10/45/93/569104593.db2.gz AXORNHCZZNUCDI-UHFFFAOYSA-N 0 0 441.509 4.351 50 0 IIAARN CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099454 569105190 /nfs/dbraw/zinc/10/51/90/569105190.db2.gz WEBLXGOOQZDLMJ-UHFFFAOYSA-N 0 0 432.553 4.121 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)cc1F ZINC000065099532 569105205 /nfs/dbraw/zinc/10/52/05/569105205.db2.gz OHRUBRIPPKSRCW-UHFFFAOYSA-N 0 0 436.516 4.061 50 0 IIAARN CCn1c(SCC(=O)N(C)c2cccc(C)c2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099770 569105277 /nfs/dbraw/zinc/10/52/77/569105277.db2.gz BOPQZTWAWODWJN-UHFFFAOYSA-N 0 0 434.525 4.079 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065106080 569106261 /nfs/dbraw/zinc/10/62/61/569106261.db2.gz FIOJAMFDWSIOOQ-UHFFFAOYSA-N 0 0 428.286 4.230 50 0 IIAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2ccccc2Cl)c1 ZINC000065116257 569107303 /nfs/dbraw/zinc/10/73/03/569107303.db2.gz BKSJEUOCMBXJRU-UHFFFAOYSA-N 0 0 447.944 4.303 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1 ZINC000065112099 569107953 /nfs/dbraw/zinc/10/79/53/569107953.db2.gz NIUOYAUTJMUSCN-UHFFFAOYSA-N 0 0 439.871 4.237 50 0 IIAARN Cc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4F)c3=O)n2)cc1C ZINC000065112821 569108292 /nfs/dbraw/zinc/10/82/92/569108292.db2.gz CMDIXXIBMQVGIF-UHFFFAOYSA-N 0 0 448.479 4.068 50 0 IIAARN Cc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4C)c3=O)n2)cc1C ZINC000065112795 569108312 /nfs/dbraw/zinc/10/83/12/569108312.db2.gz RKLODVIMZJMILZ-UHFFFAOYSA-N 0 0 444.516 4.237 50 0 IIAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)cc(C)c3)c2c1=O ZINC000065113523 569108429 /nfs/dbraw/zinc/10/84/29/569108429.db2.gz YFVROEHPSVOZGJ-UHFFFAOYSA-N 0 0 444.535 4.157 50 0 IIAARN CCOc1cccc(-c2noc(-c3nn(-c4cccc(Br)c4)ccc3=O)n2)c1 ZINC000065129652 569108633 /nfs/dbraw/zinc/10/86/33/569108633.db2.gz JQMVICVVOLSNRJ-UHFFFAOYSA-N 0 0 439.269 4.111 50 0 IIAARN O=C(c1cc2c(ccn(Cc3ccccc3)c2=O)s1)N1CCN(c2ccccc2)CC1 ZINC000065119202 569108646 /nfs/dbraw/zinc/10/86/46/569108646.db2.gz BZJFEGYCFPXFRL-UHFFFAOYSA-N 0 0 429.545 4.074 50 0 IIAARN CCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)o1 ZINC000065117923 569108930 /nfs/dbraw/zinc/10/89/30/569108930.db2.gz QUIFCKGLJCTWIF-UHFFFAOYSA-N 0 0 438.557 4.160 50 0 IIAARN COc1cccc(CNC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 ZINC000065133141 569109977 /nfs/dbraw/zinc/10/99/77/569109977.db2.gz WUXLAVMNEWWKQU-UHFFFAOYSA-N 0 0 428.945 4.159 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4cccc(F)c4)n3)C2)c(OC)c1 ZINC000065148351 569110838 /nfs/dbraw/zinc/11/08/38/569110838.db2.gz GMONVCNYHOMYGE-MRXNPFEDSA-N 0 0 436.487 4.396 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cccc2-c2nc(-c3ccccc3F)no2)c(C)c1 ZINC000065150330 569111080 /nfs/dbraw/zinc/11/10/80/569111080.db2.gz NABGQWGIBLRZDR-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN Cc1ccc(NC(=O)CSc2nccc(N3CCN(c4cc(C)ccc4C)CC3)n2)cc1 ZINC000065151254 569111790 /nfs/dbraw/zinc/11/17/90/569111790.db2.gz DVTJSIJFIGLBER-UHFFFAOYSA-N 0 0 447.608 4.459 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c(C)c1 ZINC000065154289 569112244 /nfs/dbraw/zinc/11/22/44/569112244.db2.gz OWVLGEMQRALWDI-UHFFFAOYSA-N 0 0 428.492 4.493 50 0 IIAARN CSc1cccc(NC(=O)CN2c3ccccc3[C@](O)(c3cccc(Cl)c3)C2=O)c1 ZINC000065155473 569112418 /nfs/dbraw/zinc/11/24/18/569112418.db2.gz ZPIYYMLUOSUNPK-HSZRJFAPSA-N 0 0 438.936 4.283 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1csc(-c2ccc(N3CCOCC3)nc2)n1 ZINC000065165411 569112965 /nfs/dbraw/zinc/11/29/65/569112965.db2.gz KETCRZYDCARLHX-UHFFFAOYSA-N 0 0 445.342 4.057 50 0 IIAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H](COc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000065179276 569113559 /nfs/dbraw/zinc/11/35/59/569113559.db2.gz UJDMNTMIUYSDQC-QGZVFWFLSA-N 0 0 426.944 4.092 50 0 IIAARN COc1cc(Cl)ccc1C(=O)N1CCC(COc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000065180298 569113690 /nfs/dbraw/zinc/11/36/90/569113690.db2.gz SZPUATHLZOZNTG-UHFFFAOYSA-N 0 0 444.959 4.418 50 0 IIAARN O=C(CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1Cl ZINC000065184173 569114098 /nfs/dbraw/zinc/11/40/98/569114098.db2.gz MTUCRKAUTLNBLY-UHFFFAOYSA-N 0 0 432.858 4.486 50 0 IIAARN CCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000065185198 569114124 /nfs/dbraw/zinc/11/41/24/569114124.db2.gz PREMSTVXJBJFBL-UHFFFAOYSA-N 0 0 426.929 4.341 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(F)c(F)c3)cccn12 ZINC000065185260 569114179 /nfs/dbraw/zinc/11/41/79/569114179.db2.gz VDVMFQCVDKDXAI-UHFFFAOYSA-N 0 0 442.491 4.274 50 0 IIAARN COc1ccccc1C(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178440 569114393 /nfs/dbraw/zinc/11/43/93/569114393.db2.gz HPWCUSYDMRDORW-HXUWFJFHSA-N 0 0 436.552 4.253 50 0 IIAARN Cc1ccc(C)c(-n2ccn(Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)c(=O)c2=O)c1 ZINC000065198553 569114948 /nfs/dbraw/zinc/11/49/48/569114948.db2.gz VIROKVIDRCNHFF-UHFFFAOYSA-N 0 0 430.508 4.012 50 0 IIAARN Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000065195017 569115323 /nfs/dbraw/zinc/11/53/23/569115323.db2.gz WCVGLSBZGXRLLD-UHFFFAOYSA-N 0 0 434.427 4.328 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1cc(F)ccc1Cl ZINC000065209376 569116126 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O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273128 569129412 /nfs/dbraw/zinc/12/94/12/569129412.db2.gz MQOZTTSVYPNOCZ-OAHLLOKOSA-N 0 0 426.538 4.237 50 0 IIAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1 ZINC000065273461 569129646 /nfs/dbraw/zinc/12/96/46/569129646.db2.gz NWXSYGSNHQWYRT-SFHVURJKSA-N 0 0 440.613 4.069 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(C)c(C)c4)nc32)cc1 ZINC000065293945 569130955 /nfs/dbraw/zinc/13/09/55/569130955.db2.gz WXTPCKZZMJKGGS-UHFFFAOYSA-N 0 0 449.580 4.168 50 0 IIAARN CCc1ccc(CNC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000065293971 569131081 /nfs/dbraw/zinc/13/10/81/569131081.db2.gz WGKYBUYYZQUCAE-UHFFFAOYSA-N 0 0 449.580 4.114 50 0 IIAARN O=C(c1ccn2c(c1)nnc2-c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065296222 569131625 /nfs/dbraw/zinc/13/16/25/569131625.db2.gz HJXAUNHNNWEEJC-UHFFFAOYSA-N 0 0 435.890 4.151 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)c1 ZINC000065297247 569131709 /nfs/dbraw/zinc/13/17/09/569131709.db2.gz DOQWIPHPSUKDIV-UHFFFAOYSA-N 0 0 447.564 4.070 50 0 IIAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)NCc3cc(F)cc(F)c3)CC2)n1 ZINC000065301409 569132245 /nfs/dbraw/zinc/13/22/45/569132245.db2.gz HOVWZRUONOEDIM-UHFFFAOYSA-N 0 0 430.524 4.373 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000065315487 569134139 /nfs/dbraw/zinc/13/41/39/569134139.db2.gz RTKHQJNMXUODNY-ROUUACIJSA-N 0 0 437.544 4.489 50 0 IIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3C)n(C(C)C)c(=O)c2s1 ZINC000065319435 569134906 /nfs/dbraw/zinc/13/49/06/569134906.db2.gz WVCAKJADJUFKEG-UHFFFAOYSA-N 0 0 445.614 4.319 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314009 569135336 /nfs/dbraw/zinc/13/53/36/569135336.db2.gz DFUKMFHQXGUHJA-JOCHJYFZSA-N 0 0 430.552 4.270 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000065315088 569135714 /nfs/dbraw/zinc/13/57/14/569135714.db2.gz QSHNUAZWMBLGBF-UHFFFAOYSA-N 0 0 429.586 4.224 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000065320485 569136115 /nfs/dbraw/zinc/13/61/15/569136115.db2.gz KGJYCLXUVCEQCA-QGZVFWFLSA-N 0 0 427.888 4.313 50 0 IIAARN O=C(c1ccccc1SC(F)F)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238812295 569136449 /nfs/dbraw/zinc/13/64/49/569136449.db2.gz APEJVCNJZLKZKB-LLVKDONJSA-N 0 0 429.286 4.452 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cn(CCOc3ccccc3C)c3ccccc23)S1 ZINC000065322493 569136783 /nfs/dbraw/zinc/13/67/83/569136783.db2.gz JYPHGRCECVGHII-QFIPXVFZSA-N 0 0 436.537 4.030 50 0 IIAARN COC(=O)c1ccccc1Nc1c(-c2ccc(O)cc2)nc2cnc(Br)cn21 ZINC000065331626 569137335 /nfs/dbraw/zinc/13/73/35/569137335.db2.gz KEZRAFCJQMRPRY-UHFFFAOYSA-N 0 0 439.269 4.395 50 0 IIAARN Cc1sc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)nc1-c1ccc(Cl)cc1 ZINC000065515377 569138982 /nfs/dbraw/zinc/13/89/82/569138982.db2.gz GYXQRMAYIGAJOS-UHFFFAOYSA-N 0 0 438.940 4.107 50 0 IIAARN Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(F)c(NC(=O)c4ccsc4)c3)C2)n1 ZINC000065593052 569140026 /nfs/dbraw/zinc/14/00/26/569140026.db2.gz XPOUHEQDMRXHSQ-CYBMUJFWSA-N 0 0 429.477 4.242 50 0 IIAARN CCC(=O)Nc1ccc(C)c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000170593745 569141113 /nfs/dbraw/zinc/14/11/13/569141113.db2.gz QMDANHBWLWRYRU-IBGZPJMESA-N 0 0 448.445 4.067 50 0 IIAARN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2cc3ccccc3o2)C1(C)C ZINC000170602296 569143286 /nfs/dbraw/zinc/14/32/86/569143286.db2.gz LWZZSISHVDMESO-DVECYGJZSA-N 0 0 430.545 4.190 50 0 IIAARN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2cc3ccccc3o2)C1(C)C ZINC000170602297 569143288 /nfs/dbraw/zinc/14/32/88/569143288.db2.gz LWZZSISHVDMESO-CYFREDJKSA-N 0 0 430.545 4.190 50 0 IIAARN CC(=O)Nc1cccc(-n2cnnc2SCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000170605582 569143752 /nfs/dbraw/zinc/14/37/52/569143752.db2.gz CGPYPLJYRXBBIG-UHFFFAOYSA-N 0 0 445.589 4.355 50 0 IIAARN CC(=O)Nc1ccc(CCNC(=O)Nc2cc(Br)cc3nc(C)oc32)cc1 ZINC000170609518 569144795 /nfs/dbraw/zinc/14/47/95/569144795.db2.gz XHKRQANWMQPSFC-UHFFFAOYSA-N 0 0 431.290 4.221 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037281305 569146172 /nfs/dbraw/zinc/14/61/72/569146172.db2.gz FMQLOVPFOHRLKX-DNQXCXABSA-N 0 0 438.543 4.392 50 0 IIAARN CCO[C@@H](CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000170615156 569146574 /nfs/dbraw/zinc/14/65/74/569146574.db2.gz HFGOJHAFDMKNOF-PMACEKPBSA-N 0 0 434.989 4.086 50 0 IIAARN COc1cccc(CNc2cccc(S(=O)(=O)NCc3ccco3)c2)c1OC(C)C ZINC000170615996 569146721 /nfs/dbraw/zinc/14/67/21/569146721.db2.gz JYLDBDUKVPDCFH-UHFFFAOYSA-N 0 0 430.526 4.166 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3ccsc3)C2)c1 ZINC000170618451 569146999 /nfs/dbraw/zinc/14/69/99/569146999.db2.gz CIZCEWZNHVMIGN-FQEVSTJZSA-N 0 0 443.525 4.250 50 0 IIAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3C[C@@H](c4ccccc4Cl)OC[C@@H]3C)cc21 ZINC000170625001 569148270 /nfs/dbraw/zinc/14/82/70/569148270.db2.gz WLSXCONGHQYKJL-RBZFPXEDSA-N 0 0 444.915 4.449 50 0 IIAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3C[C@H](c4ccccc4Cl)OC[C@H]3C)cc21 ZINC000170625002 569148289 /nfs/dbraw/zinc/14/82/89/569148289.db2.gz WLSXCONGHQYKJL-ZUOKHONESA-N 0 0 444.915 4.449 50 0 IIAARN Cc1ccccc1-n1nc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000170625243 569148417 /nfs/dbraw/zinc/14/84/17/569148417.db2.gz ZUJRLCWNDAWDRD-HXUWFJFHSA-N 0 0 430.335 4.440 50 0 IIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000170626310 569148622 /nfs/dbraw/zinc/14/86/22/569148622.db2.gz UMBSOPQSCHJUJT-UHFFFAOYSA-N 0 0 449.935 4.065 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000009869978 569149362 /nfs/dbraw/zinc/14/93/62/569149362.db2.gz SYZKENPTIYBDKO-UHFFFAOYSA-N 0 0 430.508 4.257 50 0 IIAARN O=C(c1ccccc1CCc1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009882162 569149572 /nfs/dbraw/zinc/14/95/72/569149572.db2.gz HQCNOXZOLRJLLN-XMMPIXPASA-N 0 0 433.573 4.301 50 0 IIAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009882556 569149687 /nfs/dbraw/zinc/14/96/87/569149687.db2.gz YJUGJZIRWRGWGA-UHFFFAOYSA-N 0 0 445.540 4.306 50 0 IIAARN CCOc1ccc(CCNC(=O)CSCCCOc2ccc(OC)cc2)cc1OCC ZINC000009882401 569149705 /nfs/dbraw/zinc/14/97/05/569149705.db2.gz VWCPGIMDHNPQCY-UHFFFAOYSA-N 0 0 447.597 4.354 50 0 IIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000009883764 569150132 /nfs/dbraw/zinc/15/01/32/569150132.db2.gz WEHGKPHUEXHGGM-MRXNPFEDSA-N 0 0 426.900 4.369 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(-c4ccco4)n3N)ccc21 ZINC000009884175 569150364 /nfs/dbraw/zinc/15/03/64/569150364.db2.gz MLHAZNFEPPFHFE-CQSZACIVSA-N 0 0 446.536 4.499 50 0 IIAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000009910788 569150597 /nfs/dbraw/zinc/15/05/97/569150597.db2.gz DDSBKVYPJUIOLA-UHFFFAOYSA-N 0 0 429.451 4.153 50 0 IIAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(CC(=O)OCC)cs3)s2)ccn1 ZINC000071283371 569150681 /nfs/dbraw/zinc/15/06/81/569150681.db2.gz CQGITSYFQFZYTP-UHFFFAOYSA-N 0 0 430.555 4.280 50 0 IIAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1nc2ccccc2s1 ZINC000010060230 569152468 /nfs/dbraw/zinc/15/24/68/569152468.db2.gz XAXVGDOULFBVEM-UHFFFAOYSA-N 0 0 428.564 4.204 50 0 IIAARN COc1ccc(SCCC(=O)N2CCN(c3nc4c(cccc4F)s3)CC2)cc1 ZINC000010219646 569153702 /nfs/dbraw/zinc/15/37/02/569153702.db2.gz HGWXJIOUUAKMMQ-UHFFFAOYSA-N 0 0 431.558 4.275 50 0 IIAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 ZINC000013295087 569154860 /nfs/dbraw/zinc/15/48/60/569154860.db2.gz YLBVFSPHIHSTGZ-OAHLLOKOSA-N 0 0 433.512 4.020 50 0 IIAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 ZINC000013375944 569155365 /nfs/dbraw/zinc/15/53/65/569155365.db2.gz BATVBXTYVPVEBL-IJEWVQPXSA-N 0 0 441.553 4.049 50 0 IIAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013705799 569156669 /nfs/dbraw/zinc/15/66/69/569156669.db2.gz XJUZFWAXAWSGJJ-UHFFFAOYSA-N 0 0 443.294 4.299 50 0 IIAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)Nc1ccc(Cl)cc1 ZINC000013706658 569156782 /nfs/dbraw/zinc/15/67/82/569156782.db2.gz CIIGQADVZSNKJX-UHFFFAOYSA-N 0 0 443.294 4.299 50 0 IIAARN CCOc1ccc(-c2cc(=O)n(CC(=O)NC(c3ccccc3)c3ccccc3)cn2)cc1 ZINC000013809224 569157138 /nfs/dbraw/zinc/15/71/38/569157138.db2.gz MRFMORNBHNTFDH-UHFFFAOYSA-N 0 0 439.515 4.215 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S ZINC000014181349 569158101 /nfs/dbraw/zinc/15/81/01/569158101.db2.gz RCFZFNRMIZWNIX-UHFFFAOYSA-N 0 0 446.580 4.425 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1C ZINC000014267267 569158380 /nfs/dbraw/zinc/15/83/80/569158380.db2.gz NGNKYSIFYGOQLS-WXTAPIANSA-N 0 0 429.520 4.101 50 0 IIAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC(F)F ZINC000016740744 569160839 /nfs/dbraw/zinc/16/08/39/569160839.db2.gz OHWXHVYIROIGDT-IBGZPJMESA-N 0 0 441.438 4.124 50 0 IIAARN COc1cccc(-c2nnc(CN3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662140 569160925 /nfs/dbraw/zinc/16/09/25/569160925.db2.gz IMVYGSMOAAUUMT-VQTJNVASSA-N 0 0 442.560 4.499 50 0 IIAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1 ZINC000016842338 569163505 /nfs/dbraw/zinc/16/35/05/569163505.db2.gz OFGRHXDAGKXYLL-UHFFFAOYSA-N 0 0 431.883 4.477 50 0 IIAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)NCc1ccc(Cl)cc1 ZINC000016843858 569163736 /nfs/dbraw/zinc/16/37/36/569163736.db2.gz APIDSKPMDSYWGC-UHFFFAOYSA-N 0 0 429.904 4.283 50 0 IIAARN COc1ccc(C(=O)[C@H]2CCCN2C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 ZINC000089802196 569165144 /nfs/dbraw/zinc/16/51/44/569165144.db2.gz RVVVVWJHDYLVGS-OAQYLSRUSA-N 0 0 426.488 4.306 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1N)c1ccc2ccccc2c1 ZINC000089905132 569167126 /nfs/dbraw/zinc/16/71/26/569167126.db2.gz GZHFNZDLROHSNA-AWEZNQCLSA-N 0 0 437.956 4.435 50 0 IIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000016960782 569168297 /nfs/dbraw/zinc/16/82/97/569168297.db2.gz JORHQPCNMXNAIF-UHFFFAOYSA-N 0 0 445.566 4.122 50 0 IIAARN Cc1cc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2cc1C ZINC000017025701 569170986 /nfs/dbraw/zinc/17/09/86/569170986.db2.gz DAEFHFLRCMIJSB-HNNXBMFYSA-N 0 0 435.596 4.157 50 0 IIAARN COc1ccc(C)cc1NC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000017026238 569171087 /nfs/dbraw/zinc/17/10/87/569171087.db2.gz VLPBSUAQFLWMGN-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Br ZINC000000944417 569176424 /nfs/dbraw/zinc/17/64/24/569176424.db2.gz PYZJFFHQCPLHKV-UHFFFAOYSA-N 0 0 441.366 4.024 50 0 IIAARN COc1ccccc1-c1nc(NCc2ccccn2)nc2nn(-c3ccc(F)cc3)c(N)c21 ZINC000037358700 569176431 /nfs/dbraw/zinc/17/64/31/569176431.db2.gz LENQBRYOPAMKSF-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN CC(C)CCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002100955 569177087 /nfs/dbraw/zinc/17/70/87/569177087.db2.gz OJATVTJDPVKGII-JJEOQYAHSA-N 0 0 444.553 4.413 50 0 IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002091630 569178719 /nfs/dbraw/zinc/17/87/19/569178719.db2.gz QJDYXERNILZNNA-INIZCTEOSA-N 0 0 447.553 4.142 50 0 biogenic IIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000027119792 569178939 /nfs/dbraw/zinc/17/89/39/569178939.db2.gz VFZVITVPVRWMFR-UHFFFAOYSA-N 0 0 439.968 4.427 50 0 IIAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc12 ZINC000002094823 569179103 /nfs/dbraw/zinc/17/91/03/569179103.db2.gz ASFBJIVCLCPMCQ-INIZCTEOSA-N 0 0 435.542 4.216 50 0 biogenic IIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccncc1 ZINC000002367698 569180123 /nfs/dbraw/zinc/18/01/23/569180123.db2.gz YGSUKVHRWSQYJS-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002108006 569181308 /nfs/dbraw/zinc/18/13/08/569181308.db2.gz PLVSHNDWAQZVEA-HSZRJFAPSA-N 0 0 427.456 4.295 50 0 biogenic IIAARN Cc1ncn(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c(=O)c1C ZINC000208011843 569186119 /nfs/dbraw/zinc/18/61/19/569186119.db2.gz ONKDZRFTWAOJBH-UHFFFAOYSA-N 0 0 434.496 4.428 50 0 IIAARN Cc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002149208 569187092 /nfs/dbraw/zinc/18/70/92/569187092.db2.gz CTWSWRJIGUJLIC-FQEVSTJZSA-N 0 0 429.513 4.435 50 0 biogenic IIAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000002149103 569187105 /nfs/dbraw/zinc/18/71/05/569187105.db2.gz OZKWKIYPDVHKKG-UHFFFAOYSA-N 0 0 429.428 4.249 50 0 biogenic IIAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027299565 569190140 /nfs/dbraw/zinc/19/01/40/569190140.db2.gz JRCWBJMKSCYZOS-UHFFFAOYSA-N 0 0 438.837 4.314 50 0 IIAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)NC(C)C ZINC000037401066 569194997 /nfs/dbraw/zinc/19/49/97/569194997.db2.gz NEKHTMROJAVFPB-QGZVFWFLSA-N 0 0 434.558 4.181 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)NC(C)(C)C)cc2)cc1 ZINC000037401057 569195051 /nfs/dbraw/zinc/19/50/51/569195051.db2.gz DGVGTLNMLOPXMV-UHFFFAOYSA-N 0 0 448.585 4.429 50 0 IIAARN COCCN(CCC(=O)Nc1ccccc1)C(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000037425903 569195619 /nfs/dbraw/zinc/19/56/19/569195619.db2.gz VSTAWVMAAAJVOH-UHFFFAOYSA-N 0 0 442.516 4.143 50 0 IIAARN O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2Cl)n1)NC1CC1 ZINC000037426325 569195839 /nfs/dbraw/zinc/19/58/39/569195839.db2.gz JRGFAUJRKNSKQS-UHFFFAOYSA-N 0 0 444.944 4.444 50 0 IIAARN O=C(c1csc(Nc2cccc(Cl)c2Cl)n1)N1CCC[C@@H]1C(=O)N1CCCC1 ZINC000037436380 569196151 /nfs/dbraw/zinc/19/61/51/569196151.db2.gz OWLHMYQMQKIBPL-OAHLLOKOSA-N 0 0 439.368 4.421 50 0 IIAARN CC(C)C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)CS[C@@H]1c1ccc(F)cc1F ZINC000037437367 569196195 /nfs/dbraw/zinc/19/61/95/569196195.db2.gz DNYAKOXDHILWRQ-SIKLNZKXSA-N 0 0 436.499 4.409 50 0 IIAARN CC(C)CC(=O)N1CCN(CCN2C(=O)[C@@H](C)S[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000037438130 569196374 /nfs/dbraw/zinc/19/63/74/569196374.db2.gz VRZNRFNTVXMUTN-NTKDMRAZSA-N 0 0 445.673 4.137 50 0 IIAARN CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037524967 569198852 /nfs/dbraw/zinc/19/88/52/569198852.db2.gz PSUXYMLSZYINID-UHFFFAOYSA-N 0 0 434.367 4.484 50 0 IIAARN COc1ccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3sc(Br)cc32)cc1 ZINC000037543227 569199438 /nfs/dbraw/zinc/19/94/38/569199438.db2.gz SHVMTOHGLHFHBP-HNNXBMFYSA-N 0 0 449.370 4.431 50 0 IIAARN COc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3cccc(C)c3)N(C(=O)NC(C)C)C2)cc1 ZINC000037546635 569200171 /nfs/dbraw/zinc/20/01/71/569200171.db2.gz FQTHTLIVWMHZGR-UPVQGACJSA-N 0 0 437.584 4.234 50 0 IIAARN COc1ccc(CCNC(=O)[C@@H]2CC[C@@H](c3cccc(C)c3)N(C(=O)NC(C)C)C2)cc1 ZINC000037546637 569200212 /nfs/dbraw/zinc/20/02/12/569200212.db2.gz FQTHTLIVWMHZGR-VWNXMTODSA-N 0 0 437.584 4.234 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1 ZINC000037555491 569200591 /nfs/dbraw/zinc/20/05/91/569200591.db2.gz WXOSRZVTXDOBKF-UHFFFAOYSA-N 0 0 438.474 4.117 50 0 IIAARN Cc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)Cc2cccs2)CC3)cc1 ZINC000037579345 569201596 /nfs/dbraw/zinc/20/15/96/569201596.db2.gz WKCPZAZFTZPRBK-UHFFFAOYSA-N 0 0 434.565 4.366 50 0 IIAARN CC1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(C(=O)c2ccco2)CC3)CC1 ZINC000037580092 569201859 /nfs/dbraw/zinc/20/18/59/569201859.db2.gz TZOJCHNKMFRUTF-UHFFFAOYSA-N 0 0 436.487 4.436 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCCC3)cc2[C@H]1c1cccc(F)c1 ZINC000037604076 569202934 /nfs/dbraw/zinc/20/29/34/569202934.db2.gz FQHZUWCSXIXOFK-ILBGXUMGSA-N 0 0 438.543 4.490 50 0 IIAARN CC(C)CN(C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1)C(=O)c1cccc(F)c1 ZINC000037612484 569203044 /nfs/dbraw/zinc/20/30/44/569203044.db2.gz SQKDFMVAVLLFGC-OAQYLSRUSA-N 0 0 447.551 4.161 50 0 IIAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1Cl ZINC000002218984 569204208 /nfs/dbraw/zinc/20/42/08/569204208.db2.gz RAZIFRAWZKKLTL-UHFFFAOYSA-N 0 0 447.882 4.341 50 0 IIAARN C[C@H](C(=O)Nc1cccc(NC(=O)CCc2ccccc2Br)c1)n1cccn1 ZINC000078959415 569204380 /nfs/dbraw/zinc/20/43/80/569204380.db2.gz PPUKTPPIMASGIW-OAHLLOKOSA-N 0 0 441.329 4.417 50 0 IIAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@@H]2c1ccc2c(c1)OCO2 ZINC000066091336 569205742 /nfs/dbraw/zinc/20/57/42/569205742.db2.gz HBHUFCORSPOXHF-WOJBJXKFSA-N 0 0 429.480 4.141 50 0 IIAARN O=C(N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000027496296 569215714 /nfs/dbraw/zinc/21/57/14/569215714.db2.gz AQITUMRAOXYXOU-CYBMUJFWSA-N 0 0 438.167 4.148 50 0 IIAARN O=c1c(=Cc2ccc(OCCCOc3ccccc3)cc2)sc2nc3ccccc3n12 ZINC000252669765 569209779 /nfs/dbraw/zinc/20/97/79/569209779.db2.gz IQEKNAQMGHJLTD-UHFFFAOYSA-N 0 0 428.513 4.305 50 0 IIAARN COC(=O)N=c1n(CC(=O)c2ccc(OC)cc2)c2ccccc2n1Cc1ccccc1 ZINC000252677086 569210580 /nfs/dbraw/zinc/21/05/80/569210580.db2.gz YCBBNGUZAJJIIQ-UHFFFAOYSA-N 0 0 429.476 4.050 50 0 IIAARN CCOC(CCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O)OCC ZINC000001129695 569212378 /nfs/dbraw/zinc/21/23/78/569212378.db2.gz WNBJPHWPGLOYOW-UHFFFAOYSA-N 0 0 444.528 4.300 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002687788 569212538 /nfs/dbraw/zinc/21/25/38/569212538.db2.gz UPBZMYICECZPPV-UHFFFAOYSA-N 0 0 444.462 4.327 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2nc4ccccc4s2)[nH]c3=O)cc1 ZINC000002717936 569212778 /nfs/dbraw/zinc/21/27/78/569212778.db2.gz IPSVCUQQOKRUTG-UHFFFAOYSA-N 0 0 448.533 4.170 50 0 IIAARN CC1(C)Cc2c(sc3[nH]c(=NN)n4c(SCc5ccccc5Cl)nnc4c23)CO1 ZINC000002246558 569214504 /nfs/dbraw/zinc/21/45/04/569214504.db2.gz BQYLBZJCQMHLRU-UHFFFAOYSA-N 0 0 446.989 4.422 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Br)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002252859 569215019 /nfs/dbraw/zinc/21/50/19/569215019.db2.gz SRTIKDIIJOHJTE-BLLLJJGKSA-N 0 0 437.359 4.297 50 0 IIAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 ZINC000002256425 569216863 /nfs/dbraw/zinc/21/68/63/569216863.db2.gz VYSLWVBXPBRISZ-UHFFFAOYSA-N 0 0 443.507 4.005 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000002272067 569217650 /nfs/dbraw/zinc/21/76/50/569217650.db2.gz MGWNFYPZNLQPHB-UHFFFAOYSA-N 0 0 426.567 4.367 50 0 IIAARN COc1ccc(-n2c(=O)c3c(nc2NCCO)-c2ccccc2CC32CCCCC2)cc1 ZINC000002272680 569217762 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ZINC000002354840 569285820 /nfs/dbraw/zinc/28/58/20/569285820.db2.gz ZCAKPABAHAWUGL-OAHLLOKOSA-N 0 0 444.582 4.110 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2ccc(F)cc2)cc1OC ZINC000002355824 569285994 /nfs/dbraw/zinc/28/59/94/569285994.db2.gz SHVDIIWYNOMMKC-ATVHPVEESA-N 0 0 426.469 4.314 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000002360165 569286184 /nfs/dbraw/zinc/28/61/84/569286184.db2.gz MYERLJKKPCTZKL-FXSPECFOSA-N 0 0 428.488 4.445 50 0 IIAARN CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002363663 569287846 /nfs/dbraw/zinc/28/78/46/569287846.db2.gz FWQLBYPFHHUGON-HNAYVOBHSA-N 0 0 431.558 4.281 50 0 IIAARN CCSc1nc2ccc(I)cc2c(=O)n1-c1ccc(OC)cc1 ZINC000002372821 569289241 /nfs/dbraw/zinc/28/92/41/569289241.db2.gz YJRNMJVRAMEMPE-UHFFFAOYSA-N 0 0 438.290 4.111 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2N)cc1 ZINC000002374376 569289324 /nfs/dbraw/zinc/28/93/24/569289324.db2.gz 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O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000002424218 569302387 /nfs/dbraw/zinc/30/23/87/569302387.db2.gz DBMMFISZKNAHRX-DNVCBOLYSA-N 0 0 440.293 4.280 50 0 IIAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)NC[C@@H]3CCCO3)c2c2c1CCC2 ZINC000002425442 569302451 /nfs/dbraw/zinc/30/24/51/569302451.db2.gz FZACMAHOURTVPT-ZDUSSCGKSA-N 0 0 442.610 4.239 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)c(OC)c1 ZINC000002433924 569303405 /nfs/dbraw/zinc/30/34/05/569303405.db2.gz AOGAPRYAEFSWER-CYBMUJFWSA-N 0 0 437.883 4.312 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1 ZINC000116620294 569303518 /nfs/dbraw/zinc/30/35/18/569303518.db2.gz YVUSNVIMBHNBQQ-JLHYYAGUSA-N 0 0 432.524 4.426 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1c1ncccn1 ZINC000002437073 569303954 /nfs/dbraw/zinc/30/39/54/569303954.db2.gz IBTCAQRPQOJOAK-KRWDZBQOSA-N 0 0 434.249 4.095 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(NC3CCCC3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014535236 569304801 /nfs/dbraw/zinc/30/48/01/569304801.db2.gz MDASRBORJGRCOG-CRAIPNDOSA-N 0 0 442.560 4.341 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1Cl ZINC000002450947 569304934 /nfs/dbraw/zinc/30/49/34/569304934.db2.gz JDLGWIIKPJCYHR-UHFFFAOYSA-N 0 0 425.901 4.208 50 0 IIAARN COc1cccc(CN(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000012995872 569306114 /nfs/dbraw/zinc/30/61/14/569306114.db2.gz KQUXOUQMIZBIDQ-UHFFFAOYSA-N 0 0 447.560 4.491 50 0 IIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)nn2)n1 ZINC000013010121 569306711 /nfs/dbraw/zinc/30/67/11/569306711.db2.gz PURRMUMWXARIJL-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN CCN(CC(=O)Nc1cccc(Br)c1)CC(=O)Nc1cc(Cl)ccc1C ZINC000013037871 569307624 /nfs/dbraw/zinc/30/76/24/569307624.db2.gz DEEQNKHGFBDYNT-UHFFFAOYSA-N 0 0 438.753 4.310 50 0 IIAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1c(F)cccc1F ZINC000013068485 569308780 /nfs/dbraw/zinc/30/87/80/569308780.db2.gz RBNLXIANIBFCCZ-AGUYFDCRSA-N 0 0 427.538 4.449 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000013070191 569308871 /nfs/dbraw/zinc/30/88/71/569308871.db2.gz WDQCMTPXSGBEBW-UHFFFAOYSA-N 0 0 438.505 4.209 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=S)N[C@@H]1CCCC[C@H]1C ZINC000013073197 569309159 /nfs/dbraw/zinc/30/91/59/569309159.db2.gz XKWUTLSYVSXNCG-SJLPKXTDSA-N 0 0 439.647 4.125 50 0 IIAARN Cc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013096213 569309591 /nfs/dbraw/zinc/30/95/91/569309591.db2.gz IKPXIVXGNWZKRE-UHFFFAOYSA-N 0 0 430.570 4.357 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(C)c1 ZINC000013098958 569310044 /nfs/dbraw/zinc/31/00/44/569310044.db2.gz XDHYAPSIADWASG-UHFFFAOYSA-N 0 0 428.485 4.261 50 0 IIAARN COc1ccc(C(=O)COc2ccc(I)cc2)cc1Br ZINC000013146097 569311849 /nfs/dbraw/zinc/31/18/49/569311849.db2.gz GXVWEWIWUSIGFH-UHFFFAOYSA-N 0 0 447.066 4.324 50 0 IIAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000013351745 569313285 /nfs/dbraw/zinc/31/32/85/569313285.db2.gz JYBQVBIMKUNGKB-INIZCTEOSA-N 0 0 441.959 4.359 50 0 IIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000013354077 569313431 /nfs/dbraw/zinc/31/34/31/569313431.db2.gz OKJOXKFCTFGJDP-UHFFFAOYSA-N 0 0 429.542 4.179 50 0 IIAARN O=C(CCc1ccccc1)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1 ZINC000013354114 569313455 /nfs/dbraw/zinc/31/34/55/569313455.db2.gz OSYHMGQNGQNSTO-UHFFFAOYSA-N 0 0 439.606 4.359 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 ZINC000013356260 569313645 /nfs/dbraw/zinc/31/36/45/569313645.db2.gz DXNCQRVYDIZMOH-HSZRJFAPSA-N 0 0 440.540 4.112 50 0 IIAARN CCc1nn2c(nc(COc3cccc(NC(=O)[C@H](CC)c4ccccc4)c3)cc2=O)s1 ZINC000013368116 569314485 /nfs/dbraw/zinc/31/44/85/569314485.db2.gz BXXOEVJNTLIRGP-HXUWFJFHSA-N 0 0 448.548 4.425 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013396857 569315312 /nfs/dbraw/zinc/31/53/12/569315312.db2.gz NRFQWKKDMYKRJU-UHFFFAOYSA-N 0 0 429.520 4.397 50 0 IIAARN CCc1c(C(=O)COc2ccc(Cl)nc2I)[nH]c(C)c1C(C)=O ZINC000328593623 569317430 /nfs/dbraw/zinc/31/74/30/569317430.db2.gz PAIMUAKHNWVYIS-UHFFFAOYSA-N 0 0 446.672 4.003 50 0 IIAARN CC1(C)C[C@@H](OC(=O)C2CCN(c3cnccn3)CC2)c2cc(Br)ccc2O1 ZINC000328594585 569317600 /nfs/dbraw/zinc/31/76/00/569317600.db2.gz WBUGHRJHUXAKBF-GOSISDBHSA-N 0 0 446.345 4.301 50 0 IIAARN Cc1sc([C@@H]2COCCN2C(=O)OC(C)(C)C)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000328598313 569318101 /nfs/dbraw/zinc/31/81/01/569318101.db2.gz LEHBSAZGJIXILU-HNNXBMFYSA-N 0 0 431.514 4.407 50 0 IIAARN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(CC2CCCC2)s1 ZINC000078751564 569318844 /nfs/dbraw/zinc/31/88/44/569318844.db2.gz JCHAYTQHUNUSPJ-GOSISDBHSA-N 0 0 443.617 4.026 50 0 IIAARN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000078814408 569319294 /nfs/dbraw/zinc/31/92/94/569319294.db2.gz ZMXDXZRDDCYJFB-GOTSBHOMSA-N 0 0 430.589 4.176 50 0 IIAARN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000078814957 569319304 /nfs/dbraw/zinc/31/93/04/569319304.db2.gz FNQCSHCKKCEWGP-MRXNPFEDSA-N 0 0 433.549 4.392 50 0 IIAARN Cc1csc(-c2cccc(CNC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)c2)n1 ZINC000079489432 569331301 /nfs/dbraw/zinc/33/13/01/569331301.db2.gz BCRBWIHPMGKQPL-QGZVFWFLSA-N 0 0 427.961 4.095 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O ZINC000020069945 569333459 /nfs/dbraw/zinc/33/34/59/569333459.db2.gz CVXGACRELYYDSN-FPTDNZKUSA-N 0 0 447.457 4.490 50 0 IIAARN Cc1nc2nc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)nn2c(C)c1Cc1ccccc1 ZINC000020116746 569335100 /nfs/dbraw/zinc/33/51/00/569335100.db2.gz ZTNJHMYUYRLVOU-GCKMJXCFSA-N 0 0 437.613 4.365 50 0 IIAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCc2ccccc2)cc1OC ZINC000020152515 569353429 /nfs/dbraw/zinc/35/34/29/569353429.db2.gz ZOJQALSMAXUJAT-VWLOTQADSA-N 0 0 444.531 4.150 50 0 IIAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCc3ccccn3)C2=O)cc1 ZINC000020181587 569355395 /nfs/dbraw/zinc/35/53/95/569355395.db2.gz RYNZTTLTVWOXRP-HZHRSRAPSA-N 0 0 429.545 4.440 50 0 IIAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000094993104 569355773 /nfs/dbraw/zinc/35/57/73/569355773.db2.gz HAMDGLWCGKRKIN-FDDCHVKYSA-N 0 0 434.536 4.365 50 0 IIAARN CCN1c2cc(C(=O)N3CCc4ccccc4C3)ccc2[S@](=O)c2ccccc2C1=O ZINC000020242845 569358300 /nfs/dbraw/zinc/35/83/00/569358300.db2.gz XVVQPDRMTFHZRI-HKBQPEDESA-N 0 0 430.529 4.032 50 0 IIAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cc(C)cc(C)c3)C(C)C)cc2s1 ZINC000020326257 569360446 /nfs/dbraw/zinc/36/04/46/569360446.db2.gz HMXMHMUXXYHVJK-HXUWFJFHSA-N 0 0 431.583 4.163 50 0 IIAARN C[C@@H]1CCN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2S1 ZINC000095351138 569361977 /nfs/dbraw/zinc/36/19/77/569361977.db2.gz UOTVBVBSZFJNLU-GOSISDBHSA-N 0 0 430.017 4.375 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cnc3cc4c(cc3c2N2CCC(C)CC2)OCCO4)cc1 ZINC000020381320 569362679 /nfs/dbraw/zinc/36/26/79/569362679.db2.gz IAUSJZQBOOLVDA-UHFFFAOYSA-N 0 0 438.549 4.384 50 0 IIAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000095393756 569363549 /nfs/dbraw/zinc/36/35/49/569363549.db2.gz GYTAMIPBGCTLBI-UHFFFAOYSA-N 0 0 441.260 4.044 50 0 IIAARN CCOc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 ZINC000020417466 569364908 /nfs/dbraw/zinc/36/49/08/569364908.db2.gz JHXWKYSVNVAQSL-UHFFFAOYSA-N 0 0 448.498 4.040 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417139 569364956 /nfs/dbraw/zinc/36/49/56/569364956.db2.gz GUVVSTUCBAMLBM-PMAPCBKXSA-N 0 0 434.584 4.112 50 0 IIAARN O=C(c1nn(-c2cccc(Br)c2)c2c1CCCC2)N1CCC[C@@H]2COCC[C@H]21 ZINC000095410803 569365283 /nfs/dbraw/zinc/36/52/83/569365283.db2.gz QZHFQBOEMWJFAJ-DNVCBOLYSA-N 0 0 444.373 4.155 50 0 IIAARN CCCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccncc2)[C@H]1c1ccccc1OC ZINC000095454199 569368218 /nfs/dbraw/zinc/36/82/18/569368218.db2.gz BCQDIYVVGHJNQV-ZJSXRUAMSA-N 0 0 437.584 4.264 50 0 IIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000095460958 569369791 /nfs/dbraw/zinc/36/97/91/569369791.db2.gz KVDIGZDQEHABEA-BJLXPSRBSA-N 0 0 429.590 4.072 50 0 IIAARN COc1cccc([C@H]2[C@H](C(=O)Nc3nc(-c4cccc(O)c4)cs3)CC(=O)N2C2CC2)c1 ZINC000095463752 569370441 /nfs/dbraw/zinc/37/04/41/569370441.db2.gz IGHFXJHICOHHPV-KNQAVFIVSA-N 0 0 449.532 4.215 50 0 IIAARN CC(C)c1sc(Cl)nc1C(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000095475530 569372810 /nfs/dbraw/zinc/37/28/10/569372810.db2.gz PYOVHUXKUSRZKW-UHFFFAOYSA-N 0 0 430.961 4.436 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC(c4nnc5ccccn54)CC3)s2)cc1 ZINC000095475719 569372920 /nfs/dbraw/zinc/37/29/20/569372920.db2.gz VWXCDJCFXPDGON-UHFFFAOYSA-N 0 0 433.537 4.190 50 0 IIAARN COc1ccc(-n2cnc3c2[C@H](c2cc(OC)c(O)c(OC)c2)SCC(=O)N3)cc1 ZINC000095479319 569373629 /nfs/dbraw/zinc/37/36/29/569373629.db2.gz KXANCYOKLKXTEZ-FQEVSTJZSA-N 0 0 427.482 4.028 50 0 IIAARN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CSCc1ccccc1 ZINC000095481648 569374045 /nfs/dbraw/zinc/37/40/45/569374045.db2.gz BYEYFKKQLJAUSH-UHFFFAOYSA-N 0 0 432.343 4.391 50 0 IIAARN Cc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000095482320 569374296 /nfs/dbraw/zinc/37/42/96/569374296.db2.gz JJWLQGKLYKNKBT-AWEZNQCLSA-N 0 0 430.302 4.233 50 0 IIAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCc5cccnc5)C4=O)cc3)sc2c1 ZINC000095483050 569374462 /nfs/dbraw/zinc/37/44/62/569374462.db2.gz NSDILQXXIVDHCU-FQEVSTJZSA-N 0 0 428.517 4.088 50 0 IIAARN COc1ccc(OC)c(N2C(=O)c3ccccc3C(=CNc3ccccc3OC)C2=O)c1 ZINC000095483908 569374564 /nfs/dbraw/zinc/37/45/64/569374564.db2.gz OVEUZSGFPLSMIY-XDJHFCHBSA-N 0 0 430.460 4.352 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895903 569374964 /nfs/dbraw/zinc/37/49/64/569374964.db2.gz ZUELRPWJICMQJI-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CCc1cc(C)cc(OCCOc2ccccc2[C@@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000020896068 569375118 /nfs/dbraw/zinc/37/51/18/569375118.db2.gz KBLCQAYKTHTSRR-QFIPXVFZSA-N 0 0 441.553 4.016 50 0 IIAARN CCCCN1C(=O)c2ccc(-c3nc(CCn4c(C)nc5ccccc54)no3)cc2C1=O ZINC000095942971 569375554 /nfs/dbraw/zinc/37/55/54/569375554.db2.gz TUYSKJZONJSORX-UHFFFAOYSA-N 0 0 429.480 4.034 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000095947007 569376165 /nfs/dbraw/zinc/37/61/65/569376165.db2.gz OAEHQDDOFMBHBT-CVEARBPZSA-N 0 0 447.388 4.057 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000095950865 569376644 /nfs/dbraw/zinc/37/66/44/569376644.db2.gz PVCBRQCWSCHKJN-KRWDZBQOSA-N 0 0 437.506 4.336 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000095950866 569376671 /nfs/dbraw/zinc/37/66/71/569376671.db2.gz PVCBRQCWSCHKJN-QGZVFWFLSA-N 0 0 437.506 4.336 50 0 IIAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000096096733 569381308 /nfs/dbraw/zinc/38/13/08/569381308.db2.gz YGXSAARDCMBRNR-UHFFFAOYSA-N 0 0 434.970 4.252 50 0 IIAARN Cc1c(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)cnn1-c1ccccc1 ZINC000096099900 569381827 /nfs/dbraw/zinc/38/18/27/569381827.db2.gz YQMYCKYVHDLOTI-UHFFFAOYSA-N 0 0 435.578 4.328 50 0 IIAARN O=C(CCc1ccccc1Br)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000096103643 569382028 /nfs/dbraw/zinc/38/20/28/569382028.db2.gz WMVHTVMVDRPQKN-UHFFFAOYSA-N 0 0 443.263 4.241 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 ZINC000096114175 569382714 /nfs/dbraw/zinc/38/27/14/569382714.db2.gz BGOSAFQUSLTLCB-NZQKXSOJSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1O ZINC000096115075 569383214 /nfs/dbraw/zinc/38/32/14/569383214.db2.gz AJXOPYVJUDSEDS-NFBKMPQASA-N 0 0 429.428 4.039 50 0 biogenic IIAARN O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000096117038 569384001 /nfs/dbraw/zinc/38/40/01/569384001.db2.gz OYPAUCQLPJLRSF-OAHLLOKOSA-N 0 0 440.388 4.194 50 0 IIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116906 569384007 /nfs/dbraw/zinc/38/40/07/569384007.db2.gz LIPUFNZYIUXJQN-QLJPJBMISA-N 0 0 425.913 4.286 50 0 IIAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 ZINC000096117918 569384224 /nfs/dbraw/zinc/38/42/24/569384224.db2.gz JFAJMKAQMMILOQ-MRXNPFEDSA-N 0 0 446.540 4.487 50 0 IIAARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)c2O1 ZINC000096119025 569384599 /nfs/dbraw/zinc/38/45/99/569384599.db2.gz JJLCRLBBRCOQSZ-MRXNPFEDSA-N 0 0 439.537 4.297 50 0 IIAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000096119679 569384839 /nfs/dbraw/zinc/38/48/39/569384839.db2.gz BGKWSEJOEVLEPH-MRXNPFEDSA-N 0 0 446.438 4.051 50 0 IIAARN O=C(NCCc1cccs1)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124053 569385427 /nfs/dbraw/zinc/38/54/27/569385427.db2.gz YSPBRDLZFGDQCF-UHFFFAOYSA-N 0 0 431.565 4.057 50 0 IIAARN O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000096184204 569386065 /nfs/dbraw/zinc/38/60/65/569386065.db2.gz IWWLNDZQZCJHHU-UHFFFAOYSA-N 0 0 440.276 4.475 50 0 IIAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221490 569386894 /nfs/dbraw/zinc/38/68/94/569386894.db2.gz JDSGJOVPCIBIMM-QGZVFWFLSA-N 0 0 428.396 4.335 50 0 biogenic IIAARN COc1ccc(C2(C(=O)N[C@H]3CCCc4c5cc(OC)ccc5[nH]c43)CCOCC2)cc1 ZINC000096221442 569386926 /nfs/dbraw/zinc/38/69/26/569386926.db2.gz WWRVNQRHFJZGMW-QHCPKHFHSA-N 0 0 434.536 4.427 50 0 biogenic IIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1cncc(Br)c1 ZINC000096231921 569387732 /nfs/dbraw/zinc/38/77/32/569387732.db2.gz DLLAPIPXGUDNMH-UHFFFAOYSA-N 0 0 427.283 4.208 50 0 IIAARN COCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1ccc(F)cc1 ZINC000096275197 569388293 /nfs/dbraw/zinc/38/82/93/569388293.db2.gz IZSOJGANLBJXLD-UHFFFAOYSA-N 0 0 435.455 4.050 50 0 IIAARN CC(C)[C@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096278727 569389180 /nfs/dbraw/zinc/38/91/80/569389180.db2.gz PDMVLAVHQFXSBM-IBGZPJMESA-N 0 0 429.860 4.011 50 0 IIAARN O=C(NCc1ccco1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096279606 569389478 /nfs/dbraw/zinc/38/94/78/569389478.db2.gz GFFCTWMKBLZTPD-SFHVURJKSA-N 0 0 436.430 4.116 50 0 IIAARN CCc1ccc([C@H]2CC[C@@H](C(=O)NCCc3ccc(OC)cc3)CN2C(=O)C2CC2)cc1 ZINC000096281500 569389927 /nfs/dbraw/zinc/38/99/27/569389927.db2.gz DJMUCIANAZNVRW-ILBGXUMGSA-N 0 0 434.580 4.306 50 0 IIAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NCCOC)CC(C)C)n1 ZINC000096287292 569390306 /nfs/dbraw/zinc/39/03/06/569390306.db2.gz BWQFFIZCFPPOFC-UHFFFAOYSA-N 0 0 427.376 4.114 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)C3CCC3)c2)cc1F ZINC000096289272 569390645 /nfs/dbraw/zinc/39/06/45/569390645.db2.gz UYHUELBLDKWMOY-UHFFFAOYSA-N 0 0 449.544 4.387 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293140 569391450 /nfs/dbraw/zinc/39/14/50/569391450.db2.gz QMDBZSWFHLWVAP-AOMKIAJQSA-N 0 0 439.512 4.174 50 0 IIAARN CCCN1c2ccc(NC(=O)c3cccc(F)c3)cc2S(=O)(=O)N=C1c1ccco1 ZINC000096293381 569391549 /nfs/dbraw/zinc/39/15/49/569391549.db2.gz TVLIZGMJNYJDCN-UHFFFAOYSA-N 0 0 427.457 4.037 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc1 ZINC000096294382 569391780 /nfs/dbraw/zinc/39/17/80/569391780.db2.gz GQWWBJHJKKIXFW-XMMPIXPASA-N 0 0 445.494 4.284 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)/C=C\c3cccc4ccccc34)C2)cc1 ZINC000096315861 569392748 /nfs/dbraw/zinc/39/27/48/569392748.db2.gz YBMIDABTZOWRES-XHVGKJTDSA-N 0 0 448.588 4.379 50 0 IIAARN Cc1nc(CC(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F ZINC000096316983 569393053 /nfs/dbraw/zinc/39/30/53/569393053.db2.gz YKFQWZONRPAXGQ-UHFFFAOYSA-N 0 0 436.531 4.269 50 0 IIAARN CCOC(=O)CNC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000096318438 569393890 /nfs/dbraw/zinc/39/38/90/569393890.db2.gz ZUJUOWZFJRADIU-UHFFFAOYSA-N 0 0 432.524 4.127 50 0 IIAARN Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000096323599 569395401 /nfs/dbraw/zinc/39/54/01/569395401.db2.gz GSKFHEPTOLFZGB-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H](c2nc(CCNC(=O)C3CCC3)cs2)C1 ZINC000096373249 569398092 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/nfs/dbraw/zinc/44/98/14/569449814.db2.gz NAXVRLPONFBUKB-UHFFFAOYSA-N 0 0 438.553 4.056 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)c1 ZINC000003409284 569449970 /nfs/dbraw/zinc/44/99/70/569449970.db2.gz QRJIGKPBCFYNBB-QFIPXVFZSA-N 0 0 437.517 4.244 50 0 IIAARN CCc1sc2nc(SCC(=O)N(CC)CC)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000003412380 569450097 /nfs/dbraw/zinc/45/00/97/569450097.db2.gz MJWLANVZAQHPFG-UHFFFAOYSA-N 0 0 445.610 4.287 50 0 IIAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)o2)c1 ZINC000003421432 569450440 /nfs/dbraw/zinc/45/04/40/569450440.db2.gz DLAKHRWVYAOWQW-UHFFFAOYSA-N 0 0 449.435 4.318 50 0 IIAARN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003427930 569450667 /nfs/dbraw/zinc/45/06/67/569450667.db2.gz AKDXXSZCJRGDTE-CQSZACIVSA-N 0 0 440.924 4.060 50 0 IIAARN COc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1OC(F)F ZINC000030926433 569451167 /nfs/dbraw/zinc/45/11/67/569451167.db2.gz BASUALDQZHPMHO-UHFFFAOYSA-N 0 0 437.402 4.248 50 0 IIAARN O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000003466432 569452000 /nfs/dbraw/zinc/45/20/00/569452000.db2.gz XUKZPIFPJCALMV-UHFFFAOYSA-N 0 0 436.942 4.091 50 0 IIAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCc2nnc3n2CCC3)cc1 ZINC000030997843 569452181 /nfs/dbraw/zinc/45/21/81/569452181.db2.gz HKVMSTYRRZGGNR-UHFFFAOYSA-N 0 0 429.549 4.182 50 0 IIAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(CC)c1cccc2ccccc21 ZINC000003477815 569452220 /nfs/dbraw/zinc/45/22/20/569452220.db2.gz JSXJSZSQTSMIMU-UHFFFAOYSA-N 0 0 433.537 4.359 50 0 IIAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003514099 569453010 /nfs/dbraw/zinc/45/30/10/569453010.db2.gz NJOXIEBJPFYACV-OAHLLOKOSA-N 0 0 444.443 4.085 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)c1C ZINC000003530475 569453428 /nfs/dbraw/zinc/45/34/28/569453428.db2.gz FWFDTMIBUGQRJX-UHFFFAOYSA-N 0 0 429.545 4.411 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1O ZINC000217808792 569453527 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569456978 /nfs/dbraw/zinc/45/69/78/569456978.db2.gz BORSOWBBPHTMOU-UHFFFAOYSA-N 0 0 432.311 4.393 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 ZINC000031788738 569457412 /nfs/dbraw/zinc/45/74/12/569457412.db2.gz MZWSZXWRSFMWSR-MRXNPFEDSA-N 0 0 437.352 4.056 50 0 IIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCC(Cc4ccccc4)CC3)nn1C)C2 ZINC000032093423 569459723 /nfs/dbraw/zinc/45/97/23/569459723.db2.gz OYAJDASEGVNLAS-UHFFFAOYSA-N 0 0 431.536 4.103 50 0 IIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccco3)nn1-c1ccc(F)cc1)C2 ZINC000032093759 569459753 /nfs/dbraw/zinc/45/97/53/569459753.db2.gz SLUGUIMVXSFQQK-UHFFFAOYSA-N 0 0 433.439 4.123 50 0 IIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1Cl ZINC000004122666 569460037 /nfs/dbraw/zinc/46/00/37/569460037.db2.gz IMVXCYLKUBEKLB-UHFFFAOYSA-N 0 0 449.960 4.469 50 0 IIAARN COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000032101826 569460116 /nfs/dbraw/zinc/46/01/16/569460116.db2.gz SMUCBSIIVRIZHT-KGENOOAVSA-N 0 0 447.516 4.469 50 0 IIAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCC(=O)N1CCC(C)CC1 ZINC000004186558 569460790 /nfs/dbraw/zinc/46/07/90/569460790.db2.gz RBOWYFXZNSQSDK-UHFFFAOYSA-N 0 0 436.581 4.217 50 0 IIAARN COc1cc(C(=O)N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)ccc1C ZINC000059315331 569460875 /nfs/dbraw/zinc/46/08/75/569460875.db2.gz DKCGLEUQHPKSIY-UHFFFAOYSA-N 0 0 426.900 4.310 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCS[C@H](c3ccccc3F)CC2)cc1 ZINC000219111308 569461669 /nfs/dbraw/zinc/46/16/69/569461669.db2.gz ZNAJSIPFQRLXNB-NRFANRHFSA-N 0 0 435.586 4.257 50 0 IIAARN NC(=O)N[C@@H](CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1F ZINC000032462102 569461816 /nfs/dbraw/zinc/46/18/16/569461816.db2.gz JIFZQOHGNGRXNN-NRFANRHFSA-N 0 0 425.435 4.173 50 0 IIAARN Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C ZINC000032487672 569461886 /nfs/dbraw/zinc/46/18/86/569461886.db2.gz PRKOPHWMWGIPNR-OAHLLOKOSA-N 0 0 441.881 4.487 50 0 IIAARN CCCn1c(SCC(=O)c2cc(C)n(CCCOC)c2C)nc2ccccc2c1=O ZINC000008195308 569462400 /nfs/dbraw/zinc/46/24/00/569462400.db2.gz YUTJVRJYQCZSOY-UHFFFAOYSA-N 0 0 427.570 4.236 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2ccccc2)c1 ZINC000008165309 569462463 /nfs/dbraw/zinc/46/24/63/569462463.db2.gz NYAGCJRVQIFZLL-UHFFFAOYSA-N 0 0 429.586 4.206 50 0 IIAARN CC(C)c1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C2CC2)cc1 ZINC000008357508 569462612 /nfs/dbraw/zinc/46/26/12/569462612.db2.gz YVDKEKGUSAVBIJ-UHFFFAOYSA-N 0 0 426.582 4.399 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1OC ZINC000038486468 569462807 /nfs/dbraw/zinc/46/28/07/569462807.db2.gz VENCWWXHSZKMFD-UHFFFAOYSA-N 0 0 444.422 4.259 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)Nc1ccc(F)cc1 ZINC000038486857 569462834 /nfs/dbraw/zinc/46/28/34/569462834.db2.gz OTSFEWILHVTBCY-UHFFFAOYSA-N 0 0 436.447 4.053 50 0 IIAARN O=C(NCc1ccc(F)cc1F)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000038487521 569462883 /nfs/dbraw/zinc/46/28/83/569462883.db2.gz ZYHOYVQBWPXAQH-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1OC ZINC000038488272 569463000 /nfs/dbraw/zinc/46/30/00/569463000.db2.gz KAVZRZWNSQFYKX-ONNFQVAWSA-N 0 0 442.479 4.075 50 0 IIAARN CCc1cc([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038551770 569464015 /nfs/dbraw/zinc/46/40/15/569464015.db2.gz KEBWAISHYIFYEC-NRFANRHFSA-N 0 0 440.521 4.306 50 0 IIAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000038565172 569464090 /nfs/dbraw/zinc/46/40/90/569464090.db2.gz HBSXJGDRQSWAQK-SFHVURJKSA-N 0 0 446.550 4.442 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1C ZINC000067218400 569464988 /nfs/dbraw/zinc/46/49/88/569464988.db2.gz XGPAXNIZTGDDCW-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)c1C ZINC000067218488 569465013 /nfs/dbraw/zinc/46/50/13/569465013.db2.gz PHUBHSRKUCMJCT-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)c1 ZINC000067237128 569465507 /nfs/dbraw/zinc/46/55/07/569465507.db2.gz JBRJWKZMRRUSEC-UHFFFAOYSA-N 0 0 446.532 4.264 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067238156 569465571 /nfs/dbraw/zinc/46/55/71/569465571.db2.gz RMCIUWJOBLJWHE-UHFFFAOYSA-N 0 0 426.542 4.013 50 0 IIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000067238837 569465631 /nfs/dbraw/zinc/46/56/31/569465631.db2.gz BAXYKOGQDUGUND-LBPRGKRZSA-N 0 0 434.949 4.397 50 0 IIAARN CCOc1ccccc1CNC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261274 569466512 /nfs/dbraw/zinc/46/65/12/569466512.db2.gz MTAIYBXGWVRTER-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000067261733 569466661 /nfs/dbraw/zinc/46/66/61/569466661.db2.gz KBAOVIFUKVCCPZ-OAHLLOKOSA-N 0 0 433.899 4.482 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000038679786 569466731 /nfs/dbraw/zinc/46/67/31/569466731.db2.gz LXSFTGQONRKDDS-HUUCEWRRSA-N 0 0 433.917 4.040 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5cccc(C)c5)CC4)nccn3n2)cc1OC ZINC000067285323 569466831 /nfs/dbraw/zinc/46/68/31/569466831.db2.gz IDABETKHBPXVFQ-UHFFFAOYSA-N 0 0 429.524 4.049 50 0 IIAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067289914 569467511 /nfs/dbraw/zinc/46/75/11/569467511.db2.gz KSGMIGGYSPKSMS-UHFFFAOYSA-N 0 0 432.549 4.430 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290120 569467553 /nfs/dbraw/zinc/46/75/53/569467553.db2.gz IVSZBICKSPXTRW-UHFFFAOYSA-N 0 0 438.534 4.365 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 ZINC000067292374 569467747 /nfs/dbraw/zinc/46/77/47/569467747.db2.gz FJSSDQGRLCJUFP-YEUWRSSNSA-N 0 0 445.288 4.476 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)c1 ZINC000067293504 569467776 /nfs/dbraw/zinc/46/77/76/569467776.db2.gz XCCNUHFCNUUBIP-RWEWTDSWSA-N 0 0 429.432 4.108 50 0 IIAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc4c(c3)OCO4)oc21 ZINC000067295664 569467950 /nfs/dbraw/zinc/46/79/50/569467950.db2.gz ZXOUQJNYEULJHZ-LCUIJRPUSA-N 0 0 429.432 4.358 50 0 IIAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)cc(OC)c1 ZINC000067298953 569468074 /nfs/dbraw/zinc/46/80/74/569468074.db2.gz UMSJMFLCCVMWAQ-LCUIJRPUSA-N 0 0 434.448 4.214 50 0 IIAARN CCOC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)cc1 ZINC000067298994 569468095 /nfs/dbraw/zinc/46/80/95/569468095.db2.gz AHULMWXZAVJGFC-PNHLSOANSA-N 0 0 446.459 4.374 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000038728026 569468343 /nfs/dbraw/zinc/46/83/43/569468343.db2.gz QPYQAIIAHUQAKX-QZTJIDSGSA-N 0 0 432.973 4.033 50 0 IIAARN CC(C)Sc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)cc1 ZINC000038727317 569468373 /nfs/dbraw/zinc/46/83/73/569468373.db2.gz IOFMUAABVJETIH-VQTJNVASSA-N 0 0 428.623 4.266 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc2nc(SC)n(CC(C)C)c(=O)c21 ZINC000067320112 569468621 /nfs/dbraw/zinc/46/86/21/569468621.db2.gz XNTFNIBEVRQLRY-UHFFFAOYSA-N 0 0 448.976 4.185 50 0 IIAARN Cc1ccc(C(=O)N/C(=C/C2=Cc3ccccc3O[C@@H]2C)C(=O)NCc2ccco2)cc1 ZINC000008557040 569469009 /nfs/dbraw/zinc/46/90/09/569469009.db2.gz QNVNSTQHYKHEFX-MMTNMYCKSA-N 0 0 428.488 4.383 50 0 IIAARN CCc1cccc(CC)c1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038856280 569469339 /nfs/dbraw/zinc/46/93/39/569469339.db2.gz CMIHTEPLMYNIMC-LJQANCHMSA-N 0 0 436.961 4.021 50 0 IIAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008621975 569469451 /nfs/dbraw/zinc/46/94/51/569469451.db2.gz GYSXZXULJJEWOV-UHFFFAOYSA-N 0 0 430.851 4.044 50 0 IIAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008644054 569469605 /nfs/dbraw/zinc/46/96/05/569469605.db2.gz FUNVSMZFBJYUMU-UZTOHYMASA-N 0 0 441.531 4.306 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000008661048 569469770 /nfs/dbraw/zinc/46/97/70/569469770.db2.gz STTZGUNAVANTTO-UHFFFAOYSA-N 0 0 444.582 4.268 50 0 IIAARN O=C(NCc1ccco1)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 ZINC000008660899 569469779 /nfs/dbraw/zinc/46/97/79/569469779.db2.gz BEKODBUBUSFIQP-CPNJWEJPSA-N 0 0 425.282 4.129 50 0 IIAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000008706809 569470545 /nfs/dbraw/zinc/47/05/45/569470545.db2.gz OIKVPUWMJDXQPJ-QFIPXVFZSA-N 0 0 437.883 4.220 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000008710911 569471024 /nfs/dbraw/zinc/47/10/24/569471024.db2.gz TYHWZADXQPACOU-UHFFFAOYSA-N 0 0 441.578 4.139 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCCc1nc2ccccc2s1 ZINC000008718366 569471291 /nfs/dbraw/zinc/47/12/91/569471291.db2.gz VXBUBNQWYLDXPJ-UHFFFAOYSA-N 0 0 446.370 4.445 50 0 IIAARN C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)NCCC1=CCCCC1 ZINC000008727424 569472347 /nfs/dbraw/zinc/47/23/47/569472347.db2.gz SKEOZVQXCQFGPF-KRWDZBQOSA-N 0 0 435.597 4.223 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(C)n2-c2ccccc2)c1 ZINC000008729089 569472461 /nfs/dbraw/zinc/47/24/61/569472461.db2.gz LQDJDCMIBPCAID-FQEVSTJZSA-N 0 0 438.553 4.049 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000008748063 569473145 /nfs/dbraw/zinc/47/31/45/569473145.db2.gz IZHBIGBLOKXFOI-HNNXBMFYSA-N 0 0 425.916 4.399 50 0 IIAARN COC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000008749285 569473265 /nfs/dbraw/zinc/47/32/65/569473265.db2.gz XRYDJRJUCZFVPN-HOTGVXAUSA-N 0 0 437.565 4.212 50 0 IIAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755964 569474037 /nfs/dbraw/zinc/47/40/37/569474037.db2.gz MVHAYKPCDRMHGO-QGZVFWFLSA-N 0 0 434.565 4.241 50 0 IIAARN CCOC(=O)Nc1ccc2c(CSc3nc(-c4ccccc4)cn3N)cc(=O)oc2c1 ZINC000008757577 569474187 /nfs/dbraw/zinc/47/41/87/569474187.db2.gz QBKLMDDJTYBELM-UHFFFAOYSA-N 0 0 436.493 4.231 50 0 IIAARN Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 ZINC000008771717 569475263 /nfs/dbraw/zinc/47/52/63/569475263.db2.gz UWELTPVAOMQDDO-OAQYLSRUSA-N 0 0 433.533 4.118 50 0 IIAARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008774023 569475266 /nfs/dbraw/zinc/47/52/66/569475266.db2.gz PDLXFARPOZDWIS-YLPLVBRQSA-N 0 0 428.488 4.401 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccn1)OC1(CCCCC1)CC3 ZINC000008792096 569476314 /nfs/dbraw/zinc/47/63/14/569476314.db2.gz FMYQYXZZLVJVRO-UHFFFAOYSA-N 0 0 432.520 4.383 50 0 biogenic IIAARN C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000008823962 569477115 /nfs/dbraw/zinc/47/71/15/569477115.db2.gz XJOYMUCAIMYOFB-QKKBWIMNSA-N 0 0 449.334 4.243 50 0 IIAARN COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000008824938 569477288 /nfs/dbraw/zinc/47/72/88/569477288.db2.gz RXPFFPAAKLOAIE-UHFFFAOYSA-N 0 0 447.365 4.087 50 0 IIAARN CCc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccncc2)cc1 ZINC000008825520 569477415 /nfs/dbraw/zinc/47/74/15/569477415.db2.gz CMMBQLFQRRDHGS-UHFFFAOYSA-N 0 0 435.578 4.362 50 0 IIAARN Cc1nnc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)n1Cc1ccccc1 ZINC000008825728 569477462 /nfs/dbraw/zinc/47/74/62/569477462.db2.gz SMVSGMMBFDUXAC-UHFFFAOYSA-N 0 0 447.564 4.274 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000008826368 569477594 /nfs/dbraw/zinc/47/75/94/569477594.db2.gz CEWGZFSMSQTKAV-UHFFFAOYSA-N 0 0 426.460 4.103 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827474 569477639 /nfs/dbraw/zinc/47/76/39/569477639.db2.gz HWJQESAMXWOFMT-HXUWFJFHSA-N 0 0 446.846 4.378 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827475 569477654 /nfs/dbraw/zinc/47/76/54/569477654.db2.gz HWJQESAMXWOFMT-FQEVSTJZSA-N 0 0 446.846 4.378 50 0 IIAARN CCOc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000008836611 569478071 /nfs/dbraw/zinc/47/80/71/569478071.db2.gz BRLJYQMMMFLITR-UHFFFAOYSA-N 0 0 444.516 4.387 50 0 IIAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840873 569478428 /nfs/dbraw/zinc/47/84/28/569478428.db2.gz VWJXWZXPRXYYSE-UHFFFAOYSA-N 0 0 443.569 4.161 50 0 IIAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845352 569478836 /nfs/dbraw/zinc/47/88/36/569478836.db2.gz OPUCTGDZUQCRQM-XMMPIXPASA-N 0 0 426.476 4.321 50 0 IIAARN COc1cc([C@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845590 569478879 /nfs/dbraw/zinc/47/88/79/569478879.db2.gz RAQZJYKXHYMICM-DEOSSOPVSA-N 0 0 445.475 4.452 50 0 IIAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC ZINC000008846066 569479009 /nfs/dbraw/zinc/47/90/09/569479009.db2.gz LQSKHDNZTGUJTD-QHCPKHFHSA-N 0 0 442.471 4.341 50 0 IIAARN Cc1ccccc1OCc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n[nH]1 ZINC000008848629 569479212 /nfs/dbraw/zinc/47/92/12/569479212.db2.gz SVFJDELXZCRADL-UHFFFAOYSA-N 0 0 439.566 4.053 50 0 IIAARN CCc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)n2)cc1 ZINC000008849262 569479225 /nfs/dbraw/zinc/47/92/25/569479225.db2.gz SZZLQDBIDLMMRP-SFHVURJKSA-N 0 0 448.548 4.480 50 0 IIAARN Cc1cc(NC(=O)c2ccc(CSc3nnnn3C[C@@H]3CCCO3)cc2)ccc1Cl ZINC000008851316 569479410 /nfs/dbraw/zinc/47/94/10/569479410.db2.gz MDHHRYOQACXQPY-SFHVURJKSA-N 0 0 443.960 4.359 50 0 IIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1Cl ZINC000008852898 569479480 /nfs/dbraw/zinc/47/94/80/569479480.db2.gz RQLVDVQWZDXSQG-NSHDSACASA-N 0 0 443.891 4.433 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)cc1OC ZINC000008852988 569479544 /nfs/dbraw/zinc/47/95/44/569479544.db2.gz OBLFLOIDMFWLEG-IBGZPJMESA-N 0 0 425.510 4.210 50 0 IIAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000008854782 569479637 /nfs/dbraw/zinc/47/96/37/569479637.db2.gz XRAGZHGFJAYAGR-UHFFFAOYSA-N 0 0 438.822 4.304 50 0 IIAARN C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000008861962 569480101 /nfs/dbraw/zinc/48/01/01/569480101.db2.gz CSVDJBFWKCAWAE-SFHVURJKSA-N 0 0 440.503 4.256 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008862281 569480163 /nfs/dbraw/zinc/48/01/63/569480163.db2.gz NWMRIQIJOQBHIQ-UHFFFAOYSA-N 0 0 448.504 4.302 50 0 IIAARN COCCN(CCOC)C(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000008867291 569480246 /nfs/dbraw/zinc/48/02/46/569480246.db2.gz QCXJTZNFPRGORZ-UHFFFAOYSA-N 0 0 435.549 4.489 50 0 IIAARN CCc1ccc2oc(C(=O)N(Cc3ccccc3F)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000008867472 569480254 /nfs/dbraw/zinc/48/02/54/569480254.db2.gz WYZFKRZOWKMNDR-SFHVURJKSA-N 0 0 429.513 4.272 50 0 IIAARN CCc1ccc(CN(C(=O)Cc2coc3ccc(CC)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869304 569480434 /nfs/dbraw/zinc/48/04/34/569480434.db2.gz ACCNZUOVSPKRHF-JOCHJYFZSA-N 0 0 439.577 4.316 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1OCC ZINC000008869890 569480488 /nfs/dbraw/zinc/48/04/88/569480488.db2.gz QYPIXDGORVAEGK-IRXDYDNUSA-N 0 0 445.478 4.055 50 0 IIAARN COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008870302 569480539 /nfs/dbraw/zinc/48/05/39/569480539.db2.gz UDPDSUBEAJLUDW-UHFFFAOYSA-N 0 0 438.299 4.400 50 0 IIAARN COc1ccc(CCNC(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1OC ZINC000008873339 569480997 /nfs/dbraw/zinc/48/09/97/569480997.db2.gz UFLWXJCQKQQIOR-UHFFFAOYSA-N 0 0 445.928 4.039 50 0 IIAARN CC(C)(C)c1cc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)n(-c2ccccc2)n1 ZINC000008878205 569481271 /nfs/dbraw/zinc/48/12/71/569481271.db2.gz PHVLDOAZDADAAK-UHFFFAOYSA-N 0 0 430.508 4.376 50 0 IIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC000039844005 569481869 /nfs/dbraw/zinc/48/18/69/569481869.db2.gz AHBSPJCWWGXFDQ-HZPDHXFCSA-N 0 0 430.501 4.236 50 0 IIAARN COc1cc2c(cc1NC(=O)CSCc1nnnn1-c1ccccc1)oc1ccccc12 ZINC000039984265 569482353 /nfs/dbraw/zinc/48/23/53/569482353.db2.gz CCHIQSSYDMGEER-UHFFFAOYSA-N 0 0 445.504 4.442 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c(=O)oc2c1 ZINC000040016005 569482571 /nfs/dbraw/zinc/48/25/71/569482571.db2.gz FDJDESSZAHKCLL-NRFANRHFSA-N 0 0 431.492 4.283 50 0 IIAARN CC1CCN(c2nnc(SCc3nnc(-c4ccccc4)o3)n2C[C@@H]2CCCO2)CC1 ZINC000040030799 569483041 /nfs/dbraw/zinc/48/30/41/569483041.db2.gz IBKSRNDGWKKILQ-SFHVURJKSA-N 0 0 440.573 4.036 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)cc1C ZINC000008883331 569483047 /nfs/dbraw/zinc/48/30/47/569483047.db2.gz XUAGJFGUMJFSCI-UHFFFAOYSA-N 0 0 435.574 4.473 50 0 IIAARN CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000040034736 569483297 /nfs/dbraw/zinc/48/32/97/569483297.db2.gz ZVELJMVCOUPZGZ-DVECYGJZSA-N 0 0 438.911 4.090 50 0 IIAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008895275 569483724 /nfs/dbraw/zinc/48/37/24/569483724.db2.gz XRTWKAOYARXLGP-MHZLTWQESA-N 0 0 442.515 4.488 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000008895672 569483810 /nfs/dbraw/zinc/48/38/10/569483810.db2.gz BYVSLJIVZDILSH-ZDUSSCGKSA-N 0 0 440.500 4.117 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)NC[C@@H]1COc2ccccc2O1 ZINC000008899948 569484101 /nfs/dbraw/zinc/48/41/01/569484101.db2.gz SKODYQKXWBAFKL-GOSISDBHSA-N 0 0 443.528 4.345 50 0 IIAARN Cc1ccc2nc(COc3ccc(C(=O)N4CCN(C)C[C@H]4c4ccccc4)cc3)cn2c1 ZINC000040050303 569484178 /nfs/dbraw/zinc/48/41/78/569484178.db2.gz XTUKADUFJCRSEZ-VWLOTQADSA-N 0 0 440.547 4.351 50 0 IIAARN CC(C)(C)C(=O)NCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000040050504 569484194 /nfs/dbraw/zinc/48/41/94/569484194.db2.gz CNZZDOOYHDIWFO-UHFFFAOYSA-N 0 0 425.407 4.042 50 0 IIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCc2ccc(F)cc2Cl)c1C ZINC000040051406 569484408 /nfs/dbraw/zinc/48/44/08/569484408.db2.gz HLUOIZIZCCCGEN-UHFFFAOYSA-N 0 0 444.981 4.218 50 0 IIAARN CCCc1ccc([C@@H](NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 ZINC000040058589 569484675 /nfs/dbraw/zinc/48/46/75/569484675.db2.gz VWAAVSPSRMBCGU-OAQYLSRUSA-N 0 0 449.619 4.172 50 0 IIAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058992 569484758 /nfs/dbraw/zinc/48/47/58/569484758.db2.gz YNZXIMXBCCNBHV-AUSIDOKSSA-N 0 0 444.560 4.382 50 0 IIAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059848 569484811 /nfs/dbraw/zinc/48/48/11/569484811.db2.gz VDYDUOXEUFYGFZ-OAHLLOKOSA-N 0 0 429.929 4.471 50 0 IIAARN Cc1ccc2c(CC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)coc2c1 ZINC000008915146 569485514 /nfs/dbraw/zinc/48/55/14/569485514.db2.gz IEPWWLHUBLPREP-LJQANCHMSA-N 0 0 431.941 4.153 50 0 IIAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000040069942 569485613 /nfs/dbraw/zinc/48/56/13/569485613.db2.gz LJIVWGBTXHDNDK-UHFFFAOYSA-N 0 0 428.427 4.181 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000008916393 569485763 /nfs/dbraw/zinc/48/57/63/569485763.db2.gz TYABFCNXAXTSQW-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN C[C@]12C(=O)N(c3cccc(C(=O)NC4CCCC4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918241 569486243 /nfs/dbraw/zinc/48/62/43/569486243.db2.gz IQFOYFHVNBPZNH-SANMLTNESA-N 0 0 442.519 4.080 50 0 biogenic IIAARN COc1cc(NC(=O)COc2ccccc2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 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Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)Nc1ccc(F)cc1F)c2=O ZINC000008955230 569490101 /nfs/dbraw/zinc/49/01/01/569490101.db2.gz DWDIXJSGQGUSMW-UHFFFAOYSA-N 0 0 446.866 4.399 50 0 IIAARN COc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3nc(C)sc32)cc1 ZINC000008955445 569490103 /nfs/dbraw/zinc/49/01/03/569490103.db2.gz DFRCCDFKHPHMST-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000008959021 569490267 /nfs/dbraw/zinc/49/02/67/569490267.db2.gz DJCDWFMXPNHNMX-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN COc1cccc(OCC(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000008959819 569490361 /nfs/dbraw/zinc/49/03/61/569490361.db2.gz UKLDYUJAFRGSSC-UHFFFAOYSA-N 0 0 426.513 4.120 50 0 IIAARN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c12 ZINC000040132396 569490380 /nfs/dbraw/zinc/49/03/80/569490380.db2.gz ZQWWVGZTNLDLCR-UHFFFAOYSA-N 0 0 428.496 4.093 50 0 IIAARN O=C(COc1ccc(NC(=O)Cn2cccn2)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000040135332 569490659 /nfs/dbraw/zinc/49/06/59/569490659.db2.gz OHCBBDJNNVTJOL-UHFFFAOYSA-N 0 0 426.476 4.206 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1Br ZINC000008964403 569491226 /nfs/dbraw/zinc/49/12/26/569491226.db2.gz UAYBDHJCWBNTEL-UHFFFAOYSA-N 0 0 440.326 4.309 50 0 IIAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)on1 ZINC000008965635 569491502 /nfs/dbraw/zinc/49/15/02/569491502.db2.gz ISMQHMXETZHDLO-UHFFFAOYSA-N 0 0 434.525 4.346 50 0 IIAARN Cn1nc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2c1=O ZINC000008965712 569491518 /nfs/dbraw/zinc/49/15/18/569491518.db2.gz GXWDDIXYCYOFNZ-UHFFFAOYSA-N 0 0 430.533 4.117 50 0 IIAARN CN(C)C(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1 ZINC000040141803 569491755 /nfs/dbraw/zinc/49/17/55/569491755.db2.gz KWRXTOKYPSGMQR-UHFFFAOYSA-N 0 0 429.495 4.461 50 0 IIAARN C[C@@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccncc1 ZINC000040143179 569491900 /nfs/dbraw/zinc/49/19/00/569491900.db2.gz PGPYNXRNNJTEAE-CQSZACIVSA-N 0 0 425.330 4.400 50 0 IIAARN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146904 569492313 /nfs/dbraw/zinc/49/23/13/569492313.db2.gz WUTQVQAYZPSBJV-QKKBWIMNSA-N 0 0 445.922 4.234 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccccn1)c1ccc(Cl)cc1 ZINC000008979418 569492996 /nfs/dbraw/zinc/49/29/96/569492996.db2.gz DMKANGGCKBUMGK-MRXNPFEDSA-N 0 0 426.929 4.180 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1cccnc1)c1ccc(Cl)cc1 ZINC000008979416 569493009 /nfs/dbraw/zinc/49/30/09/569493009.db2.gz GRWCKGKIUMBDNS-MRXNPFEDSA-N 0 0 426.929 4.180 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccncc1)c1ccc(Cl)cc1 ZINC000008979425 569493056 /nfs/dbraw/zinc/49/30/56/569493056.db2.gz MCMCIIGADOMWCD-MRXNPFEDSA-N 0 0 426.929 4.180 50 0 IIAARN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040149963 569493096 /nfs/dbraw/zinc/49/30/96/569493096.db2.gz LKXUOGNYAHLWMP-OAQYLSRUSA-N 0 0 434.540 4.271 50 0 IIAARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)N[C@@H]1c1csc(C)n1 ZINC000040152386 569493428 /nfs/dbraw/zinc/49/34/28/569493428.db2.gz IDZDNIHKTHSQOE-MRXNPFEDSA-N 0 0 436.331 4.322 50 0 IIAARN Cc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)C(C)C)o1 ZINC000040154994 569493815 /nfs/dbraw/zinc/49/38/15/569493815.db2.gz SRDLMJFZBDGGRB-KRWDZBQOSA-N 0 0 434.483 4.479 50 0 IIAARN O=C(N[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1)c1ccn(-c2ccccc2)n1 ZINC000040155081 569493819 /nfs/dbraw/zinc/49/38/19/569493819.db2.gz WSPFKVOWROZRKT-HSZRJFAPSA-N 0 0 444.922 4.313 50 0 IIAARN CCOc1cc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)ccc1OC ZINC000040156022 569494041 /nfs/dbraw/zinc/49/40/41/569494041.db2.gz SFLNCIIZZMYWHS-LBPRGKRZSA-N 0 0 436.302 4.119 50 0 IIAARN Cc1ccc(-c2nnc(CCC(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)o2)cc1 ZINC000040156085 569494057 /nfs/dbraw/zinc/49/40/57/569494057.db2.gz HQRNBLPPRMPGNC-OAQYLSRUSA-N 0 0 439.519 4.108 50 0 IIAARN O=C(CN1CCN(Cn2cc(-c3ccccc3)oc2=S)CC1)Nc1ccccc1Cl ZINC000040158203 569494505 /nfs/dbraw/zinc/49/45/05/569494505.db2.gz FCVZEYPIZDDPDS-UHFFFAOYSA-N 0 0 442.972 4.345 50 0 IIAARN COCc1cc(C)nc2sc(C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)c(N)c21 ZINC000008990757 569495088 /nfs/dbraw/zinc/49/50/88/569495088.db2.gz JKWNTALRAWGIQI-UHFFFAOYSA-N 0 0 441.538 4.154 50 0 IIAARN Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccc(Cl)cc1Cl ZINC000008993509 569495409 /nfs/dbraw/zinc/49/54/09/569495409.db2.gz SMTGRQVSPXXJLU-LJQANCHMSA-N 0 0 426.307 4.250 50 0 IIAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000009030187 569497043 /nfs/dbraw/zinc/49/70/43/569497043.db2.gz IEAIQPZRIADJEC-QFIPXVFZSA-N 0 0 434.496 4.108 50 0 IIAARN O=S(=O)(NCc1ccc(Oc2nccs2)cc1)c1ccc(Br)s1 ZINC000245174524 569497996 /nfs/dbraw/zinc/49/79/96/569497996.db2.gz YQUDPGVGZKDVHU-UHFFFAOYSA-N 0 0 431.358 4.238 50 0 IIAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O ZINC000009048641 569498550 /nfs/dbraw/zinc/49/85/50/569498550.db2.gz XULWRSHGLPYTCA-WIYYLYMNSA-N 0 0 443.551 4.220 50 0 IIAARN Cc1c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2oc1C(=O)c1ccccc1 ZINC000009051703 569498751 /nfs/dbraw/zinc/49/87/51/569498751.db2.gz FSTZJXARUIVAJC-UHFFFAOYSA-N 0 0 437.455 4.321 50 0 IIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3c[nH]c4ccccc34)cn(C3CC3)c21 ZINC000009053028 569498786 /nfs/dbraw/zinc/49/87/86/569498786.db2.gz GYZKGUPVCXMTNK-UHFFFAOYSA-N 0 0 437.446 4.077 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000009054281 569498904 /nfs/dbraw/zinc/49/89/04/569498904.db2.gz UQYQFMLNGUMVPI-XMSQKQJNSA-N 0 0 437.540 4.311 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]1c1cccs1 ZINC000245228580 569499926 /nfs/dbraw/zinc/49/99/26/569499926.db2.gz ULBHREPXTWSBAM-FTIBCMOBSA-N 0 0 426.582 4.180 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000009076653 569500361 /nfs/dbraw/zinc/50/03/61/569500361.db2.gz YQBSROYPHJZFRU-XMMPIXPASA-N 0 0 446.551 4.452 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)c(C)c1 ZINC000245237951 569500481 /nfs/dbraw/zinc/50/04/81/569500481.db2.gz MWFVTFSOGGYSEJ-LVXARBLLSA-N 0 0 433.596 4.093 50 0 IIAARN COc1ccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1OC ZINC000009095351 569501322 /nfs/dbraw/zinc/50/13/22/569501322.db2.gz WDCRQEJLMBYLHP-UHFFFAOYSA-N 0 0 445.475 4.263 50 0 IIAARN COc1cccc(CCNC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1 ZINC000009100663 569501509 /nfs/dbraw/zinc/50/15/09/569501509.db2.gz VFSFHAZQQRBQDF-UHFFFAOYSA-N 0 0 441.531 4.492 50 0 IIAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000040400283 569501637 /nfs/dbraw/zinc/50/16/37/569501637.db2.gz WGBXABYTGCMHQL-VQTJNVASSA-N 0 0 444.959 4.129 50 0 IIAARN COC(=O)c1cc2cc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)ccc2o1 ZINC000069352149 569502206 /nfs/dbraw/zinc/50/22/06/569502206.db2.gz ICQLTHIOZOCPTH-UHFFFAOYSA-N 0 0 439.427 4.171 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)c1 ZINC000009115581 569502768 /nfs/dbraw/zinc/50/27/68/569502768.db2.gz WHDUOWIFAWPFJH-MHZLTWQESA-N 0 0 448.338 4.289 50 0 IIAARN 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/nfs/dbraw/zinc/50/56/41/569505641.db2.gz ZDNAYDRQINHNRI-UHFFFAOYSA-N 0 0 444.487 4.484 50 0 IIAARN Cc1ccc2c(COC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1 ZINC000009129418 569505702 /nfs/dbraw/zinc/50/57/02/569505702.db2.gz HBVVFIWCMWYGIN-UHFFFAOYSA-N 0 0 439.895 4.350 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C ZINC000009144725 569507327 /nfs/dbraw/zinc/50/73/27/569507327.db2.gz SNUUTHUHYZJDAS-UHFFFAOYSA-N 0 0 446.809 4.276 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1Cc1ccc(C)cc1)n2C ZINC000009153689 569508125 /nfs/dbraw/zinc/50/81/25/569508125.db2.gz XZSSTEPPVQMMDV-UHFFFAOYSA-N 0 0 439.515 4.318 50 0 IIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000009158169 569508466 /nfs/dbraw/zinc/50/84/66/569508466.db2.gz VSRDEJBRZDHAKU-DLBZAZTESA-N 0 0 442.306 4.385 50 0 IIAARN O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(CCCc2ccccc2)C1=O ZINC000009159491 569508561 /nfs/dbraw/zinc/50/85/61/569508561.db2.gz 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IIAARN Cn1nnnc1S[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009631173 569553716 /nfs/dbraw/zinc/55/37/16/569553716.db2.gz XDBLFJKNXCAXDU-CQSZACIVSA-N 0 0 427.839 4.354 50 0 IIAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009631736 569553826 /nfs/dbraw/zinc/55/38/26/569553826.db2.gz WCLMAGZYDDJVOS-UHFFFAOYSA-N 0 0 446.532 4.254 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1 ZINC000009632097 569553912 /nfs/dbraw/zinc/55/39/12/569553912.db2.gz GBDJQNHAYHMCBZ-UHFFFAOYSA-N 0 0 430.551 4.153 50 0 IIAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1Cl ZINC000009632477 569554040 /nfs/dbraw/zinc/55/40/40/569554040.db2.gz JRTFTLBKYRKYAN-GJZGRUSLSA-N 0 0 436.961 4.268 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3C2=O)c1 ZINC000009632610 569554045 /nfs/dbraw/zinc/55/40/45/569554045.db2.gz OCRQUZNLHOKGDS-QZTJIDSGSA-N 0 0 448.519 4.050 50 0 IIAARN CCn1c2ccccc2c(C(=O)COC(=O)Cn2c(C)csc2=O)c1-c1ccccc1 ZINC000009633220 569554155 /nfs/dbraw/zinc/55/41/55/569554155.db2.gz LQBHPCFAWASBQY-UHFFFAOYSA-N 0 0 434.517 4.286 50 0 IIAARN COc1ccc(-c2nc(CSc3nnc(Cc4ccccc4F)n3N)cs2)cc1 ZINC000009633119 569554201 /nfs/dbraw/zinc/55/42/01/569554201.db2.gz WCBIVPYYVUVAKT-UHFFFAOYSA-N 0 0 427.530 4.146 50 0 IIAARN COc1ccc(CN(Cc2cccs2)C(=O)c2nn(-c3ccccc3)nc2C)cc1OC ZINC000009633699 569554275 /nfs/dbraw/zinc/55/42/75/569554275.db2.gz ZMNBLNPMBWIXDW-UHFFFAOYSA-N 0 0 448.548 4.497 50 0 IIAARN COc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009635136 569554608 /nfs/dbraw/zinc/55/46/08/569554608.db2.gz ZLOYXSZWGIFXGX-GFCCVEGCSA-N 0 0 448.447 4.046 50 0 IIAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009635328 569554636 /nfs/dbraw/zinc/55/46/36/569554636.db2.gz FXEAWOBQWCOFQE-OAHLLOKOSA-N 0 0 443.500 4.074 50 0 IIAARN COC(=O)c1cc2c(cc1NC(=O)c1oc(=O)c3ccccc3c1-c1ccccc1)OCO2 ZINC000009636842 569554729 /nfs/dbraw/zinc/55/47/29/569554729.db2.gz ILTJZFAARFATAO-UHFFFAOYSA-N 0 0 443.411 4.228 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c(C)c1 ZINC000009638337 569554978 /nfs/dbraw/zinc/55/49/78/569554978.db2.gz MGVMYKBECDDYKN-HXUWFJFHSA-N 0 0 426.563 4.119 50 0 IIAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)cc4)n3)c2C)cc1Cl ZINC000009638323 569555011 /nfs/dbraw/zinc/55/50/11/569555011.db2.gz WNPFPBQUBNZBSP-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)ns2)c1 ZINC000009639071 569555074 /nfs/dbraw/zinc/55/50/74/569555074.db2.gz CBKFKPIIQYPBHM-UHFFFAOYSA-N 0 0 434.525 4.479 50 0 IIAARN CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(=O)OC)C1 ZINC000009639156 569555128 /nfs/dbraw/zinc/55/51/28/569555128.db2.gz LPFQKCWDBBWOGI-CMDGGOBGSA-N 0 0 448.928 4.355 50 0 IIAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(-c4ccc(Cl)cc4)n3N)nc(=O)c2c1C ZINC000009639407 569555225 /nfs/dbraw/zinc/55/52/25/569555225.db2.gz GIVWCPVILDEQOV-SNVBAGLBSA-N 0 0 432.962 4.080 50 0 IIAARN NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000009639475 569555235 /nfs/dbraw/zinc/55/52/35/569555235.db2.gz HCGZKVCJJAAXHS-UHFFFAOYSA-N 0 0 435.534 4.265 50 0 IIAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)s2)c1 ZINC000009646660 569556318 /nfs/dbraw/zinc/55/63/18/569556318.db2.gz WSJVEBWJCIQINL-LBPRGKRZSA-N 0 0 443.554 4.368 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)c1 ZINC000009659237 569556626 /nfs/dbraw/zinc/55/66/26/569556626.db2.gz IVRDIBRVNOEIFY-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)C1c2ccccc2Oc2ccccc21 ZINC000009660915 569556927 /nfs/dbraw/zinc/55/69/27/569556927.db2.gz NAGKGEKQGCXPPT-UHFFFAOYSA-N 0 0 441.462 4.103 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)C12CC3CC(CC(C3)C1)C2 ZINC000009662610 569557131 /nfs/dbraw/zinc/55/71/31/569557131.db2.gz IZVUJSMQGPBAHQ-HDDXYUSQSA-N 0 0 441.553 4.279 50 0 IIAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ccc(Br)cc1F ZINC000009665394 569557590 /nfs/dbraw/zinc/55/75/90/569557590.db2.gz QENCENASLDDNPY-UHFFFAOYSA-N 0 0 443.272 4.421 50 0 IIAARN COc1cccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)c1 ZINC000009665801 569557628 /nfs/dbraw/zinc/55/76/28/569557628.db2.gz BEUDEWXRVIZKAU-UHFFFAOYSA-N 0 0 443.528 4.076 50 0 IIAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009666838 569557776 /nfs/dbraw/zinc/55/77/76/569557776.db2.gz PFLXUGDZDNVGSL-LBPRGKRZSA-N 0 0 428.539 4.232 50 0 IIAARN CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@H]1c1ccco1 ZINC000009668205 569557920 /nfs/dbraw/zinc/55/79/20/569557920.db2.gz WFDCOYDJPQOENT-FQEVSTJZSA-N 0 0 443.912 4.431 50 0 IIAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)s1 ZINC000009672466 569558773 /nfs/dbraw/zinc/55/87/73/569558773.db2.gz CCTUFQHTAQGKPQ-UHFFFAOYSA-N 0 0 428.539 4.482 50 0 IIAARN COCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(Cl)cc1 ZINC000009674151 569559057 /nfs/dbraw/zinc/55/90/57/569559057.db2.gz QAGRYCBNVGDTLA-UHFFFAOYSA-N 0 0 431.945 4.260 50 0 IIAARN CCCCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009676424 569559443 /nfs/dbraw/zinc/55/94/43/569559443.db2.gz NZGVRVQVTNBBBF-ZEQRLZLVSA-N 0 0 436.552 4.189 50 0 IIAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)OCO3)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685799 569560687 /nfs/dbraw/zinc/56/06/87/569560687.db2.gz QJBRDNJDORKIIZ-UHFFFAOYSA-N 0 0 440.521 4.415 50 0 IIAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009691080 569561023 /nfs/dbraw/zinc/56/10/23/569561023.db2.gz KOBSXGZSIIGYIT-NDEPHWFRSA-N 0 0 438.527 4.438 50 0 IIAARN COc1cc(C)c(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C ZINC000009707419 569561528 /nfs/dbraw/zinc/56/15/28/569561528.db2.gz LRJICDXUAFSWJO-UHFFFAOYSA-N 0 0 449.532 4.120 50 0 IIAARN COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(Cl)c1OC(C)C ZINC000009709300 569562003 /nfs/dbraw/zinc/56/20/03/569562003.db2.gz BVTOYMLGVOHTPA-UHFFFAOYSA-N 0 0 427.892 4.377 50 0 IIAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000009712402 569562264 /nfs/dbraw/zinc/56/22/64/569562264.db2.gz SIFVTRWHBXLSCN-UHFFFAOYSA-N 0 0 433.460 4.105 50 0 IIAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(C(C)C)cc1 ZINC000009723275 569563628 /nfs/dbraw/zinc/56/36/28/569563628.db2.gz FXERTHVSATXCSZ-UHFFFAOYSA-N 0 0 440.569 4.292 50 0 IIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000009724494 569563731 /nfs/dbraw/zinc/56/37/31/569563731.db2.gz QTVJUTCXQYJTPC-SECBINFHSA-N 0 0 438.738 4.402 50 0 IIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)o3)cc2C1 ZINC000009729634 569564308 /nfs/dbraw/zinc/56/43/08/569564308.db2.gz CHFYXGVPAGAMMW-GFCCVEGCSA-N 0 0 443.550 4.060 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1-n1cccc1 ZINC000009738348 569564891 /nfs/dbraw/zinc/56/48/91/569564891.db2.gz MQIPTQPQPZGOIP-UHFFFAOYSA-N 0 0 447.520 4.000 50 0 IIAARN COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cn1 ZINC000009739078 569564958 /nfs/dbraw/zinc/56/49/58/569564958.db2.gz NYRLJZYYWSUCQK-NRFANRHFSA-N 0 0 448.910 4.205 50 0 IIAARN Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1NC(=O)C1=CSCCO1 ZINC000009739917 569565078 /nfs/dbraw/zinc/56/50/78/569565078.db2.gz HLJUGFSPELRKCV-UHFFFAOYSA-N 0 0 426.538 4.256 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000009744950 569565589 /nfs/dbraw/zinc/56/55/89/569565589.db2.gz DCJUFUYRFAZOOQ-LJQANCHMSA-N 0 0 435.977 4.403 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl ZINC000009752395 569566088 /nfs/dbraw/zinc/56/60/88/569566088.db2.gz BOBYQHJFBLYVTQ-ZYHUDNBSSA-N 0 0 447.413 4.405 50 0 IIAARN Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1F ZINC000009761438 569566251 /nfs/dbraw/zinc/56/62/51/569566251.db2.gz ODTZWUSHIBNWEL-UHFFFAOYSA-N 0 0 437.418 4.430 50 0 IIAARN CCOc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 ZINC000009761480 569566262 /nfs/dbraw/zinc/56/62/62/569566262.db2.gz AUGJPELJCFOVRC-UHFFFAOYSA-N 0 0 429.929 4.324 50 0 IIAARN CS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1 ZINC000009764086 569566729 /nfs/dbraw/zinc/56/67/29/569566729.db2.gz QKVYPXPFIJXZMA-UHFFFAOYSA-N 0 0 443.333 4.422 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccs1)[C@@H](c1cccs1)N(C)C2=O ZINC000009776634 569567075 /nfs/dbraw/zinc/56/70/75/569567075.db2.gz YMTJKBKSPHDKTB-VQTJNVASSA-N 0 0 442.562 4.054 50 0 IIAARN Cc1cccc(-n2c(SCc3ncc(-c4ccccc4)o3)nnc2N2CCOCC2)c1 ZINC000009777510 569567179 /nfs/dbraw/zinc/56/71/79/569567179.db2.gz DJYBDZQHYGZTHS-UHFFFAOYSA-N 0 0 433.537 4.360 50 0 IIAARN Cc1cccc(-n2c(S[C@H](C)c3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)c1 ZINC000009780016 569567428 /nfs/dbraw/zinc/56/74/28/569567428.db2.gz RTEVLOGJLRBWHD-QGZVFWFLSA-N 0 0 448.552 4.316 50 0 IIAARN O=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccccc1Oc1ccccc1 ZINC000009783722 569567821 /nfs/dbraw/zinc/56/78/21/569567821.db2.gz JAYCGFRLGCIBAH-FQEVSTJZSA-N 0 0 445.519 4.438 50 0 IIAARN Cc1c(NC(=O)c2cccc(NC(=O)C[C@@H]3C=CCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009783572 569567844 /nfs/dbraw/zinc/56/78/44/569567844.db2.gz SBYAVOYBUPERBO-GOSISDBHSA-N 0 0 430.508 4.032 50 0 IIAARN COc1ccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1F 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COc1cc2c(cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O)oc1ccccc12 ZINC000023132107 523016144 /nfs/dbraw/zinc/01/61/44/523016144.db2.gz WRQCHMJXJAFDMB-UHFFFAOYSA-N 0 0 438.505 4.308 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3ccc(Br)cc31)CC2 ZINC000012664603 523024993 /nfs/dbraw/zinc/02/49/93/523024993.db2.gz SIVAPEWCVOFOHX-UHFFFAOYSA-N 0 0 443.341 4.396 50 0 biogenic IIAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000033124735 523037991 /nfs/dbraw/zinc/03/79/91/523037991.db2.gz JMQSDMZVXVCMNB-GOSISDBHSA-N 0 0 445.878 4.138 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1cc(F)ccc1F)CC2 ZINC000012809558 523042948 /nfs/dbraw/zinc/04/29/48/523042948.db2.gz NMRLUQMXUNWCCE-HSZRJFAPSA-N 0 0 445.487 4.318 50 0 IIAARN CCn1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C2CCC2)c(C)c1C(=O)OC ZINC000036025603 523122104 /nfs/dbraw/zinc/12/21/04/523122104.db2.gz QBXIBRIJTBWEQJ-KRWDZBQOSA-N 0 0 442.531 4.451 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)c(C)c3)n2)cc1 ZINC000021726768 523157963 /nfs/dbraw/zinc/15/79/63/523157963.db2.gz JMCCLPICRGDXNV-HXUWFJFHSA-N 0 0 440.507 4.132 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CN3C(=S)N=NC3c3ccc(C)cc3)n2)cc1 ZINC000012923495 523166873 /nfs/dbraw/zinc/16/68/73/523166873.db2.gz LHSDPGGLDWQHPH-UHFFFAOYSA-N 0 0 437.550 4.313 50 0 IIAARN COc1ccc(-c2nc(COC(=O)Cn3c4ccccc4nc3C(F)(F)F)co2)cc1 ZINC000012627250 523210278 /nfs/dbraw/zinc/21/02/78/523210278.db2.gz HNJBTUJTWHIIRJ-UHFFFAOYSA-N 0 0 431.370 4.462 50 0 IIAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)COc1cccc2ccccc21 ZINC000012927788 523214025 /nfs/dbraw/zinc/21/40/25/523214025.db2.gz QSTKGRNMWXKYIE-UHFFFAOYSA-N 0 0 430.426 4.169 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c2ccccc2O1 ZINC000020902380 523228979 /nfs/dbraw/zinc/22/89/79/523228979.db2.gz BLSXEULXQPFPET-QFIPXVFZSA-N 0 0 433.552 4.081 50 0 IIAARN COC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 ZINC000035396366 523233819 /nfs/dbraw/zinc/23/38/19/523233819.db2.gz SJIJHOMLJSIWIC-LICLKQGHSA-N 0 0 446.912 4.007 50 0 IIAARN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843566 523237059 /nfs/dbraw/zinc/23/70/59/523237059.db2.gz QFHCNQKDDMRLDX-QHCPKHFHSA-N 0 0 449.016 4.461 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2C)cc1 ZINC000012599375 523260543 /nfs/dbraw/zinc/26/05/43/523260543.db2.gz CZDVNEUPSVSSTP-INIZCTEOSA-N 0 0 436.581 4.339 50 0 IIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1csc(-c2ccsc2)n1 ZINC000012559172 523273107 /nfs/dbraw/zinc/27/31/07/523273107.db2.gz JGLSQMSDAMXTDY-UHFFFAOYSA-N 0 0 436.609 4.181 50 0 IIAARN COc1ccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000033004388 523278185 /nfs/dbraw/zinc/27/81/85/523278185.db2.gz IBGGZZMNJVMDRP-UHFFFAOYSA-N 0 0 443.507 4.142 50 0 IIAARN COc1ccc(-c2noc(-c3nnn(-c4ccccc4Br)c3C)n2)cc1OC ZINC000015731625 523278283 /nfs/dbraw/zinc/27/82/83/523278283.db2.gz XRLDMYYAMFEQOZ-UHFFFAOYSA-N 0 0 442.273 4.072 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2C1=O ZINC000012922985 523294109 /nfs/dbraw/zinc/29/41/09/523294109.db2.gz DDROWWBEPZKMLQ-UHFFFAOYSA-N 0 0 449.532 4.312 50 0 IIAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)n2)cc1OC ZINC000020847913 523297396 /nfs/dbraw/zinc/29/73/96/523297396.db2.gz RZKUVUAJQRPMLY-UHFFFAOYSA-N 0 0 436.512 4.226 50 0 IIAARN CO[C@@H](C(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000012193459 523314172 /nfs/dbraw/zinc/31/41/72/523314172.db2.gz HMHKPOBPYXCLKH-HSZRJFAPSA-N 0 0 428.960 4.363 50 0 IIAARN CCn1cc(C(=O)CSc2nnc(COc3ccccc3OC)n2C)c2ccccc21 ZINC000057291702 523324227 /nfs/dbraw/zinc/32/42/27/523324227.db2.gz UYTPUJXNAXNAFB-UHFFFAOYSA-N 0 0 436.537 4.352 50 0 IIAARN CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000020604195 523368708 /nfs/dbraw/zinc/36/87/08/523368708.db2.gz GURWQDISFLIYHY-UHFFFAOYSA-N 0 0 440.388 4.118 50 0 IIAARN COc1ccc(/C=C/C(=O)NC[C@H]2Cc3c(c(-c4nc(C)cnc4C)ccc3F)O2)cc1 ZINC000012217845 523391015 /nfs/dbraw/zinc/39/10/15/523391015.db2.gz LCMMKWCKCVUZJV-SSGOSMAHSA-N 0 0 433.483 4.041 50 0 IIAARN COc1ccc(/C=C/c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1 ZINC000035460026 523404059 /nfs/dbraw/zinc/40/40/59/523404059.db2.gz RUFRCNKYIKQNCO-IZZDOVSWSA-N 0 0 443.507 4.278 50 0 IIAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)S(=O)(=O)N1CCCC1 ZINC000012785511 523491216 /nfs/dbraw/zinc/49/12/16/523491216.db2.gz UXCJKBXJDJVAMS-UHFFFAOYSA-N 0 0 444.988 4.024 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000021707846 523494470 /nfs/dbraw/zinc/49/44/70/523494470.db2.gz WSAOYEHMHREVII-UHFFFAOYSA-N 0 0 428.330 4.235 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000021913188 523495233 /nfs/dbraw/zinc/49/52/33/523495233.db2.gz ZBGNVLGOIGVVAW-UHFFFAOYSA-N 0 0 430.302 4.099 50 0 IIAARN COCCCn1c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605244 523502015 /nfs/dbraw/zinc/50/20/15/523502015.db2.gz SRMNJSFIIWDFSO-UHFFFAOYSA-N 0 0 437.468 4.112 50 0 IIAARN COc1ccc(C(=O)C2CCN(Cn3nc(-c4ccc(OC)cc4)[nH]c3=S)CC2)cc1 ZINC000012758513 523574623 /nfs/dbraw/zinc/57/46/23/523574623.db2.gz SOYUCLGGEXCVJQ-UHFFFAOYSA-N 0 0 438.553 4.177 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc1 ZINC000035948569 523599878 /nfs/dbraw/zinc/59/98/78/523599878.db2.gz CUCPIAMBAVGSIV-NRFANRHFSA-N 0 0 433.533 4.207 50 0 IIAARN COc1ccc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)o1 ZINC000012431004 523623302 /nfs/dbraw/zinc/62/33/02/523623302.db2.gz AMBCROLXDPJJLC-UHFFFAOYSA-N 0 0 438.568 4.402 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000021469569 523648835 /nfs/dbraw/zinc/64/88/35/523648835.db2.gz KZGPCRPZIWLHEJ-UHFFFAOYSA-N 0 0 445.544 4.192 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)NCC(C)C)C2)cc1 ZINC000036041904 523669472 /nfs/dbraw/zinc/66/94/72/523669472.db2.gz RLMNKGUOFFBNKZ-LEWJYISDSA-N 0 0 448.485 4.342 50 0 IIAARN CCn1ncc(Cl)c1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000036616523 523692110 /nfs/dbraw/zinc/69/21/10/523692110.db2.gz NEGWQDSFGLFXPI-UHFFFAOYSA-N 0 0 434.931 4.406 50 0 IIAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000016031469 523744229 /nfs/dbraw/zinc/74/42/29/523744229.db2.gz RJFDXCUONBRXBN-CYBMUJFWSA-N 0 0 429.856 4.229 50 0 IIAARN CCc1cc(C)cc(OCCOc2ccc([C@H]3SC(NC(C)=O)=NN3C(C)=O)cc2)c1 ZINC000020895427 523786329 /nfs/dbraw/zinc/78/63/29/523786329.db2.gz LTONLWKUQHKNSZ-JOCHJYFZSA-N 0 0 441.553 4.016 50 0 IIAARN COc1ccc(C)cc1CN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000012766104 523808164 /nfs/dbraw/zinc/80/81/64/523808164.db2.gz BBEVZQULZKILSV-UHFFFAOYSA-N 0 0 425.554 4.082 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCCC2 ZINC000020721685 523809835 /nfs/dbraw/zinc/80/98/35/523809835.db2.gz MRASPKFXVOYCIM-QHCPKHFHSA-N 0 0 434.536 4.417 50 0 IIAARN COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000012525295 523824436 /nfs/dbraw/zinc/82/44/36/523824436.db2.gz VOFCNSBEGVAXQN-UHFFFAOYSA-N 0 0 428.492 4.019 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(OC)c3)CC2)cc1 ZINC000035887677 523887119 /nfs/dbraw/zinc/88/71/19/523887119.db2.gz DIZJZNXFRMZVLC-UHFFFAOYSA-N 0 0 444.579 4.218 50 0 IIAARN COCCN1c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2Sc2ccccc2C1=O ZINC000021355470 523888932 /nfs/dbraw/zinc/88/89/32/523888932.db2.gz YNCAZUIIUVYDBG-UHFFFAOYSA-N 0 0 448.548 4.299 50 0 IIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579701 523898684 /nfs/dbraw/zinc/89/86/84/523898684.db2.gz QUYKVDJRFSFMRT-UHFFFAOYSA-N 0 0 443.478 4.276 50 0 IIAARN COc1ccc(CC(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)cc1OC ZINC000012456480 523902333 /nfs/dbraw/zinc/90/23/33/523902333.db2.gz UUCMMECZLYAXKB-LJQANCHMSA-N 0 0 438.911 4.082 50 0 IIAARN COc1ccc(CCC(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)cc1 ZINC000022499470 523926526 /nfs/dbraw/zinc/92/65/26/523926526.db2.gz MAXVWXPWYTWAFC-UHFFFAOYSA-N 0 0 431.467 4.413 50 0 IIAARN CCc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000035403631 523932582 /nfs/dbraw/zinc/93/25/82/523932582.db2.gz FMJSYSHCTKNTGA-UHFFFAOYSA-N 0 0 428.580 4.457 50 0 IIAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000012802635 523951464 /nfs/dbraw/zinc/95/14/64/523951464.db2.gz ZRQDVRCUENCTHQ-UHFFFAOYSA-N 0 0 433.577 4.025 50 0 IIAARN COc1ccc(CCNC(=O)c2ccccc2Cc2cc3ccccc3c(=O)o2)cc1OC ZINC000012296452 523970395 /nfs/dbraw/zinc/97/03/95/523970395.db2.gz CNBHKYWSWBQETB-UHFFFAOYSA-N 0 0 443.499 4.374 50 0 biogenic IIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNc2ccc(C)cc2C)cc1 ZINC000021884788 523971281 /nfs/dbraw/zinc/97/12/81/523971281.db2.gz AMYZLXZMTDSTSS-UHFFFAOYSA-N 0 0 431.536 4.335 50 0 IIAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1 ZINC000021872162 523975115 /nfs/dbraw/zinc/97/51/15/523975115.db2.gz MKSZRSYSRBSNCK-JOCHJYFZSA-N 0 0 428.492 4.010 50 0 IIAARN CCc1ccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)cc1 ZINC000013361227 523988349 /nfs/dbraw/zinc/98/83/49/523988349.db2.gz GAIQLULWKFSVPW-UHFFFAOYSA-N 0 0 438.538 4.273 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000020564588 523988755 /nfs/dbraw/zinc/98/87/55/523988755.db2.gz RZZYCNLYPAHCKU-WMLDXEAASA-N 0 0 440.979 4.217 50 0 IIAARN CCc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 ZINC000012063031 523993343 /nfs/dbraw/zinc/99/33/43/523993343.db2.gz ZDXXZMIPFYSBHC-UHFFFAOYSA-N 0 0 429.929 4.227 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 ZINC000035378624 524004214 /nfs/dbraw/zinc/00/42/14/524004214.db2.gz AEYWSDAECWQVEB-UHFFFAOYSA-N 0 0 447.491 4.063 50 0 IIAARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000012732764 524009975 /nfs/dbraw/zinc/00/99/75/524009975.db2.gz GNQLBXJBJTWOCE-CYBMUJFWSA-N 0 0 442.434 4.070 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856864 524021203 /nfs/dbraw/zinc/02/12/03/524021203.db2.gz PTMUYKKWDJELNY-AREMUKBSSA-N 0 0 431.536 4.123 50 0 IIAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000020622377 524025392 /nfs/dbraw/zinc/02/53/92/524025392.db2.gz OUTUFTUYHVIXOP-NYQDVAGCSA-N 0 0 435.886 4.250 50 0 IIAARN COc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1OC ZINC000022804998 524032246 /nfs/dbraw/zinc/03/22/46/524032246.db2.gz ZMNKHTGJZAAGCE-UHFFFAOYSA-N 0 0 448.592 4.398 50 0 IIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000036048255 524039115 /nfs/dbraw/zinc/03/91/15/524039115.db2.gz FETIUDWJRNOHCS-DEOSSOPVSA-N 0 0 446.547 4.242 50 0 biogenic IIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4ccccc4)ccc3O[C@H](C)C2=O)cc1 ZINC000035885023 524042641 /nfs/dbraw/zinc/04/26/41/524042641.db2.gz CJIRUPVZOUUXQI-GOSISDBHSA-N 0 0 430.504 4.186 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c(OC)c1 ZINC000035398542 524046081 /nfs/dbraw/zinc/04/60/81/524046081.db2.gz LIOZNTFMNAJPLI-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)c(OC)c1 ZINC000012297273 524048177 /nfs/dbraw/zinc/04/81/77/524048177.db2.gz YTWFZNXCYCLGIH-HXUWFJFHSA-N 0 0 428.573 4.229 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)c(OC)c1 ZINC000035398004 524064251 /nfs/dbraw/zinc/06/42/51/524064251.db2.gz KJKFRSCWEAEOMR-FQEVSTJZSA-N 0 0 446.551 4.002 50 0 IIAARN COc1ccc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)cc1 ZINC000014960176 524068104 /nfs/dbraw/zinc/06/81/04/524068104.db2.gz NHCBFSXAJYRZIT-UHFFFAOYSA-N 0 0 439.519 4.065 50 0 IIAARN CCc1cccc(N2C[C@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)c1 ZINC000012931724 524071895 /nfs/dbraw/zinc/07/18/95/524071895.db2.gz ZWMHUFJEWFKDHH-HXUWFJFHSA-N 0 0 443.551 4.226 50 0 IIAARN COc1ccc(CSC2=Nc3cc(OC)c(OC)cc3C3=NC(=O)[C@H](C(C)C)N32)cc1 ZINC000012856218 524123718 /nfs/dbraw/zinc/12/37/18/524123718.db2.gz VDRLEEOGZPBLDQ-FQEVSTJZSA-N 0 0 439.537 4.260 50 0 IIAARN Cc1cccc(-c2nnc([C@H](C)Sc3ccc(S(=O)(=O)N4CCCC4)cn3)o2)c1 ZINC000017982198 524128039 /nfs/dbraw/zinc/12/80/39/524128039.db2.gz AWANOBCNEDPTRB-HNNXBMFYSA-N 0 0 430.555 4.078 50 0 IIAARN Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc(C)c(N3CCNC3=O)c2)c1C ZINC000012707176 524147861 /nfs/dbraw/zinc/14/78/61/524147861.db2.gz QAJGVTXRJCYFKX-OAQYLSRUSA-N 0 0 443.551 4.135 50 0 IIAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C)C[C@H]2CCCO2)c1 ZINC000035944747 524166606 /nfs/dbraw/zinc/16/66/06/524166606.db2.gz TYCZUQLUALYIKT-HSZRJFAPSA-N 0 0 437.584 4.477 50 0 IIAARN COc1ccc(Cc2noc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)n2)cc1OC ZINC000012835309 524171424 /nfs/dbraw/zinc/17/14/24/524171424.db2.gz UISVDZZAULWJNE-UHFFFAOYSA-N 0 0 447.539 4.112 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036055221 524179406 /nfs/dbraw/zinc/17/94/06/524179406.db2.gz WDQWUUNPEWFTEB-NHCUHLMSSA-N 0 0 439.556 4.032 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cscn2)c1OC ZINC000012442821 524188119 /nfs/dbraw/zinc/18/81/19/524188119.db2.gz KRMLMEMJEXZEQT-QHCPKHFHSA-N 0 0 433.533 4.358 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cnc(C)cn2)c1OC ZINC000012835540 524188743 /nfs/dbraw/zinc/18/87/43/524188743.db2.gz BDGIKKUKKALYTC-QHCPKHFHSA-N 0 0 428.492 4.071 50 0 IIAARN COc1ccc(Cl)cc1C(=O)NCCc1csc2nc(-c3ccc(C)cc3)nn12 ZINC000020556827 524197339 /nfs/dbraw/zinc/19/73/39/524197339.db2.gz DUWXNTVPWNNLBI-UHFFFAOYSA-N 0 0 426.929 4.401 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 ZINC000013944358 524199599 /nfs/dbraw/zinc/19/95/99/524199599.db2.gz BMSPMKSNEUEZTD-ZDUSSCGKSA-N 0 0 442.928 4.281 50 0 IIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000020565435 524209086 /nfs/dbraw/zinc/20/90/86/524209086.db2.gz MTAFWSVXSCKTKE-UHFFFAOYSA-N 0 0 428.454 4.220 50 0 IIAARN Cc1cccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1O ZINC000012589400 524225016 /nfs/dbraw/zinc/22/50/16/524225016.db2.gz MUDJBIXFOSVJMF-IBGZPJMESA-N 0 0 438.867 4.482 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCCCC3)sc21 ZINC000035532802 524227291 /nfs/dbraw/zinc/22/72/91/524227291.db2.gz DWDBRUHCBATXBT-UHFFFAOYSA-N 0 0 449.989 4.469 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)CCCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032995433 524240528 /nfs/dbraw/zinc/24/05/28/524240528.db2.gz FQKZGKCVIMRKIH-MRXNPFEDSA-N 0 0 440.544 4.390 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607431 524240924 /nfs/dbraw/zinc/24/09/24/524240924.db2.gz CIQDHAFLWFCFRR-GOSISDBHSA-N 0 0 449.016 4.019 50 0 IIAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012821545 524246331 /nfs/dbraw/zinc/24/63/31/524246331.db2.gz QOCITECVVVPNRP-HNNXBMFYSA-N 0 0 434.367 4.349 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012821547 524269631 /nfs/dbraw/zinc/26/96/31/524269631.db2.gz PMWHBFJUDXIYGF-HNNXBMFYSA-N 0 0 434.367 4.349 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1sccc1-c1ccccc1 ZINC000021373501 524278144 /nfs/dbraw/zinc/27/81/44/524278144.db2.gz UYLKLFIGVVGXKU-QGZVFWFLSA-N 0 0 436.533 4.332 50 0 IIAARN Cc1cccc(C)c1OCc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)n1N ZINC000021629060 524321096 /nfs/dbraw/zinc/32/10/96/524321096.db2.gz QJMBWYDBNVUFAL-UHFFFAOYSA-N 0 0 446.960 4.295 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ncccc3O)ccc2C)c(C)c1 ZINC000012526015 524325092 /nfs/dbraw/zinc/32/50/92/524325092.db2.gz OOKKOKZMQIKVOP-UHFFFAOYSA-N 0 0 425.510 4.074 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccc(Cl)cc1 ZINC000012554609 524347753 /nfs/dbraw/zinc/34/77/53/524347753.db2.gz LCKHKEYFNIQGJC-UHFFFAOYSA-N 0 0 429.929 4.291 50 0 IIAARN Cc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000035833189 524358935 /nfs/dbraw/zinc/35/89/35/524358935.db2.gz VIXQFCPBENTXFW-RYRKJORJSA-N 0 0 430.397 4.102 50 0 IIAARN COc1ccccc1C(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033068232 524360477 /nfs/dbraw/zinc/36/04/77/524360477.db2.gz CQWVYNINJZPVFV-UHFFFAOYSA-N 0 0 435.867 4.188 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000012813128 524364368 /nfs/dbraw/zinc/36/43/68/524364368.db2.gz JBLXLJQITFVPAC-BETUJISGSA-N 0 0 441.347 4.246 50 0 IIAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1 ZINC000035912326 524389762 /nfs/dbraw/zinc/38/97/62/524389762.db2.gz ZSLAZLDYQUTOOM-DEOSSOPVSA-N 0 0 448.500 4.455 50 0 IIAARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)c1 ZINC000012377819 524417051 /nfs/dbraw/zinc/41/70/51/524417051.db2.gz VMTBMUDBIDKAQL-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)o1 ZINC000021858277 524432376 /nfs/dbraw/zinc/43/23/76/524432376.db2.gz QDQUYWYVPKPBJP-AREMUKBSSA-N 0 0 427.504 4.274 50 0 IIAARN COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC000012754434 524433336 /nfs/dbraw/zinc/43/33/36/524433336.db2.gz WRZXKUBNGHPXRM-UHFFFAOYSA-N 0 0 442.512 4.216 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810569 524446068 /nfs/dbraw/zinc/44/60/68/524446068.db2.gz OEBKCQIXSJRFBB-VWLOTQADSA-N 0 0 435.524 4.107 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021809493 524447479 /nfs/dbraw/zinc/44/74/79/524447479.db2.gz KVOMSEFSORSXKE-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)NC3CCC(NC(=O)C(C)C)CC3)cs2)c1 ZINC000034905452 524452788 /nfs/dbraw/zinc/45/27/88/524452788.db2.gz NSJFRZANYHUHFR-UHFFFAOYSA-N 0 0 429.586 4.152 50 0 IIAARN COc1ccccc1CN1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@@H](C)C1=O ZINC000035885054 524458292 /nfs/dbraw/zinc/45/82/92/524458292.db2.gz KOTLXKAPKSHOEG-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN COc1ccccc1CNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565222 524467184 /nfs/dbraw/zinc/46/71/84/524467184.db2.gz AOJWBBXMFBMFSM-UHFFFAOYSA-N 0 0 448.548 4.093 50 0 IIAARN COc1ccccc1CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O ZINC000012854027 524467781 /nfs/dbraw/zinc/46/77/81/524467781.db2.gz XAHHSZWHYAFYDH-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cn3cc4ccccc4n3)C2)c(C)c1 ZINC000012755414 524484254 /nfs/dbraw/zinc/48/42/54/524484254.db2.gz QHMZSLJPKNAVBF-LJQANCHMSA-N 0 0 434.540 4.011 50 0 IIAARN COc1ccccc1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000020672916 524492480 /nfs/dbraw/zinc/49/24/80/524492480.db2.gz BZYSEDWYUADOFU-UHFFFAOYSA-N 0 0 429.567 4.143 50 0 IIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)N4CCCC[C@@H]4C)nc-3c3cc(F)ccc32)c1 ZINC000020937091 524495742 /nfs/dbraw/zinc/49/57/42/524495742.db2.gz UMEDINJKIJVNLZ-SFHVURJKSA-N 0 0 446.526 4.200 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3scc(CC(C)C)c3c(N)n2)c(OC)c1 ZINC000012324552 524510918 /nfs/dbraw/zinc/51/09/18/524510918.db2.gz UVANKAQKPINMMV-UHFFFAOYSA-N 0 0 432.571 4.220 50 0 IIAARN Cc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020850939 524512196 /nfs/dbraw/zinc/51/21/96/524512196.db2.gz WPWSSUHKDHECDM-VWLOTQADSA-N 0 0 448.588 4.298 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1-c1nc(-c2cccc(Cl)c2)no1 ZINC000012415507 524512983 /nfs/dbraw/zinc/51/29/83/524512983.db2.gz HSQOKCKPJAEBRB-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)cc1 ZINC000033308634 524538913 /nfs/dbraw/zinc/53/89/13/524538913.db2.gz LXPOVRMAYUFYKS-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(F)ccc2Br)C[C@H](C)O1 ZINC000012765295 524542833 /nfs/dbraw/zinc/54/28/33/524542833.db2.gz RYNSUIQNBIDGMX-STQMWFEESA-N 0 0 435.293 4.090 50 0 IIAARN Cc1ccc(CNC(=O)[C@H](C)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000020937491 524547992 /nfs/dbraw/zinc/54/79/92/524547992.db2.gz OGIYXALCMMWSPM-IBGZPJMESA-N 0 0 439.581 4.002 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3c(N4CCCC4=O)c4cc(F)ccc4n3C)C[C@H]2C)c1 ZINC000015681716 524550509 /nfs/dbraw/zinc/55/05/09/524550509.db2.gz YONISIVHBRNFBA-GOSISDBHSA-N 0 0 448.542 4.104 50 0 IIAARN COc1ccc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)c(OC)c1 ZINC000033263800 524565155 /nfs/dbraw/zinc/56/51/55/524565155.db2.gz DYEUIJQEHAPMOA-UHFFFAOYSA-N 0 0 449.486 4.466 50 0 IIAARN 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/nfs/dbraw/zinc/31/83/07/556318307.db2.gz DXACTOAWRZIIRO-UHFFFAOYSA-N 0 0 447.066 4.454 50 0 IIAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759210 556318824 /nfs/dbraw/zinc/31/88/24/556318824.db2.gz TUAZYZDSWDVKGR-AWEZNQCLSA-N 0 0 431.945 4.019 50 0 IIAARN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1 ZINC000013856833 556321374 /nfs/dbraw/zinc/32/13/74/556321374.db2.gz QHDQNJNMMVSLOM-ZDUSSCGKSA-N 0 0 433.291 4.079 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(Br)o4)c3)nn12 ZINC000010010272 556322099 /nfs/dbraw/zinc/32/20/99/556322099.db2.gz RDUJMKWSRBUIRX-UHFFFAOYSA-N 0 0 448.302 4.032 50 0 IIAARN Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4n3C(F)F)CC2=O)c1C ZINC000032753506 556322888 /nfs/dbraw/zinc/32/28/88/556322888.db2.gz YGUAUEARWDQLGY-INIZCTEOSA-N 0 0 426.467 4.060 50 0 IIAARN Cc1cccnc1-n1c(=O)c2ccccc2nc1SCc1noc(-c2ccsc2)n1 ZINC000032754541 556323652 /nfs/dbraw/zinc/32/36/52/556323652.db2.gz NJHVUUKOIUJEAL-UHFFFAOYSA-N 0 0 433.518 4.493 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(OC)cc2)C1=O ZINC000010059103 556323734 /nfs/dbraw/zinc/32/37/34/556323734.db2.gz CBYGRVVCFBSXTJ-NRFANRHFSA-N 0 0 432.314 4.065 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1 ZINC000013881503 556326344 /nfs/dbraw/zinc/32/63/44/556326344.db2.gz BMYIWHWPUMMEOV-HSZRJFAPSA-N 0 0 443.503 4.100 50 0 IIAARN COc1ccc(-c2noc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1OC ZINC000010273836 556329039 /nfs/dbraw/zinc/32/90/39/556329039.db2.gz QVARRLLDJOUUDC-UHFFFAOYSA-N 0 0 431.374 4.329 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NCc3cccnc3-n3ccnc3)c2oc1-c1ccccc1 ZINC000032778076 556331259 /nfs/dbraw/zinc/33/12/59/556331259.db2.gz ODNFXIGPESWPCS-UHFFFAOYSA-N 0 0 436.471 4.279 50 0 IIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4cccs4)no3)C2=O)cc1C ZINC000032765078 556332542 /nfs/dbraw/zinc/33/25/42/556332542.db2.gz ZLLKSIWXDVEOCT-DEOSSOPVSA-N 0 0 444.516 4.411 50 0 IIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)[C@H]2Cc3ccccc3O2)sc1C ZINC000032768482 556333263 /nfs/dbraw/zinc/33/32/63/556333263.db2.gz YKDGOXJDGJUCOG-HXUWFJFHSA-N 0 0 436.533 4.208 50 0 IIAARN COc1cc(CN(C(=O)c2cccc(N3CCCC3=O)c2)C2CC2)ccc1OC(F)F ZINC000032772489 556335270 /nfs/dbraw/zinc/33/52/70/556335270.db2.gz ZXWMENMJLXGHOX-UHFFFAOYSA-N 0 0 430.451 4.228 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(F)cc4)s3)CC2=O)cc1Cl ZINC000013942522 556340048 /nfs/dbraw/zinc/34/00/48/556340048.db2.gz VQIFNRYVLHIWLF-CYBMUJFWSA-N 0 0 430.892 4.412 50 0 IIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C(C)=O)n[nH]2)c(F)c1 ZINC000011663317 556344362 /nfs/dbraw/zinc/34/43/62/556344362.db2.gz FUWPLVBIFREPNG-HSZRJFAPSA-N 0 0 432.455 4.029 50 0 IIAARN Clc1cc(Br)ccc1OCc1ccc(-c2nc3c4cnnc-4ncn3[nH]2)o1 ZINC000013959754 556346705 /nfs/dbraw/zinc/34/67/05/556346705.db2.gz WUGNMWMXLLXKDM-UHFFFAOYSA-N 0 0 445.664 4.256 50 0 IIAARN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCC[C@H]1CCn1cccn1 ZINC000011715050 556348060 /nfs/dbraw/zinc/34/80/60/556348060.db2.gz ZVDVJZUTPOGOQO-NRFANRHFSA-N 0 0 434.540 4.414 50 0 IIAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000032778243 556350938 /nfs/dbraw/zinc/35/09/38/556350938.db2.gz SPLYPALKOUJNBH-UHFFFAOYSA-N 0 0 441.535 4.055 50 0 IIAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(Cc2ccccc2F)CC1 ZINC000013987185 556352235 /nfs/dbraw/zinc/35/22/35/556352235.db2.gz MJCDVDYOKWMFJW-VWLOTQADSA-N 0 0 444.506 4.238 50 0 IIAARN CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)cc2)c1 ZINC000011785183 556352808 /nfs/dbraw/zinc/35/28/08/556352808.db2.gz HLFYVWKENXNCLU-QFIPXVFZSA-N 0 0 428.496 4.074 50 0 IIAARN O=C(Cc1ccc2ccccc2c1)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011785989 556353431 /nfs/dbraw/zinc/35/34/31/556353431.db2.gz OSRKURUJENVQQG-RUZDIDTESA-N 0 0 441.575 4.155 50 0 IIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CCN(C(=O)C2CC2)CC1 ZINC000014019127 556356217 /nfs/dbraw/zinc/35/62/17/556356217.db2.gz WSQKICHEWKPJDO-FQEVSTJZSA-N 0 0 432.351 4.227 50 0 IIAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)N2CCCCCC2)n1Cc1ccccc1)N(C)C ZINC000014022764 556357008 /nfs/dbraw/zinc/35/70/08/556357008.db2.gz YTJKJPNONQZPBB-QUCCMNQESA-N 0 0 429.634 4.222 50 0 IIAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000014068698 556359952 /nfs/dbraw/zinc/35/99/52/556359952.db2.gz SVDKTRYNAMKCQO-FPOVZHCZSA-N 0 0 435.524 4.065 50 0 IIAARN C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000032796774 556362460 /nfs/dbraw/zinc/36/24/60/556362460.db2.gz MIOUXBKVCRVJBL-NSHDSACASA-N 0 0 448.741 4.034 50 0 IIAARN C[C@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1Cl ZINC000011840530 556364833 /nfs/dbraw/zinc/36/48/33/556364833.db2.gz MWWZVKWABDHOBG-INIZCTEOSA-N 0 0 443.975 4.275 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1 ZINC000014094556 556366452 /nfs/dbraw/zinc/36/64/52/556366452.db2.gz MJIHBZIIAJQBSM-UHFFFAOYSA-N 0 0 426.523 4.460 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n2C)c1 ZINC000014094536 556366534 /nfs/dbraw/zinc/36/65/34/556366534.db2.gz VPBBSRRULZQBAY-UHFFFAOYSA-N 0 0 436.581 4.064 50 0 IIAARN Cc1nc2ccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2nc1C ZINC000032808739 556369501 /nfs/dbraw/zinc/36/95/01/556369501.db2.gz BIDYCVABAOKURR-UHFFFAOYSA-N 0 0 428.458 4.223 50 0 IIAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)NCCSc3ccccc3)c(=O)c12 ZINC000014117056 556370962 /nfs/dbraw/zinc/37/09/62/556370962.db2.gz WONSWUPZTKFBDV-UHFFFAOYSA-N 0 0 435.574 4.342 50 0 IIAARN COc1cc(C[C@@]2(CCC(=O)NCCc3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011881296 556372834 /nfs/dbraw/zinc/37/28/34/556372834.db2.gz FACYUGLABMLZEA-HHHXNRCGSA-N 0 0 448.538 4.318 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000014127769 556373459 /nfs/dbraw/zinc/37/34/59/556373459.db2.gz FDAQKOYYVPLQFS-UHFFFAOYSA-N 0 0 448.438 4.050 50 0 IIAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@@H]1CCC2(CCN(C(=O)CC(C)C)CC2)O1 ZINC000011910157 556374710 /nfs/dbraw/zinc/37/47/10/556374710.db2.gz SFAXPINJDMADEI-SFHVURJKSA-N 0 0 445.991 4.446 50 0 IIAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)cc(OC)c1 ZINC000011932826 556376543 /nfs/dbraw/zinc/37/65/43/556376543.db2.gz XIENJECPSPIKIU-MRXNPFEDSA-N 0 0 444.503 4.123 50 0 IIAARN COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C ZINC000011933441 556376860 /nfs/dbraw/zinc/37/68/60/556376860.db2.gz XXMSGPPDXQGKRU-UHFFFAOYSA-N 0 0 436.487 4.069 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000011935291 556377924 /nfs/dbraw/zinc/37/79/24/556377924.db2.gz DBHOZLMNCFYMJI-IBGZPJMESA-N 0 0 443.853 4.110 50 0 IIAARN CCc1nc(C)ccc1OCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011936957 556379095 /nfs/dbraw/zinc/37/90/95/556379095.db2.gz JBKVFLNRXWPKAD-SANMLTNESA-N 0 0 426.520 4.382 50 0 IIAARN C[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccc(F)cc1F ZINC000014167585 556380052 /nfs/dbraw/zinc/38/00/52/556380052.db2.gz KOWPRBXYEKJHIO-NSHDSACASA-N 0 0 431.489 4.342 50 0 IIAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 ZINC000014170536 556381335 /nfs/dbraw/zinc/38/13/35/556381335.db2.gz XOHKBEJFNSPRHN-OAQYLSRUSA-N 0 0 446.613 4.498 50 0 IIAARN O=C(/C=C/c1cc(F)ccc1F)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000011964627 556381405 /nfs/dbraw/zinc/38/14/05/556381405.db2.gz BLUMTQBORFAOFY-YDZHWAMISA-N 0 0 427.838 4.208 50 0 IIAARN COc1ccc(-c2ccc(C(=O)NC[C@@H]3Cc4c(c(-c5ncccn5)ccc4F)O3)o2)cc1 ZINC000011975740 556383081 /nfs/dbraw/zinc/38/30/81/556383081.db2.gz WOQTZMXNVURHIT-KRWDZBQOSA-N 0 0 445.450 4.285 50 0 IIAARN C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2S1 ZINC000014183795 556383725 /nfs/dbraw/zinc/38/37/25/556383725.db2.gz UYDRXVFQXYSGAC-QGZVFWFLSA-N 0 0 430.595 4.392 50 0 IIAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000014199855 556390588 /nfs/dbraw/zinc/39/05/88/556390588.db2.gz RMUZHXJXBHGAKR-SFHVURJKSA-N 0 0 436.574 4.211 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCCCCC2)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000012041065 556391169 /nfs/dbraw/zinc/39/11/69/556391169.db2.gz RAGCDEFXECEXPX-UHFFFAOYSA-N 0 0 429.564 4.401 50 0 IIAARN O=C(NC[C@@H]1CCC2(CCN(C(=O)/C(F)=C/c3ccccc3)CC2)O1)C1CCCCC1 ZINC000012050934 556392549 /nfs/dbraw/zinc/39/25/49/556392549.db2.gz VAXOWCSMHQAPJO-LEHARJQJSA-N 0 0 428.548 4.234 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)N3CCN(Cc4ccc(-c5cccc(F)c5)s4)CC3)cc12 ZINC000032809516 556394435 /nfs/dbraw/zinc/39/44/35/556394435.db2.gz KSOGUALJAMPMSD-UHFFFAOYSA-N 0 0 449.555 4.102 50 0 IIAARN Cc1cc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)ccc1Cl ZINC000012062264 556395475 /nfs/dbraw/zinc/39/54/75/556395475.db2.gz IRGCIOOIGNOHFR-UHFFFAOYSA-N 0 0 445.972 4.028 50 0 IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CSc3ccccc3)C2)c1 ZINC000012074404 556397196 /nfs/dbraw/zinc/39/71/96/556397196.db2.gz PNXWBVRPCSEUOB-LJQANCHMSA-N 0 0 426.582 4.123 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN(C)Cc2ccc(OCC)cc2)C1=O ZINC000014231889 556398188 /nfs/dbraw/zinc/39/81/88/556398188.db2.gz HQRLCXJYEDQWND-XMMPIXPASA-N 0 0 427.520 4.251 50 0 IIAARN Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)OCCCO4)c2C)n1 ZINC000032576547 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437.546 4.401 50 0 IIAARN Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000015851542 556557318 /nfs/dbraw/zinc/55/73/18/556557318.db2.gz SMWVKOHHKXGWMF-QGZVFWFLSA-N 0 0 442.471 4.288 50 0 IIAARN CC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274503 556558491 /nfs/dbraw/zinc/55/84/91/556558491.db2.gz WRESVBQBBIIZDT-UHFFFAOYSA-N 0 0 438.952 4.474 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCCO2)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306892 556560488 /nfs/dbraw/zinc/56/04/88/556560488.db2.gz VEDGLBZRWURSAX-HXUWFJFHSA-N 0 0 431.330 4.386 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325448 556561716 /nfs/dbraw/zinc/56/17/16/556561716.db2.gz PXSXLJIWFWJYNY-LBPRGKRZSA-N 0 0 439.921 4.016 50 0 IIAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@@H]4COc5ccccc5O4)cc3)o2)c1 ZINC000032908278 556564585 /nfs/dbraw/zinc/56/45/85/556564585.db2.gz XPKGGCRDAWYZIR-HXUWFJFHSA-N 0 0 427.460 4.282 50 0 IIAARN COc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000015934650 556565661 /nfs/dbraw/zinc/56/56/61/556565661.db2.gz QEYDAWWYYQCQKE-UHFFFAOYSA-N 0 0 433.961 4.259 50 0 IIAARN CCc1ccccc1NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2 ZINC000015946754 556567727 /nfs/dbraw/zinc/56/77/27/556567727.db2.gz ATWVJWIGTFXGHY-UHFFFAOYSA-N 0 0 441.597 4.102 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989989 556571460 /nfs/dbraw/zinc/57/14/60/556571460.db2.gz TYHWLDHUYDJYAF-YSFYHYPLSA-N 0 0 444.874 4.331 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000015745813 556572730 /nfs/dbraw/zinc/57/27/30/556572730.db2.gz RQFZLFHJMVVECP-DZKIICNBSA-N 0 0 428.842 4.106 50 0 IIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Cl)cc(Cl)c1OC ZINC000019731928 556576014 /nfs/dbraw/zinc/57/60/14/556576014.db2.gz JFRVBEOKQQRMNM-UHFFFAOYSA-N 0 0 428.312 4.363 50 0 IIAARN Cc1cccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000034755744 556581986 /nfs/dbraw/zinc/58/19/86/556581986.db2.gz BLGAFOIFMPCJJF-UHFFFAOYSA-N 0 0 434.515 4.111 50 0 IIAARN CN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000034863373 556584404 /nfs/dbraw/zinc/58/44/04/556584404.db2.gz SFZUDZSYTMGNGS-DQEYMECFSA-N 0 0 427.548 4.063 50 0 IIAARN COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c(C)c1 ZINC000016193567 556589353 /nfs/dbraw/zinc/58/93/53/556589353.db2.gz AOLMBJLXGBNDGO-UDWIEESQSA-N 0 0 434.423 4.274 50 0 IIAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)n1nnc2ccccc21 ZINC000016213603 556591098 /nfs/dbraw/zinc/59/10/98/556591098.db2.gz VIRYLBLTYBDACV-QBFSEMIESA-N 0 0 449.470 4.409 50 0 IIAARN CC[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC ZINC000016214105 556591392 /nfs/dbraw/zinc/59/13/92/556591392.db2.gz LBDNUGYUWMXUKV-WBAXXEDZSA-N 0 0 431.282 4.150 50 0 IIAARN COc1ccc(CC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c(OC)c1OC ZINC000032912900 556593473 /nfs/dbraw/zinc/59/34/73/556593473.db2.gz USCUTCYPMDHDIW-UHFFFAOYSA-N 0 0 444.528 4.261 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000100821758 556593850 /nfs/dbraw/zinc/59/38/50/556593850.db2.gz VNGPTGLOWCNXIH-GOSISDBHSA-N 0 0 437.496 4.206 50 0 IIAARN Cc1oc(-c2cccs2)nc1CN1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000036385642 556597906 /nfs/dbraw/zinc/59/79/06/556597906.db2.gz BBFDBYVGRFHDOY-QGZVFWFLSA-N 0 0 433.524 4.059 50 0 IIAARN COc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(OC)c1 ZINC000032975193 556598494 /nfs/dbraw/zinc/59/84/94/556598494.db2.gz CQPMZGBKSMCINB-UHFFFAOYSA-N 0 0 426.448 4.304 50 0 IIAARN CCc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975663 556600308 /nfs/dbraw/zinc/60/03/08/556600308.db2.gz KPPCPELEIPCDSW-NHCUHLMSSA-N 0 0 440.565 4.033 50 0 IIAARN CCOc1ccccc1NC(=O)CN1C(=O)C(c2ccc(OC)cc2)=NC12CCCCC2 ZINC000071768938 556600902 /nfs/dbraw/zinc/60/09/02/556600902.db2.gz JUTBNWGTULVDKD-UHFFFAOYSA-N 0 0 435.524 4.024 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339402 556601023 /nfs/dbraw/zinc/60/10/23/556601023.db2.gz KAIXMRUPEHZDHM-IBGZPJMESA-N 0 0 445.357 4.016 50 0 IIAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccc(F)cc1Br ZINC000032983413 556602033 /nfs/dbraw/zinc/60/20/33/556602033.db2.gz HQHXORNVDLUZAZ-UHFFFAOYSA-N 0 0 438.253 4.049 50 0 IIAARN O=C(COc1ccc2ccccc2c1Br)N1CCN(Cc2ccccc2)CC1 ZINC000016381490 556603573 /nfs/dbraw/zinc/60/35/73/556603573.db2.gz QHYWEXSSKXZKOG-UHFFFAOYSA-N 0 0 439.353 4.326 50 0 IIAARN COc1ccc(Nc2nc(C(=O)N(CCC(=O)NC(C)C)Cc3ccco3)cs2)cc1 ZINC000037425739 556603593 /nfs/dbraw/zinc/60/35/93/556603593.db2.gz BGZCPHIJSKKDIK-UHFFFAOYSA-N 0 0 442.541 4.045 50 0 IIAARN CCCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000037426464 556603651 /nfs/dbraw/zinc/60/36/51/556603651.db2.gz UGAQWACLNZAJBA-UHFFFAOYSA-N 0 0 442.541 4.047 50 0 IIAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2 ZINC000037604458 556605074 /nfs/dbraw/zinc/60/50/74/556605074.db2.gz UUXRMRNBRYXQEM-GAJHUEQPSA-N 0 0 426.532 4.248 50 0 IIAARN O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000016446476 556607791 /nfs/dbraw/zinc/60/77/91/556607791.db2.gz VIULQMBZPBNPFF-TXWPCCQESA-N 0 0 427.595 4.265 50 0 IIAARN CCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@]12c1ccccc1N(CC)C2=O ZINC000016448179 556608506 /nfs/dbraw/zinc/60/85/06/556608506.db2.gz JFEWEUIIXUKGGM-DEOSSOPVSA-N 0 0 436.895 4.312 50 0 IIAARN Brc1cccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)c1 ZINC000071889792 556608529 /nfs/dbraw/zinc/60/85/29/556608529.db2.gz KSBRNAYCTYPGMS-UHFFFAOYSA-N 0 0 443.297 4.367 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1Br ZINC000016448490 556608670 /nfs/dbraw/zinc/60/86/70/556608670.db2.gz FUIJJZACWBDEET-UHFFFAOYSA-N 0 0 438.753 4.115 50 0 IIAARN COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3Br)n2)cc1OC ZINC000013494969 556609198 /nfs/dbraw/zinc/60/91/98/556609198.db2.gz ZRVQQAFZSODMCE-NSHDSACASA-N 0 0 432.274 4.007 50 0 IIAARN COc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032995182 556610153 /nfs/dbraw/zinc/61/01/53/556610153.db2.gz QDQUMEMACHGDJO-UHFFFAOYSA-N 0 0 444.944 4.092 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)COc1ccccc1C ZINC000032995772 556610937 /nfs/dbraw/zinc/61/09/37/556610937.db2.gz RTTFAXNOTKCVMK-UHFFFAOYSA-N 0 0 433.537 4.472 50 0 IIAARN CCOc1ccccc1NC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O ZINC000038487113 556612830 /nfs/dbraw/zinc/61/28/30/556612830.db2.gz QKHSSIBOFVEQDF-UHFFFAOYSA-N 0 0 435.505 4.171 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccccc4c(=O)n3C3CC3)ccc21 ZINC000016545577 556614595 /nfs/dbraw/zinc/61/45/95/556614595.db2.gz YGPQNPQHZLRGBH-AWEZNQCLSA-N 0 0 433.533 4.004 50 0 IIAARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)C(C)C ZINC000033644927 556617434 /nfs/dbraw/zinc/61/74/34/556617434.db2.gz VFPNWGXPRKQMAW-UHFFFAOYSA-N 0 0 444.572 4.071 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)ccc3F)n2)ccc1C ZINC000016651510 556620635 /nfs/dbraw/zinc/62/06/35/556620635.db2.gz UFIVELLGZGHDIW-AWEZNQCLSA-N 0 0 440.450 4.045 50 0 IIAARN COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(I)c1O ZINC000016663055 556621177 /nfs/dbraw/zinc/62/11/77/556621177.db2.gz HZORGDMZKWVWFC-UHFFFAOYSA-N 0 0 437.321 4.460 50 0 IIAARN COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000016675791 556622334 /nfs/dbraw/zinc/62/23/34/556622334.db2.gz GYEJUCBBHXPTIB-CYVLTUHYSA-N 0 0 443.341 4.241 50 0 IIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000033693525 556622581 /nfs/dbraw/zinc/62/25/81/556622581.db2.gz FUMRPTMDLSDXHT-UHFFFAOYSA-N 0 0 441.534 4.271 50 0 IIAARN COc1ccc(CN(Cc2cccs2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC000016684963 556625174 /nfs/dbraw/zinc/62/51/74/556625174.db2.gz HTVNWWKJQWHUBS-UHFFFAOYSA-N 0 0 445.562 4.011 50 0 IIAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000033715902 556626511 /nfs/dbraw/zinc/62/65/11/556626511.db2.gz OBOGPUQQDFAERE-UHFFFAOYSA-N 0 0 438.934 4.439 50 0 IIAARN CCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000097937978 556627350 /nfs/dbraw/zinc/62/73/50/556627350.db2.gz AVDSJUFRHCDOCP-UHFFFAOYSA-N 0 0 445.445 4.065 50 0 IIAARN Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3sccc3C(N)=O)c3ccccc3n2)o1 ZINC000016722506 556630732 /nfs/dbraw/zinc/63/07/32/556630732.db2.gz IUQWQOMWVVOKKR-CYBMUJFWSA-N 0 0 449.488 4.148 50 0 IIAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000016724789 556631034 /nfs/dbraw/zinc/63/10/34/556631034.db2.gz NMIUFQMKDQFCMN-UHFFFAOYSA-N 0 0 425.384 4.404 50 0 IIAARN Cc1cccc(NCC[NH2+][C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)[O-])c1 ZINC000016740604 556634549 /nfs/dbraw/zinc/63/45/49/556634549.db2.gz RICIALPUYUTZTR-QHCPKHFHSA-N 0 0 433.508 4.271 50 0 IIAARN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040392178 556638180 /nfs/dbraw/zinc/63/81/80/556638180.db2.gz GUAXNPTVJIEBCT-SPYBWZPUSA-N 0 0 435.503 4.389 50 0 IIAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccccc4C)c3n2)c1 ZINC000040484398 556643645 /nfs/dbraw/zinc/64/36/45/556643645.db2.gz RYDJWYRVSLGISO-UHFFFAOYSA-N 0 0 438.487 4.272 50 0 IIAARN COP(=O)(OC)c1nc(-c2ccc(Br)cc2)oc1NCc1ccco1 ZINC000016806282 556643994 /nfs/dbraw/zinc/64/39/94/556643994.db2.gz KFGZIUVXLHDMEK-UHFFFAOYSA-N 0 0 427.191 4.420 50 0 IIAARN CN(C(=O)Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O)c1ccccc1 ZINC000040485247 556644065 /nfs/dbraw/zinc/64/40/65/556644065.db2.gz JJKMLPQFOTUDOH-UHFFFAOYSA-N 0 0 426.451 4.118 50 0 IIAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NC[C@H]1CCCO1 ZINC000037557267 556645310 /nfs/dbraw/zinc/64/53/10/556645310.db2.gz VWQCFTZDPJUAPL-JOCHJYFZSA-N 0 0 436.483 4.103 50 0 IIAARN CC(C)CC(=O)N1CCc2ccc(OCC(=O)NCC3CC3)cc2[C@H]1c1ccc(F)cc1 ZINC000037603550 556645442 /nfs/dbraw/zinc/64/54/42/556645442.db2.gz RRLLNKBCNPPUNX-AREMUKBSSA-N 0 0 438.543 4.251 50 0 IIAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037602595 556646692 /nfs/dbraw/zinc/64/66/92/556646692.db2.gz GURODZFCDJOTGZ-BJKOFHAPSA-N 0 0 438.543 4.392 50 0 IIAARN CN(Cc1ccc(Br)s1)C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000032921973 556647116 /nfs/dbraw/zinc/64/71/16/556647116.db2.gz XWKIXHVQQMROGQ-UHFFFAOYSA-N 0 0 427.327 4.493 50 0 IIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3cccc(F)c3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726614 556647683 /nfs/dbraw/zinc/64/76/83/556647683.db2.gz XDVQFLFSAWBBIK-CQSZACIVSA-N 0 0 441.553 4.198 50 0 IIAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000016903662 556649013 /nfs/dbraw/zinc/64/90/13/556649013.db2.gz LEFXSKJYDIPPPY-PMACEKPBSA-N 0 0 435.568 4.207 50 0 IIAARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(Br)ccc1Cl ZINC000032924635 556651374 /nfs/dbraw/zinc/65/13/74/556651374.db2.gz GFARMQJRYCIHIK-UHFFFAOYSA-N 0 0 427.770 4.404 50 0 IIAARN Cc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1Cl ZINC000011758522 556652975 /nfs/dbraw/zinc/65/29/75/556652975.db2.gz MVBLZIMKXWIJMM-UHFFFAOYSA-N 0 0 442.907 4.101 50 0 IIAARN CCc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCc3ccccc3)c4=O)n2)cc1 ZINC000038652312 556653627 /nfs/dbraw/zinc/65/36/27/556653627.db2.gz CHAQQORETBJRSE-UHFFFAOYSA-N 0 0 438.487 4.212 50 0 IIAARN Cc1sc2nc(C)c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(=O)n2c1C ZINC000011769062 556654165 /nfs/dbraw/zinc/65/41/65/556654165.db2.gz ZBBVQEHZGUGNHE-JTQLQIEISA-N 0 0 426.325 4.394 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 ZINC000017051559 556654406 /nfs/dbraw/zinc/65/44/06/556654406.db2.gz YPVBECJKTVZWAK-UHFFFAOYSA-N 0 0 434.521 4.453 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)cc1 ZINC000100706906 556655555 /nfs/dbraw/zinc/65/55/55/556655555.db2.gz ZGEFYBKAJXAZLE-IBGZPJMESA-N 0 0 425.330 4.330 50 0 IIAARN Cc1ccc(C2=Nc3nc(CCCO)nn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000100706927 556655568 /nfs/dbraw/zinc/65/55/68/556655568.db2.gz LLDGURRMSAYLKM-LJQANCHMSA-N 0 0 425.330 4.330 50 0 IIAARN C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)C1 ZINC000032926856 556655708 /nfs/dbraw/zinc/65/57/08/556655708.db2.gz YHUGIEDTSNSUKI-OAHLLOKOSA-N 0 0 449.621 4.485 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 ZINC000011829461 556658932 /nfs/dbraw/zinc/65/89/32/556658932.db2.gz ILJDNUBYMIELGQ-UHFFFAOYSA-N 0 0 438.553 4.132 50 0 IIAARN Cc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000033011518 556659312 /nfs/dbraw/zinc/65/93/12/556659312.db2.gz XNOKKBYAQPMOAW-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN CCc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000033011828 556660122 /nfs/dbraw/zinc/66/01/22/556660122.db2.gz XGKYWXUDQPTDJK-UHFFFAOYSA-N 0 0 426.567 4.070 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@@]3(O)C(F)(F)F)c3ccccc3n2)c1 ZINC000017096389 556660282 /nfs/dbraw/zinc/66/02/82/556660282.db2.gz AJRYPFRMAPYNAT-OAQYLSRUSA-N 0 0 429.398 4.383 50 0 IIAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(OC(F)F)cc1 ZINC000022982163 556661085 /nfs/dbraw/zinc/66/10/85/556661085.db2.gz RYPHCTVUNYNISC-UHFFFAOYSA-N 0 0 427.432 4.365 50 0 IIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000033012236 556661150 /nfs/dbraw/zinc/66/11/50/556661150.db2.gz ISIQTHBJIXTDOA-UHFFFAOYSA-N 0 0 440.503 4.277 50 0 IIAARN CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000017100744 556665683 /nfs/dbraw/zinc/66/56/83/556665683.db2.gz YWPWIKWDRFDVEY-GFCCVEGCSA-N 0 0 436.603 4.090 50 0 IIAARN CCc1cc(-c2nnc(SCC(=O)Nc3sccc3C(=O)OC)n2CC)cs1 ZINC000017100696 556665737 /nfs/dbraw/zinc/66/57/37/556665737.db2.gz PHHJGUQJVXPXMR-UHFFFAOYSA-N 0 0 436.584 4.168 50 0 IIAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)NCc1ccccc1 ZINC000017179167 556671750 /nfs/dbraw/zinc/67/17/50/556671750.db2.gz YXGDDLMZTJOWAM-UHFFFAOYSA-N 0 0 430.533 4.135 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930135 556673341 /nfs/dbraw/zinc/67/33/41/556673341.db2.gz ZRJGTVLLRAVWBE-MRXNPFEDSA-N 0 0 428.485 4.341 50 0 IIAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4c(C)cc(C)cc4C)nnc32)cc1 ZINC000017307703 556674997 /nfs/dbraw/zinc/67/49/97/556674997.db2.gz QTAAZDPRCRAMIR-UHFFFAOYSA-N 0 0 437.569 4.485 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000100799156 556675276 /nfs/dbraw/zinc/67/52/76/556675276.db2.gz PUCZXUVHKHVZFL-SMIHKQSGSA-N 0 0 444.487 4.063 50 0 IIAARN COc1ccc(C2=Nc3nc(CCCO)nn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000100806494 556675747 /nfs/dbraw/zinc/67/57/47/556675747.db2.gz OUWMUGGWZJAQPQ-IBGZPJMESA-N 0 0 441.329 4.030 50 0 IIAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000032931779 556676625 /nfs/dbraw/zinc/67/66/25/556676625.db2.gz OYYCBUJQCBCKAM-UHFFFAOYSA-N 0 0 427.439 4.108 50 0 IIAARN CN1CC(=O)N(c2cccc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)c2)C1=O ZINC000032935205 556678036 /nfs/dbraw/zinc/67/80/36/556678036.db2.gz DLUPAQIGOPGTAT-UHFFFAOYSA-N 0 0 426.432 4.146 50 0 IIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]21 ZINC000017823343 556679638 /nfs/dbraw/zinc/67/96/38/556679638.db2.gz YGJHETJKGOEWDE-XWRIVVANSA-N 0 0 437.879 4.081 50 0 IIAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137437 556679906 /nfs/dbraw/zinc/67/99/06/556679906.db2.gz DYFBBQYLXYYKBM-UHFFFAOYSA-N 0 0 439.968 4.356 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)c2)cc1C ZINC000017986582 556680593 /nfs/dbraw/zinc/68/05/93/556680593.db2.gz PGINAICVSKRJIB-HNKPZJSLSA-N 0 0 431.488 4.045 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000017987456 556680995 /nfs/dbraw/zinc/68/09/95/556680995.db2.gz DUULKVGZNXDICI-HDICACEKSA-N 0 0 426.266 4.124 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000018148877 556684955 /nfs/dbraw/zinc/68/49/55/556684955.db2.gz RJIOZXWIVXOWGE-HDICACEKSA-N 0 0 426.266 4.124 50 0 IIAARN COc1cc(C(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc(OC)c1OC ZINC000033020302 556685106 /nfs/dbraw/zinc/68/51/06/556685106.db2.gz MRXRYYVAJXOVMD-UHFFFAOYSA-N 0 0 429.498 4.169 50 0 IIAARN Cc1ccc(C)n1C1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c32)CC1 ZINC000062582359 556685135 /nfs/dbraw/zinc/68/51/35/556685135.db2.gz TUZDWRWLDYXYGF-UHFFFAOYSA-N 0 0 439.629 4.400 50 0 IIAARN COc1cc(/C=C/c2nn3c(nnc3-c3c(C)nc4ccccn43)s2)cc(OC)c1OC ZINC000227143710 556685547 /nfs/dbraw/zinc/68/55/47/556685547.db2.gz DOLZRBDRENUQFD-CMDGGOBGSA-N 0 0 448.508 4.005 50 0 IIAARN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000072312864 556687878 /nfs/dbraw/zinc/68/78/78/556687878.db2.gz XVABSPVRUQHOIV-UHFFFAOYSA-N 0 0 436.477 4.048 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(c5ccccn5)CC4)cc3)sc2c1 ZINC000018254370 556688386 /nfs/dbraw/zinc/68/83/86/556688386.db2.gz MVGSIWYIJIHRIT-UHFFFAOYSA-N 0 0 443.576 4.427 50 0 IIAARN CCOC(=O)C1=C(O)CC(Nc2ccc(Br)cn2)=C[C@@H]1c1cccc(OC)c1 ZINC000001079960 556690162 /nfs/dbraw/zinc/69/01/62/556690162.db2.gz XIPYCTKLEHZMCO-YLJYHZDGSA-N 0 0 445.313 4.084 50 0 IIAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)cc1 ZINC000252483364 556690245 /nfs/dbraw/zinc/69/02/45/556690245.db2.gz DZQFAMVAMLDOKD-HSZRJFAPSA-N 0 0 431.540 4.336 50 0 IIAARN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccccc1 ZINC000253429232 556697415 /nfs/dbraw/zinc/69/74/15/556697415.db2.gz QWTCNFVYJBGBIS-OAQYLSRUSA-N 0 0 449.555 4.108 50 0 IIAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)c3ccccc3C)ccc2n1C ZINC000033025946 556701955 /nfs/dbraw/zinc/70/19/55/556701955.db2.gz FQHDNZJBYORCHE-UHFFFAOYSA-N 0 0 442.519 4.115 50 0 IIAARN Cc1ccn2c(=O)cc(CSc3ccccc3NS(=O)(=O)c3ccccc3)nc2c1 ZINC000033026265 556703309 /nfs/dbraw/zinc/70/33/09/556703309.db2.gz JWDIVRDBPKBFTO-UHFFFAOYSA-N 0 0 437.546 4.096 50 0 IIAARN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033032263 556712869 /nfs/dbraw/zinc/71/28/69/556712869.db2.gz PYWIHXAJMINNKV-UHFFFAOYSA-N 0 0 440.500 4.181 50 0 IIAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CCN(CC)CC4)c3)C2)cc1 ZINC000033034888 556716716 /nfs/dbraw/zinc/71/67/16/556716716.db2.gz NMFCTCQIRBOOAL-VWLOTQADSA-N 0 0 433.596 4.047 50 0 IIAARN O=C1[C@@H]2[C@H]3C[C@H]([C@@H]4ON=C(c5ccc(Cl)cc5Cl)[C@H]34)[C@@H]2C(=O)N1c1ccccc1 ZINC000013724377 556719381 /nfs/dbraw/zinc/71/93/81/556719381.db2.gz MQPYUIPCUCPDST-DJRCMAJPSA-N 0 0 427.287 4.168 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2cccnc2)CO4)cc1OC ZINC000013727827 556720519 /nfs/dbraw/zinc/72/05/19/556720519.db2.gz NUFFCIUTEIFCIN-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccsc3c2=O)c1 ZINC000072328267 556724961 /nfs/dbraw/zinc/72/49/61/556724961.db2.gz PFWSXBRJQDFEEP-UHFFFAOYSA-N 0 0 435.574 4.207 50 0 IIAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000072330061 556727435 /nfs/dbraw/zinc/72/74/35/556727435.db2.gz DEXRFFAFKBNYBT-UHFFFAOYSA-N 0 0 439.430 4.019 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000061720504 556728043 /nfs/dbraw/zinc/72/80/43/556728043.db2.gz LKIQFTDIFMWUSP-UHFFFAOYSA-N 0 0 428.536 4.043 50 0 IIAARN COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000054274609 556729720 /nfs/dbraw/zinc/72/97/20/556729720.db2.gz JMSDMVRSBNHQLZ-UHFFFAOYSA-N 0 0 431.515 4.175 50 0 IIAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1Cl)C3 ZINC000054278208 556729797 /nfs/dbraw/zinc/72/97/97/556729797.db2.gz AZIGTKJSVOJAPV-UHFFFAOYSA-N 0 0 427.884 4.131 50 0 IIAARN CC(C)c1csc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc43)C2)n1 ZINC000055042041 556732347 /nfs/dbraw/zinc/73/23/47/556732347.db2.gz NCWZROWUNGEFEH-QGZVFWFLSA-N 0 0 444.626 4.005 50 0 IIAARN CC(C)c1csc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)n1 ZINC000055042042 556732382 /nfs/dbraw/zinc/73/23/82/556732382.db2.gz NCWZROWUNGEFEH-KRWDZBQOSA-N 0 0 444.626 4.005 50 0 IIAARN COc1cc(Br)c(CC(=O)OCC(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000019298791 556734717 /nfs/dbraw/zinc/73/47/17/556734717.db2.gz FLROKHWNIUQMMV-UHFFFAOYSA-N 0 0 446.297 4.225 50 0 IIAARN NC(=O)CSc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000019298017 556734804 /nfs/dbraw/zinc/73/48/04/556734804.db2.gz IPFSGEUEMSCQHB-UHFFFAOYSA-N 0 0 439.591 4.261 50 0 IIAARN CSc1cccc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1 ZINC000072333629 556749882 /nfs/dbraw/zinc/74/98/82/556749882.db2.gz CUDLRAHVBFUCME-LJQANCHMSA-N 0 0 440.594 4.089 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2SC3=NCN(c4ccc(Cl)cc4)CN3C2=O)cc1C ZINC000072333613 556749890 /nfs/dbraw/zinc/74/98/90/556749890.db2.gz BBWHCFKQYUEKSW-GOSISDBHSA-N 0 0 428.945 4.021 50 0 IIAARN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000058051070 556755390 /nfs/dbraw/zinc/75/53/90/556755390.db2.gz URYNWVGBTCFXCQ-ZDUSSCGKSA-N 0 0 445.397 4.308 50 0 IIAARN Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000010656864 556755591 /nfs/dbraw/zinc/75/55/91/556755591.db2.gz KEWNJIVHYDCNJY-UHFFFAOYSA-N 0 0 431.926 4.389 50 0 IIAARN COc1ccc2nc(C)c(C(=O)NCc3ccc(OCCOc4ccccc4)nc3)cc2c1 ZINC000058079737 556756730 /nfs/dbraw/zinc/75/67/30/556756730.db2.gz YPRFFAOPTBBEDR-UHFFFAOYSA-N 0 0 443.503 4.335 50 0 IIAARN CSc1nc2ccc(NC(=O)N3CCN(C(=O)c4cc(C)oc4C)CC3)cc2s1 ZINC000058099449 556757976 /nfs/dbraw/zinc/75/79/76/556757976.db2.gz OBDKYSQAPGVBKL-UHFFFAOYSA-N 0 0 430.555 4.218 50 0 IIAARN Cc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001012536 556762205 /nfs/dbraw/zinc/76/22/05/556762205.db2.gz KDMNNXPSGOTFTI-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN COc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1NC(=O)c1cccc(F)c1 ZINC000058158835 556763570 /nfs/dbraw/zinc/76/35/70/556763570.db2.gz UPYGSIKKIKZZTG-CTNGQTDRSA-N 0 0 427.476 4.262 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(C(C)C)s1)C(=O)OC2 ZINC000062001599 556764411 /nfs/dbraw/zinc/76/44/11/556764411.db2.gz VKEPFSARHOSKSV-WUXMJOGZSA-N 0 0 445.541 4.262 50 0 biogenic IIAARN Cc1cccc(N2CCN(Cn3nc([C@@H]4COc5ccccc5O4)oc3=S)CC2)c1C ZINC000058160836 556764985 /nfs/dbraw/zinc/76/49/85/556764985.db2.gz XRNXZCBSXBFTPX-NRFANRHFSA-N 0 0 438.553 4.115 50 0 IIAARN CCN(CCC(F)(F)F)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000058161071 556764990 /nfs/dbraw/zinc/76/49/90/556764990.db2.gz CAMCHVHJEYWBCC-UHFFFAOYSA-N 0 0 434.524 4.139 50 0 IIAARN COc1cccc2sc(NC(=O)c3cnc(Sc4nccn4C)c(Cl)c3)nc21 ZINC000058245071 556774970 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IIAARN O=C(N[C@H](NCc1ccco1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019535209 556793936 /nfs/dbraw/zinc/79/39/36/556793936.db2.gz AEGWESKYHJLOEM-ZDUSSCGKSA-N 0 0 426.525 4.258 50 0 IIAARN CC(C)CN(CC(C)C)C(=O)CSc1nnc([C@H](C)N(C)C)n1Cc1ccccc1 ZINC000002653998 556802442 /nfs/dbraw/zinc/80/24/42/556802442.db2.gz VCUFGSXXMPSLSG-IBGZPJMESA-N 0 0 431.650 4.182 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 ZINC000003185316 556804003 /nfs/dbraw/zinc/80/40/03/556804003.db2.gz QWBSIWSQPNXCRL-JLHYYAGUSA-N 0 0 437.359 4.132 50 0 IIAARN O=C(COc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1)Nc1ccccc1F ZINC000003220871 556805372 /nfs/dbraw/zinc/80/53/72/556805372.db2.gz JVIPZESMVJDIGJ-UHFFFAOYSA-N 0 0 425.387 4.022 50 0 IIAARN Fc1ccccc1-c1nnc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn21 ZINC000060031227 556805998 /nfs/dbraw/zinc/80/59/98/556805998.db2.gz JTLCHOQCSUTROA-UHFFFAOYSA-N 0 0 442.420 4.276 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000005455330 556807892 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ZINC000019899402 556941690 /nfs/dbraw/zinc/94/16/90/556941690.db2.gz GKNXRGFDBJYJJM-VWLOTQADSA-N 0 0 436.621 4.401 50 0 IIAARN O=c1c2cnn(-c3ccc(Cl)cc3)c2nc(-c2ccco2)n1-c1ccc2c(c1)OCCO2 ZINC000019908716 556942727 /nfs/dbraw/zinc/94/27/27/556942727.db2.gz MPASIGMWVBKWGB-UHFFFAOYSA-N 0 0 446.850 4.256 50 0 IIAARN COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019909585 556943027 /nfs/dbraw/zinc/94/30/27/556943027.db2.gz UGGJMVFDTRSTKA-UHFFFAOYSA-N 0 0 448.894 4.187 50 0 IIAARN COc1ccc(-c2csc(-c3nnc4c(-c5ccc(F)cc5)cnn4c3N)n2)cc1OC ZINC000072461646 556973727 /nfs/dbraw/zinc/97/37/27/556973727.db2.gz SZQUPWSLGWKBGP-UHFFFAOYSA-N 0 0 448.483 4.320 50 0 IIAARN COc1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)c(OC)c1 ZINC000020095339 556979238 /nfs/dbraw/zinc/97/92/38/556979238.db2.gz FBEXXXMSEZZXQX-UHFFFAOYSA-N 0 0 447.535 4.062 50 0 IIAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 ZINC000020102258 556980409 /nfs/dbraw/zinc/98/04/09/556980409.db2.gz 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Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000020256866 557003707 /nfs/dbraw/zinc/00/37/07/557003707.db2.gz XACOAXWRIKAULA-OAHLLOKOSA-N 0 0 429.615 4.401 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000020295677 557006256 /nfs/dbraw/zinc/00/62/56/557006256.db2.gz LUVZRQVPIWGLHW-UHFFFAOYSA-N 0 0 437.927 4.228 50 0 IIAARN CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000020311050 557007450 /nfs/dbraw/zinc/00/74/50/557007450.db2.gz BZTMUSKLJNKDCV-UHFFFAOYSA-N 0 0 425.535 4.499 50 0 IIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1C ZINC000020323500 557007710 /nfs/dbraw/zinc/00/77/10/557007710.db2.gz WLZPZFVOBPPZFI-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN O=C([C@H]1CC(c2ccccc2F)=NO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020328150 557007867 /nfs/dbraw/zinc/00/78/67/557007867.db2.gz CIOLNALRFDAQJG-RUZDIDTESA-N 0 0 443.522 4.253 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@H]2CCCC[C@H]2C)c2ccccc23)cc1 ZINC000020355927 557010092 /nfs/dbraw/zinc/01/00/92/557010092.db2.gz UTNSJVOJPANANC-APWZRJJASA-N 0 0 435.553 4.409 50 0 IIAARN COc1cc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc(OC)c1 ZINC000045991684 557016967 /nfs/dbraw/zinc/01/69/67/557016967.db2.gz KRGVNZQQIAWZSV-KRWDZBQOSA-N 0 0 446.507 4.461 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc(C)c12 ZINC000045991820 557017288 /nfs/dbraw/zinc/01/72/88/557017288.db2.gz XOMGJJCGFVJBKJ-QGZVFWFLSA-N 0 0 444.491 4.215 50 0 IIAARN COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)c2c(C)nn(-c3ccccc3)c2n1 ZINC000045991802 557017309 /nfs/dbraw/zinc/01/73/09/557017309.db2.gz MYDXCDMABLTXFY-GOSISDBHSA-N 0 0 430.508 4.130 50 0 IIAARN COc1cc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc(OC)c1 ZINC000045991942 557017700 /nfs/dbraw/zinc/01/77/00/557017700.db2.gz INRHZCQWECPJSW-MRXNPFEDSA-N 0 0 446.507 4.367 50 0 IIAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)NCCc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045992549 557018214 /nfs/dbraw/zinc/01/82/14/557018214.db2.gz UHUVNMHGQUREHD-LBPRGKRZSA-N 0 0 440.853 4.075 50 0 IIAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)NCc3ccccc3Cl)cc(C(F)(F)F)c12 ZINC000045992616 557018228 /nfs/dbraw/zinc/01/82/28/557018228.db2.gz CMMNTSLQUFEBMP-LLVKDONJSA-N 0 0 426.826 4.033 50 0 IIAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1sc2ccccc2c1Cl ZINC000010707504 557019367 /nfs/dbraw/zinc/01/93/67/557019367.db2.gz GRVLXBYIBZGBTP-UHFFFAOYSA-N 0 0 436.986 4.313 50 0 IIAARN CCc1cc(OCC(=O)NCc2ccc(OC)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017105 557020074 /nfs/dbraw/zinc/02/00/74/557020074.db2.gz KOEGMKAMBUYWGB-UHFFFAOYSA-N 0 0 444.535 4.304 50 0 IIAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 ZINC000046017052 557020166 /nfs/dbraw/zinc/02/01/66/557020166.db2.gz FLELYLJLWXVOTK-LJQANCHMSA-N 0 0 435.549 4.254 50 0 IIAARN COc1ccc2cc(C(=O)OCC(=O)NCc3ccc(Cl)cc3Cl)c(C)nc2c1 ZINC000010725780 557021413 /nfs/dbraw/zinc/02/14/13/557021413.db2.gz KUKJQTDBOLHLPM-UHFFFAOYSA-N 0 0 433.291 4.332 50 0 IIAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000046027404 557023418 /nfs/dbraw/zinc/02/34/18/557023418.db2.gz HUNQLEDCCYCQPB-UHFFFAOYSA-N 0 0 437.565 4.052 50 0 IIAARN Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1 ZINC000046027454 557023647 /nfs/dbraw/zinc/02/36/47/557023647.db2.gz WUDXRCOWKSKRHU-UHFFFAOYSA-N 0 0 437.565 4.052 50 0 IIAARN CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1 ZINC000023139355 557023999 /nfs/dbraw/zinc/02/39/99/557023999.db2.gz WKUBCBOCXYBZPW-UHFFFAOYSA-N 0 0 438.553 4.089 50 0 IIAARN CCC[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1CC)c1cccs1 ZINC000046031297 557024039 /nfs/dbraw/zinc/02/40/39/557024039.db2.gz UDXHGGLGJXCZPC-KRWDZBQOSA-N 0 0 433.599 4.244 50 0 IIAARN COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C(C)=O)cc4)C3)nn2)cc1 ZINC000023142722 557025036 /nfs/dbraw/zinc/02/50/36/557025036.db2.gz PJDWIFQWJGYTPA-HXUWFJFHSA-N 0 0 430.508 4.210 50 0 IIAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045324 557025539 /nfs/dbraw/zinc/02/55/39/557025539.db2.gz GPBZRSBSEORYPS-QHCPKHFHSA-N 0 0 430.548 4.336 50 0 IIAARN O=C(COc1ccc(Br)cc1Cl)NCc1cccc(NC(=O)C2CC2)c1 ZINC000010767578 557025579 /nfs/dbraw/zinc/02/55/79/557025579.db2.gz OFUPIZIQFJTEIN-UHFFFAOYSA-N 0 0 437.721 4.146 50 0 IIAARN Cc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143870 557025612 /nfs/dbraw/zinc/02/56/12/557025612.db2.gz ICZPDZQMCZMAMD-UHFFFAOYSA-N 0 0 441.418 4.192 50 0 IIAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000010786030 557026727 /nfs/dbraw/zinc/02/67/27/557026727.db2.gz DBVMGIUSSPTFKD-UHFFFAOYSA-N 0 0 431.945 4.207 50 0 IIAARN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)cc1 ZINC000046054010 557027465 /nfs/dbraw/zinc/02/74/65/557027465.db2.gz CCAHEHMJMFSBNW-UHFFFAOYSA-N 0 0 426.538 4.232 50 0 IIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075617 557032444 /nfs/dbraw/zinc/03/24/44/557032444.db2.gz ZQKDTZYWHMFJJK-GOSISDBHSA-N 0 0 448.548 4.052 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)ccc1OCC(N)=O ZINC000046077113 557032664 /nfs/dbraw/zinc/03/26/64/557032664.db2.gz UUKQKKHPGHQYPW-INIZCTEOSA-N 0 0 440.496 4.291 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1ccccc1 ZINC000017243812 557043727 /nfs/dbraw/zinc/04/37/27/557043727.db2.gz NSNAUAKHXRWIFH-JOCHJYFZSA-N 0 0 438.491 4.276 50 0 IIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181747 557045793 /nfs/dbraw/zinc/04/57/93/557045793.db2.gz QANQVIWJUCBTRP-YADARESESA-N 0 0 435.593 4.439 50 0 IIAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)no1)Nc1ccccc1 ZINC000033270839 557047703 /nfs/dbraw/zinc/04/77/03/557047703.db2.gz UMQDRPKFYGULQM-UHFFFAOYSA-N 0 0 440.916 4.372 50 0 IIAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc4c(c3)OCO4)sc2c1 ZINC000033271740 557049848 /nfs/dbraw/zinc/04/98/48/557049848.db2.gz PACFLOCHBFJGHW-OAHLLOKOSA-N 0 0 448.504 4.392 50 0 IIAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000048253207 557052598 /nfs/dbraw/zinc/05/25/98/557052598.db2.gz SNYGDOZPRSQCJP-QGZVFWFLSA-N 0 0 441.553 4.450 50 0 IIAARN CCCc1cc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)n2ncnc2n1 ZINC000033276030 557055165 /nfs/dbraw/zinc/05/51/65/557055165.db2.gz VXMXCZGBBANWOX-UHFFFAOYSA-N 0 0 439.566 4.337 50 0 IIAARN Cc1c(Br)c2ccccc2n1CC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000048290598 557055141 /nfs/dbraw/zinc/05/51/41/557055141.db2.gz SAXCFORUMBNEJJ-UHFFFAOYSA-N 0 0 447.304 4.077 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)s1 ZINC000048290841 557055342 /nfs/dbraw/zinc/05/53/42/557055342.db2.gz KHIJPNAKANZHTB-HXUWFJFHSA-N 0 0 434.521 4.127 50 0 IIAARN Cc1ccc(-n2nnnc2SCc2cc3c(cc2Br)OCCO3)c(C)c1 ZINC000010879184 557056845 /nfs/dbraw/zinc/05/68/45/557056845.db2.gz IJZUKZMBQDZNNW-UHFFFAOYSA-N 0 0 433.331 4.105 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000017322102 557058266 /nfs/dbraw/zinc/05/82/66/557058266.db2.gz VSTWFFPJGRENJC-UHFFFAOYSA-N 0 0 436.533 4.085 50 0 IIAARN O=c1c2oc3ccccc3c2ncn1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000033277271 557058729 /nfs/dbraw/zinc/05/87/29/557058729.db2.gz ATYLBXWPVWGRNZ-UHFFFAOYSA-N 0 0 428.326 4.140 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3Cl)C2)s1 ZINC000023043076 557059527 /nfs/dbraw/zinc/05/95/27/557059527.db2.gz UQQLHCSMYBJTMK-OAHLLOKOSA-N 0 0 426.991 4.366 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)cc1OCC ZINC000048309580 557059937 /nfs/dbraw/zinc/05/99/37/557059937.db2.gz PCEUDQYZUXBACR-FQEVSTJZSA-N 0 0 425.447 4.463 50 0 IIAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000017334877 557060618 /nfs/dbraw/zinc/06/06/18/557060618.db2.gz DJIYREXLAKZMJH-UHFFFAOYSA-N 0 0 444.519 4.113 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c1 ZINC000033279079 557061124 /nfs/dbraw/zinc/06/11/24/557061124.db2.gz NDEILCIZRZZTNX-UHFFFAOYSA-N 0 0 433.439 4.490 50 0 IIAARN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048299516 557061735 /nfs/dbraw/zinc/06/17/35/557061735.db2.gz UAOPYQWXWVPNNW-UHFFFAOYSA-N 0 0 441.450 4.488 50 0 IIAARN Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000048300548 557062407 /nfs/dbraw/zinc/06/24/07/557062407.db2.gz QZQWZQZDDRSROX-HXUWFJFHSA-N 0 0 440.496 4.189 50 0 IIAARN CCCNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2cccc(OC)c2)CC1 ZINC000033280660 557062881 /nfs/dbraw/zinc/06/28/81/557062881.db2.gz ZYGVXTBAAKPTLS-UHFFFAOYSA-N 0 0 439.581 4.138 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(C)c4)cn32)c1 ZINC000033284325 557063493 /nfs/dbraw/zinc/06/34/93/557063493.db2.gz ZTRQNAQMRIHWKV-UHFFFAOYSA-N 0 0 447.520 4.029 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)cc1C ZINC000033284514 557063917 /nfs/dbraw/zinc/06/39/17/557063917.db2.gz BVBKXJSJSQNDSQ-UHFFFAOYSA-N 0 0 445.548 4.007 50 0 IIAARN CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1Cc1ccc3c(c1)OCO3)C(=O)N2 ZINC000048302757 557063960 /nfs/dbraw/zinc/06/39/60/557063960.db2.gz BYANUFDTCLQIDJ-SANMLTNESA-N 0 0 441.487 4.412 50 0 IIAARN COc1cc(CC(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC ZINC000017370026 557068396 /nfs/dbraw/zinc/06/83/96/557068396.db2.gz FDZMWBKHUPGSKN-UHFFFAOYSA-N 0 0 430.888 4.146 50 0 IIAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(CC)cc3)CC2)c1=O ZINC000033290625 557068827 /nfs/dbraw/zinc/06/88/27/557068827.db2.gz WNOGNKNQJQRSHB-UHFFFAOYSA-N 0 0 433.556 4.159 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)COc4cccc(C)c4)C3)n2)c1 ZINC000033289863 557071519 /nfs/dbraw/zinc/07/15/19/557071519.db2.gz BLXNLVVNFWNRDL-LJQANCHMSA-N 0 0 448.523 4.179 50 0 IIAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)Cc3cc(C)on3)c2c1C ZINC000023185379 557071541 /nfs/dbraw/zinc/07/15/41/557071541.db2.gz PEEBEFYPFDEBBV-UHFFFAOYSA-N 0 0 443.573 4.095 50 0 IIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)s2)sc1C ZINC000033290047 557071805 /nfs/dbraw/zinc/07/18/05/557071805.db2.gz JTTVLQCMJHBMRL-UHFFFAOYSA-N 0 0 433.624 4.308 50 0 IIAARN COC(=O)CCN(Cc1ccccc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000048356281 557073201 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IIAARN CCCn1c(=O)c2snc(-c3ccccc3)c2nc1SCC(=O)NC1CCCC1 ZINC000033300229 557078810 /nfs/dbraw/zinc/07/88/10/557078810.db2.gz YDZCVOVNQWVEBY-UHFFFAOYSA-N 0 0 428.583 4.081 50 0 IIAARN O=C(c1ccc2c(c1)CCC(=O)N2Cc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000033300493 557079396 /nfs/dbraw/zinc/07/93/96/557079396.db2.gz WYFOXXCOAVZKNR-UHFFFAOYSA-N 0 0 443.522 4.268 50 0 IIAARN Cc1ccc(NC(=O)c2cn(CC(=O)Nc3ccccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000049002035 557081379 /nfs/dbraw/zinc/08/13/79/557081379.db2.gz QJMMPNYCCACLHC-UHFFFAOYSA-N 0 0 440.503 4.213 50 0 IIAARN CCc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccc(C)cc4)c3=O)n2)cc1 ZINC000048986452 557082319 /nfs/dbraw/zinc/08/23/19/557082319.db2.gz RDYPKNUOZQXOAO-UHFFFAOYSA-N 0 0 444.516 4.183 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)ccc2[nH]1 ZINC000010896720 557082377 /nfs/dbraw/zinc/08/23/77/557082377.db2.gz JYECEOWMTFJAMM-UHFFFAOYSA-N 0 0 442.447 4.203 50 0 IIAARN CSc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4)c3=O)n2)cc1 ZINC000048987537 557082775 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O=S(=O)(c1cccn2cnnc12)N(Cc1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000049405021 557100119 /nfs/dbraw/zinc/10/01/19/557100119.db2.gz JBTLVHSQXBCJMX-UHFFFAOYSA-N 0 0 434.855 4.056 50 0 IIAARN CCc1ccc(N(Cc2cccc(OC)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405125 557100411 /nfs/dbraw/zinc/10/04/11/557100411.db2.gz IEHPCKBROQCCGL-UHFFFAOYSA-N 0 0 436.537 4.004 50 0 IIAARN CCCN1c2ccc(NC(=O)c3ccc(OC)cc3)cc2S(=O)(=O)N=C1CC(C)C ZINC000085407068 557101217 /nfs/dbraw/zinc/10/12/17/557101217.db2.gz UQEVOJQDAUWBIR-UHFFFAOYSA-N 0 0 429.542 4.311 50 0 IIAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000033324505 557106296 /nfs/dbraw/zinc/10/62/96/557106296.db2.gz UAKNTXVJSXJTEG-UHFFFAOYSA-N 0 0 429.521 4.315 50 0 IIAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3cccc4cccnc43)cn2)cc1 ZINC000049428234 557107229 /nfs/dbraw/zinc/10/72/29/557107229.db2.gz RWDDLBPXVMWVJP-UHFFFAOYSA-N 0 0 428.492 4.276 50 0 IIAARN COc1cccc(CN2C(=O)N(c3cccc(SC)c3)c3ncccc3S2(=O)=O)c1 ZINC000049420946 557107443 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439.516 4.116 50 0 IIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(F)cc3)C(=O)c3ccccc3C)nn2c1=O ZINC000101861401 557304065 /nfs/dbraw/zinc/30/40/65/557304065.db2.gz SASCVNYOAVQGHO-UHFFFAOYSA-N 0 0 447.514 4.363 50 0 IIAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(OC)cc3)C(=O)C2)cc1 ZINC000101880783 557304970 /nfs/dbraw/zinc/30/49/70/557304970.db2.gz LZPYXQZJHFSJLO-UHFFFAOYSA-N 0 0 428.492 4.149 50 0 IIAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000014129280 557308166 /nfs/dbraw/zinc/30/81/66/557308166.db2.gz PDKJHOHKXHMIAQ-GOSISDBHSA-N 0 0 443.219 4.157 50 0 IIAARN CC(C)(CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2)N1CCOCC1 ZINC000102818832 557308808 /nfs/dbraw/zinc/30/88/08/557308808.db2.gz GZWOAUOJSFRANV-FBMGVBCBSA-N 0 0 431.536 4.155 50 0 IIAARN CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000014185427 557314710 /nfs/dbraw/zinc/31/47/10/557314710.db2.gz XFVXWJJVYHPYQC-UHFFFAOYSA-N 0 0 446.588 4.200 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1=O ZINC000032764633 557315251 /nfs/dbraw/zinc/31/52/51/557315251.db2.gz LFYFEWHLQUUODF-JSGCOSHPSA-N 0 0 438.858 4.180 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)N3CCC(C)CC3)=CSC2=N1 ZINC000102247131 557315400 /nfs/dbraw/zinc/31/54/00/557315400.db2.gz FTQZUIKVVPNYDS-QFIPXVFZSA-N 0 0 439.581 4.473 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(C)cc1C ZINC000102256123 557316680 /nfs/dbraw/zinc/31/66/80/557316680.db2.gz JXFIRYKLPCFLDD-QFIPXVFZSA-N 0 0 439.581 4.454 50 0 IIAARN COc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc4c(c3)OCO4)C2)cc1OC ZINC000102286262 557317419 /nfs/dbraw/zinc/31/74/19/557317419.db2.gz DAHMQQWXXYKOAD-AWEZNQCLSA-N 0 0 446.385 4.099 50 0 IIAARN CCOc1cc(C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)ccc1OCC(C)C ZINC000032930576 557318479 /nfs/dbraw/zinc/31/84/79/557318479.db2.gz DOQYUYRLBJQBSW-CSKARUKUSA-N 0 0 442.581 4.179 50 0 IIAARN O=C(N[C@H]1CCCc2ccccc21)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088541 557322523 /nfs/dbraw/zinc/32/25/23/557322523.db2.gz NGADAEZDAPYFGY-AWEZNQCLSA-N 0 0 427.386 4.211 50 0 IIAARN COc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)c(OC)c1 ZINC000033128423 557325014 /nfs/dbraw/zinc/32/50/14/557325014.db2.gz VZTXVTLWUMGIPK-UHFFFAOYSA-N 0 0 439.537 4.104 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1sccc1N(C)S(=O)(=O)c1ccccc1 ZINC000033141722 557325685 /nfs/dbraw/zinc/32/56/85/557325685.db2.gz GEBZVYKJJUMVKX-QGZVFWFLSA-N 0 0 428.579 4.324 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1 ZINC000014255058 557330657 /nfs/dbraw/zinc/33/06/57/557330657.db2.gz VDJKVVJOOOUNSM-NRFANRHFSA-N 0 0 442.625 4.150 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000033297860 557330787 /nfs/dbraw/zinc/33/07/87/557330787.db2.gz UJTPWJAMSRUHAS-AUWJEWJLSA-N 0 0 441.509 4.311 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1ncnc2nc(-c3ccc(OC)cc3)ncc21 ZINC000033300923 557331100 /nfs/dbraw/zinc/33/11/00/557331100.db2.gz GHLJUTJGASLPNP-UHFFFAOYSA-N 0 0 447.520 4.225 50 0 IIAARN Cc1nc([C@H]2CN([C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CCO2)no1 ZINC000222187531 557334490 /nfs/dbraw/zinc/33/44/90/557334490.db2.gz GFKZSJRLFVFAOW-RTBURBONSA-N 0 0 447.322 4.438 50 0 IIAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl ZINC000000836698 557336274 /nfs/dbraw/zinc/33/62/74/557336274.db2.gz VALTZKDDWDMKEH-MRXNPFEDSA-N 0 0 446.787 4.416 50 0 IIAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1OC ZINC000102529198 557340225 /nfs/dbraw/zinc/34/02/25/557340225.db2.gz AFTSXWQOVKYEJS-UHFFFAOYSA-N 0 0 429.476 4.200 50 0 IIAARN Cn1nc(C(C)(C)C)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023331090 557343567 /nfs/dbraw/zinc/34/35/67/557343567.db2.gz XELJKNNLOQIEFK-DEOSSOPVSA-N 0 0 434.559 4.404 50 0 IIAARN CC(=O)O[C@H](C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1)c1ccccc1 ZINC000023332426 557344477 /nfs/dbraw/zinc/34/44/77/557344477.db2.gz AXNAAZGAEIAKFR-FQEVSTJZSA-N 0 0 441.434 4.025 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2cccc(Cl)c2)cc1 ZINC000014611219 557345437 /nfs/dbraw/zinc/34/54/37/557345437.db2.gz UIGNJBCZAVZJCZ-UHFFFAOYSA-N 0 0 428.901 4.349 50 0 IIAARN COc1ccc(CCCN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC ZINC000011671995 557345644 /nfs/dbraw/zinc/34/56/44/557345644.db2.gz GXKKKAJBTAXLIG-UHFFFAOYSA-N 0 0 437.515 4.222 50 0 IIAARN O=C(N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000023334982 557349768 /nfs/dbraw/zinc/34/97/68/557349768.db2.gz QYMVSGMZNGYVNG-UHFFFAOYSA-N 0 0 435.742 4.316 50 0 IIAARN C[C@@H](NC(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000102511359 557350036 /nfs/dbraw/zinc/35/00/36/557350036.db2.gz WJFODFSQJVOHRF-CMJOXMDJSA-N 0 0 440.590 4.406 50 0 IIAARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ncnn32)cc1 ZINC000102594264 557357159 /nfs/dbraw/zinc/35/71/59/557357159.db2.gz OCLKUOMLXYLSML-HTAPYJJXSA-N 0 0 430.464 4.139 50 0 IIAARN Cc1c(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cnn1-c1ccccc1 ZINC000220677621 557363517 /nfs/dbraw/zinc/36/35/17/557363517.db2.gz CMPQPIKVCNCJBK-GOSISDBHSA-N 0 0 445.498 4.465 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675172 557364166 /nfs/dbraw/zinc/36/41/66/557364166.db2.gz AEWOZTRULVAQMS-HNNXBMFYSA-N 0 0 449.461 4.500 50 0 IIAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014680839 557367088 /nfs/dbraw/zinc/36/70/88/557367088.db2.gz KTHSVGHDMUNCEJ-UHFFFAOYSA-N 0 0 426.563 4.355 50 0 IIAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220897118 557370187 /nfs/dbraw/zinc/37/01/87/557370187.db2.gz FRVPXQDWGBODIL-MRXNPFEDSA-N 0 0 433.537 4.294 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102728746 557370663 /nfs/dbraw/zinc/37/06/63/557370663.db2.gz NCHDXFHHGQEGQN-WXFUMESZSA-N 0 0 444.487 4.063 50 0 IIAARN O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000023862915 557376421 /nfs/dbraw/zinc/37/64/21/557376421.db2.gz JVBLRXPVLWYDGN-UHFFFAOYSA-N 0 0 435.423 4.403 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3nnnn32)c1 ZINC000102763543 557380882 /nfs/dbraw/zinc/38/08/82/557380882.db2.gz OHLGZZXYTFVXAV-OAHLLOKOSA-N 0 0 435.818 4.001 50 0 IIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102754696 557383982 /nfs/dbraw/zinc/38/39/82/557383982.db2.gz OCUDQRFWECVJDI-MYGLTJDJSA-N 0 0 439.519 4.188 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000102830640 557394059 /nfs/dbraw/zinc/39/40/59/557394059.db2.gz MEOIKNGJLMNWNM-ZUOKHONESA-N 0 0 443.887 4.401 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)NC(C)(C)C)o1 ZINC000004873360 557399933 /nfs/dbraw/zinc/39/99/33/557399933.db2.gz DQNNVMXKCSWSRC-UHFFFAOYSA-N 0 0 425.573 4.379 50 0 IIAARN C[C@@H]1CCCCN1C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F ZINC000033462759 557400202 /nfs/dbraw/zinc/40/02/02/557400202.db2.gz BRMMUQPTOQKMQO-MRXNPFEDSA-N 0 0 438.952 4.071 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)NCc2ccoc2)ccc1Cl ZINC000060978202 557400827 /nfs/dbraw/zinc/40/08/27/557400827.db2.gz HFVGUCIYTSPBQB-UHFFFAOYSA-N 0 0 433.917 4.470 50 0 IIAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000004926071 557408687 /nfs/dbraw/zinc/40/86/87/557408687.db2.gz SAKAEFZTNABWJK-MRXNPFEDSA-N 0 0 429.513 4.340 50 0 IIAARN O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000024502971 557437238 /nfs/dbraw/zinc/43/72/38/557437238.db2.gz HFUJMVUOPXRCMI-UHFFFAOYSA-N 0 0 438.578 4.279 50 0 IIAARN O=C(c1cccs1)C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000103526735 557438807 /nfs/dbraw/zinc/43/88/07/557438807.db2.gz WICMUBYSAULUTD-YSFYHYPLSA-N 0 0 426.497 4.146 50 0 IIAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000103839074 557441736 /nfs/dbraw/zinc/44/17/36/557441736.db2.gz DJXNUXGMNYVXPC-PMUMKWKESA-N 0 0 440.594 4.191 50 0 IIAARN CSCC[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000104265512 557453708 /nfs/dbraw/zinc/45/37/08/557453708.db2.gz XXOUFOSNBPATMJ-YBEHMPOZSA-N 0 0 446.657 4.004 50 0 IIAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920711 557465780 /nfs/dbraw/zinc/46/57/80/557465780.db2.gz FNNVUONEJXKGGR-XMSQKQJNSA-N 0 0 447.476 4.238 50 0 IIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000106555512 557530202 /nfs/dbraw/zinc/53/02/02/557530202.db2.gz VKBKUVLBIQIYOT-GOZXTGFESA-N 0 0 426.513 4.204 50 0 IIAARN COc1ccccc1C1=C2C(=N)N(CC[NH+](C)C)C=N[C@@H]2Oc2c3ccccc3ccc21 ZINC000044928674 557541024 /nfs/dbraw/zinc/54/10/24/557541024.db2.gz IWIYELOFINTKPO-AREMUKBSSA-N 0 0 426.520 4.252 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(CC)cc2)nn(CC(=O)Nc2ccccc2Cl)c1=O ZINC000045896405 557545906 /nfs/dbraw/zinc/54/59/06/557545906.db2.gz MVWVUAIPWOCPCZ-UHFFFAOYSA-N 0 0 438.915 4.113 50 0 IIAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ccn3n2)cc1 ZINC000045921754 557547549 /nfs/dbraw/zinc/54/75/49/557547549.db2.gz CFLAPSDAGDUWBO-UHFFFAOYSA-N 0 0 434.471 4.120 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000045961930 557557060 /nfs/dbraw/zinc/55/70/60/557557060.db2.gz DDIFXMKDGGIFIF-UHFFFAOYSA-N 0 0 436.489 4.215 50 0 IIAARN CC(C)CCOc1ccc(S(=O)(=O)Nc2cc(C[S@](C)=O)ccc2Cl)cc1 ZINC000225395758 557718304 /nfs/dbraw/zinc/71/83/04/557718304.db2.gz FICBSQYUKIKLII-SANMLTNESA-N 0 0 429.991 4.444 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000225486135 557728525 /nfs/dbraw/zinc/72/85/25/557728525.db2.gz UISYKYPETJATAD-UHFFFAOYSA-N 0 0 432.542 4.424 50 0 IIAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000225501457 557731161 /nfs/dbraw/zinc/73/11/61/557731161.db2.gz WNNHEOCHPJTICV-XMMPIXPASA-N 0 0 447.966 4.156 50 0 IIAARN O=C(NCc1noc(-c2cccc(Br)c2)n1)Nc1cnn(-c2ccccc2)c1 ZINC000225524365 557735848 /nfs/dbraw/zinc/73/58/48/557735848.db2.gz FJHSETIBARNEMN-UHFFFAOYSA-N 0 0 439.273 4.007 50 0 IIAARN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)c12 ZINC000225679404 557761892 /nfs/dbraw/zinc/76/18/92/557761892.db2.gz NNTHKRCDSYYBQU-LEWJYISDSA-N 0 0 433.556 4.324 50 0 IIAARN CN1CCN(C(=O)c2cc(Br)c(Br)s2)[C@@H](c2ccccc2)C1 ZINC000030029365 557768925 /nfs/dbraw/zinc/76/89/25/557768925.db2.gz JOINBAZADOPQBW-CYBMUJFWSA-N 0 0 444.192 4.402 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4cnn5ccncc45)cc3)sc2c1 ZINC000225840669 557784001 /nfs/dbraw/zinc/78/40/01/557784001.db2.gz DTKWLLAZRHVLQL-UHFFFAOYSA-N 0 0 443.488 4.110 50 0 IIAARN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226983507 557811525 /nfs/dbraw/zinc/81/15/25/557811525.db2.gz HKVSAYZUUFBPRN-BHDDXSALSA-N 0 0 434.879 4.400 50 0 IIAARN COC(=O)c1cccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2OC)c1 ZINC000024989366 557830047 /nfs/dbraw/zinc/83/00/47/557830047.db2.gz BIEYEYNRGWBLLF-UHFFFAOYSA-N 0 0 438.553 4.345 50 0 IIAARN O=C(c1cnn2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)(F)F)N1CCCCCC1 ZINC000000862901 557836340 /nfs/dbraw/zinc/83/63/40/557836340.db2.gz FBPKITYGTZFHKY-UHFFFAOYSA-N 0 0 432.402 4.160 50 0 IIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC4CCCC4)c3N2)cc1OC ZINC000000866098 557839491 /nfs/dbraw/zinc/83/94/91/557839491.db2.gz LBWOOPQEVHQFFQ-CRAIPNDOSA-N 0 0 438.450 4.233 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000869098 557840401 /nfs/dbraw/zinc/84/04/01/557840401.db2.gz JHJPCWNGMOMJQU-UHFFFAOYSA-N 0 0 449.985 4.267 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000000884690 557854721 /nfs/dbraw/zinc/85/47/21/557854721.db2.gz WNQKLADTAQMWPJ-IEBWSBKVSA-N 0 0 446.477 4.132 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000018699654 557854803 /nfs/dbraw/zinc/85/48/03/557854803.db2.gz BHPDEUZMWYNPBD-UHFFFAOYSA-N 0 0 426.513 4.218 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)NCc1ccccc1 ZINC000000886570 557855568 /nfs/dbraw/zinc/85/55/68/557855568.db2.gz WUTRZYJWBWAQKK-UHFFFAOYSA-N 0 0 444.516 4.397 50 0 IIAARN COc1ccc2[nH]c(C)c(CCNC(=O)[C@@H]3CCCC[C@H]3C(=O)OCC(F)(F)F)c2c1 ZINC000001423643 560180550 /nfs/dbraw/zinc/18/05/50/560180550.db2.gz ZUXLEFNPFXHKRL-IAGOWNOFSA-N 0 0 440.462 4.056 50 0 biogenic,in-vitro IIAARN Cc1ccc(C(=O)[C@H](OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1C ZINC000001120686 562920572 /nfs/dbraw/zinc/92/05/72/562920572.db2.gz IGEMPSKFBRPKKI-XMMPIXPASA-N 0 0 427.456 4.067 50 0 aggregator IIAARN CCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001320930 562921177 /nfs/dbraw/zinc/92/11/77/562921177.db2.gz NYMCYMSJDSLVER-UHFFFAOYSA-N 0 0 432.505 4.131 50 0 IIAARN COC(=O)[C@@H](Cc1ccc(OC(=O)c2ccccc2Cl)cc1)N1Cc2ccccc2C1=O ZINC000001383751 562921533 /nfs/dbraw/zinc/92/15/33/562921533.db2.gz MOOQXTGFPMWZON-JOCHJYFZSA-N 0 0 449.890 4.299 50 0 IIAARN CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1ccccc1C ZINC000001404105 562921802 /nfs/dbraw/zinc/92/18/02/562921802.db2.gz LKMQLOLRJKOIFD-UHFFFAOYSA-N 0 0 433.537 4.024 50 0 IIAARN O=C1C[C@H](N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000002287561 562926771 /nfs/dbraw/zinc/92/67/71/562926771.db2.gz BZWRSDZIIFRPQV-QFIPXVFZSA-N 0 0 429.545 4.260 50 0 IIAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000002639623 562929006 /nfs/dbraw/zinc/92/90/06/562929006.db2.gz GNFIAIRMDZONJN-UHFFFAOYSA-N 0 0 444.509 4.034 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)nc2-c2ccc(C)cc2)cc1 ZINC000002664004 562929695 /nfs/dbraw/zinc/92/96/95/562929695.db2.gz QHYLSSDLDUESDZ-HXUWFJFHSA-N 0 0 434.565 4.210 50 0 IIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000002690186 562929785 /nfs/dbraw/zinc/92/97/85/562929785.db2.gz UAWQYOGISAPKFS-UHFFFAOYSA-N 0 0 444.462 4.327 50 0 IIAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000002724281 562929994 /nfs/dbraw/zinc/92/99/94/562929994.db2.gz DMYZCMSFTMACGD-XMMPIXPASA-N 0 0 434.467 4.335 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000003055525 562932326 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0 IIAARN Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc3c2=O)c1 ZINC000003410831 562935319 /nfs/dbraw/zinc/93/53/19/562935319.db2.gz OONYNWYUVMAGPC-UHFFFAOYSA-N 0 0 432.530 4.056 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657733 562937535 /nfs/dbraw/zinc/93/75/35/562937535.db2.gz SMHZNGWQWIMYKF-DNQXCXABSA-N 0 0 444.487 4.016 50 0 IIAARN CCOc1cccc(-c2cc(C(=O)N3N=C(C)C[C@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000004199782 562942614 /nfs/dbraw/zinc/94/26/14/562942614.db2.gz WDFYURJKPREQQR-QHCPKHFHSA-N 0 0 425.435 4.476 50 0 IIAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(=O)N3CCCC3)n2)CCCC4)n1 ZINC000004295239 562943013 /nfs/dbraw/zinc/94/30/13/562943013.db2.gz CYOPLQABVCARIV-UHFFFAOYSA-N 0 0 427.599 4.087 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC ZINC000006530779 562947197 /nfs/dbraw/zinc/94/71/97/562947197.db2.gz WCWDNUBYUCFOAT-QFIPXVFZSA-N 0 0 428.444 4.263 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 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COc1ccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000008602007 562955825 /nfs/dbraw/zinc/95/58/25/562955825.db2.gz VALNTIIDBCDRCW-UHFFFAOYSA-N 0 0 434.923 4.410 50 0 IIAARN Cc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000008604349 562956376 /nfs/dbraw/zinc/95/63/76/562956376.db2.gz JMJHSHKBZYHNKU-UHFFFAOYSA-N 0 0 432.911 4.007 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCC(C)C)c1 ZINC000008609037 562957557 /nfs/dbraw/zinc/95/75/57/562957557.db2.gz IRQABHVLTQBHFB-UHFFFAOYSA-N 0 0 438.572 4.393 50 0 IIAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccc(F)cc3)c2=O)CCC4)cc1 ZINC000008609485 562957866 /nfs/dbraw/zinc/95/78/66/562957866.db2.gz NNAUZNBIKUABDA-UHFFFAOYSA-N 0 0 448.519 4.287 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)nc1n2CCCCC1 ZINC000008611762 562958704 /nfs/dbraw/zinc/95/87/04/562958704.db2.gz XFPCHAYCSSSLOD-UHFFFAOYSA-N 0 0 428.330 4.464 50 0 IIAARN Cc1ccc2occ(CC(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611969 562958822 /nfs/dbraw/zinc/95/88/22/562958822.db2.gz PNECTQUOEFGXDY-GOSISDBHSA-N 0 0 431.941 4.153 50 0 IIAARN Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2c1 ZINC000008611960 562958843 /nfs/dbraw/zinc/95/88/43/562958843.db2.gz SCOWDQKAQUKTCD-KRWDZBQOSA-N 0 0 426.538 4.343 50 0 aggregator IIAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3C)n2)cc1OC ZINC000008612149 562958992 /nfs/dbraw/zinc/95/89/92/562958992.db2.gz CFRXRZICGAEAHR-UHFFFAOYSA-N 0 0 443.916 4.495 50 0 IIAARN COc1ccc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)cc1OC ZINC000008613931 562959499 /nfs/dbraw/zinc/95/94/99/562959499.db2.gz KUIWSNZKCNUMIP-UHFFFAOYSA-N 0 0 441.487 4.384 50 0 IIAARN Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008670411 562960666 /nfs/dbraw/zinc/96/06/66/562960666.db2.gz XVKPBTUXTFPXPM-UHFFFAOYSA-N 0 0 439.518 4.239 50 0 aggregator IIAARN CCOc1c(Cl)cc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1OC ZINC000008685894 562962658 /nfs/dbraw/zinc/96/26/58/562962658.db2.gz CKOZYGAWAXCCOX-VBKFSLOCSA-N 0 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Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1C ZINC000009206927 562968148 /nfs/dbraw/zinc/96/81/48/562968148.db2.gz IXFUGWXLNKEHKO-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000009382176 562969712 /nfs/dbraw/zinc/96/97/12/562969712.db2.gz APDSBBZLRFXCJY-HXUWFJFHSA-N 0 0 441.484 4.172 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2oc1C(=O)NC1CCCCC1 ZINC000009673181 562975278 /nfs/dbraw/zinc/97/52/78/562975278.db2.gz KNIISGNXGSTDEL-IYBDPMFKSA-N 0 0 432.586 4.470 50 0 IIAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000009703719 562975672 /nfs/dbraw/zinc/97/56/72/562975672.db2.gz BMVUSLKOVMDBLC-MRXNPFEDSA-N 0 0 430.460 4.365 50 0 IIAARN C[C@H](Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21)c1ccccc1 ZINC000009971106 562978148 /nfs/dbraw/zinc/97/81/48/562978148.db2.gz AALHLJWQEACLLK-AWEZNQCLSA-N 0 0 435.534 4.345 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCCC(C)C)nc23)cc1 ZINC000009970939 562978158 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429.398 4.048 50 0 IIAARN O=S1(=O)CCN(CCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 ZINC000020386362 563024713 /nfs/dbraw/zinc/02/47/13/563024713.db2.gz BPJVHYKTKRZBIP-UHFFFAOYSA-N 0 0 437.392 4.269 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1 ZINC000058012564 563143252 /nfs/dbraw/zinc/14/32/52/563143252.db2.gz MTEWSUYMFNHMOF-HSZRJFAPSA-N 0 0 438.524 4.057 50 0 IIAARN S=c1n(CN2CCOCC2)nc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000067321267 563161005 /nfs/dbraw/zinc/16/10/05/563161005.db2.gz ITRLCDVBCWNMRE-UHFFFAOYSA-N 0 0 431.359 4.122 50 0 IIAARN CCCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)[nH]c(C)c1C(C)=O ZINC000084758786 563179765 /nfs/dbraw/zinc/17/97/65/563179765.db2.gz XOMQXSYALMHLQP-UHFFFAOYSA-N 0 0 445.585 4.295 50 0 in-vitro IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccs4)n3)n2)o1 ZINC000012052828 568625248 /nfs/dbraw/zinc/62/52/48/568625248.db2.gz YXYNPHXFXJMDCR-UHFFFAOYSA-N 0 0 444.563 4.405 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000033297890 568626240 /nfs/dbraw/zinc/62/62/40/568626240.db2.gz XQFBJCXSDPAGME-KAMYIIQDSA-N 0 0 439.537 4.289 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 ZINC000000915271 568636999 /nfs/dbraw/zinc/63/69/99/568636999.db2.gz SZUSTNDLQUWMLS-UHFFFAOYSA-N 0 0 445.548 4.322 50 0 IIAARN CCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(C)c2-c2ccc(OC)cc2)cc1 ZINC000025144153 568640685 /nfs/dbraw/zinc/64/06/85/568640685.db2.gz PVPGWQDEBMXNPI-UHFFFAOYSA-N 0 0 431.496 4.355 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c1 ZINC000000976986 568648302 /nfs/dbraw/zinc/64/83/02/568648302.db2.gz MGBQEWUAWPCPDZ-UHFFFAOYSA-N 0 0 430.917 4.137 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000000999364 568649549 /nfs/dbraw/zinc/64/95/49/568649549.db2.gz WLGAUYBFISOIGT-IEBWSBKVSA-N 0 0 446.477 4.166 50 0 IIAARN Cc1ccccc1NC(=S)NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000001003228 568650937 /nfs/dbraw/zinc/65/09/37/568650937.db2.gz SWNJAUPIDAYKQB-UHFFFAOYSA-N 0 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CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(C)n2C2CCCCC2)cc1 ZINC000005866354 568738116 /nfs/dbraw/zinc/73/81/16/568738116.db2.gz CNVJIBDUZDPFGU-UHFFFAOYSA-N 0 0 429.590 4.305 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000025614041 568739751 /nfs/dbraw/zinc/73/97/51/568739751.db2.gz WNMTUANJDSWQEG-IBGZPJMESA-N 0 0 428.554 4.048 50 0 IIAARN O=C(Cn1cnc2sccc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000031641247 568741373 /nfs/dbraw/zinc/74/13/73/568741373.db2.gz CNKYFSRKFIXPLQ-UHFFFAOYSA-N 0 0 436.562 4.027 50 0 IIAARN O=S(=O)(Nc1cc(Br)ccc1Br)c1cc(F)ccc1F ZINC000031720211 568741930 /nfs/dbraw/zinc/74/19/30/568741930.db2.gz LBKXPPBMJSOOMN-UHFFFAOYSA-N 0 0 427.064 4.291 50 0 IIAARN Cc1ccccc1Cn1cc(NC(=O)[C@@]2(C)CC2(Br)Br)cn1 ZINC000002103498 568742797 /nfs/dbraw/zinc/74/27/97/568742797.db2.gz KISDSUVEWDOOHW-OAHLLOKOSA-N 0 0 427.140 4.074 50 0 IIAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003247020 568743459 /nfs/dbraw/zinc/74/34/59/568743459.db2.gz NIGPHYWQIFRWPO-UHFFFAOYSA-N 0 0 437.201 4.399 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043959258 568744390 /nfs/dbraw/zinc/74/43/90/568744390.db2.gz BBMHMJCHRNOYCD-UHFFFAOYSA-N 0 0 446.956 4.225 50 0 IIAARN O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000043959270 568744426 /nfs/dbraw/zinc/74/44/26/568744426.db2.gz HBJMFPHTSSZHCT-UHFFFAOYSA-N 0 0 446.956 4.058 50 0 IIAARN CCNc1sc(C(=O)c2cccc(Br)c2)c(N)c1C(=O)NCc1ccco1 ZINC000003268995 568744614 /nfs/dbraw/zinc/74/46/14/568744614.db2.gz BTQBKZJYZVHYPH-UHFFFAOYSA-N 0 0 448.342 4.279 50 0 IIAARN Cc1cc(Br)c(NC(=O)COC(=O)c2ccc(O)cc2)c(Br)c1 ZINC000003272428 568744843 /nfs/dbraw/zinc/74/48/43/568744843.db2.gz DIVGNJSBBFLMLR-UHFFFAOYSA-N 0 0 443.091 4.021 50 0 IIAARN O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000044005762 568745680 /nfs/dbraw/zinc/74/56/80/568745680.db2.gz OLZVCUKCWCSAAC-UHFFFAOYSA-N 0 0 434.309 4.262 50 0 IIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNc2ccccc2Cl)cc1 ZINC000003322123 568746004 /nfs/dbraw/zinc/74/60/04/568746004.db2.gz IEAPEIZVEVPXKK-UHFFFAOYSA-N 0 0 437.927 4.372 50 0 IIAARN O=C(CNS(=O)(=O)c1cccc(Cl)c1Cl)Nc1cc(Cl)ccc1Cl ZINC000003406221 568748734 /nfs/dbraw/zinc/74/87/34/568748734.db2.gz WPLMTEVEXDHMTJ-UHFFFAOYSA-N 0 0 428.124 4.217 50 0 IIAARN COc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000003412723 568748756 /nfs/dbraw/zinc/74/87/56/568748756.db2.gz NJUWQRFKTTUYST-UHFFFAOYSA-N 0 0 427.497 4.146 50 0 IIAARN COc1cc(NC(=O)c2n[nH]nc2Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1 ZINC000044167433 568749282 /nfs/dbraw/zinc/74/92/82/568749282.db2.gz YKBISNOLJQUBQY-UHFFFAOYSA-N 0 0 445.479 4.397 50 0 IIAARN CCOc1ccc2nc(NC(=O)[C@@H](C)n3nc(-c4ccc(C)cc4)ccc3=O)sc2c1 ZINC000044213886 568750033 /nfs/dbraw/zinc/75/00/33/568750033.db2.gz IBYHNKXSSSVEQE-OAHLLOKOSA-N 0 0 434.521 4.427 50 0 IIAARN O=C(NC1CCCCC1)C1(N(Cc2cccs2)C(=O)c2ccc(=O)[nH]c2)CCCCC1 ZINC000003626036 568751918 /nfs/dbraw/zinc/75/19/18/568751918.db2.gz RNCVQQSDXBOREB-UHFFFAOYSA-N 0 0 441.597 4.231 50 0 IIAARN CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 ZINC000003669305 568754105 /nfs/dbraw/zinc/75/41/05/568754105.db2.gz YUNVESFIEHYGKW-AWEZNQCLSA-N 0 0 427.559 4.230 50 0 IIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)(C)C)c2)C[C@H](C)O1 ZINC000015302045 568755106 /nfs/dbraw/zinc/75/51/06/568755106.db2.gz LJTAXACFAHEUCN-IRXDYDNUSA-N 0 0 430.570 4.034 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000015316622 568755205 /nfs/dbraw/zinc/75/52/05/568755205.db2.gz XDIMSVUYRHCBBQ-MRXNPFEDSA-N 0 0 436.961 4.229 50 0 IIAARN CC(C)C[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299760592 568755743 /nfs/dbraw/zinc/75/57/43/568755743.db2.gz VEUOUPAFZUZULL-GHTZIAJQSA-N 0 0 441.538 4.039 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C3CC3)n2)c(C)s1 ZINC000299772940 568756811 /nfs/dbraw/zinc/75/68/11/568756811.db2.gz DEFICXHRRGOBNF-UHFFFAOYSA-N 0 0 444.564 4.253 50 0 IIAARN NC(=O)COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586797 568759489 /nfs/dbraw/zinc/75/94/89/568759489.db2.gz YBRVWHDFCQCZNR-HXUWFJFHSA-N 0 0 425.488 4.028 50 0 biogenic IIAARN Cc1c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000004046743 568759823 /nfs/dbraw/zinc/75/98/23/568759823.db2.gz LGSKPLWFLZBBBM-SFHVURJKSA-N 0 0 429.513 4.435 50 0 biogenic IIAARN CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c(Cl)c1Cl ZINC000001234476 568760648 /nfs/dbraw/zinc/76/06/48/568760648.db2.gz ZRURWZKNRIMYAF-UHFFFAOYSA-N 0 0 436.700 4.314 50 0 IIAARN COC(=O)c1cn(Cc2cccc(-c3nc(-c4ccccc4)cs3)c2)cc2c(=O)[nH]nc1-2 ZINC000263588238 568761061 /nfs/dbraw/zinc/76/10/61/568761061.db2.gz QRQOBKUJIZJLIT-UHFFFAOYSA-N 0 0 442.500 4.302 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015391213 568761578 /nfs/dbraw/zinc/76/15/78/568761578.db2.gz JWIPVGZCFGEMOI-INIZCTEOSA-N 0 0 436.961 4.229 50 0 IIAARN Cn1c(=N)n(CC(=O)c2ccc(Br)cc2)cc1-c1cccc(Br)c1 ZINC000334157578 568762184 /nfs/dbraw/zinc/76/21/84/568762184.db2.gz OFNWCTPFAPAKOF-UHFFFAOYSA-N 0 0 449.146 4.381 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000001237681 568774345 /nfs/dbraw/zinc/77/43/45/568774345.db2.gz ORRGGLPOOKVOOZ-BOPFTXTBSA-N 0 0 444.896 4.192 50 0 IIAARN O=C(c1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000263618232 568778156 /nfs/dbraw/zinc/77/81/56/568778156.db2.gz RVRQJZOIPMVHIU-OAQYLSRUSA-N 0 0 448.498 4.092 50 0 IIAARN CCn1c(=O)c2cc(I)ccc2nc1SCCc1ccccc1 ZINC000001306198 568779276 /nfs/dbraw/zinc/77/92/76/568779276.db2.gz RXJCVCZHNXKKKX-UHFFFAOYSA-N 0 0 436.318 4.356 50 0 IIAARN CN(C)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000083844129 568782988 /nfs/dbraw/zinc/78/29/88/568782988.db2.gz HEALVIJBEXEULW-UHFFFAOYSA-N 0 0 431.330 4.415 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1 ZINC000001397099 568786113 /nfs/dbraw/zinc/78/61/13/568786113.db2.gz YJALPSATCOUANP-UHFFFAOYSA-N 0 0 433.291 4.473 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000084026660 568789908 /nfs/dbraw/zinc/78/99/08/568789908.db2.gz MOXRMNIHFSIAEP-QGZVFWFLSA-N 0 0 439.306 4.261 50 0 IIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000084019391 568789962 /nfs/dbraw/zinc/78/99/62/568789962.db2.gz XMXBFFFPTZRFBX-UHFFFAOYSA-N 0 0 434.418 4.012 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1NC(C)=O ZINC000016648772 568791253 /nfs/dbraw/zinc/79/12/53/568791253.db2.gz WBDMCYWJQAJBTF-UHFFFAOYSA-N 0 0 432.524 4.193 50 0 IIAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001423125 568793384 /nfs/dbraw/zinc/79/33/84/568793384.db2.gz DIZDZQOKPYWTEF-LJQANCHMSA-N 0 0 446.912 4.032 50 0 IIAARN O=C(C=C(Cc1ccco1)C(=O)NCc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl ZINC000001430627 568794682 /nfs/dbraw/zinc/79/46/82/568794682.db2.gz QWHYKNYXFNOKJY-NTCAYCPXSA-N 0 0 447.878 4.142 50 0 IIAARN CC(C)(C)OC(=O)NC[C@H](Nc1cc(C(F)(F)F)nc2ncnn21)C1CCCCC1 ZINC000084240491 568796285 /nfs/dbraw/zinc/79/62/85/568796285.db2.gz GMPBFZFCFQRSRI-ZDUSSCGKSA-N 0 0 428.459 4.029 50 0 IIAARN COc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000015519597 568796444 /nfs/dbraw/zinc/79/64/44/568796444.db2.gz AUPXVCADBWDGOF-UHFFFAOYSA-N 0 0 426.460 4.281 50 0 IIAARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000084247755 568796548 /nfs/dbraw/zinc/79/65/48/568796548.db2.gz CLYFXIHEXGCUMT-UHFFFAOYSA-N 0 0 425.916 4.494 50 0 IIAARN Cc1nc(-c2ccc(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)s2)cs1 ZINC000084275097 568796658 /nfs/dbraw/zinc/79/66/58/568796658.db2.gz BOYKPECXRYDPLE-UHFFFAOYSA-N 0 0 430.580 4.186 50 0 IIAARN O=C(c1ccc(I)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015538881 568797416 /nfs/dbraw/zinc/79/74/16/568797416.db2.gz UDHCZCUOUKEQNQ-MRXNPFEDSA-N 0 0 435.261 4.040 50 0 IIAARN O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000084579026 568799049 /nfs/dbraw/zinc/79/90/49/568799049.db2.gz IWZCZXATYXCLEW-SJORKVTESA-N 0 0 431.355 4.155 50 0 IIAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000015669143 568801716 /nfs/dbraw/zinc/80/17/16/568801716.db2.gz NGILJHLYOMCMFF-UHFFFAOYSA-N 0 0 433.512 4.269 50 0 IIAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc(N2CCCCC2)n1 ZINC000015671353 568802883 /nfs/dbraw/zinc/80/28/83/568802883.db2.gz OLHNCMUBRJWQMH-UHFFFAOYSA-N 0 0 441.532 4.459 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)c1C ZINC000015671331 568802903 /nfs/dbraw/zinc/80/29/03/568802903.db2.gz PJMGROHXYJFXNN-UHFFFAOYSA-N 0 0 441.557 4.021 50 0 IIAARN CCOc1ccccc1NC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(C)=O)CC1 ZINC000015679702 568805709 /nfs/dbraw/zinc/80/57/09/568805709.db2.gz DLJYCCKOBYZUIE-UHFFFAOYSA-N 0 0 425.529 4.139 50 0 IIAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1 ZINC000015680791 568806398 /nfs/dbraw/zinc/80/63/98/568806398.db2.gz DSWSRNKUXHNOAF-UHFFFAOYSA-N 0 0 434.517 4.263 50 0 IIAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCc1ccc(SC)cc1)n2C ZINC000015681798 568806618 /nfs/dbraw/zinc/80/66/18/568806618.db2.gz WAOCVKXUJMUMIO-UHFFFAOYSA-N 0 0 437.565 4.008 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C[C@@H]2C)c1 ZINC000015681559 568806774 /nfs/dbraw/zinc/80/67/74/568806774.db2.gz RSEJRTQQMQDAAD-FQEVSTJZSA-N 0 0 443.526 4.461 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015681504 568806776 /nfs/dbraw/zinc/80/67/76/568806776.db2.gz CIQCWXVPYWDANT-UHFFFAOYSA-N 0 0 425.536 4.242 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C[C@H]2C)c1 ZINC000015681558 568806788 /nfs/dbraw/zinc/80/67/88/568806788.db2.gz RSEJRTQQMQDAAD-HXUWFJFHSA-N 0 0 443.526 4.461 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSCc2cc3c(cc2Br)OCCO3)cc1 ZINC000019218082 568807486 /nfs/dbraw/zinc/80/74/86/568807486.db2.gz QJZKJCMGAYSUQM-UHFFFAOYSA-N 0 0 436.327 4.295 50 0 IIAARN COc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000015704851 568807515 /nfs/dbraw/zinc/80/75/15/568807515.db2.gz BGDLPYDXHQORQE-UHFFFAOYSA-N 0 0 434.901 4.314 50 0 IIAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)ccc1Br ZINC000015730762 568814138 /nfs/dbraw/zinc/81/41/38/568814138.db2.gz JDYSHZLCQWBYSZ-NSHDSACASA-N 0 0 441.372 4.239 50 0 IIAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2NC1=O ZINC000015730752 568814256 /nfs/dbraw/zinc/81/42/56/568814256.db2.gz HPXHVPPYCJHKKV-INIZCTEOSA-N 0 0 430.595 4.010 50 0 IIAARN COc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2nc(C)sc2n1 ZINC000015731958 568814975 /nfs/dbraw/zinc/81/49/75/568814975.db2.gz ULPGVQHZHQDIPY-UHFFFAOYSA-N 0 0 438.534 4.013 50 0 IIAARN CCN(CCCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1ccccc1 ZINC000015734871 568816510 /nfs/dbraw/zinc/81/65/10/568816510.db2.gz IKCGXRLZLRZAEC-UHFFFAOYSA-N 0 0 449.624 4.454 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734735 568816527 /nfs/dbraw/zinc/81/65/27/568816527.db2.gz QLBMROQKWHOTQE-UHFFFAOYSA-N 0 0 426.973 4.434 50 0 IIAARN COC(=O)c1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2cccs2)cc1 ZINC000001452536 568818773 /nfs/dbraw/zinc/81/87/73/568818773.db2.gz GADXTULPOWVFIN-LJQANCHMSA-N 0 0 428.897 4.239 50 0 IIAARN Cc1c(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c(=O)n(-c2ccccc2)n1C ZINC000012000320 568819449 /nfs/dbraw/zinc/81/94/49/568819449.db2.gz FTEJYMWROCJTBQ-UHFFFAOYSA-N 0 0 432.549 4.380 50 0 IIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N1CCCCC1 ZINC000001465345 568820223 /nfs/dbraw/zinc/82/02/23/568820223.db2.gz OALYUADOSHKVOW-UHFFFAOYSA-N 0 0 425.579 4.041 50 0 IIAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000001467225 568820364 /nfs/dbraw/zinc/82/03/64/568820364.db2.gz KLLXKJDFHWHQRH-QHCPKHFHSA-N 0 0 438.491 4.180 50 0 IIAARN COc1cc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCC4)c3c2cc1OC ZINC000015770541 568822368 /nfs/dbraw/zinc/82/23/68/568822368.db2.gz BFNMOXAGPNIBPG-UHFFFAOYSA-N 0 0 448.498 4.467 50 0 IIAARN COc1cccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC)cc3OC)c(C(=O)[O-])c2C)c1 ZINC000015777090 568823850 /nfs/dbraw/zinc/82/38/50/568823850.db2.gz KCLOAUPTZNUJRR-UHFFFAOYSA-N 0 0 438.524 4.167 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccco2)ccc1F ZINC000015781268 568825788 /nfs/dbraw/zinc/82/57/88/568825788.db2.gz MSKITXBBOXFWET-SFHVURJKSA-N 0 0 439.867 4.465 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(OC(F)F)cc3)sc2c1 ZINC000223419193 568826577 /nfs/dbraw/zinc/82/65/77/568826577.db2.gz QWIZNYCKVNGHLL-INIZCTEOSA-N 0 0 431.464 4.336 50 0 IIAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc4ccccc4c3)n2n1 ZINC000015783906 568826605 /nfs/dbraw/zinc/82/66/05/568826605.db2.gz HTIGEKCBOUDRKQ-UHFFFAOYSA-N 0 0 448.573 4.440 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(C)cc4)no3)o2)cc1OC ZINC000085643836 568829110 /nfs/dbraw/zinc/82/91/10/568829110.db2.gz UHRJGILYCDTNSV-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN CCCn1c(C)c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c2cc(OC)ccc21 ZINC000026062678 568830546 /nfs/dbraw/zinc/83/05/46/568830546.db2.gz UVNOOSHUGVXKFP-UHFFFAOYSA-N 0 0 441.553 4.061 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)NC[C@H]2CCCO2)c1C ZINC000085711955 568835338 /nfs/dbraw/zinc/83/53/38/568835338.db2.gz JQVXANOMYGSQPO-HXUWFJFHSA-N 0 0 427.545 4.007 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)NCc2ccc(F)cc2)c1C ZINC000085712242 568835378 /nfs/dbraw/zinc/83/53/78/568835378.db2.gz HMNCSKUWQKZFJL-UHFFFAOYSA-N 0 0 427.476 4.452 50 0 IIAARN CCOC(=O)c1c(C(=O)OCC)c2c3ccccc3cnn2c1C(=O)c1ccc(F)cc1 ZINC000004542514 568841762 /nfs/dbraw/zinc/84/17/62/568841762.db2.gz IVLPXTXJYRIVRW-UHFFFAOYSA-N 0 0 434.423 4.211 50 0 IIAARN O=C(CSC(=S)N1CCSCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000038216760 568842985 /nfs/dbraw/zinc/84/29/85/568842985.db2.gz FTMRHYYQCLKPLU-FQEVSTJZSA-N 0 0 441.647 4.431 50 0 IIAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347268 568844113 /nfs/dbraw/zinc/84/41/13/568844113.db2.gz BPYSIBBIDTVCQX-MXCBOYSLSA-N 0 0 434.617 4.135 50 0 IIAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1=O ZINC000015843027 568844679 /nfs/dbraw/zinc/84/46/79/568844679.db2.gz QXYBMYLJUBSHJX-MRXNPFEDSA-N 0 0 436.489 4.044 50 0 IIAARN O=C(N/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCOCC1)c1ccccc1 ZINC000006142578 568845466 /nfs/dbraw/zinc/84/54/66/568845466.db2.gz OBJBNRRRVFHJDE-CLCOLTQESA-N 0 0 428.488 4.109 50 0 IIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000015865571 568850302 /nfs/dbraw/zinc/85/03/02/568850302.db2.gz AMWBHQCSWRRLFB-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015870563 568851951 /nfs/dbraw/zinc/85/19/51/568851951.db2.gz OZHKOHVEWWNDMQ-UHFFFAOYSA-N 0 0 427.476 4.438 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccc(F)cc4)CC3)[nH]c2c1 ZINC000015868641 568852281 /nfs/dbraw/zinc/85/22/81/568852281.db2.gz GNIJELZQARSOKS-INIZCTEOSA-N 0 0 437.515 4.120 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(S(=O)(=O)CC)nn3)c2)cc1 ZINC000015880847 568854431 /nfs/dbraw/zinc/85/44/31/568854431.db2.gz AFEUMSDZBXHKNG-UHFFFAOYSA-N 0 0 439.537 4.368 50 0 IIAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880625 568854876 /nfs/dbraw/zinc/85/48/76/568854876.db2.gz YFMUXYZDHZWOCH-UHFFFAOYSA-N 0 0 444.944 4.351 50 0 IIAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc5ccccc5c4)n3n2)cc1 ZINC000015881829 568856074 /nfs/dbraw/zinc/85/60/74/568856074.db2.gz PTNFROLHEZDGHG-UHFFFAOYSA-N 0 0 448.573 4.440 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)c4ccc(Cl)cc4)c(C)n3n2)cc1 ZINC000015882103 568856490 /nfs/dbraw/zinc/85/64/90/568856490.db2.gz JKWQQFTXQHNYSQ-UHFFFAOYSA-N 0 0 426.929 4.401 50 0 IIAARN CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)CC1 ZINC000015882205 568856849 /nfs/dbraw/zinc/85/68/49/568856849.db2.gz QJLCQSZRHCSXLX-UHFFFAOYSA-N 0 0 426.517 4.320 50 0 IIAARN COC(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000016002160 568862309 /nfs/dbraw/zinc/86/23/09/568862309.db2.gz IXBIEQYUKAIWKS-DEOSSOPVSA-N 0 0 431.488 4.278 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000016042589 568868221 /nfs/dbraw/zinc/86/82/21/568868221.db2.gz APLBFUCQJIMXLC-ORAYPTAESA-N 0 0 429.513 4.435 50 0 IIAARN CC(C)CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016044274 568868581 /nfs/dbraw/zinc/86/85/81/568868581.db2.gz KDUCEFFCUQSJIO-UHFFFAOYSA-N 0 0 435.417 4.479 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c1 ZINC000012941692 568869956 /nfs/dbraw/zinc/86/99/56/568869956.db2.gz IQDSKYFEVLSMKO-UHFFFAOYSA-N 0 0 432.496 4.367 50 0 IIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1OC ZINC000012944929 568870560 /nfs/dbraw/zinc/87/05/60/568870560.db2.gz CHVDRFUXGCPZKC-UHFFFAOYSA-N 0 0 448.519 4.357 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000012945308 568870907 /nfs/dbraw/zinc/87/09/07/568870907.db2.gz WJWUOXHKILJJRI-FQEVSTJZSA-N 0 0 448.585 4.213 50 0 IIAARN COc1ccc(CCNC(=S)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000016215915 568873249 /nfs/dbraw/zinc/87/32/49/568873249.db2.gz CJANFPJCFBABKM-UHFFFAOYSA-N 0 0 435.549 4.485 50 0 IIAARN O=C(CSc1nccc(C(F)(F)F)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000026340545 568877046 /nfs/dbraw/zinc/87/70/46/568877046.db2.gz TUQPEGUPVNSKOS-AWEZNQCLSA-N 0 0 439.459 4.113 50 0 IIAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000575609858 568878768 /nfs/dbraw/zinc/87/87/68/568878768.db2.gz IRWQQPZTWIMETA-GOSISDBHSA-N 0 0 434.439 4.222 50 0 IIAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cc(Br)ccc1Cl ZINC000575611896 568879153 /nfs/dbraw/zinc/87/91/53/568879153.db2.gz HRBJJUYHDNIQKM-HXUWFJFHSA-N 0 0 438.749 4.147 50 0 IIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006271112 568881478 /nfs/dbraw/zinc/88/14/78/568881478.db2.gz KKSKRMLZUQBYFU-UHFFFAOYSA-N 0 0 425.554 4.304 50 0 IIAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCCn1ccnc1 ZINC000006283183 568881943 /nfs/dbraw/zinc/88/19/43/568881943.db2.gz XLWKDROHNLINJP-CQSZACIVSA-N 0 0 435.475 4.046 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)[C@H]1C ZINC000102250471 568883809 /nfs/dbraw/zinc/88/38/09/568883809.db2.gz KTLLRXUTAYYWRP-LVCYWYKZSA-N 0 0 432.524 4.032 50 0 IIAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccc(OC(F)(F)F)cc1 ZINC000090504331 568886552 /nfs/dbraw/zinc/88/65/52/568886552.db2.gz UQYRXWPEUFIGRU-UHFFFAOYSA-N 0 0 431.414 4.340 50 0 IIAARN C[C@H](NC(=O)CN(Cc1cccs1)Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000016396746 568887295 /nfs/dbraw/zinc/88/72/95/568887295.db2.gz MRNJJPYFHAKLOM-INIZCTEOSA-N 0 0 428.579 4.460 50 0 IIAARN Cc1c(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593794 568889228 /nfs/dbraw/zinc/88/92/28/568889228.db2.gz VPCRDYFZDWHYES-SPLOXXLWSA-N 0 0 437.496 4.355 50 0 IIAARN COc1ccccc1-c1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1N ZINC000012972598 568889392 /nfs/dbraw/zinc/88/93/92/568889392.db2.gz NLRXNPGQIPKZDE-HXUWFJFHSA-N 0 0 449.511 4.279 50 0 IIAARN Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl ZINC000090608244 568891019 /nfs/dbraw/zinc/89/10/19/568891019.db2.gz PZUVRBTVXFTOCJ-UHFFFAOYSA-N 0 0 434.414 4.228 50 0 IIAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000090610221 568892073 /nfs/dbraw/zinc/89/20/73/568892073.db2.gz UWFPCNLDZPEIOH-UHFFFAOYSA-N 0 0 441.491 4.357 50 0 IIAARN O=C(/C=C/c1ccc(Br)o1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040081803 568896525 /nfs/dbraw/zinc/89/65/25/568896525.db2.gz FPLACUDIKXMALA-KSEUIEODSA-N 0 0 426.314 4.494 50 0 IIAARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000040079851 568896617 /nfs/dbraw/zinc/89/66/17/568896617.db2.gz HRWDBXWMJCUWKC-OVCLIPMQSA-N 0 0 427.504 4.339 50 0 IIAARN CC(C)CC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000013002407 568898364 /nfs/dbraw/zinc/89/83/64/568898364.db2.gz UHCVBJPXLXFINU-UHFFFAOYSA-N 0 0 429.948 4.261 50 0 IIAARN O=C(COc1ccccc1Br)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003584 568898616 /nfs/dbraw/zinc/89/86/16/568898616.db2.gz MEYHHWZGZPMMRG-OAHLLOKOSA-N 0 0 443.219 4.134 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3ccc(C(F)(F)F)cc3)s1)CS2 ZINC000013001254 568898955 /nfs/dbraw/zinc/89/89/55/568898955.db2.gz QKIDOUJZTQEGAN-KSSFIOAISA-N 0 0 441.500 4.145 50 0 IIAARN COc1cc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)ccc1OCc1ccccc1 ZINC000013007744 568899454 /nfs/dbraw/zinc/89/94/54/568899454.db2.gz ACYYWLFFCAQJTQ-OAQYLSRUSA-N 0 0 448.519 4.036 50 0 IIAARN COC(=O)CN(C)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000013008336 568899588 /nfs/dbraw/zinc/89/95/88/568899588.db2.gz NFHYPZOPYSCCAW-UHFFFAOYSA-N 0 0 426.325 4.006 50 0 IIAARN COC(=O)c1ccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000013014546 568901386 /nfs/dbraw/zinc/90/13/86/568901386.db2.gz SRTFICSUIMJVAI-UHFFFAOYSA-N 0 0 434.439 4.474 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 ZINC000001779036 568906721 /nfs/dbraw/zinc/90/67/21/568906721.db2.gz PISZXXBJWFSMSW-ZDUSSCGKSA-N 0 0 429.538 4.462 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001785796 568907654 /nfs/dbraw/zinc/90/76/54/568907654.db2.gz JUVICRZANVDBAA-UHFFFAOYSA-N 0 0 445.906 4.413 50 0 IIAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000138935168 568909408 /nfs/dbraw/zinc/90/94/08/568909408.db2.gz GWDKFFDTNYDZTC-RJGXRXQPSA-N 0 0 446.528 4.468 50 0 IIAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238937459 568910453 /nfs/dbraw/zinc/91/04/53/568910453.db2.gz VOOMCSJTSLNGRL-VAMGGRTRSA-N 0 0 440.908 4.461 50 0 IIAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)(C)C)cc21 ZINC000001901777 568918325 /nfs/dbraw/zinc/91/83/25/568918325.db2.gz QUPHODMNBJLGGA-UHFFFAOYSA-N 0 0 443.290 4.027 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C[C@@H]([C@@]1(O)c3ccccc3NC1=O)C2=O ZINC000253508266 568920233 /nfs/dbraw/zinc/92/02/33/568920233.db2.gz ANRFRODGBYZULY-VLCWUKNQSA-N 0 0 437.580 4.025 50 0 IIAARN CCS(=O)(=O)Oc1ccc(CN(C(C)C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000016499145 568920411 /nfs/dbraw/zinc/92/04/11/568920411.db2.gz FUPPPESLEGTNNZ-UHFFFAOYSA-N 0 0 447.578 4.168 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000089365261 568921140 /nfs/dbraw/zinc/92/11/40/568921140.db2.gz PFZCUPDAAWXTDB-UHFFFAOYSA-N 0 0 431.897 4.393 50 0 IIAARN O=C(Nc1ccccc1O)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000001954052 568923899 /nfs/dbraw/zinc/92/38/99/568923899.db2.gz BBKWCBMBBQIERM-UHFFFAOYSA-N 0 0 439.899 4.208 50 0 IIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cc(Cl)ccc1OC ZINC000016588639 568924359 /nfs/dbraw/zinc/92/43/59/568924359.db2.gz FFNUAWNSHQCSEI-UHFFFAOYSA-N 0 0 443.853 4.267 50 0 IIAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3)c(C)c2oc1=O ZINC000001130764 568924826 /nfs/dbraw/zinc/92/48/26/568924826.db2.gz YWNDNAKZOLROCT-UHFFFAOYSA-N 0 0 431.282 4.467 50 0 biogenic IIAARN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(-n3ccnc3SC)c2)C1 ZINC000089457725 568925608 /nfs/dbraw/zinc/92/56/08/568925608.db2.gz UERGLVUHJZFSEP-KRWDZBQOSA-N 0 0 442.972 4.265 50 0 IIAARN COc1cc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc(OC)c1 ZINC000064452328 568929242 /nfs/dbraw/zinc/92/92/42/568929242.db2.gz SHVVBEMBJOXTJO-SFHVURJKSA-N 0 0 448.523 4.450 50 0 IIAARN CCCc1nnc2sc(-c3ccc(CNC(=O)c4cc(Cl)ccc4OC)cc3)nn12 ZINC000064450197 568929296 /nfs/dbraw/zinc/92/92/96/568929296.db2.gz CRAJCCWESSRWBO-UHFFFAOYSA-N 0 0 441.944 4.397 50 0 IIAARN COc1cc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc(OC)c1 ZINC000064459796 568929464 /nfs/dbraw/zinc/92/94/64/568929464.db2.gz DICMBEIFFYMKRV-UHFFFAOYSA-N 0 0 432.524 4.081 50 0 IIAARN Cc1nc2sc3c(c2c(N2CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4)CC2)n1)CCCC3 ZINC000035888262 568930976 /nfs/dbraw/zinc/93/09/76/568930976.db2.gz SXTRAZZHFUDZHV-VQTJNVASSA-N 0 0 432.593 4.331 50 0 IIAARN CCn1c(SCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 ZINC000016661940 568931680 /nfs/dbraw/zinc/93/16/80/568931680.db2.gz QTTOPYRIFMOZJK-UHFFFAOYSA-N 0 0 440.308 4.383 50 0 IIAARN COc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064558062 568931965 /nfs/dbraw/zinc/93/19/65/568931965.db2.gz IGFVGRLSMVHIQL-QFIPXVFZSA-N 0 0 449.528 4.331 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000064566164 568933026 /nfs/dbraw/zinc/93/30/26/568933026.db2.gz LGBQRARFUHHKHK-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)CC2)cc1 ZINC000064589556 568934984 /nfs/dbraw/zinc/93/49/84/568934984.db2.gz VGSKFEBVPQWIBU-UHFFFAOYSA-N 0 0 447.510 4.407 50 0 IIAARN Cc1ccc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)cc1C ZINC000064593530 568935875 /nfs/dbraw/zinc/93/58/75/568935875.db2.gz MGSJULHVNZLYKO-UHFFFAOYSA-N 0 0 432.549 4.397 50 0 IIAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12)C(=O)Nc1ccccc1C ZINC000064593612 568936108 /nfs/dbraw/zinc/93/61/08/568936108.db2.gz DCTRKDOVNXMFIE-HXUWFJFHSA-N 0 0 447.564 4.315 50 0 IIAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000016690082 568938489 /nfs/dbraw/zinc/93/84/89/568938489.db2.gz PRLUGTZOQCREFO-QGZVFWFLSA-N 0 0 448.976 4.077 50 0 IIAARN CCc1ccccc1NC(=O)[C@H](C)n1nc(-c2ccc(Cl)cc2)cc(NC(C)=O)c1=O ZINC000064605056 568939074 /nfs/dbraw/zinc/93/90/74/568939074.db2.gz SZIOCCSYDRZERU-AWEZNQCLSA-N 0 0 438.915 4.284 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000064605042 568939079 /nfs/dbraw/zinc/93/90/79/568939079.db2.gz BMLDHVWQVRYORT-UHFFFAOYSA-N 0 0 438.915 4.284 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000064605040 568939106 /nfs/dbraw/zinc/93/91/06/568939106.db2.gz XYAGLQYUMCLTFG-UHFFFAOYSA-N 0 0 438.915 4.284 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000064605360 568939591 /nfs/dbraw/zinc/93/95/91/568939591.db2.gz UMRVQRLNCHSKBN-SFHVURJKSA-N 0 0 432.524 4.321 50 0 IIAARN CCOC(=O)C1=C(CN2CCCCC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991592 568941726 /nfs/dbraw/zinc/94/17/26/568941726.db2.gz HMLQYASYTGAFJM-XMMPIXPASA-N 0 0 449.551 4.478 50 0 IIAARN CCOC(=O)C1=C(CN2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991103 568941793 /nfs/dbraw/zinc/94/17/93/568941793.db2.gz LWTAKMDYPWALLI-JOCHJYFZSA-N 0 0 427.589 4.373 50 0 IIAARN COc1ccccc1N1CCN(C(=O)Cc2oc(-c3ccccc3)nc2CC(C)C)CC1 ZINC000064612515 568941813 /nfs/dbraw/zinc/94/18/13/568941813.db2.gz NTDNYPDIXAERPE-UHFFFAOYSA-N 0 0 433.552 4.440 50 0 IIAARN Cc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3=O)cc1Cl ZINC000064665444 568942687 /nfs/dbraw/zinc/94/26/87/568942687.db2.gz YQRNPHAWLSVOJM-UHFFFAOYSA-N 0 0 426.879 4.282 50 0 IIAARN Cc1ccc(CNS(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)o1 ZINC000064668377 568943338 /nfs/dbraw/zinc/94/33/38/568943338.db2.gz RBXPVIDBEQINLR-UHFFFAOYSA-N 0 0 444.553 4.364 50 0 IIAARN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000006641401 568943694 /nfs/dbraw/zinc/94/36/94/568943694.db2.gz ITSCQCNNKPDZBV-SWHJIRTISA-N 0 0 425.525 4.221 50 0 IIAARN CCOc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063948 568945091 /nfs/dbraw/zinc/94/50/91/568945091.db2.gz JYJXTTTUPQDWMQ-RXVVDRJESA-N 0 0 429.561 4.029 50 0 IIAARN Cc1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068419 568945346 /nfs/dbraw/zinc/94/53/46/568945346.db2.gz RMLPSICNCRQKAZ-UHFFFAOYSA-N 0 0 433.508 4.115 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1 ZINC000036068698 568945541 /nfs/dbraw/zinc/94/55/41/568945541.db2.gz KHQMLXYDUNQFQU-HXUWFJFHSA-N 0 0 441.478 4.064 50 0 IIAARN COc1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c(OC)c1 ZINC000036073327 568945906 /nfs/dbraw/zinc/94/59/06/568945906.db2.gz NSFQVKFFCSHMSX-QGZVFWFLSA-N 0 0 435.524 4.347 50 0 IIAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)C(C)C)c1 ZINC000036083024 568947020 /nfs/dbraw/zinc/94/70/20/568947020.db2.gz OZDFXDWTAPZEIW-UHFFFAOYSA-N 0 0 441.503 4.172 50 0 IIAARN O=C(NCc1ccccc1C(F)(F)F)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 ZINC000064744130 568948851 /nfs/dbraw/zinc/94/88/51/568948851.db2.gz XGBYKPNQPNKFEY-UHFFFAOYSA-N 0 0 443.404 4.205 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000064746897 568949817 /nfs/dbraw/zinc/94/98/17/568949817.db2.gz TYZRZZZAQZMDNF-UHFFFAOYSA-N 0 0 430.892 4.363 50 0 IIAARN Cc1ccc(CNC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1 ZINC000064746959 568950247 /nfs/dbraw/zinc/95/02/47/568950247.db2.gz RWPKZPJSXJBEJO-UHFFFAOYSA-N 0 0 440.528 4.298 50 0 IIAARN CCCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1cccnc1SC)CC2 ZINC000064754471 568950858 /nfs/dbraw/zinc/95/08/58/568950858.db2.gz LIWNVCSWTBNCIR-UHFFFAOYSA-N 0 0 435.549 4.425 50 0 IIAARN CC[C@@H](C)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000006695965 568952523 /nfs/dbraw/zinc/95/25/23/568952523.db2.gz ULWJSOIHNPNIBX-MRXNPFEDSA-N 0 0 430.524 4.309 50 0 IIAARN COc1cccc(CN(Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036103620 568952931 /nfs/dbraw/zinc/95/29/31/568952931.db2.gz DZSPBRXBOKMOOD-LJQANCHMSA-N 0 0 431.916 4.392 50 0 IIAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1OC ZINC000064775752 568954916 /nfs/dbraw/zinc/95/49/16/568954916.db2.gz WUNLKSYQWNRUIK-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114591 568955281 /nfs/dbraw/zinc/95/52/81/568955281.db2.gz GFTFPXYQMFYPGN-UHFFFAOYSA-N 0 0 426.538 4.410 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119473 568956100 /nfs/dbraw/zinc/95/61/00/568956100.db2.gz HCWOVGFJOZUVNP-UWJYYQICSA-N 0 0 426.582 4.290 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1ccco1 ZINC000036119555 568956764 /nfs/dbraw/zinc/95/67/64/568956764.db2.gz HSZZIBDWSAITAD-HXUWFJFHSA-N 0 0 438.549 4.398 50 0 IIAARN Cc1cc(Nc2ccc(C(=O)N3CCCCCC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791470 568957707 /nfs/dbraw/zinc/95/77/07/568957707.db2.gz LHHMUHWMFNKTJQ-UHFFFAOYSA-N 0 0 427.512 4.255 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121226 568957824 /nfs/dbraw/zinc/95/78/24/568957824.db2.gz LEUMSAQHTBRYAU-OAQYLSRUSA-N 0 0 432.561 4.287 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121545 568958338 /nfs/dbraw/zinc/95/83/38/568958338.db2.gz PYRNQDFCTREAGL-IBGZPJMESA-N 0 0 432.561 4.429 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121447 568958366 /nfs/dbraw/zinc/95/83/66/568958366.db2.gz JJVBNOLBCVXWGV-IIBYNOLFSA-N 0 0 444.572 4.429 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036123058 568958571 /nfs/dbraw/zinc/95/85/71/568958571.db2.gz ZWJGYEYEAUPSHR-FQEVSTJZSA-N 0 0 447.576 4.080 50 0 IIAARN CCCNC(=O)N(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C ZINC000036123959 568958711 /nfs/dbraw/zinc/95/87/11/568958711.db2.gz TUWOICOBOSFEEV-LJQANCHMSA-N 0 0 429.586 4.003 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)Nc1ccc(Cl)cc1 ZINC000064792490 568959251 /nfs/dbraw/zinc/95/92/51/568959251.db2.gz ZEJIWLUGKZSYAH-JOCHJYFZSA-N 0 0 442.910 4.416 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cccc(Cl)c2C)c1C ZINC000064792283 568959275 /nfs/dbraw/zinc/95/92/75/568959275.db2.gz PCSZMPIFPVEZRO-UHFFFAOYSA-N 0 0 449.942 4.419 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccc(C)cc2)cc1 ZINC000064792770 568959371 /nfs/dbraw/zinc/95/93/71/568959371.db2.gz WRZUISDLIRWXHW-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN COc1ccc(NC(=O)Cn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)cc1Cl ZINC000064814384 568963977 /nfs/dbraw/zinc/96/39/77/568963977.db2.gz QEQSZULMIUEXRI-UHFFFAOYSA-N 0 0 441.793 4.127 50 0 IIAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(OCC)cc3)c(C)o2)cc1 ZINC000064817900 568964879 /nfs/dbraw/zinc/96/48/79/568964879.db2.gz UMKBAQRGBKYSGT-UHFFFAOYSA-N 0 0 430.526 4.268 50 0 IIAARN O=C(NCc1ccccc1F)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819382 568966195 /nfs/dbraw/zinc/96/61/95/568966195.db2.gz PRKPFIINIRXXFM-UHFFFAOYSA-N 0 0 442.494 4.055 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000064819621 568966532 /nfs/dbraw/zinc/96/65/32/568966532.db2.gz CYMQXUNCYOBUFB-UHFFFAOYSA-N 0 0 444.535 4.122 50 0 IIAARN COc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc(OC)c1OC ZINC000064820002 568966755 /nfs/dbraw/zinc/96/67/55/568966755.db2.gz NVBGGUOWRMBYSQ-UHFFFAOYSA-N 0 0 425.460 4.379 50 0 IIAARN COc1cccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000036164591 568968048 /nfs/dbraw/zinc/96/80/48/568968048.db2.gz LLRYERHKWSYWKG-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1C ZINC000036166198 568968603 /nfs/dbraw/zinc/96/86/03/568968603.db2.gz RMHJFCCZKPURIO-VWLOTQADSA-N 0 0 436.577 4.469 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842411 568970759 /nfs/dbraw/zinc/97/07/59/568970759.db2.gz JRVTYFFUAFFGFL-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842749 568971102 /nfs/dbraw/zinc/97/11/02/568971102.db2.gz GCUKKHSPUUMATC-INIZCTEOSA-N 0 0 446.507 4.493 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064848212 568971569 /nfs/dbraw/zinc/97/15/69/568971569.db2.gz ZRBZRQBZGRFFQP-UHFFFAOYSA-N 0 0 449.576 4.402 50 0 IIAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC000064845870 568971998 /nfs/dbraw/zinc/97/19/98/568971998.db2.gz ALLAZTJUNXMIRT-UHFFFAOYSA-N 0 0 449.573 4.287 50 0 IIAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)NC4CCCCCC4)nc(CC)n23)s1 ZINC000006749622 568972150 /nfs/dbraw/zinc/97/21/50/568972150.db2.gz FOZVBDWVFZFFOB-UHFFFAOYSA-N 0 0 428.602 4.455 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000064867217 568975043 /nfs/dbraw/zinc/97/50/43/568975043.db2.gz MXACPLVOFFUXQD-UHFFFAOYSA-N 0 0 440.521 4.272 50 0 IIAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3NC(CC(=O)OC)=C2)cc1 ZINC000064869481 568976036 /nfs/dbraw/zinc/97/60/36/568976036.db2.gz VLDKJYSENGWACS-UHFFFAOYSA-N 0 0 425.510 4.360 50 0 IIAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)NCc2cccs2)=Nc2ccccc2N1 ZINC000064869868 568976568 /nfs/dbraw/zinc/97/65/68/568976568.db2.gz SOKOKXNSLCDGHA-CQSZACIVSA-N 0 0 429.567 4.479 50 0 IIAARN Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)C(C)C)c3)[C@@H]2C(=O)NC(C)C)cc1 ZINC000036218803 568977583 /nfs/dbraw/zinc/97/75/83/568977583.db2.gz WNSMYITZXOFQSM-YADHBBJMSA-N 0 0 437.540 4.176 50 0 IIAARN CCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1 ZINC000036218538 568977590 /nfs/dbraw/zinc/97/75/90/568977590.db2.gz XHUAMWYGPSSHRL-PKTZIBPZSA-N 0 0 443.503 4.137 50 0 IIAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1 ZINC000064872041 568977796 /nfs/dbraw/zinc/97/77/96/568977796.db2.gz VLVRKKFESAXXAA-UHFFFAOYSA-N 0 0 434.514 4.363 50 0 IIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc1OC ZINC000064871901 568977914 /nfs/dbraw/zinc/97/79/14/568977914.db2.gz UPVJRHXQINFOAM-UHFFFAOYSA-N 0 0 446.550 4.151 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000064872216 568978425 /nfs/dbraw/zinc/97/84/25/568978425.db2.gz KUAOZDICUMEATG-MRXNPFEDSA-N 0 0 444.578 4.463 50 0 IIAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2C)c2cc(OC)cc(OC)c2)c1 ZINC000036248310 568982620 /nfs/dbraw/zinc/98/26/20/568982620.db2.gz KULGKIJTBDTGHS-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN O=C(c1cccs1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1 ZINC000036249225 568983191 /nfs/dbraw/zinc/98/31/91/568983191.db2.gz XEAZKXRFHKZIBY-UHFFFAOYSA-N 0 0 427.501 4.184 50 0 IIAARN CC(C)CC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)CC(C)C ZINC000036249339 568983213 /nfs/dbraw/zinc/98/32/13/568983213.db2.gz ZURPFHZLVUNOKW-UHFFFAOYSA-N 0 0 430.568 4.263 50 0 IIAARN CCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)cc1 ZINC000064920751 568985407 /nfs/dbraw/zinc/98/54/07/568985407.db2.gz SLBXGAGVFXBGKE-UHFFFAOYSA-N 0 0 433.555 4.333 50 0 IIAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(Cl)cc1C ZINC000064924427 568986282 /nfs/dbraw/zinc/98/62/82/568986282.db2.gz DLSUZUOYBHREBQ-UHFFFAOYSA-N 0 0 438.963 4.412 50 0 IIAARN CCc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064927966 568986851 /nfs/dbraw/zinc/98/68/51/568986851.db2.gz MINUTXXTUOQRBD-UHFFFAOYSA-N 0 0 436.943 4.303 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927424 568987043 /nfs/dbraw/zinc/98/70/43/568987043.db2.gz IVYISXHTBWAUKV-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN CCc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(CC)cc4)n3)CC2)cc1 ZINC000064927273 568987169 /nfs/dbraw/zinc/98/71/69/568987169.db2.gz QIWXVAXSSCRIMM-UHFFFAOYSA-N 0 0 430.552 4.212 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1C ZINC000064928822 568987818 /nfs/dbraw/zinc/98/78/18/568987818.db2.gz MCPQJPFZNDNEDQ-SFHVURJKSA-N 0 0 436.943 4.358 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930171 568988016 /nfs/dbraw/zinc/98/80/16/568988016.db2.gz LHSHNMLMLQXLOO-QGZVFWFLSA-N 0 0 444.919 4.489 50 0 IIAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169677912 568990307 /nfs/dbraw/zinc/99/03/07/568990307.db2.gz FNNVUONEJXKGGR-GCJKJVERSA-N 0 0 447.476 4.238 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681180 568991791 /nfs/dbraw/zinc/99/17/91/568991791.db2.gz QHCWVKMCAIJRBV-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681233 568992778 /nfs/dbraw/zinc/99/27/78/568992778.db2.gz RWSYTSGKDYTVAX-UHFFFAOYSA-N 0 0 448.404 4.367 50 0 IIAARN CCCCc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCCC5)cc1 ZINC000064945798 568993027 /nfs/dbraw/zinc/99/30/27/568993027.db2.gz HZHOXFBTNJJZJM-UHFFFAOYSA-N 0 0 449.580 4.356 50 0 IIAARN COc1cccc(CNC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)c1 ZINC000064945123 568993357 /nfs/dbraw/zinc/99/33/57/568993357.db2.gz XVFMUZKZRDDJTF-UHFFFAOYSA-N 0 0 428.945 4.159 50 0 IIAARN COc1ccc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)cc1OC ZINC000064945084 568993381 /nfs/dbraw/zinc/99/33/81/568993381.db2.gz XEWWKZSDRUWZDE-UHFFFAOYSA-N 0 0 444.944 4.490 50 0 IIAARN CCCn1c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2sc1=O ZINC000064946817 568993901 /nfs/dbraw/zinc/99/39/01/568993901.db2.gz CIOKPJGXKDJUCM-UHFFFAOYSA-N 0 0 441.372 4.345 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948538 568994449 /nfs/dbraw/zinc/99/44/49/568994449.db2.gz JXCJCWWFHVSRDL-UHFFFAOYSA-N 0 0 438.509 4.418 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000064949220 568994788 /nfs/dbraw/zinc/99/47/88/568994788.db2.gz PGXILXVMCYVGMT-UHFFFAOYSA-N 0 0 449.536 4.308 50 0 IIAARN O=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)nn1-c1cccc(Br)c1 ZINC000064949965 568995447 /nfs/dbraw/zinc/99/54/47/568995447.db2.gz OITRLWULCOXDHK-UHFFFAOYSA-N 0 0 446.264 4.260 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc43)n2)cc1OC ZINC000064950198 568995636 /nfs/dbraw/zinc/99/56/36/568995636.db2.gz HBQFBXQMUAHYOY-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN C[C@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000036310440 568996635 /nfs/dbraw/zinc/99/66/35/568996635.db2.gz UILXMGNRIVPOCE-GBXCKJPGSA-N 0 0 434.584 4.272 50 0 IIAARN CC(C)c1ccc(NC(=O)N2CCN([C@@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310666 568996699 /nfs/dbraw/zinc/99/66/99/568996699.db2.gz CFYVMCXSPZOQGJ-HSZRJFAPSA-N 0 0 426.605 4.141 50 0 IIAARN CCCN(C)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310907 568996905 /nfs/dbraw/zinc/99/69/05/568996905.db2.gz HGCHCLMSUAYJQC-HSZRJFAPSA-N 0 0 428.621 4.387 50 0 IIAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c(C)c1 ZINC000064952152 568997292 /nfs/dbraw/zinc/99/72/92/568997292.db2.gz XZYPEIGVSNBAFZ-UHFFFAOYSA-N 0 0 447.626 4.491 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036311573 568998161 /nfs/dbraw/zinc/99/81/61/568998161.db2.gz LYJVGUYQEDYCJW-JOCHJYFZSA-N 0 0 443.950 4.434 50 0 IIAARN COc1ccc(CNC(=O)N2CCN(Cc3nc4cc(C(C)(C)C)ccc4o3)CC2)cc1 ZINC000064957181 568999426 /nfs/dbraw/zinc/99/94/26/568999426.db2.gz RODDEUAUDPVKPH-UHFFFAOYSA-N 0 0 436.556 4.161 50 0 IIAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3C)c(C)o2)c1OC ZINC000064967470 569001217 /nfs/dbraw/zinc/00/12/17/569001217.db2.gz SQHZFBWSVMBMSH-UHFFFAOYSA-N 0 0 447.495 4.176 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(F)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970992 569076464 /nfs/dbraw/zinc/07/64/64/569076464.db2.gz QILQPQUIMNXNDR-FQEVSTJZSA-N 0 0 433.487 4.236 50 0 IIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4C)c3=O)n2)cc1 ZINC000064971835 569076807 /nfs/dbraw/zinc/07/68/07/569076807.db2.gz KGTJXQUWJYTJDW-UHFFFAOYSA-N 0 0 444.491 4.138 50 0 IIAARN O=C(Nc1cccc(F)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064972159 569076861 /nfs/dbraw/zinc/07/68/61/569076861.db2.gz FMDWFPDUXYWVDA-OAQYLSRUSA-N 0 0 444.915 4.233 50 0 IIAARN COc1cccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000064976859 569077222 /nfs/dbraw/zinc/07/72/22/569077222.db2.gz WTUQSXYVIRRBSY-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN CC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c1 ZINC000064978339 569077860 /nfs/dbraw/zinc/07/78/60/569077860.db2.gz ZDDUOZRWZPFCKW-UHFFFAOYSA-N 0 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ZINC000065201161 569115084 /nfs/dbraw/zinc/11/50/84/569115084.db2.gz XRLXRNCKIXXPRW-UHFFFAOYSA-N 0 0 449.551 4.048 50 0 IIAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)[C@@H]1COc2ccccc2O1 ZINC000065195982 569115571 /nfs/dbraw/zinc/11/55/71/569115571.db2.gz ROPYTEFQDJJDID-SFHVURJKSA-N 0 0 437.452 4.060 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1cc(F)ccc1Cl ZINC000065209375 569116075 /nfs/dbraw/zinc/11/60/75/569116075.db2.gz VIBNQVUWKABLTH-SFHVURJKSA-N 0 0 446.935 4.129 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)CC1 ZINC000065201243 569116199 /nfs/dbraw/zinc/11/61/99/569116199.db2.gz KCTQGFQUZGANBP-UHFFFAOYSA-N 0 0 445.588 4.217 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccc(C)cc2)CC1 ZINC000065209769 569116438 /nfs/dbraw/zinc/11/64/38/569116438.db2.gz XVOXJMWBQAKFIZ-UHFFFAOYSA-N 0 0 431.536 4.322 50 0 IIAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000065219408 569117143 /nfs/dbraw/zinc/11/71/43/569117143.db2.gz 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COc1ccc(CNC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)cc1 ZINC000065241477 569121007 /nfs/dbraw/zinc/12/10/07/569121007.db2.gz ZYVOTFFYZVHTCT-UHFFFAOYSA-N 0 0 431.517 4.294 50 0 IIAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)NCc3cnn(-c4ccccc4)c3)c12 ZINC000036616120 569122725 /nfs/dbraw/zinc/12/27/25/569122725.db2.gz FSIHBELKVYDNBS-UHFFFAOYSA-N 0 0 436.519 4.368 50 0 IIAARN Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613422 569123853 /nfs/dbraw/zinc/12/38/53/569123853.db2.gz PIHXSOHEPSUMRV-UHFFFAOYSA-N 0 0 430.483 4.295 50 0 IIAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)Nc3cc(C)ccc3C)CC2)n1 ZINC000065258103 569124317 /nfs/dbraw/zinc/12/43/17/569124317.db2.gz NNUZYDOMZJDDPK-UHFFFAOYSA-N 0 0 434.544 4.445 50 0 IIAARN CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O ZINC000065258828 569124654 /nfs/dbraw/zinc/12/46/54/569124654.db2.gz ITSHFYZZRHQXFJ-UHFFFAOYSA-N 0 0 439.537 4.336 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)cc1F ZINC000065259964 569124843 /nfs/dbraw/zinc/12/48/43/569124843.db2.gz OBYAYIXKSMHDLV-RUZDIDTESA-N 0 0 436.531 4.497 50 0 biogenic IIAARN COc1cccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1OC ZINC000065259967 569124886 /nfs/dbraw/zinc/12/48/86/569124886.db2.gz VWQGMVHERCGQKA-SANMLTNESA-N 0 0 448.567 4.367 50 0 IIAARN O=C(CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O)Nc1cccc(F)c1 ZINC000036621518 569126170 /nfs/dbraw/zinc/12/61/70/569126170.db2.gz MRZBXIYJZVZQDQ-UHFFFAOYSA-N 0 0 440.425 4.352 50 0 IIAARN CC(C)n1cc2c(n1)n(CCC(=O)Nc1ncc(Cl)cc1Cl)c(=O)cc2C(F)F ZINC000036621462 569126174 /nfs/dbraw/zinc/12/61/74/569126174.db2.gz IKXGQZRXPZEDIS-UHFFFAOYSA-N 0 0 444.269 4.447 50 0 IIAARN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)ccc1O ZINC000524731336 569126450 /nfs/dbraw/zinc/12/64/50/569126450.db2.gz TZDROVPLMGPWDO-OAHLLOKOSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000524735779 569128166 /nfs/dbraw/zinc/12/81/66/569128166.db2.gz YJVUIEHEXBPTQB-FQEVSTJZSA-N 0 0 429.567 4.098 50 0 IIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1 ZINC000065272476 569129060 /nfs/dbraw/zinc/12/90/60/569129060.db2.gz KSZIFPSOWVAKSH-UHFFFAOYSA-N 0 0 432.446 4.466 50 0 IIAARN C[C@@H](Nc1nc2c(cnn2-c2ccc(Cl)cc2)c(N2CCOCC2)n1)c1ccccc1 ZINC000036656941 569130288 /nfs/dbraw/zinc/13/02/88/569130288.db2.gz LVVJGJZUHHVLPQ-MRXNPFEDSA-N 0 0 434.931 4.479 50 0 IIAARN Cc1oc2c(c1C(=O)Nc1ccc(N3CCOCC3)cc1)CN(Cc1ccccc1)CC2 ZINC000065289662 569130634 /nfs/dbraw/zinc/13/06/34/569130634.db2.gz FESJOYCYZIYUSS-UHFFFAOYSA-N 0 0 431.536 4.235 50 0 IIAARN COc1ccc(NC(=O)N2CC[C@H](Cc3nc4cccnc4n3CC(C)C)C2)cc1F ZINC000065292666 569130727 /nfs/dbraw/zinc/13/07/27/569130727.db2.gz CTGAWKROSFLKQL-MRXNPFEDSA-N 0 0 425.508 4.332 50 0 IIAARN O=C(NCc1cc(F)cc(F)c1)c1ccn2c(c1)nnc2-c1ccccc1Br ZINC000065296622 569131575 /nfs/dbraw/zinc/13/15/75/569131575.db2.gz KHRYPRCVXWARDY-UHFFFAOYSA-N 0 0 443.251 4.367 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5ccccc5C)CC4)nc32)cc1 ZINC000065296831 569131628 /nfs/dbraw/zinc/13/16/28/569131628.db2.gz KZSVXADPPYNKEG-UHFFFAOYSA-N 0 0 447.564 4.070 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4cccs4)CC3)sc12 ZINC000065299613 569132167 /nfs/dbraw/zinc/13/21/67/569132167.db2.gz RAUVNBMZHOCGMF-UHFFFAOYSA-N 0 0 441.557 4.390 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(N(C)Cc1ccccc1)n(-c1ccc(C)c(F)c1)c2=O ZINC000065306661 569133377 /nfs/dbraw/zinc/13/33/77/569133377.db2.gz WFRGABUTRLDUBU-UHFFFAOYSA-N 0 0 431.467 4.256 50 0 IIAARN CCN(Cc1ccccc1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cccc(F)c1 ZINC000065306682 569133405 /nfs/dbraw/zinc/13/34/05/569133405.db2.gz OEWNTYWFUCHXPV-UHFFFAOYSA-N 0 0 431.467 4.338 50 0 IIAARN COc1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cc(C)cc(C)c2)cc1Cl ZINC000065311025 569133730 /nfs/dbraw/zinc/13/37/30/569133730.db2.gz WGAGSVSDXFSOOZ-UHFFFAOYSA-N 0 0 426.904 4.213 50 0 IIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3ccc(F)cc3)n(C(C)C)c(=O)c2s1 ZINC000065319445 569134847 /nfs/dbraw/zinc/13/48/47/569134847.db2.gz UIHIOVLZGUPFTH-UHFFFAOYSA-N 0 0 449.577 4.150 50 0 IIAARN O=C(c1ccccc1F)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 ZINC000036708149 569134852 /nfs/dbraw/zinc/13/48/52/569134852.db2.gz GCGHEXGUJJHBFK-UHFFFAOYSA-N 0 0 425.407 4.296 50 0 IIAARN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313974 569135347 /nfs/dbraw/zinc/13/53/47/569135347.db2.gz FVRDFYSPMDXBHJ-JOCHJYFZSA-N 0 0 442.563 4.026 50 0 IIAARN O=C(Nc1cc(F)ccc1F)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1 ZINC000065320227 569136026 /nfs/dbraw/zinc/13/60/26/569136026.db2.gz FBHGXYFASZIHOE-UHFFFAOYSA-N 0 0 448.477 4.048 50 0 IIAARN COC(=O)c1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000065330871 569137063 /nfs/dbraw/zinc/13/70/63/569137063.db2.gz WGEXZJQJKRJNBL-UHFFFAOYSA-N 0 0 434.471 4.352 50 0 biogenic IIAARN CCCNC(=O)Nc1cccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 ZINC000065330120 569137102 /nfs/dbraw/zinc/13/71/02/569137102.db2.gz SRIOCUXLIZPJEA-HNNXBMFYSA-N 0 0 439.903 4.442 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N[C@@H](C)c1ccccn1 ZINC000036806748 569138119 /nfs/dbraw/zinc/13/81/19/569138119.db2.gz IZGQWTIUIYOLJA-INIZCTEOSA-N 0 0 443.507 4.336 50 0 IIAARN COc1ccc([C@@H](CNC(=O)CN2CCc3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000007348673 569139518 /nfs/dbraw/zinc/13/95/18/569139518.db2.gz OVWWYFUVYLFPGO-HSZRJFAPSA-N 0 0 425.532 4.487 50 0 IIAARN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000065550576 569139616 /nfs/dbraw/zinc/13/96/16/569139616.db2.gz LMCJKXDGMCBSHE-MAUKXSAKSA-N 0 0 446.347 4.225 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000065605852 569140164 /nfs/dbraw/zinc/14/01/64/569140164.db2.gz NMXAWQOAKTYRMF-UHFFFAOYSA-N 0 0 429.835 4.329 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(Oc2ccc(Cl)nc2)CC1 ZINC000170606210 569143858 /nfs/dbraw/zinc/14/38/58/569143858.db2.gz ZFWINLKSVDUQJC-CYBMUJFWSA-N 0 0 439.737 4.335 50 0 IIAARN CC(C)COc1ncccc1C(=O)NCc1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000170610167 569145043 /nfs/dbraw/zinc/14/50/43/569145043.db2.gz VMBGFPVHNUWAIS-UHFFFAOYSA-N 0 0 429.480 4.158 50 0 IIAARN CCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000170611389 569145277 /nfs/dbraw/zinc/14/52/77/569145277.db2.gz CYHCJMXIOIFFHQ-UHFFFAOYSA-N 0 0 440.588 4.238 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2)c1=O ZINC000037279673 569145698 /nfs/dbraw/zinc/14/56/98/569145698.db2.gz ITUKCPNMRIGNGF-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN Cc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccsc2)c1 ZINC000170612569 569146034 /nfs/dbraw/zinc/14/60/34/569146034.db2.gz VHLRBWUGTGSVEV-NRFANRHFSA-N 0 0 439.562 4.420 50 0 IIAARN C=Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1 ZINC000170613610 569146270 /nfs/dbraw/zinc/14/62/70/569146270.db2.gz WGZRVKFAZIEUIG-UHFFFAOYSA-N 0 0 427.570 4.213 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(OC[C@H]2CCCO2)c1 ZINC000170621683 569147764 /nfs/dbraw/zinc/14/77/64/569147764.db2.gz AMEQMQYNBNHQSC-RTBURBONSA-N 0 0 447.576 4.416 50 0 IIAARN COc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000170622647 569147980 /nfs/dbraw/zinc/14/79/80/569147980.db2.gz ACEHGULTERZPCN-SFHVURJKSA-N 0 0 444.286 4.372 50 0 IIAARN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000170623197 569148246 /nfs/dbraw/zinc/14/82/46/569148246.db2.gz FTSIRHMWYJAQOH-HSZRJFAPSA-N 0 0 445.556 4.128 50 0 IIAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000170623918 569148341 /nfs/dbraw/zinc/14/83/41/569148341.db2.gz BBLYRPNUZUVZJL-UHFFFAOYSA-N 0 0 429.369 4.211 50 0 IIAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)[nH]n1 ZINC000071009421 569149246 /nfs/dbraw/zinc/14/92/46/569149246.db2.gz FDHORPGYADPRHO-UHFFFAOYSA-N 0 0 434.540 4.227 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nn1-c1ccccc1F ZINC000009870719 569149476 /nfs/dbraw/zinc/14/94/76/569149476.db2.gz XYDFXQCJYVNPPQ-MRXNPFEDSA-N 0 0 448.523 4.310 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2cccs2)c1 ZINC000009883811 569150139 /nfs/dbraw/zinc/15/01/39/569150139.db2.gz LTTQSFRUYWIEBG-UHFFFAOYSA-N 0 0 428.963 4.034 50 0 IIAARN CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC ZINC000009955205 569151170 /nfs/dbraw/zinc/15/11/70/569151170.db2.gz BNWFIENYCQKWIM-OAHLLOKOSA-N 0 0 428.485 4.017 50 0 IIAARN Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000009954701 569151194 /nfs/dbraw/zinc/15/11/94/569151194.db2.gz INBPQVHTSUKBAT-UHFFFAOYSA-N 0 0 446.503 4.450 50 0 IIAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000010059157 569152027 /nfs/dbraw/zinc/15/20/27/569152027.db2.gz NFRPKNBUKPKMLG-AREMUKBSSA-N 0 0 429.472 4.040 50 0 IIAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cccc2ccccc21 ZINC000010220815 569153019 /nfs/dbraw/zinc/15/30/19/569153019.db2.gz AQWVZYDRUSZDHC-UHFFFAOYSA-N 0 0 434.293 4.465 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216320 569153119 /nfs/dbraw/zinc/15/31/19/569153119.db2.gz CKPWOWDLGPXZBO-UHFFFAOYSA-N 0 0 444.915 4.103 50 0 IIAARN Cc1ccc(-c2nc(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cs2)cc1 ZINC000010218217 569153507 /nfs/dbraw/zinc/15/35/07/569153507.db2.gz IWJJCAXPQJZAQK-UHFFFAOYSA-N 0 0 425.598 4.302 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000010219350 569153753 /nfs/dbraw/zinc/15/37/53/569153753.db2.gz KPFVSUBZMUTBPM-UHFFFAOYSA-N 0 0 442.562 4.110 50 0 IIAARN C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013295090 569154950 /nfs/dbraw/zinc/15/49/50/569154950.db2.gz BGUICRCMLNKSOV-CABCVRRESA-N 0 0 433.512 4.413 50 0 IIAARN Cc1ccc(CN2CCN(C(=O)c3cc(-c4ccccn4)nc4ccc(C)cc43)CC2)o1 ZINC000013321649 569155042 /nfs/dbraw/zinc/15/50/42/569155042.db2.gz NHAWQMWNXYDRCQ-UHFFFAOYSA-N 0 0 426.520 4.465 50 0 IIAARN O=C(NCCc1cccc(F)c1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579390 569156038 /nfs/dbraw/zinc/15/60/38/569156038.db2.gz BFBCIIKGQNXMHP-JLPGSUDCSA-N 0 0 427.479 4.437 50 0 IIAARN CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000013578976 569156042 /nfs/dbraw/zinc/15/60/42/569156042.db2.gz OCVMNDPEXZWOHM-UHFFFAOYSA-N 0 0 447.516 4.494 50 0 IIAARN COc1ccccc1CNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579427 569156276 /nfs/dbraw/zinc/15/62/76/569156276.db2.gz AGILOXQYONHQTD-HAHDFKILSA-N 0 0 425.488 4.264 50 0 IIAARN Cc1cccc(NC(=O)Cc2csc(SCC(=O)c3ccc4c(c3)OCO4)n2)c1 ZINC000013654676 569156452 /nfs/dbraw/zinc/15/64/52/569156452.db2.gz SALQJCAYCCMEBS-UHFFFAOYSA-N 0 0 426.519 4.336 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F ZINC000013696264 569156559 /nfs/dbraw/zinc/15/65/59/569156559.db2.gz BOPBCOCTWJETDH-UHFFFAOYSA-N 0 0 446.525 4.290 50 0 IIAARN CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(O)cc1)CC2 ZINC000013778604 569156897 /nfs/dbraw/zinc/15/68/97/569156897.db2.gz UVGWGALWZXUPME-SDXDJHTJSA-N 0 0 430.504 4.452 50 0 IIAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000013801332 569157136 /nfs/dbraw/zinc/15/71/36/569157136.db2.gz XUKBGDSYFJKTLW-UHFFFAOYSA-N 0 0 430.430 4.449 50 0 IIAARN CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 ZINC000014485838 569159044 /nfs/dbraw/zinc/15/90/44/569159044.db2.gz NMHDIQFHGJPBEO-UHFFFAOYSA-N 0 0 432.586 4.025 50 0 IIAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000014426292 569159050 /nfs/dbraw/zinc/15/90/50/569159050.db2.gz XUHHUNXJQQWEGJ-GOSISDBHSA-N 0 0 430.570 4.436 50 0 IIAARN Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)nc2n1 ZINC000014604167 569159469 /nfs/dbraw/zinc/15/94/69/569159469.db2.gz HZMCOBCHROABNZ-UHFFFAOYSA-N 0 0 433.324 4.348 50 0 IIAARN Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCC3)c3ccccc3n2)o1 ZINC000016722540 569160295 /nfs/dbraw/zinc/16/02/95/569160295.db2.gz JYFPKXWHKMQMQL-OAHLLOKOSA-N 0 0 435.480 4.117 50 0 IIAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000016837913 569162727 /nfs/dbraw/zinc/16/27/27/569162727.db2.gz ROEAYOKOPXFQJQ-UHFFFAOYSA-N 0 0 435.281 4.104 50 0 IIAARN Cc1nc2c3ccccc3sc2c(=O)n1CC(=O)Nc1ccc(Br)cc1 ZINC000016841917 569163367 /nfs/dbraw/zinc/16/33/67/569163367.db2.gz AMWAFCOLWFPAPK-UHFFFAOYSA-N 0 0 428.311 4.321 50 0 IIAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1 ZINC000016842336 569163450 /nfs/dbraw/zinc/16/34/50/569163450.db2.gz SPVXLTKXMKQRJN-UHFFFAOYSA-N 0 0 431.883 4.477 50 0 IIAARN COc1cc(OC)cc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)c1 ZINC000016843345 569163562 /nfs/dbraw/zinc/16/35/62/569163562.db2.gz JEIGKMGCAWSJJG-UHFFFAOYSA-N 0 0 442.522 4.152 50 0 IIAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)c(C)c1 ZINC000016847009 569163859 /nfs/dbraw/zinc/16/38/59/569163859.db2.gz UTTDMPYNGOMINL-UHFFFAOYSA-N 0 0 438.461 4.316 50 0 IIAARN COc1ccc2nc(-n3nc(C)cc3NC(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000016851080 569164806 /nfs/dbraw/zinc/16/48/06/569164806.db2.gz NVABZRUKXSAIJS-UHFFFAOYSA-N 0 0 432.461 4.158 50 0 IIAARN O=C([C@H]1CCCN1c1ncnc2sccc21)N1CCc2cc(Br)ccc21 ZINC000089800317 569164939 /nfs/dbraw/zinc/16/49/39/569164939.db2.gz OGPHYTKVMFUKIJ-MRXNPFEDSA-N 0 0 429.343 4.012 50 0 IIAARN O=C(N1CCN(CCCc2nc(-c3cccs3)no2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000089800078 569164943 /nfs/dbraw/zinc/16/49/43/569164943.db2.gz DEJXCBZNQKFTJQ-UHFFFAOYSA-N 0 0 440.613 4.091 50 0 IIAARN O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC(=Cc2ccccc2)CC1 ZINC000089828165 569165287 /nfs/dbraw/zinc/16/52/87/569165287.db2.gz KDQZPWQKJWAKEO-UHFFFAOYSA-N 0 0 429.389 4.151 50 0 IIAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 ZINC000089856521 569166310 /nfs/dbraw/zinc/16/63/10/569166310.db2.gz AKYAQGCDLGCVJI-HNNXBMFYSA-N 0 0 444.004 4.480 50 0 IIAARN CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 ZINC000089856518 569166391 /nfs/dbraw/zinc/16/63/91/569166391.db2.gz AKYAQGCDLGCVJI-OAHLLOKOSA-N 0 0 444.004 4.480 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(-c2ccccc2)cc1 ZINC000089904925 569167242 /nfs/dbraw/zinc/16/72/42/569167242.db2.gz UHALHXDBBUBLKL-QGZVFWFLSA-N 0 0 429.549 4.295 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1=O ZINC000089948068 569168557 /nfs/dbraw/zinc/16/85/57/569168557.db2.gz XUXIOOIKXVEVTF-HHHXNRCGSA-N 0 0 441.531 4.092 50 0 IIAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012018 569170473 /nfs/dbraw/zinc/17/04/73/569170473.db2.gz RYRCBGJZIGGHMG-OAHLLOKOSA-N 0 0 449.561 4.357 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1 ZINC000017026287 569171097 /nfs/dbraw/zinc/17/10/97/569171097.db2.gz ADNWJXBPVZBUTP-UHFFFAOYSA-N 0 0 437.590 4.287 50 0 IIAARN Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000017040931 569171474 /nfs/dbraw/zinc/17/14/74/569171474.db2.gz QTHJVNWOPWCIOT-XMMPIXPASA-N 0 0 443.547 4.017 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000017042028 569171628 /nfs/dbraw/zinc/17/16/28/569171628.db2.gz CQEBCRIQHQPLOI-UHFFFAOYSA-N 0 0 433.455 4.435 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356188 569171764 /nfs/dbraw/zinc/17/17/64/569171764.db2.gz WBSHEQGLDWIHNJ-OAHLLOKOSA-N 0 0 426.879 4.412 50 0 IIAARN O=C(c1ccccc1Cl)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1 ZINC000037356602 569172268 /nfs/dbraw/zinc/17/22/68/569172268.db2.gz ZVPJPUWTJNJZPX-UHFFFAOYSA-N 0 0 430.842 4.163 50 0 IIAARN Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000017144115 569174608 /nfs/dbraw/zinc/17/46/08/569174608.db2.gz DTJPLVOGBINRNG-UHFFFAOYSA-N 0 0 442.372 4.499 50 0 IIAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017155526 569175015 /nfs/dbraw/zinc/17/50/15/569175015.db2.gz AMPQYXBOGCFKJY-UHFFFAOYSA-N 0 0 435.958 4.377 50 0 IIAARN NC(=O)C1CCN(c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)CC1 ZINC000017170660 569175257 /nfs/dbraw/zinc/17/52/57/569175257.db2.gz RAJYVXVAHWMORE-UHFFFAOYSA-N 0 0 440.341 4.278 50 0 IIAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017170036 569175367 /nfs/dbraw/zinc/17/53/67/569175367.db2.gz NWEAVTROQWJPFG-INIZCTEOSA-N 0 0 441.983 4.173 50 0 IIAARN COc1ccc(-c2nc(NCC(C)C)nc3nn(Cc4ccccc4)c(N)c32)cc1OC ZINC000037358020 569175662 /nfs/dbraw/zinc/17/56/62/569175662.db2.gz XXROVOFOKMIHGC-UHFFFAOYSA-N 0 0 432.528 4.209 50 0 IIAARN Cn1c(COc2ccccc2Cl)nnc1SC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170635878 569176848 /nfs/dbraw/zinc/17/68/48/569176848.db2.gz ZMJQBNIYKBDOBP-AWEZNQCLSA-N 0 0 438.981 4.397 50 0 IIAARN CCCCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C1=O ZINC000002093167 569178966 /nfs/dbraw/zinc/17/89/66/569178966.db2.gz RPPFUDXGLJBGKG-OZXSUGGESA-N 0 0 445.563 4.060 50 0 biogenic IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000001088244 569180473 /nfs/dbraw/zinc/18/04/73/569180473.db2.gz CPCWDRIXWNZNED-UHFFFAOYSA-N 0 0 444.560 4.491 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC000002399216 569180775 /nfs/dbraw/zinc/18/07/75/569180775.db2.gz QLCFTQXNHMFWRF-UHFFFAOYSA-N 0 0 429.567 4.096 50 0 IIAARN COc1cccc(-c2nc(NCc3cccnc3)nc3nn(-c4cccc(C)c4)c(N)c32)c1 ZINC000037359992 569181490 /nfs/dbraw/zinc/18/14/90/569181490.db2.gz VZVZXMCOEPKLPU-UHFFFAOYSA-N 0 0 437.507 4.389 50 0 IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@H]1CCCO1)nc2-c1cccc(Cl)c1 ZINC000037361022 569181560 /nfs/dbraw/zinc/18/15/60/569181560.db2.gz QPSQYCQVAPDTPQ-GOSISDBHSA-N 0 0 434.931 4.368 50 0 IIAARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002111550 569181984 /nfs/dbraw/zinc/18/19/84/569181984.db2.gz HIWDCYQWMCCQQA-NFQMXDRXSA-N 0 0 447.531 4.301 50 0 biogenic IIAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014857194 569182927 /nfs/dbraw/zinc/18/29/27/569182927.db2.gz SLIAFGLILHFLSK-UHFFFAOYSA-N 0 0 436.878 4.377 50 0 IIAARN O=C(COC(=O)c1ccccn1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252453059 569184192 /nfs/dbraw/zinc/18/41/92/569184192.db2.gz YYZCEDAIZXNVSR-UHFFFAOYSA-N 0 0 427.382 4.325 50 0 IIAARN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(Br)cc3)cs2)C1 ZINC000002137352 569185029 /nfs/dbraw/zinc/18/50/29/569185029.db2.gz SYSFFDHXAMPRFQ-DZGCQCFKSA-N 0 0 428.355 4.358 50 0 biogenic IIAARN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 ZINC000170642817 569185638 /nfs/dbraw/zinc/18/56/38/569185638.db2.gz YIVAYPKFSACHLR-MRXNPFEDSA-N 0 0 446.408 4.097 50 0 IIAARN CC(C)COc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 ZINC000002533595 569185907 /nfs/dbraw/zinc/18/59/07/569185907.db2.gz QRNJNWMARROPQP-QLPFJNHISA-N 0 0 445.544 4.217 50 0 IIAARN COc1ccc(NC(=O)[C@H]2c3ccc(OC)c(OC)c3C(=O)N2Cc2ccccc2)cc1 ZINC000002145276 569186871 /nfs/dbraw/zinc/18/68/71/569186871.db2.gz AZHYFOVSCMGBAD-JOCHJYFZSA-N 0 0 432.476 4.048 50 0 biogenic IIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002147218 569186966 /nfs/dbraw/zinc/18/69/66/569186966.db2.gz FJAYAUBMMYLJGB-VLIAUNLRSA-N 0 0 429.513 4.435 50 0 biogenic IIAARN COc1ccc(OC)c2c1CN(C(=O)c1c(C)onc1-c1c(F)cccc1Cl)C[C@@H]2O ZINC000170644254 569188629 /nfs/dbraw/zinc/18/86/29/569188629.db2.gz UTHCJZUOUDKADN-HNNXBMFYSA-N 0 0 446.862 4.149 50 0 IIAARN CSCC[C@@H](NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000252523285 569189621 /nfs/dbraw/zinc/18/96/21/569189621.db2.gz CGPPVHQYHADQBL-NHCUHLMSSA-N 0 0 436.581 4.154 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1N1CCOCC1 ZINC000015038187 569189858 /nfs/dbraw/zinc/18/98/58/569189858.db2.gz GPEAKXCRCGZUAD-UHFFFAOYSA-N 0 0 441.881 4.266 50 0 IIAARN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290787 569190016 /nfs/dbraw/zinc/19/00/16/569190016.db2.gz NXOZNHHGYAZRQW-UHFFFAOYSA-N 0 0 430.430 4.280 50 0 IIAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCOc5ccccc54)nc(N)c32)C1 ZINC000027314925 569190247 /nfs/dbraw/zinc/19/02/47/569190247.db2.gz DOIGQTMHSXKXPL-DOMZBBRYSA-N 0 0 440.594 4.130 50 0 IIAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002180105 569190336 /nfs/dbraw/zinc/19/03/36/569190336.db2.gz XBPQRBYKKXGGJA-XSFVSMFZSA-N 0 0 449.484 4.116 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000002183937 569190442 /nfs/dbraw/zinc/19/04/42/569190442.db2.gz NIYDQGMXTMWJLY-UHFFFAOYSA-N 0 0 443.396 4.265 50 0 IIAARN COCCN(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)CCc1ccccc1 ZINC000037381868 569191883 /nfs/dbraw/zinc/19/18/83/569191883.db2.gz CEDJVBMZSBSKDK-UHFFFAOYSA-N 0 0 447.457 4.406 50 0 IIAARN CC(C)c1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@H](C)c3ccccc3)c2=O)cc1 ZINC000037399345 569194375 /nfs/dbraw/zinc/19/43/75/569194375.db2.gz AIMBPHCAIKSJMD-LJQANCHMSA-N 0 0 441.531 4.153 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)C3CCC3)c2)cc1 ZINC000037400887 569194994 /nfs/dbraw/zinc/19/49/94/569194994.db2.gz QRWRKEUYNYHRCI-UHFFFAOYSA-N 0 0 431.554 4.248 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C(=O)NC(C)(C)C)C(C)C)cc2)cc1 ZINC000037400738 569195057 /nfs/dbraw/zinc/19/50/57/569195057.db2.gz VUNBGPNLUPRZLI-UHFFFAOYSA-N 0 0 434.558 4.181 50 0 IIAARN CO[C@@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000170683009 569195487 /nfs/dbraw/zinc/19/54/87/569195487.db2.gz XRALFARBWRBXHX-MJGOQNOKSA-N 0 0 431.521 4.197 50 0 IIAARN Cc1cs/c(=N\C(=O)c2ccco2)n1Cc1ccc(C(=O)N[C@H](C)c2ccccc2)o1 ZINC000037437734 569196214 /nfs/dbraw/zinc/19/62/14/569196214.db2.gz PDTBHLZDYZLHMF-IEQXMEILSA-N 0 0 435.505 4.324 50 0 IIAARN CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)CS[C@@H]1c1ccc(F)cc1F ZINC000037437370 569196284 /nfs/dbraw/zinc/19/62/84/569196284.db2.gz DNYAKOXDHILWRQ-DENIHFKCSA-N 0 0 436.499 4.409 50 0 IIAARN CC(C)NC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441698 569196845 /nfs/dbraw/zinc/19/68/45/569196845.db2.gz ZFVZLDRFVDPYNR-QGZVFWFLSA-N 0 0 429.904 4.182 50 0 IIAARN O=C(C1CCC1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441635 569196869 /nfs/dbraw/zinc/19/68/69/569196869.db2.gz WWVKDZLJHFRTFS-IBGZPJMESA-N 0 0 426.900 4.391 50 0 IIAARN COCCN(Cc1cc(NC(=O)NC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000037441949 569196926 /nfs/dbraw/zinc/19/69/26/569196926.db2.gz XMXOGWNOORZGJN-UHFFFAOYSA-N 0 0 432.590 4.023 50 0 IIAARN 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Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000002461717 569316205 /nfs/dbraw/zinc/31/62/05/569316205.db2.gz ZQAPOLGYKZGBFO-UHFFFAOYSA-N 0 0 444.556 4.361 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3sc(C)nc3C)cc2)cc1 ZINC000079050474 569323344 /nfs/dbraw/zinc/32/33/44/569323344.db2.gz SENKISWZIJYVDV-UHFFFAOYSA-N 0 0 431.539 4.212 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC000079055743 569323660 /nfs/dbraw/zinc/32/36/60/569323660.db2.gz GDONXTUSCBMQBY-UHFFFAOYSA-N 0 0 446.084 4.104 50 0 IIAARN CCOC(=O)c1ccc(N2CCN(Cc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)nc1 ZINC000079059164 569323795 /nfs/dbraw/zinc/32/37/95/569323795.db2.gz AVGJLLYCHPHGDM-UHFFFAOYSA-N 0 0 440.931 4.197 50 0 IIAARN FC(F)(F)COc1ccc(CN2CCO[C@@H](c3cccc(Br)c3)C2)cn1 ZINC000079109631 569325987 /nfs/dbraw/zinc/32/59/87/569325987.db2.gz UUNCLTPEQMXKCT-MRXNPFEDSA-N 0 0 431.252 4.359 50 0 IIAARN COCCNc1ccccc1CNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000079111793 569326125 /nfs/dbraw/zinc/32/61/25/569326125.db2.gz BRVQUHWJFUVFNG-UHFFFAOYSA-N 0 0 449.507 4.374 50 0 IIAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)cc2c1OCCCO2 ZINC000079478130 569330689 /nfs/dbraw/zinc/33/06/89/569330689.db2.gz VPHIEKOJGKCIAZ-UHFFFAOYSA-N 0 0 433.420 4.246 50 0 IIAARN COc1cc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC(F)F ZINC000020004240 569332355 /nfs/dbraw/zinc/33/23/55/569332355.db2.gz UQLLFTQXVBXZEY-UHFFFAOYSA-N 0 0 426.268 4.124 50 0 IIAARN Cc1cccc2sc(NC(=O)CCS(=O)(=O)c3ccc(Br)s3)nc21 ZINC000020137244 569335809 /nfs/dbraw/zinc/33/58/09/569335809.db2.gz ZWFKECSILFWEIA-UHFFFAOYSA-N 0 0 445.385 4.231 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390829290 569354008 /nfs/dbraw/zinc/35/40/08/569354008.db2.gz DHRDUPXKWVZKRQ-IFXJQAMLSA-N 0 0 442.364 4.149 50 0 IIAARN COc1ccc(CNC(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1OC ZINC000390830847 569354235 /nfs/dbraw/zinc/35/42/35/569354235.db2.gz NUXDWFGCIMLOOD-UHFFFAOYSA-N 0 0 440.466 4.074 50 0 IIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCCC3=CCCCC3)C2=O)c1 ZINC000020180848 569355223 /nfs/dbraw/zinc/35/52/23/569355223.db2.gz SFSUANHVAFHDLV-JJIBRWJFSA-N 0 0 432.520 4.468 50 0 IIAARN O=C(CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O)Nc1ccc(F)cc1F ZINC000020212131 569356139 /nfs/dbraw/zinc/35/61/39/569356139.db2.gz MSDRNEIGHKDWML-UHFFFAOYSA-N 0 0 439.849 4.441 50 0 IIAARN CSc1cccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1 ZINC000020212401 569356376 /nfs/dbraw/zinc/35/63/76/569356376.db2.gz WRALOYJORDJNRK-UHFFFAOYSA-N 0 0 436.581 4.152 50 0 IIAARN COc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1OC ZINC000020388131 569363271 /nfs/dbraw/zinc/36/32/71/569363271.db2.gz NCEVQRBAIBIZNC-UHFFFAOYSA-N 0 0 437.492 4.475 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ncc(C(C)(C)C)o2)c1 ZINC000095396815 569363518 /nfs/dbraw/zinc/36/35/18/569363518.db2.gz SMVDOFRMGOFBAG-UHFFFAOYSA-N 0 0 428.938 4.013 50 0 IIAARN Cc1nc([C@@H]2CN([C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CCO2)no1 ZINC000095393691 569363575 /nfs/dbraw/zinc/36/35/75/569363575.db2.gz GFKZSJRLFVFAOW-OALUTQOASA-N 0 0 447.322 4.438 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000095400354 569364072 /nfs/dbraw/zinc/36/40/72/569364072.db2.gz WCTWNRPUZKTYDG-SFHVURJKSA-N 0 0 447.240 4.385 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3c(C)cccc3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417277 569364940 /nfs/dbraw/zinc/36/49/40/569364940.db2.gz BRBGMHLMGGKYIO-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC3CCCCC3)c3cnccn3)cc2)c1C ZINC000095439123 569366579 /nfs/dbraw/zinc/36/65/79/569366579.db2.gz YFFPRZPNWHDCNB-UHFFFAOYSA-N 0 0 447.539 4.375 50 0 IIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000095440747 569366623 /nfs/dbraw/zinc/36/66/23/569366623.db2.gz FHOGSFIXACNCCD-HNNXBMFYSA-N 0 0 437.009 4.318 50 0 IIAARN CCOc1ccc(OCCCC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)cc1 ZINC000095441491 569366752 /nfs/dbraw/zinc/36/67/52/569366752.db2.gz OBRQODBGWSNAMG-WIYYLYMNSA-N 0 0 434.577 4.396 50 0 IIAARN CCCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccncc2)[C@@H]1c1ccccc1OC ZINC000095454200 569368216 /nfs/dbraw/zinc/36/82/16/569368216.db2.gz BCQDIYVVGHJNQV-QPPBQGQZSA-N 0 0 437.584 4.264 50 0 IIAARN Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccccc3C(F)(F)F)c(C)cc1=O)CCCO2 ZINC000095458307 569369186 /nfs/dbraw/zinc/36/91/86/569369186.db2.gz RXPCHHDPNHBMGU-UHFFFAOYSA-N 0 0 443.425 4.297 50 0 IIAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000095460729 569369736 /nfs/dbraw/zinc/36/97/36/569369736.db2.gz GOBUKZCYFCBTNE-GFCCVEGCSA-N 0 0 432.311 4.469 50 0 IIAARN CC(C)n1ccc2c1cccc2NC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000095474090 569372446 /nfs/dbraw/zinc/37/24/46/569372446.db2.gz NHOPHASBLNGCQH-UHFFFAOYSA-N 0 0 433.556 4.075 50 0 IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2F)cc(=O)c1O ZINC000095480943 569374049 /nfs/dbraw/zinc/37/40/49/569374049.db2.gz VBVFISSNBBHXLP-INIZCTEOSA-N 0 0 430.453 4.177 50 0 IIAARN CN(C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1)c1ccc(C(N)=O)cc1 ZINC000095953810 569376654 /nfs/dbraw/zinc/37/66/54/569376654.db2.gz RFDQNHPFPVQBFE-UHFFFAOYSA-N 0 0 444.260 4.151 50 0 IIAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095964603 569377212 /nfs/dbraw/zinc/37/72/12/569377212.db2.gz DRJQSNLQJVPLPP-OAHLLOKOSA-N 0 0 428.535 4.397 50 0 IIAARN C[C@H](O)CN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCCC1 ZINC000095996471 569378718 /nfs/dbraw/zinc/37/87/18/569378718.db2.gz QBKLOOYPIFJLAT-HNNXBMFYSA-N 0 0 429.483 4.089 50 0 IIAARN FC(F)(F)c1cccc([C@@H](Nc2ncnc3c2cnn3-c2ccccc2)c2nc[nH]n2)c1 ZINC000096011400 569379804 /nfs/dbraw/zinc/37/98/04/569379804.db2.gz WKJGOHRKLIKJFV-QGZVFWFLSA-N 0 0 436.401 4.154 50 0 IIAARN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000096012269 569380010 /nfs/dbraw/zinc/38/00/10/569380010.db2.gz NCNMCIWCKKIEBR-UHFFFAOYSA-N 0 0 432.904 4.275 50 0 IIAARN O=C(NCc1ccnc(NC(=O)C2(c3cccc(F)c3)CC2)c1)C1(c2cccc(F)c2)CC1 ZINC000096012005 569380054 /nfs/dbraw/zinc/38/00/54/569380054.db2.gz JYMUMVZKOISSRE-UHFFFAOYSA-N 0 0 447.485 4.378 50 0 IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096116234 569383583 /nfs/dbraw/zinc/38/35/83/569383583.db2.gz CAIIRGHSRSJRAG-QPPBQGQZSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cc1O ZINC000096118062 569384386 /nfs/dbraw/zinc/38/43/86/569384386.db2.gz AJESNGFBRIICRA-GOSISDBHSA-N 0 0 446.326 4.124 50 0 IIAARN CC(C)[C@H](NC(=O)CCCCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000096118694 569384554 /nfs/dbraw/zinc/38/45/54/569384554.db2.gz RCWLUZKVTBOAEZ-QHCPKHFHSA-N 0 0 431.540 4.347 50 0 IIAARN COCCn1c(C[C@H]2CCN(C(=O)Nc3cccc(Cl)c3C)C2)nc2cccnc21 ZINC000096125055 569385622 /nfs/dbraw/zinc/38/56/22/569385622.db2.gz AETCRCDXOXGRFZ-MRXNPFEDSA-N 0 0 427.936 4.136 50 0 IIAARN COc1cc(C2=N/C(=C\c3csc(-c4ccccn4)n3)C(=O)O2)ccc1OC(F)F ZINC000096130183 569385890 /nfs/dbraw/zinc/38/58/90/569385890.db2.gz ZKSDNXWJLNAASP-ZROIWOOFSA-N 0 0 429.404 4.160 50 0 IIAARN CSCC[C@H](NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000096221407 569386885 /nfs/dbraw/zinc/38/68/85/569386885.db2.gz CGPPVHQYHADQBL-SFTDATJTSA-N 0 0 436.581 4.154 50 0 biogenic IIAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CCOCC1 ZINC000096230658 569387510 /nfs/dbraw/zinc/38/75/10/569387510.db2.gz XLMQKCABOFJPED-UHFFFAOYSA-N 0 0 427.451 4.043 50 0 IIAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000096278195 569388986 /nfs/dbraw/zinc/38/89/86/569388986.db2.gz JHSQGNFDLAQWKQ-HSZRJFAPSA-N 0 0 433.596 4.436 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1cccs1 ZINC000096279502 569389406 /nfs/dbraw/zinc/38/94/06/569389406.db2.gz TUMOMUAJCSHKKI-KRWDZBQOSA-N 0 0 427.526 4.399 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096279570 569389410 /nfs/dbraw/zinc/38/94/10/569389410.db2.gz XAWDLBQVJOZWQE-OAQYLSRUSA-N 0 0 427.932 4.141 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1csc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000096280614 569389676 /nfs/dbraw/zinc/38/96/76/569389676.db2.gz ISAXIDNEIBJBEF-UHFFFAOYSA-N 0 0 449.576 4.257 50 0 IIAARN CCn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)c1=O ZINC000096281346 569389905 /nfs/dbraw/zinc/38/99/05/569389905.db2.gz DGFDBBTUXSNEOS-UHFFFAOYSA-N 0 0 449.725 4.377 50 0 IIAARN COCCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)NCC(C)C)cc1 ZINC000096288300 569390432 /nfs/dbraw/zinc/39/04/32/569390432.db2.gz VUWYQTVGSGWJIP-UHFFFAOYSA-N 0 0 438.597 4.193 50 0 IIAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000096289404 569390670 /nfs/dbraw/zinc/39/06/70/569390670.db2.gz SJJFZDDRJWGBEQ-UHFFFAOYSA-N 0 0 444.475 4.413 50 0 IIAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000096289787 569390809 /nfs/dbraw/zinc/39/08/09/569390809.db2.gz AGXRONHUHBSVDR-UHFFFAOYSA-N 0 0 442.459 4.167 50 0 IIAARN COc1ccccc1-n1c(C)nnc1SCc1ccccc1C(=O)NCc1ccco1 ZINC000096290892 569391001 /nfs/dbraw/zinc/39/10/01/569391001.db2.gz JKUJUYXFKUVUBY-UHFFFAOYSA-N 0 0 434.521 4.400 50 0 IIAARN CCCS(=O)(=O)N1CCN(c2nc([C@H](C)CC)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000096317485 569393474 /nfs/dbraw/zinc/39/34/74/569393474.db2.gz JVVVFKSYPYCTEN-LJQANCHMSA-N 0 0 444.645 4.060 50 0 IIAARN O=S(=O)(c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1)N1CCCCC1 ZINC000096322004 569394302 /nfs/dbraw/zinc/39/43/02/569394302.db2.gz KLTOXQIRXFESET-UHFFFAOYSA-N 0 0 448.342 4.341 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NC5CCCC5)n4ccn3n2)cc1 ZINC000096322375 569394577 /nfs/dbraw/zinc/39/45/77/569394577.db2.gz AKJPZUUXNIGBOK-UHFFFAOYSA-N 0 0 446.555 4.214 50 0 IIAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)NC5CCCCCC5)n4ccn3n2)c1 ZINC000096322427 569394628 /nfs/dbraw/zinc/39/46/28/569394628.db2.gz AAVPWBVRBKFRFJ-UHFFFAOYSA-N 0 0 430.556 4.432 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000096324514 569395955 /nfs/dbraw/zinc/39/59/55/569395955.db2.gz PSTIJAOTTBJMHD-UHFFFAOYSA-N 0 0 426.517 4.272 50 0 IIAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(N(C)C)cc2)no1 ZINC000096349631 569397322 /nfs/dbraw/zinc/39/73/22/569397322.db2.gz AWLRYFQKZVHAOO-UHFFFAOYSA-N 0 0 431.540 4.469 50 0 IIAARN O=C(NCc1csc([C@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)n1)C1CCC1 ZINC000096372804 569397965 /nfs/dbraw/zinc/39/79/65/569397965.db2.gz JOMDMASLBPHZSG-AWEZNQCLSA-N 0 0 435.952 4.372 50 0 IIAARN COCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1 ZINC000096405043 569400595 /nfs/dbraw/zinc/40/05/95/569400595.db2.gz LJEYKCUFOHRCHT-MNDPQUGUSA-N 0 0 430.504 4.031 50 0 IIAARN COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000096911468 569402530 /nfs/dbraw/zinc/40/25/30/569402530.db2.gz RLAOQQOYDNRORC-LICLKQGHSA-N 0 0 432.885 4.032 50 0 IIAARN COc1ccc(C(=O)N2CC[C@H](n3c4ncccc4nc3-c3ccc(OC)cc3)C2)cc1 ZINC000097161475 569403276 /nfs/dbraw/zinc/40/32/76/569403276.db2.gz UDDDWNPRJHBBBD-IBGZPJMESA-N 0 0 428.492 4.203 50 0 IIAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000097161443 569403295 /nfs/dbraw/zinc/40/32/95/569403295.db2.gz CGBISDLLPRWFCE-UHFFFAOYSA-N 0 0 447.326 4.355 50 0 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ZINC000028049326 569406748 /nfs/dbraw/zinc/40/67/48/569406748.db2.gz XWULIFRKBXGVMR-UHFFFAOYSA-N 0 0 449.532 4.298 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225822113 569409221 /nfs/dbraw/zinc/40/92/21/569409221.db2.gz FDZXKKHKTCXNBN-UHFFFAOYSA-N 0 0 447.322 4.459 50 0 IIAARN COc1cc(OC)c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000002617788 569410404 /nfs/dbraw/zinc/41/04/04/569410404.db2.gz UYXFSLWNVIHIML-UHFFFAOYSA-N 0 0 435.502 4.248 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000002618929 569410530 /nfs/dbraw/zinc/41/05/30/569410530.db2.gz ZLQMWDILPCZZPP-UHFFFAOYSA-N 0 0 443.532 4.322 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000002625845 569411637 /nfs/dbraw/zinc/41/16/37/569411637.db2.gz BLKFNYLPEVQWFZ-GOSISDBHSA-N 0 0 430.382 4.384 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000002629352 569411950 /nfs/dbraw/zinc/41/19/50/569411950.db2.gz WYSDROCVPCMUKG-UHFFFAOYSA-N 0 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569444393 /nfs/dbraw/zinc/44/43/93/569444393.db2.gz HLLWEGVCNUHTGA-HNNXBMFYSA-N 0 0 429.442 4.476 50 0 IIAARN Cc1ccc(N2CCN(Cc3nnc(-c4cccc(Br)c4)o3)CC2)c(C)c1 ZINC000058024124 569445451 /nfs/dbraw/zinc/44/54/51/569445451.db2.gz HRCLZJDZPFRZFI-UHFFFAOYSA-N 0 0 427.346 4.438 50 0 IIAARN Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003317807 569445786 /nfs/dbraw/zinc/44/57/86/569445786.db2.gz VZNNJWSJCBHYKJ-UHFFFAOYSA-N 0 0 436.537 4.086 50 0 IIAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003318147 569445795 /nfs/dbraw/zinc/44/57/95/569445795.db2.gz GPHDGYJRRFUIGS-HSZRJFAPSA-N 0 0 432.545 4.245 50 0 IIAARN CCN(C(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc21 ZINC000003317912 569445816 /nfs/dbraw/zinc/44/58/16/569445816.db2.gz IGBRWUNVRIYFDX-UHFFFAOYSA-N 0 0 437.492 4.004 50 0 IIAARN Cn1c(SCC(=O)NCc2ccccc2)nc2scc(-c3cccs3)c2c1=O ZINC000003325603 569446179 /nfs/dbraw/zinc/44/61/79/569446179.db2.gz NZKSIIATIMEJFD-UHFFFAOYSA-N 0 0 427.576 4.132 50 0 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/nfs/dbraw/zinc/44/80/86/569448086.db2.gz IXMWHVNMICHBPQ-UHFFFAOYSA-N 0 0 431.492 4.037 50 0 IIAARN Cc1cc(C)c(C(=O)COC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(C)c1 ZINC000003376307 569448623 /nfs/dbraw/zinc/44/86/23/569448623.db2.gz SHXXXFZERJBTCG-DVECYGJZSA-N 0 0 441.524 4.068 50 0 IIAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003374908 569448635 /nfs/dbraw/zinc/44/86/35/569448635.db2.gz LZBVDMCVNNFOLU-UHFFFAOYSA-N 0 0 439.562 4.026 50 0 IIAARN COc1ccccc1CN(C)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S ZINC000003393480 569449339 /nfs/dbraw/zinc/44/93/39/569449339.db2.gz OHNBIZVHVBVLLM-QGZVFWFLSA-N 0 0 430.599 4.420 50 0 IIAARN COc1cccc(C2=N/C(=C\c3c(C)nn(Cc4ccc(F)cc4)c3Cl)C(=O)O2)c1 ZINC000058162539 569449394 /nfs/dbraw/zinc/44/93/94/569449394.db2.gz MJRMVBBYBOSWET-YBFXNURJSA-N 0 0 425.847 4.385 50 0 IIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)N4CCCC[C@H]4C)cc3)ccc12 ZINC000003401309 569449772 /nfs/dbraw/zinc/44/97/72/569449772.db2.gz DKLNKXILAZTNSJ-GOSISDBHSA-N 0 0 449.503 4.238 50 0 IIAARN COc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccc2OC)cc1 ZINC000003402090 569449827 /nfs/dbraw/zinc/44/98/27/569449827.db2.gz GJGZICPBPCOHQY-UHFFFAOYSA-N 0 0 438.553 4.102 50 0 IIAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003408188 569450001 /nfs/dbraw/zinc/45/00/01/569450001.db2.gz QRRLRCLRTDCEGZ-UHFFFAOYSA-N 0 0 426.338 4.483 50 0 IIAARN CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)cc1 ZINC000003435920 569451027 /nfs/dbraw/zinc/45/10/27/569451027.db2.gz WQYDCTNCTRMUNU-UHFFFAOYSA-N 0 0 441.505 4.138 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003435791 569451075 /nfs/dbraw/zinc/45/10/75/569451075.db2.gz QVYKURODVLYQIB-UHFFFAOYSA-N 0 0 441.892 4.287 50 0 IIAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000003438409 569451119 /nfs/dbraw/zinc/45/11/19/569451119.db2.gz YYIWQKIWQCQPLB-UHFFFAOYSA-N 0 0 435.530 4.496 50 0 IIAARN Cc1ccc(-c2csc3[nH]c(CSc4nc5nc(C)cc(C)n5n4)nc(=O)c23)cc1 ZINC000003442053 569451276 /nfs/dbraw/zinc/45/12/76/569451276.db2.gz XQBJCXFOYOIVQC-UHFFFAOYSA-N 0 0 434.550 4.307 50 0 IIAARN Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1cccnc1Cl ZINC000003447669 569451471 /nfs/dbraw/zinc/45/14/71/569451471.db2.gz FKHAKYVREOZYSC-UHFFFAOYSA-N 0 0 442.953 4.441 50 0 IIAARN CCOC(=O)Cc1csc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1 ZINC000003451054 569451658 /nfs/dbraw/zinc/45/16/58/569451658.db2.gz LACXCQFZSWCPFS-UHFFFAOYSA-N 0 0 433.580 4.411 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cnc(-c3ccccc3)s2)c1 ZINC000003451148 569451671 /nfs/dbraw/zinc/45/16/71/569451671.db2.gz VINIDKHMGBHDMS-UHFFFAOYSA-N 0 0 430.551 4.198 50 0 IIAARN O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003453993 569451719 /nfs/dbraw/zinc/45/17/19/569451719.db2.gz VYCXISTZNQEVAH-UHFFFAOYSA-N 0 0 427.507 4.022 50 0 IIAARN Cc1ccc(C)c(-n2c(S[C@H](C)C(N)=O)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000003505118 569452907 /nfs/dbraw/zinc/45/29/07/569452907.db2.gz VESNMPZLZFBRQQ-TZMCWYRMSA-N 0 0 427.595 4.155 50 0 IIAARN Cc1ccc2nc3c(c(C(=O)NCC(=O)Nc4ccc(F)c(F)c4F)c2c1)CCCC3 ZINC000058378279 569453826 /nfs/dbraw/zinc/45/38/26/569453826.db2.gz LKXOMOZSOZWWKE-UHFFFAOYSA-N 0 0 427.426 4.208 50 0 IIAARN S=c1n(CN(CC2CCCCC2)C2CC2)nc(N2CCOCC2)n1Cc1ccccc1 ZINC000058434743 569454771 /nfs/dbraw/zinc/45/47/71/569454771.db2.gz MTVIZLCKHKRQIW-UHFFFAOYSA-N 0 0 441.645 4.301 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000003603720 569454849 /nfs/dbraw/zinc/45/48/49/569454849.db2.gz NNJKKCJHXDFOIV-UHFFFAOYSA-N 0 0 425.348 4.040 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000031417509 569456373 /nfs/dbraw/zinc/45/63/73/569456373.db2.gz OTDPTNBIWVBIHR-UHFFFAOYSA-N 0 0 426.900 4.441 50 0 IIAARN C[C@@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2ccc(Br)cc2)n1 ZINC000031731571 569457150 /nfs/dbraw/zinc/45/71/50/569457150.db2.gz GZIMJTZGPRBKGF-QMMMGPOBSA-N 0 0 442.104 4.004 50 0 IIAARN O=c1c2oc3ccccc3c2ncn1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000031744543 569457196 /nfs/dbraw/zinc/45/71/96/569457196.db2.gz CMVNYPLWZYIVTR-UHFFFAOYSA-N 0 0 429.255 4.065 50 0 IIAARN O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000031788681 569457441 /nfs/dbraw/zinc/45/74/41/569457441.db2.gz WQAFWVGPIMXAJP-UHFFFAOYSA-N 0 0 436.562 4.027 50 0 IIAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)c(OC)c1 ZINC000004064764 569458561 /nfs/dbraw/zinc/45/85/61/569458561.db2.gz MLXKFNWZFUGHFM-GRYUFTJMSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN CCOC(=O)Cn1c2scc(-c3ccccc3)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032094646 569459785 /nfs/dbraw/zinc/45/97/85/569459785.db2.gz UTPOCLJRZAQCKX-UHFFFAOYSA-N 0 0 430.489 4.003 50 0 IIAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000004123004 569459995 /nfs/dbraw/zinc/45/99/95/569459995.db2.gz OGMWREDMUXAVHZ-UHFFFAOYSA-N 0 0 448.504 4.342 50 0 IIAARN CN1c2cccc(Cl)c2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032101173 569460064 /nfs/dbraw/zinc/46/00/64/569460064.db2.gz OJCPKXOPQTYORM-NRFANRHFSA-N 0 0 427.291 4.492 50 0 IIAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)c1 ZINC000032105917 569460234 /nfs/dbraw/zinc/46/02/34/569460234.db2.gz XWNMYJNKPCXYGU-QGZVFWFLSA-N 0 0 426.860 4.392 50 0 IIAARN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032491484 569461852 /nfs/dbraw/zinc/46/18/52/569461852.db2.gz CUCKTARHFUIJGS-OAHLLOKOSA-N 0 0 432.517 4.117 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032491444 569461897 /nfs/dbraw/zinc/46/18/97/569461897.db2.gz BIRZODWUCUIQDV-INIZCTEOSA-N 0 0 432.517 4.172 50 0 IIAARN CC(C)(C)c1cc(NC(=O)CSc2nnnn2C2CCCC2)n(-c2ccccc2)n1 ZINC000008075239 569462166 /nfs/dbraw/zinc/46/21/66/569462166.db2.gz SWTXRSBZMRESLS-UHFFFAOYSA-N 0 0 425.562 4.002 50 0 IIAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008130083 569462268 /nfs/dbraw/zinc/46/22/68/569462268.db2.gz XAXDTTGLUJIFAK-MOPGFXCFSA-N 0 0 427.618 4.135 50 0 IIAARN CSc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 ZINC000038486980 569462829 /nfs/dbraw/zinc/46/28/29/569462829.db2.gz FRASBSQCFRFLDN-UHFFFAOYSA-N 0 0 446.561 4.497 50 0 IIAARN COc1cccc(-n2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)c1 ZINC000038487250 569462881 /nfs/dbraw/zinc/46/28/81/569462881.db2.gz XGQZHQLAZSRRHH-UHFFFAOYSA-N 0 0 439.427 4.445 50 0 IIAARN COc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000038487243 569462911 /nfs/dbraw/zinc/46/29/11/569462911.db2.gz ABJXUMOJIKHHOE-UHFFFAOYSA-N 0 0 445.497 4.438 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4cccs4)no3)ccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000038487749 569462949 /nfs/dbraw/zinc/46/29/49/569462949.db2.gz FNTRFUFXIGKWPU-UHFFFAOYSA-N 0 0 436.880 4.170 50 0 IIAARN CCOc1ccc2nc(NC(=O)C3CCN(Cc4nc5ccccc5[nH]4)CC3)sc2c1 ZINC000038489447 569463090 /nfs/dbraw/zinc/46/30/90/569463090.db2.gz XVRPYZFDXIEFDH-UHFFFAOYSA-N 0 0 435.553 4.422 50 0 IIAARN CCCc1nnsc1C(=O)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534298 569463188 /nfs/dbraw/zinc/46/31/88/569463188.db2.gz RBDGNPPYTMLAME-UHFFFAOYSA-N 0 0 437.491 4.412 50 0 IIAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccn2)N2CCN(C)CC2)c1C ZINC000038546743 569463648 /nfs/dbraw/zinc/46/36/48/569463648.db2.gz IWWBKAVETKMDFR-FQEVSTJZSA-N 0 0 426.611 4.411 50 0 IIAARN CCCCc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 ZINC000067208931 569464766 /nfs/dbraw/zinc/46/47/66/569464766.db2.gz VKQISPOIWXBGJM-UHFFFAOYSA-N 0 0 429.524 4.102 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 ZINC000067236389 569465434 /nfs/dbraw/zinc/46/54/34/569465434.db2.gz IDNLHUKGPOSVJP-UHFFFAOYSA-N 0 0 436.537 4.276 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1 ZINC000067236867 569465451 /nfs/dbraw/zinc/46/54/51/569465451.db2.gz JDRDSOFXWXPPKW-UHFFFAOYSA-N 0 0 434.521 4.070 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067236943 569465508 /nfs/dbraw/zinc/46/55/08/569465508.db2.gz VBIVVQATJDNGEU-UHFFFAOYSA-N 0 0 448.548 4.460 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccccc3Cl)c4=O)n2)cc1 ZINC000038652307 569465759 /nfs/dbraw/zinc/46/57/59/569465759.db2.gz BTCHWTMPHABRKY-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN Cc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(Cl)cc5)no4)ccc3c2=O)cc1 ZINC000038653773 569465781 /nfs/dbraw/zinc/46/57/81/569465781.db2.gz LMFSJHLDFIMZNC-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(F)cc5)c(=O)n4ccn3n2)cc1 ZINC000067260520 569466345 /nfs/dbraw/zinc/46/63/45/569466345.db2.gz INUKLHOAJJMDIH-UHFFFAOYSA-N 0 0 431.471 4.177 50 0 IIAARN C[C@H](NC(=O)CCn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccc(F)cc1 ZINC000067261669 569466582 /nfs/dbraw/zinc/46/65/82/569466582.db2.gz FDCVLGNVGBIWPT-AWEZNQCLSA-N 0 0 444.304 4.079 50 0 IIAARN Cc1ccc(-n2c(=O)nc3nc(NCc4ccccc4C(F)(F)F)[nH]cc-3c2=O)c(C)c1 ZINC000067263937 569466735 /nfs/dbraw/zinc/46/67/35/569466735.db2.gz BLKIIRHZDOEAPD-UHFFFAOYSA-N 0 0 441.413 4.129 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 ZINC000067292379 569467704 /nfs/dbraw/zinc/46/77/04/569467704.db2.gz QBGOEDPDYPEHQO-YEUWRSSNSA-N 0 0 445.288 4.476 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038726890 569468377 /nfs/dbraw/zinc/46/83/77/569468377.db2.gz NCGFBXWBYAJSEC-SFTDATJTSA-N 0 0 444.934 4.111 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1c(C)cc2nc(SC)n(CC(C)C)c(=O)c21 ZINC000067319987 569468577 /nfs/dbraw/zinc/46/85/77/569468577.db2.gz OUQBXFNHVFDEQX-UHFFFAOYSA-N 0 0 426.586 4.394 50 0 IIAARN CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 ZINC000067322674 569468746 /nfs/dbraw/zinc/46/87/46/569468746.db2.gz NIBKFKGSBUXCOM-UHFFFAOYSA-N 0 0 429.933 4.161 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)c(C)c1 ZINC000067335284 569468865 /nfs/dbraw/zinc/46/88/65/569468865.db2.gz PIFZUNWXGPWPQP-UHFFFAOYSA-N 0 0 425.535 4.447 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 ZINC000038767132 569469012 /nfs/dbraw/zinc/46/90/12/569469012.db2.gz RULDQGURCSCZDC-UHFFFAOYSA-N 0 0 435.448 4.088 50 0 IIAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038856278 569469335 /nfs/dbraw/zinc/46/93/35/569469335.db2.gz CMIHTEPLMYNIMC-IBGZPJMESA-N 0 0 436.961 4.021 50 0 IIAARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl ZINC000008650254 569469683 /nfs/dbraw/zinc/46/96/83/569469683.db2.gz FEUSICDDJQXPHU-UHFFFAOYSA-N 0 0 425.794 4.350 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1 ZINC000008661415 569469785 /nfs/dbraw/zinc/46/97/85/569469785.db2.gz NUBWCDVEOLHSAK-RPWUZVMVSA-N 0 0 428.488 4.179 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000008707324 569470558 /nfs/dbraw/zinc/47/05/58/569470558.db2.gz DRRDXBHFBVZYCT-LJQANCHMSA-N 0 0 440.714 4.443 50 0 IIAARN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3nc(-c4ccc(C)cc4)cs3)C2)cc1 ZINC000008715682 569471039 /nfs/dbraw/zinc/47/10/39/569471039.db2.gz YUKGQEMGJDWCNS-LJQANCHMSA-N 0 0 434.517 4.206 50 0 IIAARN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)Nc1cccc(Cl)c1 ZINC000008719144 569471381 /nfs/dbraw/zinc/47/13/81/569471381.db2.gz DONRQPRCIDWPNH-SJKOYZFVSA-N 0 0 430.917 4.100 50 0 IIAARN COc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)n2C[C@@H]2CCCO2)cc1 ZINC000008719999 569471506 /nfs/dbraw/zinc/47/15/06/569471506.db2.gz RPSNISQIYUYDCN-FQEVSTJZSA-N 0 0 435.553 4.381 50 0 IIAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1OC ZINC000008721986 569471764 /nfs/dbraw/zinc/47/17/64/569471764.db2.gz MZSXIWNEUABPOK-JOCHJYFZSA-N 0 0 435.549 4.178 50 0 IIAARN COc1ccccc1NC(=O)Cc1noc(CSc2nccn2-c2cccc(C)c2C)n1 ZINC000008725201 569472065 /nfs/dbraw/zinc/47/20/65/569472065.db2.gz YKFGYEHVJGUMPG-UHFFFAOYSA-N 0 0 449.536 4.354 50 0 IIAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000008726126 569472225 /nfs/dbraw/zinc/47/22/25/569472225.db2.gz RMBDNQOCJDYADZ-UHFFFAOYSA-N 0 0 433.581 4.083 50 0 IIAARN CCn1c(C)cc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)c1C ZINC000008745930 569473047 /nfs/dbraw/zinc/47/30/47/569473047.db2.gz ILURVJJFTGACTI-UHFFFAOYSA-N 0 0 443.547 4.084 50 0 IIAARN COC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000008749304 569473257 /nfs/dbraw/zinc/47/32/57/569473257.db2.gz XRYDJRJUCZFVPN-HZPDHXFCSA-N 0 0 437.565 4.212 50 0 IIAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2)CCCCC1 ZINC000008751161 569473407 /nfs/dbraw/zinc/47/34/07/569473407.db2.gz NMRZONMLOKKCJG-JOCHJYFZSA-N 0 0 447.579 4.252 50 0 IIAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC ZINC000008751978 569473484 /nfs/dbraw/zinc/47/34/84/569473484.db2.gz IVLNPEHOQBVOIN-UHFFFAOYSA-N 0 0 449.503 4.383 50 0 biogenic IIAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000008756579 569474046 /nfs/dbraw/zinc/47/40/46/569474046.db2.gz KSEBPSXGOYXPJW-NRFANRHFSA-N 0 0 435.524 4.065 50 0 IIAARN CC(=O)Oc1ccc(CCNC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1 ZINC000008765414 569474707 /nfs/dbraw/zinc/47/47/07/569474707.db2.gz NRGOBKIYVNXLHA-UHFFFAOYSA-N 0 0 447.487 4.291 50 0 biogenic IIAARN O=C([C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1)N1CCCC1 ZINC000008766866 569474868 /nfs/dbraw/zinc/47/48/68/569474868.db2.gz MYAUFPNCIUSVKD-DENIHFKCSA-N 0 0 449.576 4.031 50 0 IIAARN COC[C@@H](C)n1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000008769443 569475053 /nfs/dbraw/zinc/47/50/53/569475053.db2.gz NUSWWWSITRBUBX-DYESRHJHSA-N 0 0 437.565 4.060 50 0 IIAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)Nc4ccccc4C(N)=O)c(=O)oc12)CCCC3 ZINC000008791497 569476210 /nfs/dbraw/zinc/47/62/10/569476210.db2.gz WKJZEFFECUEQHU-UHFFFAOYSA-N 0 0 444.487 4.315 50 0 biogenic IIAARN COc1cc(/C=C/C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc(OC)c1OC ZINC000008793702 569476382 /nfs/dbraw/zinc/47/63/82/569476382.db2.gz MSOVSNAJNDKJNJ-MDZDMXLPSA-N 0 0 437.521 4.297 50 0 IIAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NCc2ccccc2Cl)s1 ZINC000008823383 569477136 /nfs/dbraw/zinc/47/71/36/569477136.db2.gz JOVQDTPNFVSBCF-UHFFFAOYSA-N 0 0 446.985 4.171 50 0 IIAARN O=C(COC(=O)COc1ccc(C2SCCCS2)cc1)Nc1c(F)cccc1F ZINC000008824877 569477213 /nfs/dbraw/zinc/47/72/13/569477213.db2.gz RNFQFCWORLEJGQ-UHFFFAOYSA-N 0 0 439.505 4.394 50 0 IIAARN O=C(COc1ncnc2ccc(Br)cc21)Nc1cccc(Br)c1 ZINC000008825245 569477362 /nfs/dbraw/zinc/47/73/62/569477362.db2.gz LAUSTZQORKHMNH-UHFFFAOYSA-N 0 0 437.091 4.172 50 0 IIAARN COc1ccc(CCn2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000008834558 569477921 /nfs/dbraw/zinc/47/79/21/569477921.db2.gz MWEHKYHRMJGAGF-UHFFFAOYSA-N 0 0 431.540 4.194 50 0 IIAARN COc1cccc(NC(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1OC ZINC000008839681 569478347 /nfs/dbraw/zinc/47/83/47/569478347.db2.gz XKWLZCBMJFAIQQ-LBPRGKRZSA-N 0 0 440.283 4.158 50 0 IIAARN CC(=O)Nc1ccc(OC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008844336 569478600 /nfs/dbraw/zinc/47/86/00/569478600.db2.gz GWTZQOTVYQIDKH-UHFFFAOYSA-N 0 0 439.471 4.292 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000008849734 569479288 /nfs/dbraw/zinc/47/92/88/569479288.db2.gz ZCFKAVMSZBCGGE-UHFFFAOYSA-N 0 0 448.475 4.126 50 0 IIAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008849894 569479298 /nfs/dbraw/zinc/47/92/98/569479298.db2.gz OZSTXASRYSCLSM-INIZCTEOSA-N 0 0 438.900 4.026 50 0 IIAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(C)cc1 ZINC000008856172 569479706 /nfs/dbraw/zinc/47/97/06/569479706.db2.gz GLNUKVCQRLGURV-FQEVSTJZSA-N 0 0 427.522 4.130 50 0 IIAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000008862150 569480115 /nfs/dbraw/zinc/48/01/15/569480115.db2.gz UVHJVMSBCKVKJD-QFIPXVFZSA-N 0 0 441.409 4.264 50 0 IIAARN Cc1cc(=O)c(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1ccccc1C(F)(F)F ZINC000008862212 569480173 /nfs/dbraw/zinc/48/01/73/569480173.db2.gz WYPDAEDMLSIGNK-UHFFFAOYSA-N 0 0 440.425 4.014 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc(OC)c(C)c4oc3=O)c2c1 ZINC000008879003 569481323 /nfs/dbraw/zinc/48/13/23/569481323.db2.gz DIHBWXANXLJQSI-UHFFFAOYSA-N 0 0 448.519 4.200 50 0 biogenic IIAARN COc1cc(CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c(OC)cc1Br ZINC000008880067 569481403 /nfs/dbraw/zinc/48/14/03/569481403.db2.gz JRXTYAFLIBMVBV-CYBMUJFWSA-N 0 0 433.302 4.132 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(-c3ccccc3)cc2)C1=O ZINC000039964462 569482111 /nfs/dbraw/zinc/48/21/11/569482111.db2.gz RMNXAZQULJBIIA-SANMLTNESA-N 0 0 428.488 4.254 50 0 IIAARN C[C@@H](NC(=O)[C@H](C)Sc1nnnn1Cc1cccs1)c1ccc(Cl)cc1Cl ZINC000040002671 569482470 /nfs/dbraw/zinc/48/24/70/569482470.db2.gz UYXRSFSWFWGVJB-MNOVXSKESA-N 0 0 442.397 4.448 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCC(OCc4ccccc4)CC3)c(=O)oc2c1 ZINC000040017872 569482603 /nfs/dbraw/zinc/48/26/03/569482603.db2.gz LMDMYXMYKNAVPL-UHFFFAOYSA-N 0 0 435.520 4.250 50 0 IIAARN Cc1c(Cl)c(CN2CCC(NS(=O)(=O)c3cccs3)CC2)nc2ccccc12 ZINC000040024257 569482740 /nfs/dbraw/zinc/48/27/40/569482740.db2.gz IYSPDHFQWACHDD-UHFFFAOYSA-N 0 0 436.002 4.201 50 0 IIAARN O=C(CCSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc(N2CCCC2=O)cc1 ZINC000040024918 569482821 /nfs/dbraw/zinc/48/28/21/569482821.db2.gz CRVXDLXFEXOHPK-UHFFFAOYSA-N 0 0 447.520 4.466 50 0 IIAARN COc1cccc(CNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CC(C)C)c1 ZINC000008884136 569483110 /nfs/dbraw/zinc/48/31/10/569483110.db2.gz QINISLKEHYCSDN-UHFFFAOYSA-N 0 0 445.972 4.123 50 0 IIAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC000008893496 569483579 /nfs/dbraw/zinc/48/35/79/569483579.db2.gz AHQFKIIDZUQXCT-HOCLYGCPSA-N 0 0 434.993 4.489 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008895512 569483803 /nfs/dbraw/zinc/48/38/03/569483803.db2.gz DMFGBCJBXKVJSP-UHFFFAOYSA-N 0 0 428.794 4.201 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008896607 569483918 /nfs/dbraw/zinc/48/39/18/569483918.db2.gz SBOSUBIFPDMRHJ-HNNXBMFYSA-N 0 0 437.506 4.256 50 0 IIAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1F ZINC000008901715 569484314 /nfs/dbraw/zinc/48/43/14/569484314.db2.gz VXPIVEMCBLGUCY-IBGZPJMESA-N 0 0 426.579 4.182 50 0 IIAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1Cl ZINC000008901664 569484347 /nfs/dbraw/zinc/48/43/47/569484347.db2.gz YTJWKRNHPQKVKX-SFHVURJKSA-N 0 0 429.007 4.306 50 0 IIAARN COc1ccc2cc(C(=O)OCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)[nH]c2c1 ZINC000040057467 569484582 /nfs/dbraw/zinc/48/45/82/569484582.db2.gz IRNOQLKDYMJBMS-UHFFFAOYSA-N 0 0 430.464 4.035 50 0 IIAARN C[C@]12C(=O)N(c3ccc(C(=O)NC4CCCC4)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008917912 569486140 /nfs/dbraw/zinc/48/61/40/569486140.db2.gz HXLDEOXBWOAUCV-SANMLTNESA-N 0 0 442.519 4.080 50 0 biogenic IIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(Br)cc2)C(=O)[C@]31C ZINC000008918163 569486197 /nfs/dbraw/zinc/48/61/97/569486197.db2.gz YBBXBELYOGRZFH-NRFANRHFSA-N 0 0 440.297 4.179 50 0 biogenic IIAARN COc1cc(C(=O)N[C@H](C(=O)N[C@H](C)c2cc(C)sc2C)C(C)C)cc(OC)c1OC ZINC000040074243 569486222 /nfs/dbraw/zinc/48/62/22/569486222.db2.gz DAWUKJIRDWOLDR-VLIAUNLRSA-N 0 0 448.585 4.023 50 0 IIAARN CCOc1ccc([C@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2ccccc2)cc1 ZINC000040089210 569487025 /nfs/dbraw/zinc/48/70/25/569487025.db2.gz NNDBVRGJHBSHFY-RUZDIDTESA-N 0 0 425.488 4.151 50 0 IIAARN CSc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000008924990 569487196 /nfs/dbraw/zinc/48/71/96/569487196.db2.gz IBMNFFGEQDDMJC-UHFFFAOYSA-N 0 0 449.370 4.197 50 0 IIAARN COc1ccc(OC)c(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932768 569487667 /nfs/dbraw/zinc/48/76/67/569487667.db2.gz NVVLLSNWGPMXBO-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Cl)c2Cl)c1 ZINC000008937698 569488147 /nfs/dbraw/zinc/48/81/47/569488147.db2.gz MSDWFYKLUIRMGR-SFHVURJKSA-N 0 0 436.295 4.277 50 0 IIAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000040108368 569488581 /nfs/dbraw/zinc/48/85/81/569488581.db2.gz BJKCIMBBYVLJOJ-UHFFFAOYSA-N 0 0 435.933 4.262 50 0 IIAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008943658 569488783 /nfs/dbraw/zinc/48/87/83/569488783.db2.gz AKYPADYZAMZNBW-UHFFFAOYSA-N 0 0 429.851 4.377 50 0 IIAARN COc1cc([C@@H](C)NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC ZINC000040111837 569488843 /nfs/dbraw/zinc/48/88/43/569488843.db2.gz XNDGVGRUGCIGOG-CYBMUJFWSA-N 0 0 429.904 4.351 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000008955195 569490113 /nfs/dbraw/zinc/49/01/13/569490113.db2.gz MXGCHMFIWUOLJJ-UHFFFAOYSA-N 0 0 438.940 4.107 50 0 IIAARN COc1cccc(-c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c3nc(C)sc32)c1 ZINC000008955954 569490173 /nfs/dbraw/zinc/49/01/73/569490173.db2.gz MEJJXEGIKZUDBH-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1OC ZINC000008959100 569490311 /nfs/dbraw/zinc/49/03/11/569490311.db2.gz BHUOPZWIIILHRR-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2noc(C)n2)cc1OC ZINC000040134298 569490504 /nfs/dbraw/zinc/49/05/04/569490504.db2.gz YCABHJUQJMTGRW-CQSZACIVSA-N 0 0 427.526 4.487 50 0 IIAARN COc1cc(C)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC ZINC000040134333 569490515 /nfs/dbraw/zinc/49/05/15/569490515.db2.gz LNHNGFQUYYLGDC-HNNXBMFYSA-N 0 0 425.504 4.374 50 0 IIAARN COc1ccc(-c2nc(C(=O)OCc3ccc(OCc4nccn4C)cc3)cs2)cc1 ZINC000040134862 569490543 /nfs/dbraw/zinc/49/05/43/569490543.db2.gz FSKRBJNCNRMFRL-UHFFFAOYSA-N 0 0 435.505 4.488 50 0 IIAARN O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000040138965 569490774 /nfs/dbraw/zinc/49/07/74/569490774.db2.gz RZQVJUMYBOZJPB-CTNGQTDRSA-N 0 0 446.482 4.056 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1OC ZINC000008965182 569491319 /nfs/dbraw/zinc/49/13/19/569491319.db2.gz ONRLHOXEUDNRJQ-QGZVFWFLSA-N 0 0 446.507 4.021 50 0 IIAARN C[C@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008965740 569491536 /nfs/dbraw/zinc/49/15/36/569491536.db2.gz QFTDKRUQEGTDBC-IBGZPJMESA-N 0 0 440.503 4.272 50 0 IIAARN C[C@@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008965741 569491573 /nfs/dbraw/zinc/49/15/73/569491573.db2.gz QFTDKRUQEGTDBC-LJQANCHMSA-N 0 0 440.503 4.272 50 0 IIAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000008966316 569491743 /nfs/dbraw/zinc/49/17/43/569491743.db2.gz UCLNLXGNXIAMMY-YTEVENLXSA-N 0 0 446.334 4.276 50 0 IIAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000040145681 569492130 /nfs/dbraw/zinc/49/21/30/569492130.db2.gz LWZRPCROMNKBOU-JOCHJYFZSA-N 0 0 436.512 4.427 50 0 IIAARN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146903 569492334 /nfs/dbraw/zinc/49/23/34/569492334.db2.gz WUTQVQAYZPSBJV-SZNDQCEHSA-N 0 0 445.922 4.234 50 0 IIAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 ZINC000040146867 569492385 /nfs/dbraw/zinc/49/23/85/569492385.db2.gz SVWAENSAAOCUES-IBGZPJMESA-N 0 0 443.551 4.488 50 0 IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC000008977187 569492916 /nfs/dbraw/zinc/49/29/16/569492916.db2.gz FPZVNASXHMZHFV-UHFFFAOYSA-N 0 0 436.533 4.158 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2C1 ZINC000008977531 569492987 /nfs/dbraw/zinc/49/29/87/569492987.db2.gz NZMYBKKBZFRUTR-UHFFFAOYSA-N 0 0 440.952 4.480 50 0 IIAARN Cn1c2ccccc2c2cc(S(=O)(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc21 ZINC000040152944 569493556 /nfs/dbraw/zinc/49/35/56/569493556.db2.gz LOMAGUIEYVAOET-UHFFFAOYSA-N 0 0 433.533 4.159 50 0 IIAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)c1 ZINC000040156155 569494124 /nfs/dbraw/zinc/49/41/24/569494124.db2.gz CVTBFCZKYDOWRK-FOIQADDNSA-N 0 0 428.558 4.232 50 0 IIAARN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1OC ZINC000040156915 569494196 /nfs/dbraw/zinc/49/41/96/569494196.db2.gz YEYRMMNEHKGXEJ-MRXNPFEDSA-N 0 0 433.346 4.317 50 0 IIAARN Cc1cccc(OCCNC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000040157219 569494231 /nfs/dbraw/zinc/49/42/31/569494231.db2.gz PPLBFWKAIDRPIS-HSZRJFAPSA-N 0 0 430.508 4.239 50 0 IIAARN Cc1cccc(OCCNC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 ZINC000008986106 569494822 /nfs/dbraw/zinc/49/48/22/569494822.db2.gz NUZGEDAURNPIOP-UHFFFAOYSA-N 0 0 426.517 4.015 50 0 IIAARN CC(=O)N1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000008987605 569494920 /nfs/dbraw/zinc/49/49/20/569494920.db2.gz SVUKJZRQVXCDMR-UHFFFAOYSA-N 0 0 433.430 4.155 50 0 IIAARN CC(C)COc1cccc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 ZINC000040161915 569495209 /nfs/dbraw/zinc/49/52/09/569495209.db2.gz BDCLRJQIIIPRNW-HXUWFJFHSA-N 0 0 436.464 4.442 50 0 IIAARN CC(C)c1nc2sc3c(ncn(CC(=O)Nc4nccs4)c3=O)c2c2c1CCCC2 ZINC000008991055 569495259 /nfs/dbraw/zinc/49/52/59/569495259.db2.gz OANSUFQXAVRXLH-UHFFFAOYSA-N 0 0 439.566 4.104 50 0 IIAARN C[C@@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000009028178 569497041 /nfs/dbraw/zinc/49/70/41/569497041.db2.gz IOGUKUTVMLSRDN-CQSZACIVSA-N 0 0 446.425 4.425 50 0 IIAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl ZINC000040266825 569497241 /nfs/dbraw/zinc/49/72/41/569497241.db2.gz GYZHSRZZRYPDCV-IBGZPJMESA-N 0 0 439.343 4.107 50 0 IIAARN Cc1nc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)sc1C ZINC000040288208 569498442 /nfs/dbraw/zinc/49/84/42/569498442.db2.gz RFXCKHXBMCDPLE-WOJBJXKFSA-N 0 0 435.505 4.038 50 0 IIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000009051149 569498644 /nfs/dbraw/zinc/49/86/44/569498644.db2.gz QPHSRQWRHGVVIE-LBPRGKRZSA-N 0 0 425.901 4.294 50 0 IIAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)ccc3c2=O)cc1 ZINC000009053554 569498806 /nfs/dbraw/zinc/49/88/06/569498806.db2.gz BOKZUVUCXSBBEK-UHFFFAOYSA-N 0 0 445.427 4.215 50 0 biogenic IIAARN O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)N1CCCC1=O ZINC000009056129 569498980 /nfs/dbraw/zinc/49/89/80/569498980.db2.gz YGWRCWLBCPXKQP-UHFFFAOYSA-N 0 0 426.523 4.315 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000245228544 569499960 /nfs/dbraw/zinc/49/99/60/569499960.db2.gz KDQSRVCVKANYRI-MWRLGJARSA-N 0 0 426.582 4.370 50 0 IIAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(SC)c2)C1=O ZINC000009068412 569500033 /nfs/dbraw/zinc/50/00/33/569500033.db2.gz QTNDJPFPIVLGOC-QFIPXVFZSA-N 0 0 429.517 4.124 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009072195 569500143 /nfs/dbraw/zinc/50/01/43/569500143.db2.gz OREFCUBYMOKBGQ-MRXNPFEDSA-N 0 0 435.505 4.225 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009072191 569500199 /nfs/dbraw/zinc/50/01/99/569500199.db2.gz OREFCUBYMOKBGQ-INIZCTEOSA-N 0 0 435.505 4.225 50 0 IIAARN Cc1nn(-c2ccc(C(=O)Nc3ccccc3S(=O)(=O)C(F)F)cc2)c(C)c1Cl ZINC000069312141 569500567 /nfs/dbraw/zinc/50/05/67/569500567.db2.gz XKMJRMJALNWGBA-UHFFFAOYSA-N 0 0 439.871 4.391 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCc2ccc(C)cc2)cc1 ZINC000009100832 569501568 /nfs/dbraw/zinc/50/15/68/569501568.db2.gz WAARJRHCRRAEEP-LJQANCHMSA-N 0 0 435.549 4.449 50 0 IIAARN CCCCC(=O)N[C@@](Nc1nc2c(cc(C)cc2C)s1)(C(=O)OCC)C(F)(F)F ZINC000009111579 569502323 /nfs/dbraw/zinc/50/23/23/569502323.db2.gz CBNAEDYPLDQSSM-GOSISDBHSA-N 0 0 431.480 4.453 50 0 IIAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1 ZINC000009115753 569502797 /nfs/dbraw/zinc/50/27/97/569502797.db2.gz ROWZJENVRAGJQI-MHZLTWQESA-N 0 0 448.338 4.289 50 0 IIAARN O=C(NCc1ccccc1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117560 569503144 /nfs/dbraw/zinc/50/31/44/569503144.db2.gz ONXQJPZQJPTFFF-GOSISDBHSA-N 0 0 435.528 4.130 50 0 IIAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5)C4)sc3n2)cc1 ZINC000009117494 569503171 /nfs/dbraw/zinc/50/31/71/569503171.db2.gz GTRCATPBVAUGAU-HXUWFJFHSA-N 0 0 431.565 4.299 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c1 ZINC000009126938 569505083 /nfs/dbraw/zinc/50/50/83/569505083.db2.gz BBOBSCCLLVMUGK-INIZCTEOSA-N 0 0 431.564 4.173 50 0 IIAARN COc1ccc(CNC(=S)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000009127624 569505208 /nfs/dbraw/zinc/50/52/08/569505208.db2.gz ZIYLTCDGGUOFNY-UHFFFAOYSA-N 0 0 428.945 4.438 50 0 IIAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 ZINC000009127602 569505238 /nfs/dbraw/zinc/50/52/38/569505238.db2.gz NSODOAOVURTEHP-UHFFFAOYSA-N 0 0 449.580 4.187 50 0 IIAARN COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000009127741 569505269 /nfs/dbraw/zinc/50/52/69/569505269.db2.gz OBLOZVOSURWMJT-UHFFFAOYSA-N 0 0 443.352 4.429 50 0 IIAARN O=c1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)nc2sccn21 ZINC000009128532 569505422 /nfs/dbraw/zinc/50/54/22/569505422.db2.gz FCQYUJDXPLCHAD-UHFFFAOYSA-N 0 0 445.957 4.207 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCCC2)cc1 ZINC000009128496 569505458 /nfs/dbraw/zinc/50/54/58/569505458.db2.gz DFGIGEPRVQXWBO-VWLOTQADSA-N 0 0 428.532 4.493 50 0 IIAARN CC(=O)N[C@H](CC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000009129220 569505712 /nfs/dbraw/zinc/50/57/12/569505712.db2.gz XIRKEXJCUXZMRW-MRXNPFEDSA-N 0 0 443.714 4.396 50 0 IIAARN O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)N[C@@H]1CCCc2ccccc21 ZINC000009129521 569505801 /nfs/dbraw/zinc/50/58/01/569505801.db2.gz PZPMXNSWNOYTSG-RPWUZVMVSA-N 0 0 445.563 4.130 50 0 IIAARN O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000069410086 569506213 /nfs/dbraw/zinc/50/62/13/569506213.db2.gz UDPHBPWSQAKHIH-UHFFFAOYSA-N 0 0 425.417 4.409 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCc1nnc(C(=O)Nc2cccc(C)c2)s1 ZINC000040454349 569506508 /nfs/dbraw/zinc/50/65/08/569506508.db2.gz BHANBGCQXWBMAN-UHFFFAOYSA-N 0 0 430.917 4.332 50 0 IIAARN COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc(OC)c1OC ZINC000040455131 569506536 /nfs/dbraw/zinc/50/65/36/569506536.db2.gz MMEJDCVRFAEYPF-INIZCTEOSA-N 0 0 443.887 4.393 50 0 IIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1 ZINC000040478450 569506769 /nfs/dbraw/zinc/50/67/69/569506769.db2.gz KRRPTRGJBLIUJD-UHFFFAOYSA-N 0 0 441.531 4.282 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000040485100 569506819 /nfs/dbraw/zinc/50/68/19/569506819.db2.gz CVZRHSGEWFEMGT-JOCHJYFZSA-N 0 0 449.511 4.012 50 0 IIAARN COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)cc1 ZINC000009132246 569506926 /nfs/dbraw/zinc/50/69/26/569506926.db2.gz WWAJHNVPGPKJOC-KRWDZBQOSA-N 0 0 435.505 4.159 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(s3)CCC4)c2)cc1 ZINC000009139333 569507199 /nfs/dbraw/zinc/50/71/99/569507199.db2.gz FPOABFOIQGRQHC-UHFFFAOYSA-N 0 0 444.534 4.004 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000069564570 569507254 /nfs/dbraw/zinc/50/72/54/569507254.db2.gz MDPKUBUSLXTDCL-XMMPIXPASA-N 0 0 432.568 4.211 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)n1CC(C)C)n2C ZINC000009153712 569508145 /nfs/dbraw/zinc/50/81/45/569508145.db2.gz SFMHWKMQLKZQKA-UHFFFAOYSA-N 0 0 429.879 4.101 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1cccc(F)c1)n2C ZINC000009153759 569508173 /nfs/dbraw/zinc/50/81/73/569508173.db2.gz BTTNJZONVGFMEP-UHFFFAOYSA-N 0 0 443.478 4.149 50 0 IIAARN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009156435 569508332 /nfs/dbraw/zinc/50/83/32/569508332.db2.gz OYLROPCLGLDLGP-UHFFFAOYSA-N 0 0 448.972 4.194 50 0 IIAARN CC(=O)c1oc2ccccc2c1NC(=O)CNc1ccc(I)cc1 ZINC000009157455 569508436 /nfs/dbraw/zinc/50/84/36/569508436.db2.gz VHDZXYHODLPJIY-UHFFFAOYSA-N 0 0 434.233 4.291 50 0 IIAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)c(OC)c1)n2CC ZINC000009165127 569508782 /nfs/dbraw/zinc/50/87/82/569508782.db2.gz LZUQUDJRYHQPHQ-UHFFFAOYSA-N 0 0 428.510 4.225 50 0 IIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1OCC ZINC000009168566 569509176 /nfs/dbraw/zinc/50/91/76/569509176.db2.gz LBJKTCIMMWDLHU-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1C ZINC000009169848 569509250 /nfs/dbraw/zinc/50/92/50/569509250.db2.gz SSCRATNXIPMRIJ-UHFFFAOYSA-N 0 0 430.570 4.411 50 0 IIAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1 ZINC000009170842 569509418 /nfs/dbraw/zinc/50/94/18/569509418.db2.gz SKIIRYZBKAEALD-UHFFFAOYSA-N 0 0 432.542 4.048 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000009193036 569510836 /nfs/dbraw/zinc/51/08/36/569510836.db2.gz PCJOOOHVFNXOIR-JOCHJYFZSA-N 0 0 428.444 4.263 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009197265 569511054 /nfs/dbraw/zinc/51/10/54/569511054.db2.gz UBEPUDWBQSIJDC-RTBURBONSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)Cn1c3ccccc3nc1-c1cscn1)O[C@@H](C)C2 ZINC000009198629 569511089 /nfs/dbraw/zinc/51/10/89/569511089.db2.gz HKVHFEUKQXDJSH-HNNXBMFYSA-N 0 0 448.548 4.198 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Cc4ccc(F)cc4)cc3C2)cc1 ZINC000009203538 569511279 /nfs/dbraw/zinc/51/12/79/569511279.db2.gz FAAUKEYPLINHQK-UHFFFAOYSA-N 0 0 438.524 4.062 50 0 IIAARN CCOCCCNC(=O)c1ccc(-c2nc(C[S@](=O)c3ccccc3)c(C)o2)cc1 ZINC000009212043 569512005 /nfs/dbraw/zinc/51/20/05/569512005.db2.gz ULIXJRDAWILRCL-SSEXGKCCSA-N 0 0 426.538 4.114 50 0 IIAARN NC(=O)N[C@H](CC(=O)OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000009216659 569512173 /nfs/dbraw/zinc/51/21/73/569512173.db2.gz YUQXMNPDBFUWAF-QGZVFWFLSA-N 0 0 433.892 4.446 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009222775 569512820 /nfs/dbraw/zinc/51/28/20/569512820.db2.gz OSWYCLFYPIAKBN-UHFFFAOYSA-N 0 0 449.536 4.029 50 0 IIAARN CCOc1ccc(CCNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1 ZINC000009228914 569513672 /nfs/dbraw/zinc/51/36/72/569513672.db2.gz HQKROOYOQJCOCJ-UHFFFAOYSA-N 0 0 445.519 4.258 50 0 IIAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000009233548 569513883 /nfs/dbraw/zinc/51/38/83/569513883.db2.gz MOPYOCKHMOSORX-CAOOACKPSA-N 0 0 432.885 4.038 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009238225 569514275 /nfs/dbraw/zinc/51/42/75/569514275.db2.gz GWHJHCBGADFOKO-NHCUHLMSSA-N 0 0 443.532 4.352 50 0 IIAARN CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)cc1 ZINC000009238561 569514364 /nfs/dbraw/zinc/51/43/64/569514364.db2.gz BANSVLASBLNRGZ-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1CC)S2 ZINC000009239081 569514462 /nfs/dbraw/zinc/51/44/62/569514462.db2.gz SPMVQDOQEWBIIF-LEWJYISDSA-N 0 0 437.569 4.199 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 ZINC000009239292 569514524 /nfs/dbraw/zinc/51/45/24/569514524.db2.gz SGCGYWRYIZPEIN-SFTDATJTSA-N 0 0 437.569 4.254 50 0 IIAARN Cc1nn(-c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(F)cc3)cc2)c(C)c1Cl ZINC000009248875 569515481 /nfs/dbraw/zinc/51/54/81/569515481.db2.gz DGPYOKWMQRTMSE-UHFFFAOYSA-N 0 0 429.879 4.097 50 0 IIAARN CCN1c2cc(NC(=O)N3CCC4(CC3)OCCO4)ccc2Sc2ccccc2C1=O ZINC000009251522 569515922 /nfs/dbraw/zinc/51/59/22/569515922.db2.gz QNOJPHSMYKIINF-UHFFFAOYSA-N 0 0 439.537 4.189 50 0 biogenic IIAARN Cc1cc(C)cc(N([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 ZINC000009252341 569515966 /nfs/dbraw/zinc/51/59/66/569515966.db2.gz VOUGUVBWVZIBGU-FQEVSTJZSA-N 0 0 436.577 4.364 50 0 IIAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2N)cc1 ZINC000009254795 569516448 /nfs/dbraw/zinc/51/64/48/569516448.db2.gz LHOAUXXVLGXRBM-INIZCTEOSA-N 0 0 445.548 4.454 50 0 IIAARN CCOc1ccc(-n2c(SC[C@H]3CNC(=O)O3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000009255115 569516495 /nfs/dbraw/zinc/51/64/95/569516495.db2.gz VLBLDMDIARNSGO-QGZVFWFLSA-N 0 0 430.917 4.187 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)n1-c1nccs1 ZINC000009255251 569516532 /nfs/dbraw/zinc/51/65/32/569516532.db2.gz ZUDMGGHLZXVDSP-UHFFFAOYSA-N 0 0 434.304 4.336 50 0 IIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000009257437 569516805 /nfs/dbraw/zinc/51/68/05/569516805.db2.gz JVEYULDARGZVJG-UHFFFAOYSA-N 0 0 446.583 4.176 50 0 IIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCCC1 ZINC000009265311 569517385 /nfs/dbraw/zinc/51/73/85/569517385.db2.gz VNCLAUGRLSCQRI-UHFFFAOYSA-N 0 0 449.507 4.143 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000009268343 569517601 /nfs/dbraw/zinc/51/76/01/569517601.db2.gz XNQDZQMVPBSFPQ-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nncn1C ZINC000009283378 569518853 /nfs/dbraw/zinc/51/88/53/569518853.db2.gz DWWPKSIIJUKRAG-UHFFFAOYSA-N 0 0 436.946 4.105 50 0 IIAARN Cc1csc(NC(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000009284074 569519014 /nfs/dbraw/zinc/51/90/14/569519014.db2.gz UOGZFJPHEMBFBY-UHFFFAOYSA-N 0 0 434.593 4.350 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)c1 ZINC000009287707 569519309 /nfs/dbraw/zinc/51/93/09/569519309.db2.gz DTNUCQKJIUGBKT-UHFFFAOYSA-N 0 0 430.460 4.374 50 0 IIAARN COc1ccc(/C=C/C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(OC)cc2)cc1 ZINC000009288802 569519460 /nfs/dbraw/zinc/51/94/60/569519460.db2.gz YMIMTFOESKTNEL-NTEUORMPSA-N 0 0 441.491 4.323 50 0 IIAARN Cc1nn([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)c(=O)c2c3ccccc3sc21 ZINC000009288892 569519483 /nfs/dbraw/zinc/51/94/83/569519483.db2.gz BVVCPBCLQJPHHS-OAHLLOKOSA-N 0 0 430.533 4.321 50 0 IIAARN COc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000009289194 569519555 /nfs/dbraw/zinc/51/95/55/569519555.db2.gz FKJGEKAHRZJRRY-SANMLTNESA-N 0 0 439.515 4.049 50 0 IIAARN CC[C@H](C(=O)NCc1cc(Br)ccc1OC)n1sc2ccccc2c1=O ZINC000009289813 569519617 /nfs/dbraw/zinc/51/96/17/569519617.db2.gz MOPPYZOPFBBXIK-OAHLLOKOSA-N 0 0 435.343 4.102 50 0 IIAARN COC(=O)COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000009295845 569520434 /nfs/dbraw/zinc/52/04/34/569520434.db2.gz JLDQXGGZFUEEST-MFOYZWKCSA-N 0 0 433.869 4.141 50 0 IIAARN CSC1=NC2(CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)N=C1c1ccccc1 ZINC000009300099 569520580 /nfs/dbraw/zinc/52/05/80/569520580.db2.gz YJWHZMLXHUKBRU-UHFFFAOYSA-N 0 0 441.622 4.357 50 0 IIAARN CCSC1=NC2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N=C1c1ccccc1 ZINC000009300066 569520570 /nfs/dbraw/zinc/52/05/70/569520570.db2.gz RACQWMOUVNGOFB-UHFFFAOYSA-N 0 0 427.595 4.130 50 0 IIAARN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1nc(C)c(C)s1 ZINC000009302468 569520866 /nfs/dbraw/zinc/52/08/66/569520866.db2.gz YLWADJPWCGAYAJ-UHFFFAOYSA-N 0 0 431.587 4.298 50 0 IIAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009314982 569522090 /nfs/dbraw/zinc/52/20/90/569522090.db2.gz ROIBMXQISLAPGU-HSZRJFAPSA-N 0 0 429.472 4.184 50 0 IIAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009335678 569523319 /nfs/dbraw/zinc/52/33/19/569523319.db2.gz LWNVTMOVYFWHGS-SFHVURJKSA-N 0 0 426.900 4.215 50 0 IIAARN CCc1nnc(SCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)[nH]1 ZINC000009336145 569523420 /nfs/dbraw/zinc/52/34/20/569523420.db2.gz KCAFWQPBRPNXEW-UHFFFAOYSA-N 0 0 444.564 4.439 50 0 IIAARN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1OC ZINC000009337372 569523497 /nfs/dbraw/zinc/52/34/97/569523497.db2.gz JJULEDFOVOWPSO-UHFFFAOYSA-N 0 0 438.455 4.421 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](O)c2ccccc2)c1 ZINC000009344553 569523996 /nfs/dbraw/zinc/52/39/96/569523996.db2.gz KAFLBUOCRINANY-NZQKXSOJSA-N 0 0 427.456 4.080 50 0 IIAARN Cn1c(Cn2cccn2)nc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 ZINC000009356284 569525407 /nfs/dbraw/zinc/52/54/07/569525407.db2.gz UOWDZXHCIZNMPR-UHFFFAOYSA-N 0 0 430.295 4.142 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000009369113 569526702 /nfs/dbraw/zinc/52/67/02/569526702.db2.gz AJMCUZQNDRIODE-UHFFFAOYSA-N 0 0 432.502 4.059 50 0 IIAARN Cc1ncc(-c2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3c[nH]c4ccccc43)cc2)o1 ZINC000069981216 569526947 /nfs/dbraw/zinc/52/69/47/569526947.db2.gz CIHBKDRSEDESMK-FQEVSTJZSA-N 0 0 432.505 4.285 50 0 IIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009376108 569527271 /nfs/dbraw/zinc/52/72/71/569527271.db2.gz KZQIFDZKZLVVRI-UHFFFAOYSA-N 0 0 427.426 4.427 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000009378731 569527683 /nfs/dbraw/zinc/52/76/83/569527683.db2.gz MXQVVNKMHMFWGH-UHFFFAOYSA-N 0 0 430.489 4.387 50 0 IIAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000070010295 569528054 /nfs/dbraw/zinc/52/80/54/569528054.db2.gz PPYVKTMHRIYSPP-UHFFFAOYSA-N 0 0 434.471 4.347 50 0 IIAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)C(CC)CC ZINC000009381461 569528135 /nfs/dbraw/zinc/52/81/35/569528135.db2.gz LNVRQWOAQJYRJB-UHFFFAOYSA-N 0 0 431.489 4.138 50 0 IIAARN COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1c[nH]c2ccccc21 ZINC000009382312 569528272 /nfs/dbraw/zinc/52/82/72/569528272.db2.gz ISSUOSGNXULZHB-UHFFFAOYSA-N 0 0 435.553 4.420 50 0 IIAARN Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009390351 569528651 /nfs/dbraw/zinc/52/86/51/569528651.db2.gz BKWJTYUXNPARTG-UHFFFAOYSA-N 0 0 444.487 4.332 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc42)CS(=O)(=O)C3)c(C)c1 ZINC000009391568 569528926 /nfs/dbraw/zinc/52/89/26/569528926.db2.gz BFKVDZCIJBLUPA-UHFFFAOYSA-N 0 0 445.544 4.252 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000009392224 569529105 /nfs/dbraw/zinc/52/91/05/569529105.db2.gz OODBUXVWHVALKB-LJQANCHMSA-N 0 0 443.525 4.250 50 0 IIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)c12 ZINC000070036526 569529373 /nfs/dbraw/zinc/52/93/73/569529373.db2.gz CNNOCTRWDIUUFZ-FQEVSTJZSA-N 0 0 442.523 4.493 50 0 IIAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000009404545 569529700 /nfs/dbraw/zinc/52/97/00/569529700.db2.gz BGEVOGWMFQMCGG-UHFFFAOYSA-N 0 0 427.485 4.454 50 0 IIAARN COc1ccc(-c2noc(N3CCC(C(=O)N(C)c4cccc(Cl)c4)CC3)n2)cc1 ZINC000009405520 569529896 /nfs/dbraw/zinc/52/98/96/569529896.db2.gz NIHXIZFBAIOURL-UHFFFAOYSA-N 0 0 426.904 4.278 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)c1 ZINC000009407824 569530356 /nfs/dbraw/zinc/53/03/56/569530356.db2.gz VEVPUERESLHWAW-UHFFFAOYSA-N 0 0 445.523 4.259 50 0 IIAARN CCCOc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408944 569530762 /nfs/dbraw/zinc/53/07/62/569530762.db2.gz KPUFVFBOXMQRCF-KOSHJBKYSA-N 0 0 433.508 4.295 50 0 IIAARN CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 ZINC000009409204 569530870 /nfs/dbraw/zinc/53/08/70/569530870.db2.gz HKZPXIZYORYQTG-DEOSSOPVSA-N 0 0 435.524 4.279 50 0 IIAARN Cn1c2cn(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000009409450 569531041 /nfs/dbraw/zinc/53/10/41/569531041.db2.gz LWSRGYKQUNGKTR-UHFFFAOYSA-N 0 0 444.716 4.111 50 0 IIAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccncc5)nn4cnc32)cc1OC ZINC000009409790 569531120 /nfs/dbraw/zinc/53/11/20/569531120.db2.gz VMJGXQAZFNUHNI-UHFFFAOYSA-N 0 0 428.496 4.018 50 0 IIAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4c(C)cc(C)cc4C)nn32)cc1 ZINC000009415136 569532096 /nfs/dbraw/zinc/53/20/96/569532096.db2.gz SYWMWXOIVMSPFD-UHFFFAOYSA-N 0 0 433.537 4.456 50 0 IIAARN CCOc1ccc(C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000009415687 569532204 /nfs/dbraw/zinc/53/22/04/569532204.db2.gz YMZRFXFVDVYJJK-GOSISDBHSA-N 0 0 449.956 4.403 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000009415429 569532233 /nfs/dbraw/zinc/53/22/33/569532233.db2.gz XZTUEQUWJPDGAG-IBGZPJMESA-N 0 0 449.532 4.075 50 0 IIAARN Cc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1C ZINC000009429672 569533702 /nfs/dbraw/zinc/53/37/02/569533702.db2.gz VYEZLYNYDLIHHD-IBGZPJMESA-N 0 0 426.314 4.063 50 0 IIAARN COc1cc(Br)cc2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c(=O)oc21 ZINC000009431209 569534073 /nfs/dbraw/zinc/53/40/73/569534073.db2.gz MAMGHZFNDGSDBT-UHFFFAOYSA-N 0 0 443.209 4.010 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000009432686 569534401 /nfs/dbraw/zinc/53/44/01/569534401.db2.gz QWEAIUGQZOZPTI-VQTJNVASSA-N 0 0 426.563 4.053 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1cccs1 ZINC000009432760 569534485 /nfs/dbraw/zinc/53/44/85/569534485.db2.gz XELGTUGCFBJAFP-ZEQRLZLVSA-N 0 0 448.588 4.343 50 0 IIAARN O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009433797 569534636 /nfs/dbraw/zinc/53/46/36/569534636.db2.gz DSJCBVXKQISREP-QIYXJHPLSA-N 0 0 439.512 4.401 50 0 biogenic IIAARN O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 ZINC000009439738 569535162 /nfs/dbraw/zinc/53/51/62/569535162.db2.gz PNQNGPPQMRFYPS-UHFFFAOYSA-N 0 0 440.365 4.031 50 0 IIAARN Cc1ccn2nc(C(=O)Nc3sc4c(c3-c3nc5ccccc5[nH]3)CCCC4)nc2n1 ZINC000009442332 569535464 /nfs/dbraw/zinc/53/54/64/569535464.db2.gz NVGZCDOARMFYTF-UHFFFAOYSA-N 0 0 429.509 4.169 50 0 IIAARN CCc1nnc(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)c2cc3occc3n21 ZINC000009442995 569535654 /nfs/dbraw/zinc/53/56/54/569535654.db2.gz YLOUQWSDPHXHQT-UHFFFAOYSA-N 0 0 446.916 4.439 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000009444295 569535740 /nfs/dbraw/zinc/53/57/40/569535740.db2.gz VAVWFLWMXGZNHJ-UHFFFAOYSA-N 0 0 446.912 4.410 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000009462705 569537276 /nfs/dbraw/zinc/53/72/76/569537276.db2.gz NOUZWNVMSHDJMV-UHFFFAOYSA-N 0 0 425.535 4.451 50 0 IIAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1CCc2ccccc21 ZINC000009463853 569537550 /nfs/dbraw/zinc/53/75/50/569537550.db2.gz DBGFMVPECSSIER-JTQLQIEISA-N 0 0 426.851 4.471 50 0 IIAARN O=c1c2ccc(-c3nnc(SCc4cn5ccccc5n4)o3)cc2nc2n1CCCCC2 ZINC000009464656 569537697 /nfs/dbraw/zinc/53/76/97/569537697.db2.gz HCERXXFBWVGEOB-UHFFFAOYSA-N 0 0 444.520 4.113 50 0 IIAARN CCNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000009465126 569537854 /nfs/dbraw/zinc/53/78/54/569537854.db2.gz WOMJQQAESLGXNG-OAHLLOKOSA-N 0 0 426.517 4.064 50 0 IIAARN Cc1csc(N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c2ccccc2)n1 ZINC000009466984 569538301 /nfs/dbraw/zinc/53/83/01/569538301.db2.gz UGBMLXMNSGEQDE-LJQANCHMSA-N 0 0 445.541 4.109 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2c1 ZINC000009467244 569538385 /nfs/dbraw/zinc/53/83/85/569538385.db2.gz MBSKGARGKQGCFI-QFIPXVFZSA-N 0 0 441.553 4.338 50 0 IIAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000009467862 569538561 /nfs/dbraw/zinc/53/85/61/569538561.db2.gz PVPFVRVBBSVPRA-QGZVFWFLSA-N 0 0 441.528 4.086 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000009469138 569538762 /nfs/dbraw/zinc/53/87/62/569538762.db2.gz REZUCUFNQHANTD-UHFFFAOYSA-N 0 0 434.452 4.172 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCn1ccc2ccccc21)c1cccs1 ZINC000009469575 569538788 /nfs/dbraw/zinc/53/87/88/569538788.db2.gz KGMPYKPKBMZDOF-NRFANRHFSA-N 0 0 431.561 4.250 50 0 IIAARN CCOc1cc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc(OCC)c1OCC ZINC000009471850 569538999 /nfs/dbraw/zinc/53/89/99/569538999.db2.gz PTPMDECVSCHMEE-UHFFFAOYSA-N 0 0 427.457 4.194 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000009488069 569539809 /nfs/dbraw/zinc/53/98/09/569539809.db2.gz XRTBSOUYSOFXJB-DNQXCXABSA-N 0 0 436.471 4.277 50 0 IIAARN COc1cc(OC)c(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1Cl ZINC000009487813 569539817 /nfs/dbraw/zinc/53/98/17/569539817.db2.gz KVCCNOMCGDVIHA-UHFFFAOYSA-N 0 0 429.904 4.266 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OC)c1 ZINC000009490359 569540171 /nfs/dbraw/zinc/54/01/71/569540171.db2.gz MXFOIFTWAIGSMN-UHFFFAOYSA-N 0 0 428.485 4.302 50 0 IIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCCC(=O)c1ccccc1 ZINC000009491350 569540309 /nfs/dbraw/zinc/54/03/09/569540309.db2.gz DKYHIJPPBLDGFX-UHFFFAOYSA-N 0 0 431.583 4.239 50 0 IIAARN CC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000009491538 569540387 /nfs/dbraw/zinc/54/03/87/569540387.db2.gz NYUHINLFWAHCLN-UHFFFAOYSA-N 0 0 426.460 4.378 50 0 IIAARN Cc1cc(C)n2c(nnc2SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000009492418 569540559 /nfs/dbraw/zinc/54/05/59/569540559.db2.gz XEELCHZLJPVYPM-UHFFFAOYSA-N 0 0 431.565 4.105 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2NC1=O ZINC000009498282 569541310 /nfs/dbraw/zinc/54/13/10/569541310.db2.gz WJLQMVJVGGWDED-FPTDNZKUSA-N 0 0 428.444 4.113 50 0 IIAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)c2cc1Cl ZINC000009506990 569541877 /nfs/dbraw/zinc/54/18/77/569541877.db2.gz WKWHEPVWEJBXJP-OAQYLSRUSA-N 0 0 428.897 4.100 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000009509730 569542611 /nfs/dbraw/zinc/54/26/11/569542611.db2.gz LFAMHINGJJCOBO-UHFFFAOYSA-N 0 0 431.341 4.041 50 0 IIAARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009511793 569542840 /nfs/dbraw/zinc/54/28/40/569542840.db2.gz LEWGSBBGJRDWBH-UHFFFAOYSA-N 0 0 428.583 4.072 50 0 IIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009516038 569543390 /nfs/dbraw/zinc/54/33/90/569543390.db2.gz TYOJNNZQZUWHHH-RDGATRHJSA-N 0 0 449.551 4.150 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000009516682 569543485 /nfs/dbraw/zinc/54/34/85/569543485.db2.gz RWXXEDFYXNGYOH-GHTZIAJQSA-N 0 0 437.613 4.309 50 0 IIAARN O=C(Cn1cc(C(=O)C(=O)Nc2cccc3ccccc32)c2ccccc21)N1CCCC1 ZINC000009518866 569544186 /nfs/dbraw/zinc/54/41/86/569544186.db2.gz NCNBXPZUDAORLN-UHFFFAOYSA-N 0 0 425.488 4.238 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000009527459 569544681 /nfs/dbraw/zinc/54/46/81/569544681.db2.gz JFWXGIYCBPCJJG-UHFFFAOYSA-N 0 0 425.337 4.330 50 0 IIAARN CCOc1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 ZINC000009529262 569544785 /nfs/dbraw/zinc/54/47/85/569544785.db2.gz AIYLNBVLGVBLRH-UHFFFAOYSA-N 0 0 431.945 4.207 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ncc(Cl)c(Cl)c2Cl)c1C ZINC000009536139 569545573 /nfs/dbraw/zinc/54/55/73/569545573.db2.gz ZKONSXKHFLDLPX-QMMMGPOBSA-N 0 0 433.675 4.202 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N4CCC[C@@H]5CCCC[C@@H]54)c(=O)c3s2)cc1 ZINC000009537299 569545611 /nfs/dbraw/zinc/54/56/11/569545611.db2.gz GIFJLQPQAFXRNU-JXFKEZNVSA-N 0 0 437.565 4.315 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N4CCC[C@@H]5CCCC[C@H]54)c(=O)c3s2)cc1 ZINC000009537306 569545624 /nfs/dbraw/zinc/54/56/24/569545624.db2.gz GIFJLQPQAFXRNU-OXJNMPFZSA-N 0 0 437.565 4.315 50 0 IIAARN CC[C@@H](CCNC(=S)Nc1ccccc1OC)NC(=S)Nc1ccccc1OC ZINC000009540634 569545842 /nfs/dbraw/zinc/54/58/42/569545842.db2.gz MAKPHTBUAHJPER-HNNXBMFYSA-N 0 0 432.615 4.146 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000009544809 569546055 /nfs/dbraw/zinc/54/60/55/569546055.db2.gz MXPPCCSTKPRVRD-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnnn1C[C@@H]1CCCO1 ZINC000009548465 569546443 /nfs/dbraw/zinc/54/64/43/569546443.db2.gz IKSRPAZZLGMDKB-HNNXBMFYSA-N 0 0 439.928 4.165 50 0 IIAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OCc3ccccc3)cc1)C2=O ZINC000009549424 569546614 /nfs/dbraw/zinc/54/66/14/569546614.db2.gz OHFHCXGECJJCNM-UHFFFAOYSA-N 0 0 435.524 4.095 50 0 IIAARN COc1ccc(-c2nc3scc(CCNC(=O)c4cccc(Cl)c4)n3n2)cc1OC ZINC000009568892 569547461 /nfs/dbraw/zinc/54/74/61/569547461.db2.gz HFZDDQKINYQQES-UHFFFAOYSA-N 0 0 442.928 4.101 50 0 IIAARN CC(C)[C@@H](NC(=O)CSc1n[nH]c(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 ZINC000009580773 569548804 /nfs/dbraw/zinc/54/88/04/569548804.db2.gz GUJVNJMTKIDAOW-OAQYLSRUSA-N 0 0 438.553 4.239 50 0 IIAARN COc1cccc(-c2nc(CC(=O)OCC(=O)N[C@H]3CCCc4ccccc43)cs2)c1 ZINC000009583144 569549258 /nfs/dbraw/zinc/54/92/58/569549258.db2.gz NPIUAORFDUSKDC-NRFANRHFSA-N 0 0 436.533 4.098 50 0 IIAARN CC(=O)n1cc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)O2)c2ccccc21 ZINC000009587036 569549755 /nfs/dbraw/zinc/54/97/55/569549755.db2.gz KEZZJVKXXFEBIX-FQEVSTJZSA-N 0 0 426.270 4.303 50 0 IIAARN NC(=O)CSc1ccccc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000009587798 569549818 /nfs/dbraw/zinc/54/98/18/569549818.db2.gz XYJAMYRHMXSQCW-UHFFFAOYSA-N 0 0 434.546 4.431 50 0 IIAARN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1nnc(-c2ccccc2)o1 ZINC000009592995 569550418 /nfs/dbraw/zinc/55/04/18/569550418.db2.gz KNJXREYSQNBQEX-UHFFFAOYSA-N 0 0 427.416 4.360 50 0 IIAARN CC(C)CNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000009593806 569550470 /nfs/dbraw/zinc/55/04/70/569550470.db2.gz WJOUHEADGTZOLQ-ROUUACIJSA-N 0 0 427.961 4.130 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NCc4ccco4)s3)c2C)no1 ZINC000009593870 569550532 /nfs/dbraw/zinc/55/05/32/569550532.db2.gz NCJJMPBXPORVNI-UHFFFAOYSA-N 0 0 429.527 4.422 50 0 IIAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C12CCCCC2 ZINC000070666209 569550579 /nfs/dbraw/zinc/55/05/79/569550579.db2.gz BCXFUQOFNOIJKR-HTAPYJJXSA-N 0 0 433.552 4.465 50 0 biogenic IIAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OCC)cc2)C1=O ZINC000009594403 569550597 /nfs/dbraw/zinc/55/05/97/569550597.db2.gz KLSPUPRFNPCPAA-JOCHJYFZSA-N 0 0 446.341 4.455 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H]1CCOC(C)(C)C1)OC(C)(C)CC3 ZINC000070666637 569550691 /nfs/dbraw/zinc/55/06/91/569550691.db2.gz LZAFKQNXVWRNLN-KRWDZBQOSA-N 0 0 427.541 4.211 50 0 biogenic IIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000009596934 569550793 /nfs/dbraw/zinc/55/07/93/569550793.db2.gz YAKXMSUUDKXFRR-UHFFFAOYSA-N 0 0 443.546 4.177 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)cc1Cl ZINC000009597774 569550921 /nfs/dbraw/zinc/55/09/21/569550921.db2.gz JQOCZZBQEIISDM-UHFFFAOYSA-N 0 0 426.716 4.106 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009599546 569551291 /nfs/dbraw/zinc/55/12/91/569551291.db2.gz AOAQEOBTWMBYRG-UHFFFAOYSA-N 0 0 427.909 4.374 50 0 IIAARN O=C(CSc1nnc(NC(=O)Cc2cccc3ccccc32)s1)NC1CCCC1 ZINC000009599880 569551379 /nfs/dbraw/zinc/55/13/79/569551379.db2.gz AUADXMOOXDHCJD-UHFFFAOYSA-N 0 0 426.567 4.023 50 0 IIAARN COc1ccc(-c2nc3n(n2)[C@H](c2cccs2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000009601978 569551684 /nfs/dbraw/zinc/55/16/84/569551684.db2.gz LRBWNOIDUWLZFX-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccccc1F ZINC000009608490 569552130 /nfs/dbraw/zinc/55/21/30/569552130.db2.gz NVSFUSPJAPTGKF-GOSISDBHSA-N 0 0 425.489 4.075 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)C1 ZINC000009609917 569552450 /nfs/dbraw/zinc/55/24/50/569552450.db2.gz FCNZUDAHJCWXJX-OAQYLSRUSA-N 0 0 448.567 4.056 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000009610783 569552624 /nfs/dbraw/zinc/55/26/24/569552624.db2.gz ZSDWQWSVAWHPLG-UHFFFAOYSA-N 0 0 429.472 4.307 50 0 IIAARN CCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2I)s1 ZINC000009612583 569552829 /nfs/dbraw/zinc/55/28/29/569552829.db2.gz NSKLUGBSRHJIFH-UHFFFAOYSA-N 0 0 428.082 4.264 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2F)ccc1OC ZINC000009614022 569553108 /nfs/dbraw/zinc/55/31/08/569553108.db2.gz DWURSHFDCFGEJM-UHFFFAOYSA-N 0 0 443.496 4.264 50 0 IIAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nn1 ZINC000009627055 569553522 /nfs/dbraw/zinc/55/35/22/569553522.db2.gz PZQFSZFAUFZYOJ-UHFFFAOYSA-N 0 0 435.427 4.208 50 0 IIAARN Cc1cc(C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c(C)n1C[C@H]1CCCO1 ZINC000009631054 569553701 /nfs/dbraw/zinc/55/37/01/569553701.db2.gz NQDAYPLYTUCGAZ-XMMPIXPASA-N 0 0 446.547 4.476 50 0 IIAARN CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000009632276 569553989 /nfs/dbraw/zinc/55/39/89/569553989.db2.gz NMOCMVDOMQTCTH-INIZCTEOSA-N 0 0 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ZINC000020937106 524494955 /nfs/dbraw/zinc/49/49/55/524494955.db2.gz CQSDMIDPDVBUCV-UHFFFAOYSA-N 0 0 446.526 4.201 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2Cc2ccco2)cc1 ZINC000012583916 524511770 /nfs/dbraw/zinc/51/17/70/524511770.db2.gz UHOZSNXLALBXFQ-UHFFFAOYSA-N 0 0 441.534 4.147 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000035533544 524512915 /nfs/dbraw/zinc/51/29/15/524512915.db2.gz SVFLMTQKLDDPKY-ZDUSSCGKSA-N 0 0 429.571 4.062 50 0 IIAARN COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)c(C)c2)cc1Cl ZINC000020582172 524529263 /nfs/dbraw/zinc/52/92/63/524529263.db2.gz ASCNGDNKFZDBJE-UHFFFAOYSA-N 0 0 436.899 4.105 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000012860243 524563308 /nfs/dbraw/zinc/56/33/08/524563308.db2.gz GHCPYTZZCMVANY-OAQYLSRUSA-N 0 0 441.531 4.225 50 0 IIAARN COc1ccc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1OC ZINC000033025563 524564411 /nfs/dbraw/zinc/56/44/11/524564411.db2.gz VDHGAPLRBXNGMU-UHFFFAOYSA-N 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ZINC000012856799 524595493 /nfs/dbraw/zinc/59/54/93/524595493.db2.gz JDFDSONJUXJPJE-DEOSSOPVSA-N 0 0 438.549 4.360 50 0 IIAARN COc1ccccc1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533603 524600392 /nfs/dbraw/zinc/60/03/92/524600392.db2.gz ALFPSQVFFDHXDZ-ZDUSSCGKSA-N 0 0 429.571 4.062 50 0 IIAARN COc1ccccc1NC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561333 524601411 /nfs/dbraw/zinc/60/14/11/524601411.db2.gz KXUVJDYYESCVCK-OAQYLSRUSA-N 0 0 446.503 4.438 50 0 IIAARN Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)c1 ZINC000033277956 524609955 /nfs/dbraw/zinc/60/99/55/524609955.db2.gz OCQPTAFOKNKSKU-UHFFFAOYSA-N 0 0 447.539 4.378 50 0 IIAARN COc1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000021100535 524616335 /nfs/dbraw/zinc/61/63/35/524616335.db2.gz KJXXELYGMVDSGK-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012306815 524618027 /nfs/dbraw/zinc/61/80/27/524618027.db2.gz JSSAMKYXLZYUPL-UHFFFAOYSA-N 0 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ZINC000012862371 524740808 /nfs/dbraw/zinc/74/08/08/524740808.db2.gz XWKVESQZALHUHD-UHFFFAOYSA-N 0 0 432.973 4.177 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000036051764 524760787 /nfs/dbraw/zinc/76/07/87/524760787.db2.gz HSEMQFLCCKCAKH-XZOQPEGZSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000033006776 524771189 /nfs/dbraw/zinc/77/11/89/524771189.db2.gz VKKZZQFXPWBQTK-UHFFFAOYSA-N 0 0 447.535 4.301 50 0 IIAARN COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2csc(C)n2)cc1)N(C)C ZINC000021557072 524793461 /nfs/dbraw/zinc/79/34/61/524793461.db2.gz UGLFZVNRKXNQHZ-NRFANRHFSA-N 0 0 425.554 4.072 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)c1 ZINC000012929008 524847885 /nfs/dbraw/zinc/84/78/85/524847885.db2.gz AAUJLUTZPDJTRS-UHFFFAOYSA-N 0 0 426.542 4.180 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000032975187 524857698 /nfs/dbraw/zinc/85/76/98/524857698.db2.gz BTCPQQMYNHRPDZ-UHFFFAOYSA-N 0 0 426.448 4.304 50 0 IIAARN Cc1cccc([C@H]2CC[C@H](C(=O)NCCc3ccccn3)CN2C(=O)c2ccccc2)c1 ZINC000034671244 524900394 /nfs/dbraw/zinc/90/03/94/524900394.db2.gz XEWCXNLSDBKUDR-UKILVPOCSA-N 0 0 427.548 4.342 50 0 IIAARN Cc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000012289031 524923829 /nfs/dbraw/zinc/92/38/29/524923829.db2.gz NRBJCLWZDCGBDY-SJORKVTESA-N 0 0 444.862 4.279 50 0 IIAARN Cc1cccc2c(=O)c(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c[nH]c12 ZINC000020463362 524924512 /nfs/dbraw/zinc/92/45/12/524924512.db2.gz ICALOUNILUYIKT-UHFFFAOYSA-N 0 0 430.430 4.209 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)c(C)c1 ZINC000020393398 524929889 /nfs/dbraw/zinc/92/98/89/524929889.db2.gz KWKDINVTDZGBHV-KIHHCIJBSA-N 0 0 438.483 4.295 50 0 IIAARN C[C@@H]1CN(CC(=O)NCc2csc(Cc3ccccc3)n2)Cc2cc(Cl)ccc2O1 ZINC000012155312 524930826 /nfs/dbraw/zinc/93/08/26/524930826.db2.gz ZAPOYABWZQCZIY-MRXNPFEDSA-N 0 0 441.984 4.287 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nc(-c5ccccc5C)no4)CC3)CC2=O)cc1 ZINC000020945752 524983648 /nfs/dbraw/zinc/98/36/48/524983648.db2.gz XYADDOOYHDSSLE-HXUWFJFHSA-N 0 0 444.535 4.113 50 0 IIAARN Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000021883650 524997374 /nfs/dbraw/zinc/99/73/74/524997374.db2.gz PVVGFTMRPDSLCX-UHFFFAOYSA-N 0 0 431.533 4.340 50 0 IIAARN Cc1cccc2sc(NC(=O)C[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 ZINC000022732290 524999604 /nfs/dbraw/zinc/99/96/04/524999604.db2.gz NPLRGNVCINPQOM-AWEZNQCLSA-N 0 0 435.596 4.238 50 0 IIAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907976 524999769 /nfs/dbraw/zinc/99/97/69/524999769.db2.gz FXYYNVMPWKZJDI-FQEVSTJZSA-N 0 0 430.570 4.274 50 0 IIAARN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000012279678 525005218 /nfs/dbraw/zinc/00/52/18/525005218.db2.gz OGZLTUCJAATVLL-RTWAWAEBSA-N 0 0 428.536 4.257 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4sccc43)cc2)cc1 ZINC000015163371 525006688 /nfs/dbraw/zinc/00/66/88/525006688.db2.gz ADSQJBFWXVAWML-UHFFFAOYSA-N 0 0 427.507 4.317 50 0 IIAARN C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000012778464 525082396 /nfs/dbraw/zinc/08/23/96/525082396.db2.gz GTICCCYXCCBWHR-INIZCTEOSA-N 0 0 435.977 4.075 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035399774 525100084 /nfs/dbraw/zinc/10/00/84/525100084.db2.gz LWGXXXSNHWQMLQ-UHFFFAOYSA-N 0 0 440.478 4.486 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)c(C)c1 ZINC000012140715 525100365 /nfs/dbraw/zinc/10/03/65/525100365.db2.gz CKNBYKWRGITWGK-UHFFFAOYSA-N 0 0 439.471 4.154 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)c(C)c1 ZINC000035457237 525100837 /nfs/dbraw/zinc/10/08/37/525100837.db2.gz PKSFHVLCFCLZLU-UHFFFAOYSA-N 0 0 444.579 4.181 50 0 IIAARN Cc1ccc(NC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1Br ZINC000012462186 525110273 /nfs/dbraw/zinc/11/02/73/525110273.db2.gz OOEJQCVAAXDDGK-UHFFFAOYSA-N 0 0 440.223 4.069 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000035262628 525190922 /nfs/dbraw/zinc/19/09/22/525190922.db2.gz BDXNAXTYWXAXRA-SJORKVTESA-N 0 0 444.373 4.435 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC000035413485 525196189 /nfs/dbraw/zinc/19/61/89/525196189.db2.gz RHLZXQYHGMOEQM-JOCHJYFZSA-N 0 0 437.927 4.379 50 0 IIAARN COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2nccn2C)cc1 ZINC000012550354 525197464 /nfs/dbraw/zinc/19/74/64/525197464.db2.gz XTQGASYNHVCZSN-ORAYPTAESA-N 0 0 434.323 4.409 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442342 525209500 /nfs/dbraw/zinc/20/95/00/525209500.db2.gz RMCAGMCGLIHIHY-OAHLLOKOSA-N 0 0 448.504 4.439 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccco1 ZINC000021865566 525212344 /nfs/dbraw/zinc/21/23/44/525212344.db2.gz FXKNIUUYTFKVDS-AREMUKBSSA-N 0 0 443.503 4.115 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)o1 ZINC000020848940 525243601 /nfs/dbraw/zinc/24/36/01/525243601.db2.gz MDQWJKIGOKNNJC-AWEZNQCLSA-N 0 0 442.928 4.283 50 0 IIAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000012816027 525247999 /nfs/dbraw/zinc/24/79/99/525247999.db2.gz PJUPFBNOBCYUCQ-UHFFFAOYSA-N 0 0 434.926 4.054 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000033011765 525261959 /nfs/dbraw/zinc/26/19/59/525261959.db2.gz PTHOENOXEOQJES-MRXNPFEDSA-N 0 0 440.594 4.328 50 0 IIAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000012748793 525305882 /nfs/dbraw/zinc/30/58/82/525305882.db2.gz GCNHTXQZNUMFGP-YGRLFVJLSA-N 0 0 441.336 4.244 50 0 IIAARN COc1ccc([C@H](CC(=O)Nc2cc(OC)cc(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560604 525343904 /nfs/dbraw/zinc/34/39/04/525343904.db2.gz KOEGEGNOOPLVPX-DEOSSOPVSA-N 0 0 446.503 4.438 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2ccccc2OC)N2Cc3ccccc3C2=O)cc1 ZINC000020560686 525344835 /nfs/dbraw/zinc/34/48/35/525344835.db2.gz AMECVXHYJNMXOW-QHCPKHFHSA-N 0 0 430.504 4.107 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2cccnc2)c2cn(C)c3ccccc23)cc1OC ZINC000035891538 525344931 /nfs/dbraw/zinc/34/49/31/525344931.db2.gz DKMRLPABBZLGLF-NRFANRHFSA-N 0 0 429.520 4.429 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)s2)N2CCOCC2)cc1 ZINC000022686495 525358528 /nfs/dbraw/zinc/35/85/28/525358528.db2.gz MHURZDUXOQXEHQ-NRFANRHFSA-N 0 0 440.540 4.366 50 0 IIAARN C[C@@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1Cl ZINC000011840529 525369620 /nfs/dbraw/zinc/36/96/20/525369620.db2.gz MWWZVKWABDHOBG-MRXNPFEDSA-N 0 0 443.975 4.275 50 0 IIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000022296250 525385791 /nfs/dbraw/zinc/38/57/91/525385791.db2.gz HBYLPXKALHCSJS-IYOUNJFTSA-N 0 0 430.599 4.063 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035945973 525406824 /nfs/dbraw/zinc/40/68/24/525406824.db2.gz INTOMJFDBXBBHM-OAQYLSRUSA-N 0 0 442.947 4.076 50 0 IIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3N2)cc1OC ZINC000012846756 525422891 /nfs/dbraw/zinc/42/28/91/525422891.db2.gz ZKGQFIBTJCMIIB-KDOFPFPSSA-N 0 0 438.450 4.187 50 0 IIAARN Cc1cc(SCC(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)cc1Br ZINC000012586398 525434794 /nfs/dbraw/zinc/43/47/94/525434794.db2.gz DJERNSPBMXFKDF-GASCZTMLSA-N 0 0 428.392 4.491 50 0 IIAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(N5CCCC5)nc4)cc3)nc12 ZINC000012673779 525472749 /nfs/dbraw/zinc/47/27/49/525472749.db2.gz BHINTCDUGZWJCX-UHFFFAOYSA-N 0 0 427.508 4.469 50 0 IIAARN CSCCCNC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022373512 525477523 /nfs/dbraw/zinc/47/75/23/525477523.db2.gz SDNBTGDXKHNNAN-UHFFFAOYSA-N 0 0 435.609 4.299 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cc(C)ccc2C)cc1 ZINC000015768884 525503802 /nfs/dbraw/zinc/50/38/02/525503802.db2.gz BUDJYVGGNSYCGI-UHFFFAOYSA-N 0 0 436.577 4.466 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000012934730 525518434 /nfs/dbraw/zinc/51/84/34/525518434.db2.gz FTKOPGSZXLGXAG-UHFFFAOYSA-N 0 0 436.577 4.208 50 0 IIAARN C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1 ZINC000009812747 525528497 /nfs/dbraw/zinc/52/84/97/525528497.db2.gz MWBCTMUWCCAWKA-OCKXMSAZSA-N 0 0 436.533 4.060 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc4c(c3)OCO4)CC1)c1cccn1-2 ZINC000035446985 525551344 /nfs/dbraw/zinc/55/13/44/525551344.db2.gz IMAZSNLOEZBUIE-UHFFFAOYSA-N 0 0 432.480 4.163 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NC2CCCCC2)cc1 ZINC000020850149 525552331 /nfs/dbraw/zinc/55/23/31/525552331.db2.gz FXRASCXCXZIPHB-HSZRJFAPSA-N 0 0 426.582 4.122 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(C)ccc3C)CC1)c1cccn1-2 ZINC000035399348 525552693 /nfs/dbraw/zinc/55/26/93/525552693.db2.gz IMCSXYXCQTUHJU-UHFFFAOYSA-N 0 0 437.565 4.208 50 0 biogenic IIAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c(C)n1C ZINC000021154483 525572768 /nfs/dbraw/zinc/57/27/68/525572768.db2.gz MBXFTIYXRKZWAP-UHFFFAOYSA-N 0 0 441.956 4.251 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000253387995 525575173 /nfs/dbraw/zinc/57/51/73/525575173.db2.gz CZQULSRPOXSHGQ-IYARVYRRSA-N 0 0 425.554 4.200 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c(C)c1 ZINC000012605143 525603431 /nfs/dbraw/zinc/60/34/31/525603431.db2.gz WCUXTFMZROQJHF-UHFFFAOYSA-N 0 0 448.541 4.353 50 0 IIAARN Cc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(Br)cc1 ZINC000012764433 525658244 /nfs/dbraw/zinc/65/82/44/525658244.db2.gz KOWATJXVLXLABQ-UHFFFAOYSA-N 0 0 426.318 4.191 50 0 IIAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2c1 ZINC000012605879 525674391 /nfs/dbraw/zinc/67/43/91/525674391.db2.gz QDTYXEQQEVNNFM-UHFFFAOYSA-N 0 0 439.518 4.358 50 0 IIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NCc3ccccc3Cl)c(=O)c12 ZINC000020947203 525676093 /nfs/dbraw/zinc/67/60/93/525676093.db2.gz KCXHZKFWQDFWCB-UHFFFAOYSA-N 0 0 434.927 4.082 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013822 525692302 /nfs/dbraw/zinc/69/23/02/525692302.db2.gz USFAZAFGOGJBSU-QGZVFWFLSA-N 0 0 430.508 4.395 50 0 IIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(F)cc2C)c(C)n3C)c1 ZINC000035448589 525711502 /nfs/dbraw/zinc/71/15/02/525711502.db2.gz MYNVPKFJCHMULF-UHFFFAOYSA-N 0 0 448.498 4.036 50 0 IIAARN Cc1ccnc2nc(C(=O)N(CCc3ccccc3)c3nc(-c4ccccc4)cs3)nn21 ZINC000012798867 525717257 /nfs/dbraw/zinc/71/72/57/525717257.db2.gz ZFYKSCBXTMLSTG-UHFFFAOYSA-N 0 0 440.532 4.446 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3cccnc3)CC(C)C)no2)cc1C ZINC000036001660 525717305 /nfs/dbraw/zinc/71/73/05/525717305.db2.gz LJZJUULALXEWGH-UHFFFAOYSA-N 0 0 434.540 4.158 50 0 IIAARN COc1cccc(-c2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)c1OC ZINC000012999906 525719727 /nfs/dbraw/zinc/71/97/27/525719727.db2.gz IXXKOCVXYYPTDO-ZDUSSCGKSA-N 0 0 430.551 4.205 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)cc1C ZINC000036001637 525726502 /nfs/dbraw/zinc/72/65/02/525726502.db2.gz FFHDLUUHUSKRAR-HSZRJFAPSA-N 0 0 431.536 4.312 50 0 IIAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)nc3n2)cc1 ZINC000021727678 525731030 /nfs/dbraw/zinc/73/10/30/525731030.db2.gz PQHVFBSJXJZUKL-UHFFFAOYSA-N 0 0 441.369 4.100 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)n2)cc1C ZINC000012762590 525782630 /nfs/dbraw/zinc/78/26/30/525782630.db2.gz BVHRCVNPWNKUPP-HNNXBMFYSA-N 0 0 441.578 4.390 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 ZINC000021851089 525794137 /nfs/dbraw/zinc/79/41/37/525794137.db2.gz NCXWILVWZKUHEE-VWLOTQADSA-N 0 0 448.592 4.475 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccnc1 ZINC000021809594 525796089 /nfs/dbraw/zinc/79/60/89/525796089.db2.gz KZKNWWSPUDNKNR-DEOSSOPVSA-N 0 0 436.581 4.352 50 0 IIAARN COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000036054685 525808227 /nfs/dbraw/zinc/80/82/27/525808227.db2.gz DZKDRJHXHJZJHI-BJKOFHAPSA-N 0 0 432.495 4.007 50 0 IIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036054687 525809577 /nfs/dbraw/zinc/80/95/77/525809577.db2.gz DZKDRJHXHJZJHI-ZEQRLZLVSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccc(-c2nc(CN3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)no2)cc1 ZINC000021724358 525810033 /nfs/dbraw/zinc/81/00/33/525810033.db2.gz HKOVVUWHAFETQP-QHCPKHFHSA-N 0 0 430.552 4.451 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c3nnc(S[C@H](C)C(=O)NC[C@@H]4CCCO4)n32)cc1 ZINC000021727402 525825522 /nfs/dbraw/zinc/82/55/22/525825522.db2.gz OSCVCHWEIPPFDD-AEFFLSMTSA-N 0 0 447.564 4.029 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4cc(C)sc4n3)c2)c1 ZINC000041077362 525830953 /nfs/dbraw/zinc/83/09/53/525830953.db2.gz HNJYHFOIIVCDMQ-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN Cc1c(NC(=O)CCSc2nnc(C3CCCCC3)o2)c(=O)n(-c2ccccc2)n1C ZINC000022200363 525833438 /nfs/dbraw/zinc/83/34/38/525833438.db2.gz TUZVIXSPZNUIFH-UHFFFAOYSA-N 0 0 441.557 4.036 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cnn3cccnc23)cc1C ZINC000012899989 525840595 /nfs/dbraw/zinc/84/05/95/525840595.db2.gz QIVCQTVFTAAMSQ-UHFFFAOYSA-N 0 0 436.519 4.471 50 0 IIAARN Cc1ccc(-c2nnc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2C)cc1 ZINC000012866824 525858384 /nfs/dbraw/zinc/85/83/84/525858384.db2.gz QQNQOHJUOQFOSD-IBGZPJMESA-N 0 0 438.528 4.243 50 0 IIAARN Cc1c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000022560084 525859126 /nfs/dbraw/zinc/85/91/26/525859126.db2.gz DGXRVILLBUMWQI-UHFFFAOYSA-N 0 0 432.528 4.186 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)c1 ZINC000035962650 525859375 /nfs/dbraw/zinc/85/93/75/525859375.db2.gz DVOWGJXKAVMEGA-XMMPIXPASA-N 0 0 445.494 4.284 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCC[C@H]4CCCC[C@@H]43)nnc2N2CCCC2)cc1 ZINC000009338547 525898151 /nfs/dbraw/zinc/89/81/51/525898151.db2.gz QQWVZAYMLFGWFA-CTNGQTDRSA-N 0 0 439.629 4.449 50 0 IIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012930812 525929225 /nfs/dbraw/zinc/92/92/25/525929225.db2.gz TWZNWLVJKREPSR-MRXNPFEDSA-N 0 0 428.485 4.057 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1cccc(Cl)c1)nc2C ZINC000020563584 525936214 /nfs/dbraw/zinc/93/62/14/525936214.db2.gz NLMGGVHNBXSWAK-UHFFFAOYSA-N 0 0 435.915 4.271 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000012819031 525939680 /nfs/dbraw/zinc/93/96/80/525939680.db2.gz AHKDQSGQHBCDHJ-IBGZPJMESA-N 0 0 443.341 4.307 50 0 IIAARN Cc1cn2c(nc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)cc2=O)s1 ZINC000035475921 525941682 /nfs/dbraw/zinc/94/16/82/525941682.db2.gz VOUOPIGMHYLWAO-MRXNPFEDSA-N 0 0 435.505 4.049 50 0 IIAARN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000014389898 525952241 /nfs/dbraw/zinc/95/22/41/525952241.db2.gz WLDKYXNPWWHILV-SFHVURJKSA-N 0 0 444.915 4.146 50 0 IIAARN COc1cccc(CN2C[C@@H](C(=O)NC3c4ccccc4-c4ccccc43)CCC2=O)c1 ZINC000012468320 525955385 /nfs/dbraw/zinc/95/53/85/525955385.db2.gz 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0 0 434.931 4.113 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2cccc(C)c2)cc1 ZINC000000622496 555511131 /nfs/dbraw/zinc/51/11/31/555511131.db2.gz FYCYLDYVFPKWLF-UHFFFAOYSA-N 0 0 428.598 4.333 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2Cl)n2nc(-c3cccnc3)nc2N1 ZINC000000645585 555520429 /nfs/dbraw/zinc/52/04/29/555520429.db2.gz KUQLIVXHKIBMRB-FQEVSTJZSA-N 0 0 443.898 4.316 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccncc2)cc1 ZINC000000645510 555520453 /nfs/dbraw/zinc/52/04/53/555520453.db2.gz ZFUZYHUCRIAFBB-JOCHJYFZSA-N 0 0 438.491 4.276 50 0 IIAARN COc1cc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc(OC)c1OC ZINC000000656114 555524812 /nfs/dbraw/zinc/52/48/12/555524812.db2.gz IGOXCTAIYFGNIA-UHFFFAOYSA-N 0 0 431.382 4.382 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000670162 555530427 /nfs/dbraw/zinc/53/04/27/555530427.db2.gz DIPADFDZANGECU-INIZCTEOSA-N 0 0 443.455 4.314 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(Br)o1 ZINC000000672622 555532024 /nfs/dbraw/zinc/53/20/24/555532024.db2.gz IRARHHQMNCXPHX-UHFFFAOYSA-N 0 0 447.310 4.046 50 0 IIAARN Cc1c(CN(C)C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cnn1C ZINC000000674179 555532799 /nfs/dbraw/zinc/53/27/99/555532799.db2.gz IQUZNGKRSRVXBY-IEBWSBKVSA-N 0 0 446.477 4.166 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccc(OC)c1 ZINC000000676501 555534913 /nfs/dbraw/zinc/53/49/13/555534913.db2.gz SJWYSFNQAKVXTJ-UHFFFAOYSA-N 0 0 442.468 4.495 50 0 IIAARN NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Br)sc2c1CCCC2 ZINC000000676799 555535196 /nfs/dbraw/zinc/53/51/96/555535196.db2.gz XEODLAWCPBEFCY-UHFFFAOYSA-N 0 0 443.750 4.159 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000000683285 555538746 /nfs/dbraw/zinc/53/87/46/555538746.db2.gz BBODZRKEXYCBSW-UHFFFAOYSA-N 0 0 428.941 4.422 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2CC)cc1 ZINC000000687599 555540970 /nfs/dbraw/zinc/54/09/70/555540970.db2.gz GHDXCCXTFCIIGS-UHFFFAOYSA-N 0 0 426.542 4.315 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000702236 555542847 /nfs/dbraw/zinc/54/28/47/555542847.db2.gz UZOPOIWMKKIABA-JOCHJYFZSA-N 0 0 436.533 4.479 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000707046 555545031 /nfs/dbraw/zinc/54/50/31/555545031.db2.gz ALBJJKPDHHVRSH-UHFFFAOYSA-N 0 0 427.551 4.478 50 0 IIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000000815340 555561775 /nfs/dbraw/zinc/56/17/75/555561775.db2.gz JQFRSOYMCDXWQF-UHFFFAOYSA-N 0 0 438.482 4.265 50 0 IIAARN CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000000825807 555565069 /nfs/dbraw/zinc/56/50/69/555565069.db2.gz HDXNAHDUIZMOSY-UHFFFAOYSA-N 0 0 449.937 4.176 50 0 IIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000844475 555569000 /nfs/dbraw/zinc/56/90/00/555569000.db2.gz LDLPKQZXMLOWTM-SFHVURJKSA-N 0 0 435.263 4.093 50 0 IIAARN CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Br)c2)cc1 ZINC000000845573 555569322 /nfs/dbraw/zinc/56/93/22/555569322.db2.gz VRCASXZMFJKMPT-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3n2)cc1 ZINC000000862881 555572893 /nfs/dbraw/zinc/57/28/93/555572893.db2.gz WNOKREAQMPPDEU-UHFFFAOYSA-N 0 0 428.370 4.382 50 0 IIAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(OC)c1 ZINC000000865845 555573457 /nfs/dbraw/zinc/57/34/57/555573457.db2.gz MYWNFNJOGDIANC-CXAGYDPISA-N 0 0 436.390 4.406 50 0 IIAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(OC)c1 ZINC000000865847 555573567 /nfs/dbraw/zinc/57/35/67/555573567.db2.gz MYWNFNJOGDIANC-DYVFJYSZSA-N 0 0 436.390 4.406 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1OC ZINC000000881534 555577454 /nfs/dbraw/zinc/57/74/54/555577454.db2.gz RORZAWXLCAPRCY-UHFFFAOYSA-N 0 0 448.504 4.342 50 0 IIAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000000908255 555582188 /nfs/dbraw/zinc/58/21/88/555582188.db2.gz TXOLFLCPXRFMAI-QGZVFWFLSA-N 0 0 428.554 4.187 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000944617 555587990 /nfs/dbraw/zinc/58/79/90/555587990.db2.gz SSTCVCUYKUTEFX-UHFFFAOYSA-N 0 0 442.957 4.094 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009589258 555592030 /nfs/dbraw/zinc/59/20/30/555592030.db2.gz CHEZHQWTRXBYMH-UHFFFAOYSA-N 0 0 426.460 4.441 50 0 IIAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OCC)C3=O)o2)cc1 ZINC000000981309 555593593 /nfs/dbraw/zinc/59/35/93/555593593.db2.gz PLGSNOPZQAGNMJ-RNEAKCBISA-N 0 0 443.477 4.111 50 0 IIAARN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OC(C)C ZINC000000981854 555593728 /nfs/dbraw/zinc/59/37/28/555593728.db2.gz PKLTYMMTYGEKMK-BTAWCLGRSA-N 0 0 427.906 4.124 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccccc1)CO[C@H](C(C)C)C2 ZINC000000985786 555594398 /nfs/dbraw/zinc/59/43/98/555594398.db2.gz ZMKPIAINRVCEQF-HNNXBMFYSA-N 0 0 432.567 4.149 50 0 IIAARN CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)cc1 ZINC000000987272 555594979 /nfs/dbraw/zinc/59/49/79/555594979.db2.gz NXSPFJJGTOXCEY-UHFFFAOYSA-N 0 0 443.455 4.098 50 0 IIAARN CC(=O)N1c2ccccc2[C@]2(CC(=O)N(Cc3ccccc3)C2=O)[C@@H]1/C=C/c1ccccc1 ZINC000000988066 555595380 /nfs/dbraw/zinc/59/53/80/555595380.db2.gz JTZMAMKZGJKUDE-XYFLVOAHSA-N 0 0 436.511 4.332 50 0 IIAARN COc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(C)cc3)c2)cc1OC ZINC000000991320 555596554 /nfs/dbraw/zinc/59/65/54/555596554.db2.gz QGOSWHCKFNCREI-UHFFFAOYSA-N 0 0 433.460 4.304 50 0 biogenic,in-vitro IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000997450 555599308 /nfs/dbraw/zinc/59/93/08/555599308.db2.gz KMOQILYLFZKRMB-UHFFFAOYSA-N 0 0 436.489 4.208 50 0 IIAARN Cn1cc(Br)c(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000001037588 555608665 /nfs/dbraw/zinc/60/86/65/555608665.db2.gz JTWQUFYQVVRJEY-UHFFFAOYSA-N 0 0 426.723 4.304 50 0 IIAARN CCOC(=O)c1sc(Sc2nnc(C(F)(F)F)n2C)c2c1CC(C)(C)CC2=O ZINC000001038377 555609126 /nfs/dbraw/zinc/60/91/26/555609126.db2.gz AKQZUOFOWOHCLX-UHFFFAOYSA-N 0 0 433.477 4.378 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000001042293 555610057 /nfs/dbraw/zinc/61/00/57/555610057.db2.gz COYNQCRZAVZOQY-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN O=S(=O)(NCc1ccc(F)cc1F)c1cc(Br)c(Br)s1 ZINC000001043508 555610611 /nfs/dbraw/zinc/61/06/11/555610611.db2.gz GNRGOCJWUUUBKW-UHFFFAOYSA-N 0 0 447.120 4.030 50 0 IIAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2ccccc2c1 ZINC000001049437 555612468 /nfs/dbraw/zinc/61/24/68/555612468.db2.gz RHMKQDYVYCWMMT-UHFFFAOYSA-N 0 0 444.578 4.205 50 0 IIAARN COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000001050125 555612688 /nfs/dbraw/zinc/61/26/88/555612688.db2.gz WEUFNPGLFIJPHP-UHFFFAOYSA-N 0 0 433.526 4.015 50 0 IIAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 ZINC000001066096 555618440 /nfs/dbraw/zinc/61/84/40/555618440.db2.gz MWZLACQEXMGYFS-UHFFFAOYSA-N 0 0 425.456 4.025 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccnc1 ZINC000001067693 555619288 /nfs/dbraw/zinc/61/92/88/555619288.db2.gz PWCYMQRHIRZXKJ-JOCHJYFZSA-N 0 0 427.287 4.396 50 0 IIAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1=S ZINC000001073443 555622500 /nfs/dbraw/zinc/62/25/00/555622500.db2.gz HFILXELWZRCRRW-QGZVFWFLSA-N 0 0 436.364 4.340 50 0 IIAARN CCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001075759 555623978 /nfs/dbraw/zinc/62/39/78/555623978.db2.gz OBQORVLLXUBHRG-UHFFFAOYSA-N 0 0 438.549 4.223 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1Br)N1c2cccc3cccc(c23)S1(=O)=O ZINC000001111025 555631766 /nfs/dbraw/zinc/63/17/66/555631766.db2.gz AIDINPFWWZLQCB-GFCCVEGCSA-N 0 0 431.311 4.138 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2cccc(Cl)c2)cc1 ZINC000001111604 555631951 /nfs/dbraw/zinc/63/19/51/555631951.db2.gz PPUCRMXPZJOVOC-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN Cc1ccc(S(=O)(=O)C(=CNc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001114233 555633451 /nfs/dbraw/zinc/63/34/51/555633451.db2.gz LGORYCADIADOBN-UHFFFAOYSA-N 0 0 427.547 4.462 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000001118742 555636123 /nfs/dbraw/zinc/63/61/23/555636123.db2.gz URGCNARHPINTAC-LJQANCHMSA-N 0 0 445.313 4.219 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001125750 555640513 /nfs/dbraw/zinc/64/05/13/555640513.db2.gz WZGGDLFPBQERCX-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(C)cc3C)n2)c(C)c1 ZINC000001125491 555640538 /nfs/dbraw/zinc/64/05/38/555640538.db2.gz YKHSJFUCRMQIJF-UHFFFAOYSA-N 0 0 433.508 4.350 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2cccc(Cl)c2)cc1 ZINC000001126072 555640729 /nfs/dbraw/zinc/64/07/29/555640729.db2.gz VJPLADPXASLNGL-UHFFFAOYSA-N 0 0 434.989 4.242 50 0 IIAARN Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001126145 555640787 /nfs/dbraw/zinc/64/07/87/555640787.db2.gz KDKDKTNNIMHWRJ-UHFFFAOYSA-N 0 0 436.942 4.250 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001136886 555647385 /nfs/dbraw/zinc/64/73/85/555647385.db2.gz BXBWIMXDLRHRRE-UHFFFAOYSA-N 0 0 444.516 4.452 50 0 IIAARN COc1ccc(CCNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC ZINC000001139657 555649109 /nfs/dbraw/zinc/64/91/09/555649109.db2.gz OMXKEZYBYXMYFM-UHFFFAOYSA-N 0 0 436.346 4.327 50 0 IIAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Br)c2)c1 ZINC000001142885 555651282 /nfs/dbraw/zinc/65/12/82/555651282.db2.gz IPIQZBOVJUNLBS-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN O=C(Oc1ccc(N(Cc2ccco2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1 ZINC000001147870 555654411 /nfs/dbraw/zinc/65/44/11/555654411.db2.gz YILQUWLPYQOVGG-UHFFFAOYSA-N 0 0 448.456 4.248 50 0 IIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000001150126 555655835 /nfs/dbraw/zinc/65/58/35/555655835.db2.gz VVZQLPQELVCVEY-PKNBQFBNSA-N 0 0 446.459 4.337 50 0 IIAARN COc1ccc(-n2c(=O)c(C(=O)Nc3cccc(F)c3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001151159 555656379 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444.940 4.491 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001171806 555667376 /nfs/dbraw/zinc/66/73/76/555667376.db2.gz PCUGAGVUFPOKIZ-UHFFFAOYSA-N 0 0 428.554 4.160 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(Br)c2)cc1C ZINC000001172910 555667890 /nfs/dbraw/zinc/66/78/90/555667890.db2.gz HHNVXOZDHBSZRD-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001173077 555668119 /nfs/dbraw/zinc/66/81/19/555668119.db2.gz FYEJFFHUDTXCCK-UHFFFAOYSA-N 0 0 436.577 4.432 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000001191319 555675810 /nfs/dbraw/zinc/67/58/10/555675810.db2.gz VIPVIMLMBKIKRG-IBGZPJMESA-N 0 0 426.498 4.180 50 0 IIAARN CCc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001193956 555676324 /nfs/dbraw/zinc/67/63/24/555676324.db2.gz QUNHUKIQPQNVJU-UHFFFAOYSA-N 0 0 436.577 4.411 50 0 IIAARN CCOC(=O)COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000001194220 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556344865 /nfs/dbraw/zinc/34/48/65/556344865.db2.gz HUWCTZCFTZFYEB-VWLOTQADSA-N 0 0 433.552 4.343 50 0 IIAARN Cc1cc(C(F)F)nn1[C@H](C)C(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(C)c21 ZINC000013960109 556347356 /nfs/dbraw/zinc/34/73/56/556347356.db2.gz QQSQUULTQWRPQB-MRVPVSSYSA-N 0 0 443.426 4.283 50 0 IIAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000013960922 556348324 /nfs/dbraw/zinc/34/83/24/556348324.db2.gz VXUNCRPYOWZCQH-UHFFFAOYSA-N 0 0 430.487 4.359 50 0 IIAARN CCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 ZINC000032786858 556350095 /nfs/dbraw/zinc/35/00/95/556350095.db2.gz XONNEDUMRNDIGP-UHFFFAOYSA-N 0 0 429.523 4.027 50 0 IIAARN CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000014009826 556354492 /nfs/dbraw/zinc/35/44/92/556354492.db2.gz PWQJRVKQHUVSBI-LZYBPNLTSA-N 0 0 449.276 4.088 50 0 IIAARN OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2nc(-c3ccccn3)no2)CC1 ZINC000011812788 556356497 /nfs/dbraw/zinc/35/64/97/556356497.db2.gz ZLKSUDXSNAHMOU-UHFFFAOYSA-N 0 0 426.520 4.280 50 0 IIAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CCc4cnccn4)C3)c2)c1 ZINC000011813759 556357068 /nfs/dbraw/zinc/35/70/68/556357068.db2.gz REBYUCQVHDFYNX-JOCHJYFZSA-N 0 0 428.536 4.262 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N(Cc1ccccc1F)C1CC1 ZINC000032795666 556357838 /nfs/dbraw/zinc/35/78/38/556357838.db2.gz DQDSCSIYHPIMCL-HNNXBMFYSA-N 0 0 431.305 4.132 50 0 IIAARN O=C(CN1CC=C(c2ccccc2)CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000014075363 556361406 /nfs/dbraw/zinc/36/14/06/556361406.db2.gz BSXXAEBCSZYXPR-UHFFFAOYSA-N 0 0 432.564 4.175 50 0 IIAARN COc1ccccc1[C@H]1CN(CCNC(=O)c2ccc(C(C)=O)cc2)Cc2ccccc2O1 ZINC000011841762 556365384 /nfs/dbraw/zinc/36/53/84/556365384.db2.gz RNIDQRKPBJTOLW-AREMUKBSSA-N 0 0 444.531 4.264 50 0 IIAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1cccc2nonc21 ZINC000011843851 556367070 /nfs/dbraw/zinc/36/70/70/556367070.db2.gz MYJZBKACISWWAP-QFIPXVFZSA-N 0 0 429.480 4.403 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)[C@@H](C)C1 ZINC000011844156 556367083 /nfs/dbraw/zinc/36/70/83/556367083.db2.gz ONIDARDNIMOZED-FQEVSTJZSA-N 0 0 425.536 4.139 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3n[nH]c(COc4ccccc4C)n3)c2C)no1 ZINC000014095446 556367197 /nfs/dbraw/zinc/36/71/97/556367197.db2.gz JFESEUHEBKMCGX-UHFFFAOYSA-N 0 0 437.525 4.371 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C ZINC000014095468 556367229 /nfs/dbraw/zinc/36/72/29/556367229.db2.gz HFDUSVDJKUKTPP-CZUORRHYSA-N 0 0 427.482 4.093 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nccs3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000014109953 556369122 /nfs/dbraw/zinc/36/91/22/556369122.db2.gz TYZSUMGANXELKW-TZIWHRDSSA-N 0 0 437.521 4.283 50 0 IIAARN Cn1cc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c2ccccc21 ZINC000011873440 556369756 /nfs/dbraw/zinc/36/97/56/556369756.db2.gz ULUAORSSZUZQBW-UHFFFAOYSA-N 0 0 445.498 4.244 50 0 IIAARN Cc1cc(CN(CC(=O)Nc2c(C)cccc2C)CC(=O)Nc2c(C)cccc2C)no1 ZINC000014110983 556369910 /nfs/dbraw/zinc/36/99/10/556369910.db2.gz KVHYPPZGGHVYJU-UHFFFAOYSA-N 0 0 434.540 4.296 50 0 IIAARN CCc1nc2cc(NC(C)=O)cc(C(=O)N(C)Cc3ccsc3)c2n1Cc1cccnc1 ZINC000011882280 556373720 /nfs/dbraw/zinc/37/37/20/556373720.db2.gz IQWSJQUMVMHHOH-UHFFFAOYSA-N 0 0 447.564 4.334 50 0 IIAARN C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000014129557 556374571 /nfs/dbraw/zinc/37/45/71/556374571.db2.gz VHYIBWMYDXSFCN-IBGZPJMESA-N 0 0 447.608 4.142 50 0 IIAARN COc1ccc(-c2ccc(C(=O)N[C@H](C)c3cnn(-c4ccccc4)c3C)c(=O)[nH]2)cc1 ZINC000011933786 556377397 /nfs/dbraw/zinc/37/73/97/556377397.db2.gz UACBHVJZZXNTPF-MRXNPFEDSA-N 0 0 428.492 4.036 50 0 IIAARN COc1cccc(-c2nc(COC(=O)[C@H](C)n3c(=O)oc4ccccc43)cs2)c1OC ZINC000014165797 556379366 /nfs/dbraw/zinc/37/93/66/556379366.db2.gz LNAIZYQDGDIBHS-ZDUSSCGKSA-N 0 0 440.477 4.040 50 0 IIAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1OCCc2ccccc21 ZINC000011965723 556381810 /nfs/dbraw/zinc/38/18/10/556381810.db2.gz QCXBMFQFPLBOQA-LBNVMWSVSA-N 0 0 442.559 4.242 50 0 IIAARN COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)=O ZINC000011970057 556382541 /nfs/dbraw/zinc/38/25/41/556382541.db2.gz KVEKUALCJSRUKD-RDPSFJRHSA-N 0 0 440.499 4.195 50 0 IIAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc(C)nc2C)cc1 ZINC000011996861 556384038 /nfs/dbraw/zinc/38/40/38/556384038.db2.gz NQLHSDOPRGMLKK-DEOSSOPVSA-N 0 0 431.565 4.272 50 0 IIAARN C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000014185161 556385213 /nfs/dbraw/zinc/38/52/13/556385213.db2.gz HZKIRUAIVPSXKK-DCFHFQCYSA-N 0 0 441.531 4.071 50 0 IIAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014196622 556388454 /nfs/dbraw/zinc/38/84/54/556388454.db2.gz NBEDBZOBJVGAQG-QGZVFWFLSA-N 0 0 439.002 4.336 50 0 IIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn32)c1Cl ZINC000014196636 556388486 /nfs/dbraw/zinc/38/84/86/556388486.db2.gz NCEXUDBPEJLJDT-CQSZACIVSA-N 0 0 425.341 4.179 50 0 IIAARN Cc1cc(C(=O)NC[C@@H]2Cc3cc(C)cc(-c4ccc5nc(C)ccc5c4)c3O2)n(C)n1 ZINC000012034271 556389123 /nfs/dbraw/zinc/38/91/23/556389123.db2.gz ODEZPWHNHSHLEX-NRFANRHFSA-N 0 0 426.520 4.294 50 0 IIAARN O=C(C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014198152 556389484 /nfs/dbraw/zinc/38/94/84/556389484.db2.gz YIQBISOGMGKCRD-ALOPSCKCSA-N 0 0 443.638 4.106 50 0 IIAARN CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014199665 556390339 /nfs/dbraw/zinc/39/03/39/556390339.db2.gz SEYRWHGYAGMQDO-NRFANRHFSA-N 0 0 440.540 4.038 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc(SC(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000014199854 556390585 /nfs/dbraw/zinc/39/05/85/556390585.db2.gz IVSKRNSALYUXAL-IBGZPJMESA-N 0 0 440.487 4.110 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000012058444 556395139 /nfs/dbraw/zinc/39/51/39/556395139.db2.gz OZIONQOWXGSMQD-QFIPXVFZSA-N 0 0 426.488 4.364 50 0 IIAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014240799 556401198 /nfs/dbraw/zinc/40/11/98/556401198.db2.gz LXKNDZSOFVEXJT-HXUWFJFHSA-N 0 0 440.590 4.055 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCSc2ccccc21 ZINC000014240607 556401264 /nfs/dbraw/zinc/40/12/64/556401264.db2.gz YIJKYIIWPNWUMK-UHFFFAOYSA-N 0 0 430.595 4.394 50 0 IIAARN Cc1nn(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c(=S)n1C1CCCCC1 ZINC000014242296 556402859 /nfs/dbraw/zinc/40/28/59/556402859.db2.gz BQYLRVICEQEAFV-SFHVURJKSA-N 0 0 429.638 4.383 50 0 IIAARN COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)ccc1OCc1ccccc1 ZINC000014244489 556404251 /nfs/dbraw/zinc/40/42/51/556404251.db2.gz GARFIOKPECEBLO-UHFFFAOYSA-N 0 0 434.517 4.248 50 0 IIAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000014246184 556406025 /nfs/dbraw/zinc/40/60/25/556406025.db2.gz ZGHZBGSEPVUWCZ-UHFFFAOYSA-N 0 0 447.969 4.080 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1[C@]1(c3ccccc3NC1=O)N1N=NN(c3ccccc3)C1=N2 ZINC000014246080 556406049 /nfs/dbraw/zinc/40/60/49/556406049.db2.gz MWNYLYISBNCJMH-VWLOTQADSA-N 0 0 446.474 4.482 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000014246460 556406337 /nfs/dbraw/zinc/40/63/37/556406337.db2.gz QYXMFJHTGWZKEW-QHCPKHFHSA-N 0 0 444.597 4.124 50 0 IIAARN COc1cc([C@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc(OC)c1O ZINC000032593620 556407197 /nfs/dbraw/zinc/40/71/97/556407197.db2.gz DLIMRLDIOJJIOA-QFIPXVFZSA-N 0 0 445.475 4.148 50 0 IIAARN COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1 ZINC000014249830 556408352 /nfs/dbraw/zinc/40/83/52/556408352.db2.gz OIGFUKWHQLAFEB-MRXNPFEDSA-N 0 0 427.522 4.169 50 0 IIAARN O=C(CSc1nnnn1C1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032824038 556408800 /nfs/dbraw/zinc/40/88/00/556408800.db2.gz FFGJRHBGNMEGBN-UHFFFAOYSA-N 0 0 442.614 4.286 50 0 IIAARN COc1ccccc1CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000014253697 556410181 /nfs/dbraw/zinc/41/01/81/556410181.db2.gz BGZLWXPPNMUNCG-UHFFFAOYSA-N 0 0 433.533 4.149 50 0 IIAARN COCc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)sc2cccc(F)c21 ZINC000014254204 556410400 /nfs/dbraw/zinc/41/04/00/556410400.db2.gz DGOBJHBUVJRTKE-UHFFFAOYSA-N 0 0 439.512 4.307 50 0 IIAARN Cc1cccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)c1C ZINC000032623416 556410449 /nfs/dbraw/zinc/41/04/49/556410449.db2.gz OZSMIMCQJUXPIW-UHFFFAOYSA-N 0 0 434.876 4.079 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN([C@H](C)c4nc(-c5ccc(C)cc5)no4)CC3)n2)cc1 ZINC000032825498 556410864 /nfs/dbraw/zinc/41/08/64/556410864.db2.gz GREBMLJTCPIGRM-LJQANCHMSA-N 0 0 444.539 4.282 50 0 IIAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCOCC2)cc1 ZINC000032624321 556411178 /nfs/dbraw/zinc/41/11/78/556411178.db2.gz UGASOVSHGWQDDE-RUZDIDTESA-N 0 0 445.563 4.332 50 0 IIAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000014370376 556414992 /nfs/dbraw/zinc/41/49/92/556414992.db2.gz WUNMWIXLGRLNRH-LJQANCHMSA-N 0 0 446.576 4.231 50 0 IIAARN COCCn1c2ccc(Cl)cc2nc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032672271 556415095 /nfs/dbraw/zinc/41/50/95/556415095.db2.gz SAOOLXBVEBKYTD-GFCCVEGCSA-N 0 0 433.917 4.184 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 ZINC000012940276 556416481 /nfs/dbraw/zinc/41/64/81/556416481.db2.gz XRPOEWCLARGICW-QHCPKHFHSA-N 0 0 442.519 4.474 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000012972954 556419341 /nfs/dbraw/zinc/41/93/41/556419341.db2.gz PJXYESUQJOQFPK-OAHLLOKOSA-N 0 0 436.430 4.260 50 0 IIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012975742 556421382 /nfs/dbraw/zinc/42/13/82/556421382.db2.gz PAFIRWWFJJHLTJ-UHFFFAOYSA-N 0 0 425.341 4.142 50 0 IIAARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NCCc1ccccc1 ZINC000012975973 556421579 /nfs/dbraw/zinc/42/15/79/556421579.db2.gz BGARYBGSLZAADB-QGZVFWFLSA-N 0 0 427.566 4.298 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000014578374 556427647 /nfs/dbraw/zinc/42/76/47/556427647.db2.gz SBRSREDMTOALSC-UHFFFAOYSA-N 0 0 442.459 4.141 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)cc12 ZINC000032842068 556427668 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O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(C2CC2)nc2c1nc1n2CCCCC1 ZINC000013003144 556434223 /nfs/dbraw/zinc/43/42/23/556434223.db2.gz VJDBNKYODWAZOV-UHFFFAOYSA-N 0 0 429.524 4.180 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000014730751 556436815 /nfs/dbraw/zinc/43/68/15/556436815.db2.gz RFXSTHLMVHHORC-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN COc1ccc(-n2c(SCC(=O)c3ccccc3OC)nc3ccccc3c2=O)cc1 ZINC000013014323 556437004 /nfs/dbraw/zinc/43/70/04/556437004.db2.gz MVXXKRKJAMYNMC-UHFFFAOYSA-N 0 0 432.501 4.378 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(NCC(C)C)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014750280 556443345 /nfs/dbraw/zinc/44/33/45/556443345.db2.gz KENFXSOAXKTOCS-NVXWUHKLSA-N 0 0 430.549 4.054 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc32)c1 ZINC000013039137 556445096 /nfs/dbraw/zinc/44/50/96/556445096.db2.gz FGLCTBRRIVMVSQ-GOSISDBHSA-N 0 0 431.536 4.008 50 0 IIAARN O=C(COC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)Nc1ccc(C(F)(F)F)cc1 ZINC000072272984 556446346 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CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OC)N(C(C)=O)c1ccccc1-2 ZINC000032997265 556551076 /nfs/dbraw/zinc/55/10/76/556551076.db2.gz LWCSUKRCKDWJBL-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN Cc1cc(N(Cc2coc(-c3ccccc3)n2)S(=O)(=O)c2ccc(Cl)nc2)no1 ZINC000032906133 556551877 /nfs/dbraw/zinc/55/18/77/556551877.db2.gz JNBSXPYYFILOGS-UHFFFAOYSA-N 0 0 430.873 4.082 50 0 IIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3ccc(C)c(F)c3)nn12 ZINC000033115065 556554278 /nfs/dbraw/zinc/55/42/78/556554278.db2.gz SIPMADZIWLHMTF-UHFFFAOYSA-N 0 0 441.466 4.101 50 0 IIAARN C[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000033115175 556554585 /nfs/dbraw/zinc/55/45/85/556554585.db2.gz AFGFVLWESPODJH-LJQANCHMSA-N 0 0 442.563 4.306 50 0 IIAARN CCc1cccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4)c4cc(C)ccc4n3n2)c1 ZINC000033274394 556558527 /nfs/dbraw/zinc/55/85/27/556558527.db2.gz MMZGDITZQRTUCX-UHFFFAOYSA-N 0 0 437.503 4.216 50 0 IIAARN Brc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 ZINC000015866482 556559174 /nfs/dbraw/zinc/55/91/74/556559174.db2.gz MVSLUSJVJSRLCI-LSDHHAIUSA-N 0 0 435.123 4.344 50 0 IIAARN Brc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 ZINC000015866481 556559192 /nfs/dbraw/zinc/55/91/92/556559192.db2.gz MVSLUSJVJSRLCI-GJZGRUSLSA-N 0 0 435.123 4.344 50 0 IIAARN O=C(c1c(C(F)(F)F)n[nH]c1C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000072306832 556560587 /nfs/dbraw/zinc/56/05/87/556560587.db2.gz IAXRMOHSCIXXMM-UHFFFAOYSA-N 0 0 426.748 4.063 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-n1cccc1 ZINC000015881955 556560877 /nfs/dbraw/zinc/56/08/77/556560877.db2.gz HILGQEDZEPJFBJ-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN C[C@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000072306942 556561002 /nfs/dbraw/zinc/56/10/02/556561002.db2.gz QGYFLIUYJAFTAY-BTYIYWSLSA-N 0 0 445.357 4.235 50 0 IIAARN Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000015895829 556562230 /nfs/dbraw/zinc/56/22/30/556562230.db2.gz MTALAWSONLTDED-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)c2c1C ZINC000032960401 556567117 /nfs/dbraw/zinc/56/71/17/556567117.db2.gz UCZNSDNYFKXOGK-HXUWFJFHSA-N 0 0 436.556 4.468 50 0 IIAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CNCc1ccco1)CCCC2 ZINC000015946873 556567768 /nfs/dbraw/zinc/56/77/68/556567768.db2.gz SSNMQXWMVATSAR-UHFFFAOYSA-N 0 0 439.537 4.209 50 0 IIAARN O=C(Cc1noc(CN(c2ccccc2)C2Cc3ccccc3C2)n1)NCc1ccccc1 ZINC000072309006 556569080 /nfs/dbraw/zinc/56/90/80/556569080.db2.gz SINRKTFHEWPXAU-UHFFFAOYSA-N 0 0 438.531 4.103 50 0 IIAARN CC[C@@H](Sc1nnc(NC(=O)c2ccccc2Cl)s1)C(=O)Nc1nccs1 ZINC000002848170 556572653 /nfs/dbraw/zinc/57/26/53/556572653.db2.gz OJBYFKPCRMSSFP-LLVKDONJSA-N 0 0 439.975 4.410 50 0 IIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000016001264 556572686 /nfs/dbraw/zinc/57/26/86/556572686.db2.gz UZDKQTNZQNJWTB-UHFFFAOYSA-N 0 0 439.581 4.135 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3C2=O)c1 ZINC000016019864 556574794 /nfs/dbraw/zinc/57/47/94/556574794.db2.gz FQABSZYSAQKTSQ-UHFFFAOYSA-N 0 0 428.444 4.128 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002228683 556574861 /nfs/dbraw/zinc/57/48/61/556574861.db2.gz TZVMGQHYKZQKII-HOSYDEDBSA-N 0 0 434.871 4.167 50 0 IIAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(OC)c3OC)N2C1=O ZINC000002496356 556575138 /nfs/dbraw/zinc/57/51/38/556575138.db2.gz HONZJKPUWITUTD-UGKGYDQZSA-N 0 0 433.508 4.264 50 0 IIAARN O=C(Cc1csc(-c2nc[nH]n2)n1)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310796 556577001 /nfs/dbraw/zinc/57/70/01/556577001.db2.gz PHGOXPWGUWFEKY-GFCCVEGCSA-N 0 0 436.337 4.336 50 0 IIAARN Cc1nc(SCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c(C(N)=O)c(C)c1C ZINC000032909935 556578086 /nfs/dbraw/zinc/57/80/86/556578086.db2.gz GHLIRXROJBMNBX-UHFFFAOYSA-N 0 0 445.548 4.175 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@H](C)C3CC3)c2)cc1 ZINC000016051090 556581427 /nfs/dbraw/zinc/58/14/27/556581427.db2.gz WMVAOOKZOQYXGR-QGZVFWFLSA-N 0 0 438.553 4.240 50 0 IIAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011103061 556587520 /nfs/dbraw/zinc/58/75/20/556587520.db2.gz NNPRUBGGMICIPT-UHFFFAOYSA-N 0 0 435.471 4.318 50 0 IIAARN Cc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000016225996 556592397 /nfs/dbraw/zinc/59/23/97/556592397.db2.gz BKJXBKZLNBWIMT-UHFFFAOYSA-N 0 0 435.299 4.404 50 0 IIAARN CN(Cc1cccc(Cl)c1Cl)CN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000016352446 556602313 /nfs/dbraw/zinc/60/23/13/556602313.db2.gz QZDAUDVVBBVVNH-UHFFFAOYSA-N 0 0 428.113 4.375 50 0 IIAARN O=C1NC2(CCCCCCC2)C(=O)N1CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000016358609 556602349 /nfs/dbraw/zinc/60/23/49/556602349.db2.gz DRNFWQGNYKLLML-KRWDZBQOSA-N 0 0 426.586 4.468 50 0 IIAARN CCOc1cc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)ccc1OC ZINC000032984086 556603245 /nfs/dbraw/zinc/60/32/45/556603245.db2.gz JVPLYMKAQWYSOD-ZMOGYAJESA-N 0 0 444.487 4.396 50 0 IIAARN O=C(NCCCn1ccnc1)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000016392508 556604776 /nfs/dbraw/zinc/60/47/76/556604776.db2.gz PTUSWPNVCDWULI-UHFFFAOYSA-N 0 0 436.313 4.076 50 0 IIAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000032986718 556606518 /nfs/dbraw/zinc/60/65/18/556606518.db2.gz SFDTWWLZDXYMMQ-UHFFFAOYSA-N 0 0 431.536 4.351 50 0 IIAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000016448210 556608440 /nfs/dbraw/zinc/60/84/40/556608440.db2.gz WQQWLJIYQWDQMB-KRWDZBQOSA-N 0 0 434.279 4.047 50 0 IIAARN COc1ccccc1CNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995206 556610462 /nfs/dbraw/zinc/61/04/62/556610462.db2.gz MEXBXRJCDNTAKY-UHFFFAOYSA-N 0 0 444.944 4.092 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1 ZINC000032996491 556611793 /nfs/dbraw/zinc/61/17/93/556611793.db2.gz XNJQEWIMXMLVMR-GOSISDBHSA-N 0 0 433.512 4.343 50 0 IIAARN CCNc1nc(SCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)nc2ccccc21 ZINC000011110256 556611824 /nfs/dbraw/zinc/61/18/24/556611824.db2.gz ANAHPXJEGAJCBR-AWEZNQCLSA-N 0 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COc1ccc(-c2noc(CCC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)n2)cc1OC ZINC000409415018 556641683 /nfs/dbraw/zinc/64/16/83/556641683.db2.gz RBFITWSAWZEGMQ-IBGZPJMESA-N 0 0 446.507 4.362 50 0 IIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726574 556647361 /nfs/dbraw/zinc/64/73/61/556647361.db2.gz QKZLYFHBXMAYOV-CQSZACIVSA-N 0 0 441.553 4.198 50 0 IIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902986 556648840 /nfs/dbraw/zinc/64/88/40/556648840.db2.gz VYAGGHSMRAPDJO-IFMALSPDSA-N 0 0 441.531 4.305 50 0 IIAARN C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000016942683 556649682 /nfs/dbraw/zinc/64/96/82/556649682.db2.gz LCMSNCNTCSOFOZ-ZDUSSCGKSA-N 0 0 441.944 4.165 50 0 IIAARN Cc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1Cl ZINC000011758476 556652977 /nfs/dbraw/zinc/65/29/77/556652977.db2.gz INXFYNVBOQEARU-UHFFFAOYSA-N 0 0 442.907 4.101 50 0 IIAARN Fc1ccc(Cn2nnc3c2ncnc3SCc2ccc(Br)cc2)cc1 ZINC000011758504 556653025 /nfs/dbraw/zinc/65/30/25/556653025.db2.gz ZALDEKNACQZAOH-UHFFFAOYSA-N 0 0 430.306 4.464 50 0 IIAARN COc1ccc(C(=O)Nc2cc(=O)[nH]c3nc(-c4ccc(C(C)(C)C)cc4)nn32)cc1OC ZINC000017017115 556653315 /nfs/dbraw/zinc/65/33/15/556653315.db2.gz NNIQOQDRSFAKIH-UHFFFAOYSA-N 0 0 447.495 4.064 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc(Cn2c3cc(C)c(C)cc3nc(C)c2=O)cc1 ZINC000033006018 556655301 /nfs/dbraw/zinc/65/53/01/556655301.db2.gz XHHXFFXVZSVQNJ-UHFFFAOYSA-N 0 0 441.531 4.309 50 0 IIAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000032926723 556655707 /nfs/dbraw/zinc/65/57/07/556655707.db2.gz BETHPUUQEOMWES-UHFFFAOYSA-N 0 0 442.357 4.115 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2OC)s1 ZINC000033007909 556656737 /nfs/dbraw/zinc/65/67/37/556656737.db2.gz BKRLWRRKMHPBSJ-UHFFFAOYSA-N 0 0 433.555 4.379 50 0 IIAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000017095726 556659307 /nfs/dbraw/zinc/65/93/07/556659307.db2.gz BQGCTWRHHJMNTN-UHFFFAOYSA-N 0 0 428.341 4.191 50 0 IIAARN C[C@H]1CCc2c(sc3ncn4nc(-c5cc(-c6ccc7c(c6)OCO7)[nH]n5)nc4c23)C1 ZINC000017096917 556660715 /nfs/dbraw/zinc/66/07/15/556660715.db2.gz UMSHOVJZUFOZIY-NSHDSACASA-N 0 0 430.493 4.250 50 0 IIAARN O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(F)c1F ZINC000017097433 556661699 /nfs/dbraw/zinc/66/16/99/556661699.db2.gz ZGZZDZNGJHZQTM-VIZOYTHASA-N 0 0 431.395 4.260 50 0 IIAARN Cc1sc(I)c(Br)c1I ZINC000043827708 556665286 /nfs/dbraw/zinc/66/52/86/556665286.db2.gz XBAGZXADGJIDLT-UHFFFAOYSA-N 0 0 428.858 4.028 50 0 IIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2Cl)C1 ZINC000044122813 556665814 /nfs/dbraw/zinc/66/58/14/556665814.db2.gz JIDZJTLPNGYJFY-WNKDZCFJSA-N 0 0 427.010 4.125 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1C ZINC000017101924 556666287 /nfs/dbraw/zinc/66/62/87/556666287.db2.gz MJBFACYHTGLLNQ-UHFFFAOYSA-N 0 0 438.322 4.251 50 0 IIAARN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1 ZINC000017106097 556667587 /nfs/dbraw/zinc/66/75/87/556667587.db2.gz GFBWAGFCENOVGK-INIZCTEOSA-N 0 0 435.553 4.129 50 0 IIAARN COc1cc(OC)cc([C@@H]2[C@H](Oc3ccc(F)c(Cl)c3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000248147185 556669010 /nfs/dbraw/zinc/66/90/10/556669010.db2.gz XPLOMJYWDYCODW-LPTQZCDUSA-N 0 0 435.879 4.006 50 0 IIAARN Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000011904323 556669834 /nfs/dbraw/zinc/66/98/34/556669834.db2.gz QAKILPABNCKVKV-UHFFFAOYSA-N 0 0 444.310 4.464 50 0 IIAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)NCc1ccc(F)cc1 ZINC000017191623 556672326 /nfs/dbraw/zinc/67/23/26/556672326.db2.gz KDLPYONINKWTFC-UHFFFAOYSA-N 0 0 448.523 4.274 50 0 IIAARN CCCOc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1OCCC ZINC000011915568 556674430 /nfs/dbraw/zinc/67/44/30/556674430.db2.gz NTZTWRBUDYKTOL-FQEVSTJZSA-N 0 0 439.468 4.093 50 0 IIAARN O=C(CS(=O)(=O)Cc1ccccc1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 ZINC000010620223 556675725 /nfs/dbraw/zinc/67/57/25/556675725.db2.gz VRSCENHNUIFQER-UHFFFAOYSA-N 0 0 444.509 4.177 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017987390 556680885 /nfs/dbraw/zinc/68/08/85/556680885.db2.gz GWDYMXIQIXUHKC-ROUUACIJSA-N 0 0 428.282 4.348 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)nc3c1CCC3)C[C@@H](C)CC2 ZINC000012016830 556681383 /nfs/dbraw/zinc/68/13/83/556681383.db2.gz XRBPNFDYHZZSLS-LBPRGKRZSA-N 0 0 445.610 4.368 50 0 IIAARN CC1(C)CC(=O)c2c(nc(N3CCN(c4ccccn4)CC3)nc2Nc2ccccc2)C1 ZINC000018156328 556685572 /nfs/dbraw/zinc/68/55/72/556685572.db2.gz QIKPCCNNTWDJKY-UHFFFAOYSA-N 0 0 428.540 4.097 50 0 IIAARN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)cc1 ZINC000033020747 556685821 /nfs/dbraw/zinc/68/58/21/556685821.db2.gz RJPZLMRRKFNQIL-REWPJTCUSA-N 0 0 435.616 4.369 50 0 IIAARN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N3C)c2C)cc1 ZINC000002061648 556686170 /nfs/dbraw/zinc/68/61/70/556686170.db2.gz NRGSCJVECVJMDO-XSFVSMFZSA-N 0 0 425.554 4.081 50 0 IIAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@H](C)c1nc4ccccc4n1C(F)F)(C3)C2 ZINC000010637969 556686359 /nfs/dbraw/zinc/68/63/59/556686359.db2.gz ZLMCXFLOFAXXFO-DGSWBCODSA-N 0 0 444.526 4.126 50 0 IIAARN CCc1cc2c(nc(S[C@H]3CCCCNC3=O)n(CCc3ccccc3)c2=O)s1 ZINC000011120034 556687906 /nfs/dbraw/zinc/68/79/06/556687906.db2.gz KVKPIUGSIIINPI-SFHVURJKSA-N 0 0 427.595 4.024 50 0 IIAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000018247070 556688238 /nfs/dbraw/zinc/68/82/38/556688238.db2.gz XMELEKRXAGYRQJ-HDICACEKSA-N 0 0 428.282 4.348 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 ZINC000033023763 556693856 /nfs/dbraw/zinc/69/38/56/556693856.db2.gz HXMDWIUEIBJQJZ-UHFFFAOYSA-N 0 0 430.913 4.331 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NC3CCCCCC3)CC2)c1C ZINC000033024103 556694506 /nfs/dbraw/zinc/69/45/06/556694506.db2.gz OUNRFSBWISTQCH-INIZCTEOSA-N 0 0 445.604 4.136 50 0 IIAARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc21 ZINC000013610241 556702555 /nfs/dbraw/zinc/70/25/55/556702555.db2.gz RVIOCDIGEJASPK-UHFFFAOYSA-N 0 0 436.533 4.230 50 0 IIAARN Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCCC(C)C)c3)s2)c1 ZINC000033027384 556706351 /nfs/dbraw/zinc/70/63/51/556706351.db2.gz GBNYKLHLJWXRIV-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN Cc1n[nH]cc1CCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000060343973 556714190 /nfs/dbraw/zinc/71/41/90/556714190.db2.gz IDPLEWYKSBYGAC-UHFFFAOYSA-N 0 0 445.367 4.304 50 0 IIAARN COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(Cc3cccnc3)CO4)c2=O)cc1 ZINC000013735258 556721921 /nfs/dbraw/zinc/72/19/21/556721921.db2.gz WELAATISSDWKNT-UHFFFAOYSA-N 0 0 444.443 4.119 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1CCc1cccs1 ZINC000005191520 556723430 /nfs/dbraw/zinc/72/34/30/556723430.db2.gz JLNTWMAQTJGJOP-WNSKOXEYSA-N 0 0 427.570 4.093 50 0 IIAARN CCN(c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)C(C)C ZINC000005200443 556724324 /nfs/dbraw/zinc/72/43/24/556724324.db2.gz YICNKTRSLUHFDO-UHFFFAOYSA-N 0 0 429.586 4.348 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC ZINC000072328206 556724445 /nfs/dbraw/zinc/72/44/45/556724445.db2.gz HIBNDEVCQHDYKG-LBPRGKRZSA-N 0 0 430.302 4.347 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1OC ZINC000072329074 556726692 /nfs/dbraw/zinc/72/66/92/556726692.db2.gz VJTGJPCIIHJVGM-LBPRGKRZSA-N 0 0 430.302 4.347 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1OC ZINC000072329075 556726704 /nfs/dbraw/zinc/72/67/04/556726704.db2.gz VJTGJPCIIHJVGM-GFCCVEGCSA-N 0 0 430.302 4.347 50 0 IIAARN CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(CSc2ccc(F)cc2)cc1 ZINC000071289262 556727026 /nfs/dbraw/zinc/72/70/26/556727026.db2.gz SATGPCGEPXMSHF-HXUWFJFHSA-N 0 0 439.574 4.374 50 0 IIAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C ZINC000011141192 556728360 /nfs/dbraw/zinc/72/83/60/556728360.db2.gz QVGZLYDPLUJQFP-OAQYLSRUSA-N 0 0 427.932 4.168 50 0 IIAARN O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000054254400 556729439 /nfs/dbraw/zinc/72/94/39/556729439.db2.gz BCKGDDBHGFAARB-UHFFFAOYSA-N 0 0 446.576 4.432 50 0 IIAARN CN1CCN(CC(=O)N2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019316049 556735892 /nfs/dbraw/zinc/73/58/92/556735892.db2.gz HUSWUBDMYRAXRD-VWLOTQADSA-N 0 0 434.628 4.156 50 0 IIAARN CCOc1ccccc1CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000033048932 556746088 /nfs/dbraw/zinc/74/60/88/556746088.db2.gz XYHKVHFZPLUJFZ-UHFFFAOYSA-N 0 0 447.922 4.432 50 0 IIAARN NC(=O)CCN(C(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000057991987 556750843 /nfs/dbraw/zinc/75/08/43/556750843.db2.gz MZOXBANCCUOZDT-LJQANCHMSA-N 0 0 438.330 4.178 50 0 IIAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCC(=O)N(C1=CCCCC1)C1CC1 ZINC000011156333 556752278 /nfs/dbraw/zinc/75/22/78/556752278.db2.gz LSKIANIBVLQBIU-GOSISDBHSA-N 0 0 434.945 4.135 50 0 IIAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000058067022 556756576 /nfs/dbraw/zinc/75/65/76/556756576.db2.gz TWOXQEBYHBRWQW-HXUWFJFHSA-N 0 0 445.445 4.264 50 0 IIAARN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000058077555 556756580 /nfs/dbraw/zinc/75/65/80/556756580.db2.gz UOSJNKLSPIFUFQ-JOCHJYFZSA-N 0 0 436.487 4.036 50 0 IIAARN CC(=O)c1ccc(N2CCN(Cn3nc4cc(C)c5ccccc5n4c3=S)CC2)cc1 ZINC000058123281 556759456 /nfs/dbraw/zinc/75/94/56/556759456.db2.gz YCAVBZXRLBBQHE-UHFFFAOYSA-N 0 0 431.565 4.309 50 0 IIAARN Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000011168185 556760497 /nfs/dbraw/zinc/76/04/97/556760497.db2.gz IECKWTVGHUQOJO-UHFFFAOYSA-N 0 0 427.298 4.064 50 0 IIAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ncccc2OCC2CCCCC2)cc1 ZINC000058145341 556761410 /nfs/dbraw/zinc/76/14/10/556761410.db2.gz YZILNGDPNWLEQP-XOVFHRFOSA-N 0 0 437.540 4.206 50 0 IIAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O ZINC000005306778 556762932 /nfs/dbraw/zinc/76/29/32/556762932.db2.gz JZVRJXDDCZJEPW-DEOSSOPVSA-N 0 0 425.504 4.399 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(C3CC3)s1)C(=O)OC2 ZINC000062001383 556764382 /nfs/dbraw/zinc/76/43/82/556764382.db2.gz UJOCDGPCTUYAFG-NYYWCZLTSA-N 0 0 443.525 4.016 50 0 biogenic IIAARN CS(=O)(=O)CCOc1cccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000058161267 556765177 /nfs/dbraw/zinc/76/51/77/556765177.db2.gz IHZYEYATVHSGNZ-UHFFFAOYSA-N 0 0 443.496 4.080 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3ccsc3c2=O)cc1 ZINC000206598393 556770441 /nfs/dbraw/zinc/77/04/41/556770441.db2.gz MWOXZBQREHCBHR-UHFFFAOYSA-N 0 0 437.546 4.495 50 0 IIAARN Cn1c2ccccc2nc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000058203014 556771403 /nfs/dbraw/zinc/77/14/03/556771403.db2.gz BDIQBVLTDYVACY-HXUWFJFHSA-N 0 0 429.904 4.434 50 0 IIAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000058245323 556775042 /nfs/dbraw/zinc/77/50/42/556775042.db2.gz LARHPHCHQSIDHN-UHFFFAOYSA-N 0 0 433.508 4.160 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)cc1 ZINC000058282267 556777488 /nfs/dbraw/zinc/77/74/88/556777488.db2.gz ZHCDOWWCKWTOHN-KOSHJBKYSA-N 0 0 433.614 4.022 50 0 IIAARN CCOC(=O)c1sc(NC(=O)[C@](C)(NC(C)=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000058305125 556778877 /nfs/dbraw/zinc/77/88/77/556778877.db2.gz VOCJRTWHLLOROG-LJQANCHMSA-N 0 0 442.459 4.242 50 0 IIAARN O=C(c1cccn1Cc1ccncc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000058342106 556781884 /nfs/dbraw/zinc/78/18/84/556781884.db2.gz BXFHDDWCTNAWJJ-UHFFFAOYSA-N 0 0 436.559 4.479 50 0 IIAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N(Cc1ccco1)c1ccncc1 ZINC000058344263 556782209 /nfs/dbraw/zinc/78/22/09/556782209.db2.gz LZPUIMIPWWVZKL-UHFFFAOYSA-N 0 0 437.455 4.318 50 0 IIAARN O=C(Oc1ccccc1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000058416950 556787063 /nfs/dbraw/zinc/78/70/63/556787063.db2.gz LNLKILYPYUYMMR-UHFFFAOYSA-N 0 0 443.341 4.214 50 0 IIAARN CCOc1ccccc1N1CCN(Cn2nc(-c3cccs3)n(CC)c2=S)CC1 ZINC000058448493 556789090 /nfs/dbraw/zinc/78/90/90/556789090.db2.gz ZMPGQBYTZMIMDX-UHFFFAOYSA-N 0 0 429.615 4.341 50 0 IIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000058952728 556793444 /nfs/dbraw/zinc/79/34/44/556793444.db2.gz VNQJKDBQNODSFB-CQSZACIVSA-N 0 0 442.972 4.322 50 0 IIAARN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 ZINC000059357768 556798586 /nfs/dbraw/zinc/79/85/86/556798586.db2.gz RKNJFFVHHOXWJC-INIZCTEOSA-N 0 0 441.503 4.071 50 0 IIAARN O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CCCCCCC1 ZINC000005428555 556800713 /nfs/dbraw/zinc/80/07/13/556800713.db2.gz XTAXSLFMLJQVPJ-QFIPXVFZSA-N 0 0 425.573 4.165 50 0 IIAARN Cc1cc(C(=O)COC(=O)C=Cc2cccs2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002635486 556801230 /nfs/dbraw/zinc/80/12/30/556801230.db2.gz PKJHCAIXORAXMF-BBVFFXRHSA-N 0 0 437.517 4.446 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000002635812 556801300 /nfs/dbraw/zinc/80/13/00/556801300.db2.gz BPPJQMCGAIYJBD-XBXARRHUSA-N 0 0 444.217 4.108 50 0 IIAARN CCc1cc2c(nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c2=O)s1 ZINC000002651152 556802250 /nfs/dbraw/zinc/80/22/50/556802250.db2.gz OUUFDVYGPJVQNV-UHFFFAOYSA-N 0 0 439.562 4.070 50 0 IIAARN C[C@@H](c1ccccc1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002654744 556802449 /nfs/dbraw/zinc/80/24/49/556802449.db2.gz LGSOCOBJDBOWJA-SFHVURJKSA-N 0 0 429.545 4.414 50 0 IIAARN C[C@H](c1ccccc1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002654745 556802494 /nfs/dbraw/zinc/80/24/94/556802494.db2.gz LGSOCOBJDBOWJA-GOSISDBHSA-N 0 0 429.545 4.414 50 0 IIAARN COc1ccc(C)cc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002655446 556802536 /nfs/dbraw/zinc/80/25/36/556802536.db2.gz CVYVCTDVTFCBLF-UHFFFAOYSA-N 0 0 445.544 4.111 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)/C=C/c1ccco1 ZINC000003289671 556808877 /nfs/dbraw/zinc/80/88/77/556808877.db2.gz OPLGXGQHCURRLD-ZHACJKMWSA-N 0 0 425.462 4.380 50 0 IIAARN Cc1ccc(C(=O)[C@@H](OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 ZINC000003319524 556810236 /nfs/dbraw/zinc/81/02/36/556810236.db2.gz YPYRXXJRLBWSFQ-UUOWRZLLSA-N 0 0 441.483 4.455 50 0 IIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003325145 556810357 /nfs/dbraw/zinc/81/03/57/556810357.db2.gz JABGKAVLODEOQA-NYUWMOHMSA-N 0 0 427.497 4.421 50 0 IIAARN CC[C@@H]1CN(CC(=O)NCc2cc(Br)ccc2OC)c2ccccc2S1 ZINC000033059379 556813759 /nfs/dbraw/zinc/81/37/59/556813759.db2.gz RTXHKGOWBPCJBU-MRXNPFEDSA-N 0 0 435.387 4.465 50 0 IIAARN CCCCOc1ccc(CNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033060295 556816699 /nfs/dbraw/zinc/81/66/99/556816699.db2.gz XIOMSBKSKULZEX-UHFFFAOYSA-N 0 0 428.489 4.038 50 0 IIAARN COc1cc(NC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc(OC)c1 ZINC000033061432 556817008 /nfs/dbraw/zinc/81/70/08/556817008.db2.gz PJTPCSVXOXTAPX-UHFFFAOYSA-N 0 0 446.916 4.032 50 0 IIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000005493744 556818539 /nfs/dbraw/zinc/81/85/39/556818539.db2.gz QHUDJJHTJBFYFA-KKSFZXQISA-N 0 0 447.000 4.396 50 0 IIAARN O=C(Nc1ccccc1)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063317 556818730 /nfs/dbraw/zinc/81/87/30/556818730.db2.gz SLDJRDFUBUXHMT-LJQANCHMSA-N 0 0 447.438 4.360 50 0 IIAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(Cl)cc3)nc12 ZINC000033067849 556820122 /nfs/dbraw/zinc/82/01/22/556820122.db2.gz BPXBMJRDGXNZTE-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000033068315 556822067 /nfs/dbraw/zinc/82/20/67/556822067.db2.gz XRYALDLYGLYMMD-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN COc1cc(NC(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc(OC)c1OC ZINC000206635870 556823358 /nfs/dbraw/zinc/82/33/58/556823358.db2.gz OKCZPSICFNEDIA-ZDUSSCGKSA-N 0 0 444.513 4.235 50 0 IIAARN CCCOc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005556710 556824934 /nfs/dbraw/zinc/82/49/34/556824934.db2.gz FDYBEGUCKZIUSH-NRFANRHFSA-N 0 0 429.582 4.428 50 0 IIAARN COC(=O)c1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000064591750 556825449 /nfs/dbraw/zinc/82/54/49/556825449.db2.gz GNCKIYZNKQPMNT-UHFFFAOYSA-N 0 0 446.463 4.100 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064662051 556825953 /nfs/dbraw/zinc/82/59/53/556825953.db2.gz VBPLSDDPHUXCRZ-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662100 556825979 /nfs/dbraw/zinc/82/59/79/556825979.db2.gz IGTUXFHWOBETJE-DEOSSOPVSA-N 0 0 437.565 4.185 50 0 IIAARN COc1cc(OC)cc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)c1 ZINC000064949773 556829338 /nfs/dbraw/zinc/82/93/38/556829338.db2.gz FKGBBACNSROSEL-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000065002716 556831046 /nfs/dbraw/zinc/83/10/46/556831046.db2.gz WGMMJSLKVOSPGA-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(Cl)s4)cc32)cc1 ZINC000065003123 556831197 /nfs/dbraw/zinc/83/11/97/556831197.db2.gz UMGRPHWEHBNJLO-UHFFFAOYSA-N 0 0 446.981 4.391 50 0 IIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000065003018 556831236 /nfs/dbraw/zinc/83/12/36/556831236.db2.gz AMSCKFCZBGFGMI-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000019619099 556831579 /nfs/dbraw/zinc/83/15/79/556831579.db2.gz HORMVKZUXSYPSQ-ZDUSSCGKSA-N 0 0 440.477 4.040 50 0 IIAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccc(C)cc4)c3n2)cc1 ZINC000065305078 556833138 /nfs/dbraw/zinc/83/31/38/556833138.db2.gz GFESWEANHUGADI-UHFFFAOYSA-N 0 0 438.487 4.272 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)cc1 ZINC000019632562 556833358 /nfs/dbraw/zinc/83/33/58/556833358.db2.gz QDRPHNOQZHFLAZ-UHFFFAOYSA-N 0 0 440.750 4.457 50 0 IIAARN O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1nc(-c2ccccc2)cs1 ZINC000019634733 556834437 /nfs/dbraw/zinc/83/44/37/556834437.db2.gz PKSLMGNHPSPMBA-INIZCTEOSA-N 0 0 441.582 4.189 50 0 IIAARN CC(C)c1ccc(O[C@@H](C)c2nnc(SCc3cc(=O)n4ccsc4n3)n2C)cc1 ZINC000019634725 556834446 /nfs/dbraw/zinc/83/44/46/556834446.db2.gz WNWNYAXELQMUOK-AWEZNQCLSA-N 0 0 441.582 4.440 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000065362950 556834915 /nfs/dbraw/zinc/83/49/15/556834915.db2.gz RYGZEUNLKBUNOU-HXUWFJFHSA-N 0 0 446.555 4.222 50 0 IIAARN Cc1nn(CCCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1Br ZINC000019635585 556835014 /nfs/dbraw/zinc/83/50/14/556835014.db2.gz KLEKYMRTQHMLKI-UHFFFAOYSA-N 0 0 442.423 4.173 50 0 IIAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1Cl ZINC000011213189 556842751 /nfs/dbraw/zinc/84/27/51/556842751.db2.gz UGQQRRHLGFWKHX-CQSZACIVSA-N 0 0 441.881 4.276 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000011215905 556845942 /nfs/dbraw/zinc/84/59/42/556845942.db2.gz SSPOAUXMIRSBSP-UHFFFAOYSA-N 0 0 433.468 4.492 50 0 IIAARN CCCOC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000096817393 556846585 /nfs/dbraw/zinc/84/65/85/556846585.db2.gz UBCUWVLYKRVHBB-LTGZKZEYSA-N 0 0 443.463 4.137 50 0 IIAARN O=C1N(CCOc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000068713283 556849544 /nfs/dbraw/zinc/84/95/44/556849544.db2.gz XDWKUSDXCPDQMT-BKMJKUGQSA-N 0 0 447.918 4.399 50 0 IIAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1C(=O)NC1CC1 ZINC000008883555 556850793 /nfs/dbraw/zinc/85/07/93/556850793.db2.gz DBOQIYYDYSPZKC-UHFFFAOYSA-N 0 0 446.887 4.382 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3cnc(N4CCCCC4)c4ccccc34)CC2)c1 ZINC000033073236 556852547 /nfs/dbraw/zinc/85/25/47/556852547.db2.gz CFFYCYMOCMOJMN-UHFFFAOYSA-N 0 0 430.552 4.196 50 0 IIAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000033073564 556852648 /nfs/dbraw/zinc/85/26/48/556852648.db2.gz AYFGFUBPIALRCM-UHFFFAOYSA-N 0 0 448.498 4.337 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CC[NH+]([C@H](C)CC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078685 556853700 /nfs/dbraw/zinc/85/37/00/556853700.db2.gz AUWYABZQMYZNNE-GOSISDBHSA-N 0 0 439.556 4.202 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(-n4cnnn4)c3)c3c(C)noc3n2)s1 ZINC000033083156 556855271 /nfs/dbraw/zinc/85/52/71/556855271.db2.gz ICDVQCMUGNFNGE-UHFFFAOYSA-N 0 0 431.481 4.105 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088514 556857846 /nfs/dbraw/zinc/85/78/46/556857846.db2.gz FNSUVBGJDIOALX-UHFFFAOYSA-N 0 0 437.765 4.317 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(COc2ccc(C(=O)NCc3ccco3)cc2)s1 ZINC000033114282 556861302 /nfs/dbraw/zinc/86/13/02/556861302.db2.gz FJHNTXIIULZINW-UHFFFAOYSA-N 0 0 448.504 4.201 50 0 IIAARN CCOc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1 ZINC000033127966 556864841 /nfs/dbraw/zinc/86/48/41/556864841.db2.gz QNWLGNIXOXJWPD-HSZRJFAPSA-N 0 0 429.520 4.407 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(Br)cc3)ccc2=O)cc1 ZINC000033128339 556865596 /nfs/dbraw/zinc/86/55/96/556865596.db2.gz PDTAIJSKXZUJHU-AWEZNQCLSA-N 0 0 444.354 4.423 50 0 IIAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCC4)cc3)n2)cc1 ZINC000033128795 556865796 /nfs/dbraw/zinc/86/57/96/556865796.db2.gz IURJCMYCAVBUOX-UHFFFAOYSA-N 0 0 447.539 4.424 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000011227269 556875678 /nfs/dbraw/zinc/87/56/78/556875678.db2.gz ZTWUSAGWIVVWDD-UHFFFAOYSA-N 0 0 441.487 4.202 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1OC ZINC000033141950 556877431 /nfs/dbraw/zinc/87/74/31/556877431.db2.gz MGIQPIRNBZTKCU-UHFFFAOYSA-N 0 0 434.496 4.141 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc(OC)c1 ZINC000033142035 556877452 /nfs/dbraw/zinc/87/74/52/556877452.db2.gz BAQZEUOJEBYHNP-UHFFFAOYSA-N 0 0 448.523 4.450 50 0 IIAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000033162101 556879086 /nfs/dbraw/zinc/87/90/86/556879086.db2.gz UVYVZBAFHRJKBV-FYJGNVAPSA-N 0 0 448.910 4.279 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168630 556880509 /nfs/dbraw/zinc/88/05/09/556880509.db2.gz YCIFIYQSMKDLTD-UHFFFAOYSA-N 0 0 448.548 4.254 50 0 IIAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(C)cc3Cl)CC2)c1=O ZINC000033169636 556884737 /nfs/dbraw/zinc/88/47/37/556884737.db2.gz JXROGYGENGOPDD-UHFFFAOYSA-N 0 0 439.947 4.169 50 0 IIAARN CC(C)n1c(=O)c(-c2ccc(C(=O)NCc3ccc(F)cc3F)cc2)nc2cccnc21 ZINC000033170315 556885643 /nfs/dbraw/zinc/88/56/43/556885643.db2.gz KPVALFJPXWSPGM-UHFFFAOYSA-N 0 0 434.446 4.248 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@@H](C)c3cccc(OC)c3)cc2)nc2cccnc21 ZINC000033170471 556885831 /nfs/dbraw/zinc/88/58/31/556885831.db2.gz SZNWJAARIMOQFE-KRWDZBQOSA-N 0 0 442.519 4.368 50 0 IIAARN C[C@@H]1CCCN(c2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c3ccccc32)C1 ZINC000033175160 556886666 /nfs/dbraw/zinc/88/66/66/556886666.db2.gz QXSLDPYHSTWIRE-CQSZACIVSA-N 0 0 428.895 4.064 50 0 IIAARN O=C(NCCc1ccccc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000019742678 556886871 /nfs/dbraw/zinc/88/68/71/556886871.db2.gz MKPTVBWRVPEJSU-UHFFFAOYSA-N 0 0 426.564 4.208 50 0 IIAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)NCCc3cccs3)n2)cc1 ZINC000033175654 556886929 /nfs/dbraw/zinc/88/69/29/556886929.db2.gz LXQMYXXJZXHNJP-UHFFFAOYSA-N 0 0 425.535 4.295 50 0 IIAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249291 556889024 /nfs/dbraw/zinc/88/90/24/556889024.db2.gz NXPRXRXGJQDTLI-UHFFFAOYSA-N 0 0 426.513 4.395 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1C ZINC000033249399 556889096 /nfs/dbraw/zinc/88/90/96/556889096.db2.gz NQZMTGKFPHUWQR-UHFFFAOYSA-N 0 0 440.590 4.182 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)n2)cc1 ZINC000033249500 556889272 /nfs/dbraw/zinc/88/92/72/556889272.db2.gz QILWYQIDQOJTCZ-RXVVDRJESA-N 0 0 434.540 4.099 50 0 IIAARN COc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)cc1OC ZINC000033251742 556892267 /nfs/dbraw/zinc/89/22/67/556892267.db2.gz HWQSKLRMCSFZRP-UHFFFAOYSA-N 0 0 434.315 4.480 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251947 556892275 /nfs/dbraw/zinc/89/22/75/556892275.db2.gz GKLXZQZDMTWGRF-SFHVURJKSA-N 0 0 427.353 4.484 50 0 IIAARN Cc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000033252068 556892472 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IIAARN CCc1nn2c(ncc3c2ccn(-c2cc(OC)ccc2OC)c3=O)c1-c1ccccc1 ZINC000019818851 556921788 /nfs/dbraw/zinc/92/17/88/556921788.db2.gz DPOJBNVRVBVJSZ-UHFFFAOYSA-N 0 0 426.476 4.280 50 0 IIAARN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NC1CCCCC1 ZINC000019823814 556925182 /nfs/dbraw/zinc/92/51/82/556925182.db2.gz UUFSYCZROPBVQJ-UHFFFAOYSA-N 0 0 433.596 4.149 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860954 556933369 /nfs/dbraw/zinc/93/33/69/556933369.db2.gz ITAIGECWIDAUAK-LJQANCHMSA-N 0 0 434.989 4.391 50 0 IIAARN CCOc1ccc([C@@H]2NC(=O)c3c(COC)cc(C)nc3N2Cc2ccccc2)cc1OC ZINC000019874985 556935841 /nfs/dbraw/zinc/93/58/41/556935841.db2.gz TXVIRFZYJSNYNO-XMMPIXPASA-N 0 0 447.535 4.393 50 0 IIAARN O=S(=O)(c1nc(/C=C/c2ccccc2)oc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000019879647 556936568 /nfs/dbraw/zinc/93/65/68/556936568.db2.gz PAVUAYULZCJGBC-IZZDOVSWSA-N 0 0 430.913 4.168 50 0 IIAARN Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1F)C2 ZINC000019899774 556941714 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IIAARN CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097087099 556983189 /nfs/dbraw/zinc/98/31/89/556983189.db2.gz MMAOKRDWLVZNAG-GOSISDBHSA-N 0 0 436.537 4.450 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2ccc(C)cc2)cc1 ZINC000033269019 556987084 /nfs/dbraw/zinc/98/70/84/556987084.db2.gz WXBJDOAYDVYFGF-UHFFFAOYSA-N 0 0 432.549 4.430 50 0 IIAARN COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000097105763 556987828 /nfs/dbraw/zinc/98/78/28/556987828.db2.gz GJTRJKLDRIQRKD-HSZRJFAPSA-N 0 0 449.532 4.058 50 0 IIAARN O=C(N[C@@H](N1CCN(c2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000020134739 556988151 /nfs/dbraw/zinc/98/81/51/556988151.db2.gz CSYWWLKNCUKWCE-SFHVURJKSA-N 0 0 430.738 4.074 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000020169598 556994656 /nfs/dbraw/zinc/99/46/56/556994656.db2.gz CDWHYGPAHKQTDJ-HXUWFJFHSA-N 0 0 443.547 4.262 50 0 IIAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)c3ccc(N4CCCC4)nn3)c12 ZINC000097166200 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CCOc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)c1 ZINC000046017620 557020654 /nfs/dbraw/zinc/02/06/54/557020654.db2.gz BJVOBAIRKUWXST-SFHVURJKSA-N 0 0 439.512 4.085 50 0 IIAARN Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000023138583 557021718 /nfs/dbraw/zinc/02/17/18/557021718.db2.gz HLHARIXNOXXFNB-UHFFFAOYSA-N 0 0 439.968 4.151 50 0 IIAARN COc1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)cc1Cl ZINC000023138649 557021975 /nfs/dbraw/zinc/02/19/75/557021975.db2.gz JOVAJJBFWYVTGK-UHFFFAOYSA-N 0 0 447.919 4.353 50 0 IIAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6ccccc6F)CC5)n3n2)CCC4)cc1 ZINC000046022856 557022671 /nfs/dbraw/zinc/02/26/71/557022671.db2.gz IWUHSNNNXKCIRY-UHFFFAOYSA-N 0 0 428.515 4.054 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000046043817 557025499 /nfs/dbraw/zinc/02/54/99/557025499.db2.gz ZNQPXENDPOUWRA-OAHLLOKOSA-N 0 0 436.430 4.214 50 0 IIAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000046047981 557026264 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4.160 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)(C)C)cc3c2)cc1 ZINC000046058932 557029776 /nfs/dbraw/zinc/02/97/76/557029776.db2.gz QGAAMYVENKHHNR-UHFFFAOYSA-N 0 0 432.567 4.263 50 0 IIAARN CCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000046073615 557029800 /nfs/dbraw/zinc/02/98/00/557029800.db2.gz YTBGGXDTSMCHED-UHFFFAOYSA-N 0 0 432.567 4.265 50 0 IIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000046074962 557031497 /nfs/dbraw/zinc/03/14/97/557031497.db2.gz LWRWFKIHJPFHNY-SFHVURJKSA-N 0 0 448.548 4.052 50 0 IIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000046075514 557031906 /nfs/dbraw/zinc/03/19/06/557031906.db2.gz JSJZELXYINWHKY-KRWDZBQOSA-N 0 0 448.548 4.052 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C[C@H]3CCOC3)cc12 ZINC000072277056 557032695 /nfs/dbraw/zinc/03/26/95/557032695.db2.gz QEJYJMDRAKMJGH-MRXNPFEDSA-N 0 0 439.516 4.079 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000046079338 557034108 /nfs/dbraw/zinc/03/41/08/557034108.db2.gz ROKBXGATLZNGHG-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000011279504 557034107 /nfs/dbraw/zinc/03/41/07/557034107.db2.gz GZJZDUGMDVKSHY-KNQAVFIVSA-N 0 0 448.350 4.274 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000046079997 557035363 /nfs/dbraw/zinc/03/53/63/557035363.db2.gz ANCCDONQKIAQGX-OAQYLSRUSA-N 0 0 427.932 4.081 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1 ZINC000017191162 557036005 /nfs/dbraw/zinc/03/60/05/557036005.db2.gz HSRAYGVAMYUAGV-UHFFFAOYSA-N 0 0 429.548 4.222 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122512 557036250 /nfs/dbraw/zinc/03/62/50/557036250.db2.gz QUPKGCBXNGGMFL-HNNXBMFYSA-N 0 0 442.491 4.017 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122832 557036493 /nfs/dbraw/zinc/03/64/93/557036493.db2.gz FQDCAOVVCLBZLX-CYBMUJFWSA-N 0 0 446.985 4.454 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000046123031 557036943 /nfs/dbraw/zinc/03/69/43/557036943.db2.gz KJXZCUMHMLQQQP-KRWDZBQOSA-N 0 0 436.537 4.127 50 0 IIAARN O=C1CCc2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc3c2N1CCC3 ZINC000017179072 557038153 /nfs/dbraw/zinc/03/81/53/557038153.db2.gz NENYFRVZDLPQPF-UHFFFAOYSA-N 0 0 432.545 4.308 50 0 IIAARN Cc1cc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)ccc1Br ZINC000017207229 557038514 /nfs/dbraw/zinc/03/85/14/557038514.db2.gz UWBZKFYDOIMAJM-UHFFFAOYSA-N 0 0 425.352 4.165 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1C ZINC000010863554 557043378 /nfs/dbraw/zinc/04/33/78/557043378.db2.gz MAZHODANHVPGBU-KRWDZBQOSA-N 0 0 447.487 4.386 50 0 IIAARN CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(F)cc1Cl ZINC000051357463 557044945 /nfs/dbraw/zinc/04/49/45/557044945.db2.gz ITKZSDKJUDRGRY-UHFFFAOYSA-N 0 0 433.936 4.254 50 0 IIAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000017286627 557045053 /nfs/dbraw/zinc/04/50/53/557045053.db2.gz ZTQAGOARUBONSZ-UHFFFAOYSA-N 0 0 426.460 4.450 50 0 IIAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181745 557045725 /nfs/dbraw/zinc/04/57/25/557045725.db2.gz QANQVIWJUCBTRP-CYFREDJKSA-N 0 0 435.593 4.439 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000048234207 557046036 /nfs/dbraw/zinc/04/60/36/557046036.db2.gz YZZGURLTIJTJCE-KRWDZBQOSA-N 0 0 429.492 4.276 50 0 IIAARN C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000023182288 557046052 /nfs/dbraw/zinc/04/60/52/557046052.db2.gz VWUIVLIQRYZKBQ-GUYCJALGSA-N 0 0 440.432 4.259 50 0 IIAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1 ZINC000033270779 557047838 /nfs/dbraw/zinc/04/78/38/557047838.db2.gz IXUOLNPXDOKETH-UHFFFAOYSA-N 0 0 438.488 4.166 50 0 IIAARN Cc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCC4)cc3)n2)c1 ZINC000033273502 557051762 /nfs/dbraw/zinc/05/17/62/557051762.db2.gz IAPDPIQZUAGRBF-UHFFFAOYSA-N 0 0 432.524 4.032 50 0 IIAARN CCOc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017307371 557053555 /nfs/dbraw/zinc/05/35/55/557053555.db2.gz BNCCKJIOQIYSFH-HXUWFJFHSA-N 0 0 433.913 4.277 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2cc(C(N)=O)c3ccccc32)s1 ZINC000048290237 557055166 /nfs/dbraw/zinc/05/51/66/557055166.db2.gz VEXGYZFKIZKQSB-UHFFFAOYSA-N 0 0 431.561 4.382 50 0 IIAARN Cc1noc2nc(C)cc(C(=O)OCC(=O)N3c4ccccc4CCc4ccccc43)c12 ZINC000022977131 557055341 /nfs/dbraw/zinc/05/53/41/557055341.db2.gz PWPPFDTZIZEFBU-UHFFFAOYSA-N 0 0 427.460 4.460 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1ccc(F)cc1 ZINC000022990227 557056077 /nfs/dbraw/zinc/05/60/77/557056077.db2.gz XWTVAGQEIAGRCH-QGZVFWFLSA-N 0 0 427.545 4.111 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2F)C[C@@H](C)O1 ZINC000048276300 557056393 /nfs/dbraw/zinc/05/63/93/557056393.db2.gz VGOJIOCMHGIIHK-ZIAGYGMSSA-N 0 0 430.505 4.122 50 0 IIAARN O=C(NC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1)c1ccsc1 ZINC000048303624 557058730 /nfs/dbraw/zinc/05/87/30/557058730.db2.gz PHCBQQSKIAKYLP-UHFFFAOYSA-N 0 0 427.751 4.199 50 0 IIAARN CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2s1 ZINC000023042076 557059076 /nfs/dbraw/zinc/05/90/76/557059076.db2.gz AAANEUUUJUPTAK-UHFFFAOYSA-N 0 0 429.567 4.138 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)NCc2cccc(OC)c2)cc1 ZINC000032948786 557061373 /nfs/dbraw/zinc/06/13/73/557061373.db2.gz LKASCLVZVSLSEE-NRFANRHFSA-N 0 0 448.519 4.086 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC(F)F)C2)s1 ZINC000023074601 557061778 /nfs/dbraw/zinc/06/17/78/557061778.db2.gz NPIDGKJMOZAHKD-CYBMUJFWSA-N 0 0 446.566 4.411 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)c1 ZINC000023076669 557062126 /nfs/dbraw/zinc/06/21/26/557062126.db2.gz PXZNYRTYAIDUGN-UHFFFAOYSA-N 0 0 448.588 4.041 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)Nc2cc3c(cc2Br)OCCO3)cc1F ZINC000048314701 557064674 /nfs/dbraw/zinc/06/46/74/557064674.db2.gz FAPANCMVPBFOLP-SNVBAGLBSA-N 0 0 425.254 4.251 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 ZINC000033287410 557064705 /nfs/dbraw/zinc/06/47/05/557064705.db2.gz HWIJVMICRLEEMR-UHFFFAOYSA-N 0 0 428.492 4.120 50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(C)ccc1OC ZINC000023119150 557064808 /nfs/dbraw/zinc/06/48/08/557064808.db2.gz GOEMPMULIDCYTD-UHFFFAOYSA-N 0 0 448.548 4.459 50 0 IIAARN O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccccc1C(F)(F)F ZINC000023125712 557065166 /nfs/dbraw/zinc/06/51/66/557065166.db2.gz HOISJFKREQFKGD-UHFFFAOYSA-N 0 0 440.381 4.223 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033288570 557065885 /nfs/dbraw/zinc/06/58/85/557065885.db2.gz MLCYICAALVSIAL-QGZVFWFLSA-N 0 0 448.548 4.254 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)c(F)c4)C3)n2)c1 ZINC000033289803 557071303 /nfs/dbraw/zinc/07/13/03/557071303.db2.gz LWNTUZAQBJWJDN-MRXNPFEDSA-N 0 0 440.450 4.383 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(OC)c4)C3)n2)c1 ZINC000033289833 557071503 /nfs/dbraw/zinc/07/15/03/557071503.db2.gz UTXODIDXXALIOL-GOSISDBHSA-N 0 0 434.496 4.114 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1 ZINC000033296672 557072567 /nfs/dbraw/zinc/07/25/67/557072567.db2.gz BJSRFZWLMZPDBB-QUCCMNQESA-N 0 0 433.552 4.272 50 0 IIAARN O=C(NCCCc1ccccc1)c1ccc(Oc2nccnc2N2CCSCC2)cc1 ZINC000033296686 557072587 /nfs/dbraw/zinc/07/25/87/557072587.db2.gz CUDGQSKMUJFUMQ-UHFFFAOYSA-N 0 0 434.565 4.185 50 0 IIAARN CCc1ccc(CNS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2C)cc1 ZINC000033298082 557074309 /nfs/dbraw/zinc/07/43/09/557074309.db2.gz RXVCDKIQVBFPEX-UHFFFAOYSA-N 0 0 434.565 4.362 50 0 IIAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c12 ZINC000048364398 557075612 /nfs/dbraw/zinc/07/56/12/557075612.db2.gz OFQRZNWKJDONHM-UHFFFAOYSA-N 0 0 428.558 4.274 50 0 IIAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@H]2c2nnc3ccccn32)c1 ZINC000048375484 557076761 /nfs/dbraw/zinc/07/67/61/557076761.db2.gz ZJJWPHUBHXAASI-QHCPKHFHSA-N 0 0 425.536 4.408 50 0 IIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)Nc3cccc(C)c3)c(=O)c3ccc(C)nc32)c1 ZINC000049002109 557081690 /nfs/dbraw/zinc/08/16/90/557081690.db2.gz CSTDFRNOIFVLMR-UHFFFAOYSA-N 0 0 440.503 4.213 50 0 IIAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000033300660 557082153 /nfs/dbraw/zinc/08/21/53/557082153.db2.gz VGAQINNWZWHUCF-UHFFFAOYSA-N 0 0 431.492 4.159 50 0 IIAARN C[C@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000011306472 557082215 /nfs/dbraw/zinc/08/22/15/557082215.db2.gz JYLIKXFQANKZKG-VIFPVBQESA-N 0 0 431.827 4.106 50 0 IIAARN CCOc1cc([C@H]2NC(=S)N(c3ccc(C)c(F)c3)C(C)=C2C(=O)N(C)C)ccc1O ZINC000023200194 557083588 /nfs/dbraw/zinc/08/35/88/557083588.db2.gz YSGLLGXCQVVPOU-OAQYLSRUSA-N 0 0 443.544 4.036 50 0 IIAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccccc2Cl)c(=O)n3C(C)C)no1 ZINC000033306916 557084949 /nfs/dbraw/zinc/08/49/49/557084949.db2.gz XGUWEVHLCHUUQX-UHFFFAOYSA-N 0 0 425.876 4.034 50 0 IIAARN COc1cc(OC)c(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1Cl ZINC000049006912 557085405 /nfs/dbraw/zinc/08/54/05/557085405.db2.gz SGMKPWPZGLAIIZ-UHFFFAOYSA-N 0 0 427.888 4.449 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(N5CCCC5=O)cc4)c3)n2)cc1 ZINC000049007358 557085658 /nfs/dbraw/zinc/08/56/58/557085658.db2.gz FMSBFYIPYKREPH-UHFFFAOYSA-N 0 0 426.476 4.049 50 0 IIAARN CCN(c1ccsc1C(=O)NCc1ccc(F)cc1F)S(=O)(=O)c1ccccc1 ZINC000049004225 557092256 /nfs/dbraw/zinc/09/22/56/557092256.db2.gz JWZGCEWQGQZOGZ-UHFFFAOYSA-N 0 0 436.505 4.172 50 0 IIAARN O=C(c1cccnc1Cl)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023459599 557092859 /nfs/dbraw/zinc/09/28/59/557092859.db2.gz JGYMUFVHZBRJFX-UHFFFAOYSA-N 0 0 429.911 4.308 50 0 IIAARN C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2S1 ZINC000017525327 557092981 /nfs/dbraw/zinc/09/29/81/557092981.db2.gz PAOPJWAFSMGXHZ-OAHLLOKOSA-N 0 0 436.624 4.066 50 0 IIAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000033310256 557093672 /nfs/dbraw/zinc/09/36/72/557093672.db2.gz KSYQHNHDJNAYOF-GOSISDBHSA-N 0 0 435.528 4.101 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311076 557094612 /nfs/dbraw/zinc/09/46/12/557094612.db2.gz LWRYEGPSJHPOLQ-LJQANCHMSA-N 0 0 426.582 4.234 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311160 557094945 /nfs/dbraw/zinc/09/49/45/557094945.db2.gz OYJRGADOLUSMEJ-FQEVSTJZSA-N 0 0 438.543 4.312 50 0 IIAARN O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Br)cc1F ZINC000049399628 557095199 /nfs/dbraw/zinc/09/51/99/557095199.db2.gz DPVNGIDBNKAXDM-UHFFFAOYSA-N 0 0 425.327 4.099 50 0 IIAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)c1)N1CCCC1 ZINC000033311581 557095622 /nfs/dbraw/zinc/09/56/22/557095622.db2.gz OMWHXBLRXOXQIT-NRFANRHFSA-N 0 0 432.564 4.272 50 0 IIAARN Cc1ccc(NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c(Cl)c1 ZINC000033312831 557097244 /nfs/dbraw/zinc/09/72/44/557097244.db2.gz AOXHAJURVZXSDA-XMMPIXPASA-N 0 0 439.987 4.445 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000049401883 557097320 /nfs/dbraw/zinc/09/73/20/557097320.db2.gz ZNGSIXYSXBCWHX-UHFFFAOYSA-N 0 0 436.943 4.498 50 0 IIAARN COc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404988 557100029 /nfs/dbraw/zinc/10/00/29/557100029.db2.gz KGFVREVNOWXLEL-UHFFFAOYSA-N 0 0 436.537 4.257 50 0 IIAARN COc1ccc(Oc2cc(NC(=O)CCNC(=O)NCc3ccccc3)ccc2OC)cc1 ZINC000011338349 557100560 /nfs/dbraw/zinc/10/05/60/557100560.db2.gz XWRGEGAHPKKHKA-UHFFFAOYSA-N 0 0 449.507 4.324 50 0 IIAARN [NH3+][C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000085210593 557100902 /nfs/dbraw/zinc/10/09/02/557100902.db2.gz OXFFQNROWDDLTM-RTBURBONSA-N 0 0 442.409 4.102 50 0 IIAARN COc1ccc(Oc2cc(N[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)ccc2OC)cc1 ZINC000023626843 557101471 /nfs/dbraw/zinc/10/14/71/557101471.db2.gz GXJJPTMSWOJVMH-MRXNPFEDSA-N 0 0 447.491 4.282 50 0 IIAARN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000049406781 557102194 /nfs/dbraw/zinc/10/21/94/557102194.db2.gz RBTLSVWUAQSFCM-UHFFFAOYSA-N 0 0 428.964 4.421 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)CC4CCCCC4)CC3)[nH]n2)cc1 ZINC000049406677 557102210 /nfs/dbraw/zinc/10/22/10/557102210.db2.gz ZMVJKPOHUTVQRX-UHFFFAOYSA-N 0 0 438.572 4.167 50 0 IIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000011347305 557103260 /nfs/dbraw/zinc/10/32/60/557103260.db2.gz DVSHGADRLFKTAY-UHFFFAOYSA-N 0 0 430.392 4.270 50 0 IIAARN COc1ccccc1NC(=O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1 ZINC000049420764 557107163 /nfs/dbraw/zinc/10/71/63/557107163.db2.gz IJYDOFCTWBLIOR-UHFFFAOYSA-N 0 0 438.447 4.245 50 0 IIAARN CC(C)c1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325437 557107514 /nfs/dbraw/zinc/10/75/14/557107514.db2.gz FGPXYYDLERPLFN-QGZVFWFLSA-N 0 0 429.567 4.347 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000049422059 557108998 /nfs/dbraw/zinc/10/89/98/557108998.db2.gz WTLJTFJVCGUSRD-UHFFFAOYSA-N 0 0 428.467 4.253 50 0 IIAARN COc1ccc(-c2csc(C3=C(N)N(C[C@@H]4COc5ccccc5O4)CC3=O)n2)cc1 ZINC000409413212 557109504 /nfs/dbraw/zinc/10/95/04/557109504.db2.gz FCQXRNGTYGFKES-MRXNPFEDSA-N 0 0 435.505 4.415 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCCc2ccccc21 ZINC000011363796 557113669 /nfs/dbraw/zinc/11/36/69/557113669.db2.gz BQXBPKBAFTVTBH-HKUYNNGSSA-N 0 0 449.576 4.036 50 0 IIAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000049632627 557115970 /nfs/dbraw/zinc/11/59/70/557115970.db2.gz BRDBANHIQNKTJY-UHFFFAOYSA-N 0 0 444.507 4.228 50 0 IIAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000000792535 557116116 /nfs/dbraw/zinc/11/61/16/557116116.db2.gz JICFRIASYYNYNI-UHFFFAOYSA-N 0 0 447.623 4.181 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1F ZINC000033331967 557116575 /nfs/dbraw/zinc/11/65/75/557116575.db2.gz OGOCSVNBYTVUKT-IYJATWDHSA-N 0 0 437.515 4.483 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NC3CCCCCCC3)nc3ccccc3c2=O)nc1 ZINC000049670834 557117320 /nfs/dbraw/zinc/11/73/20/557117320.db2.gz LYZUTKYTWCRKQV-UHFFFAOYSA-N 0 0 436.581 4.410 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 ZINC000049649964 557117603 /nfs/dbraw/zinc/11/76/03/557117603.db2.gz WPSDZPCPTIYXNI-UHFFFAOYSA-N 0 0 430.533 4.382 50 0 IIAARN O=C(CCNc1ccc(C(=O)NCc2ccccc2)cc1)c1cc2ccccc2oc1=O ZINC000049947113 557118873 /nfs/dbraw/zinc/11/88/73/557118873.db2.gz LVKMUWHJXWDZBZ-UHFFFAOYSA-N 0 0 426.472 4.408 50 0 biogenic,in-vitro IIAARN CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000098086351 557122040 /nfs/dbraw/zinc/12/20/40/557122040.db2.gz DHSWKSAOZPNMDJ-WOJGMQOQSA-N 0 0 446.912 4.422 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000647223 557124552 /nfs/dbraw/zinc/12/45/52/557124552.db2.gz KVKUHORDIPPNRA-OALUTQOASA-N 0 0 446.477 4.166 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@H](C)C(C)C)c1 ZINC000006695931 557124745 /nfs/dbraw/zinc/12/47/45/557124745.db2.gz BUSFREZUMBMWAI-LJQANCHMSA-N 0 0 425.573 4.333 50 0 IIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000023935348 557126201 /nfs/dbraw/zinc/12/62/01/557126201.db2.gz DJHLYKMUPZNKKE-JOCHJYFZSA-N 0 0 449.576 4.112 50 0 IIAARN COc1ccccc1Nc1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)s1 ZINC000023936027 557126598 /nfs/dbraw/zinc/12/65/98/557126598.db2.gz PIKYBCQJMYAPRL-UHFFFAOYSA-N 0 0 431.930 4.473 50 0 IIAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023968792 557128715 /nfs/dbraw/zinc/12/87/15/557128715.db2.gz WAJLWOKJFDRLHH-UHFFFAOYSA-N 0 0 445.544 4.449 50 0 IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000103124650 557130639 /nfs/dbraw/zinc/13/06/39/557130639.db2.gz GXPFQRBXPWMUDN-JRRRGCKWSA-N 0 0 429.903 4.272 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000024736798 557130784 /nfs/dbraw/zinc/13/07/84/557130784.db2.gz SDOAKAMWKIDCPH-INIZCTEOSA-N 0 0 437.323 4.262 50 0 IIAARN CC[C@H]1CCc2nc3sc(C(=O)NCCc4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661904 557131220 /nfs/dbraw/zinc/13/12/20/557131220.db2.gz RBBBQXHJSYQRSS-AWEZNQCLSA-N 0 0 439.581 4.383 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000024026744 557132407 /nfs/dbraw/zinc/13/24/07/557132407.db2.gz FVKGKLBJYJMRKC-XMMPIXPASA-N 0 0 434.561 4.355 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247460492 557136261 /nfs/dbraw/zinc/13/62/61/557136261.db2.gz AOWBKSGDJFVAJW-DBVUQKKJSA-N 0 0 440.927 4.158 50 0 IIAARN O[C@@H](COCc1ccccc1F)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000024093948 557136751 /nfs/dbraw/zinc/13/67/51/557136751.db2.gz DIAXPWKEPRKBAU-FQEVSTJZSA-N 0 0 436.512 4.138 50 0 IIAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000000694423 557137469 /nfs/dbraw/zinc/13/74/69/557137469.db2.gz NPWVGRTZLPLBOJ-UHFFFAOYSA-N 0 0 438.934 4.439 50 0 IIAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000000697014 557137554 /nfs/dbraw/zinc/13/75/54/557137554.db2.gz WAABCUCGMJGMCH-UHFFFAOYSA-N 0 0 446.438 4.453 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC000003613448 557138079 /nfs/dbraw/zinc/13/80/79/557138079.db2.gz ALUIPZJZIJHNPP-UHFFFAOYSA-N 0 0 443.750 4.139 50 0 IIAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(Nc2ncccn2)c1 ZINC000024785733 557139266 /nfs/dbraw/zinc/13/92/66/557139266.db2.gz LZSBAPMJMWSWQE-UHFFFAOYSA-N 0 0 427.258 4.006 50 0 IIAARN COc1cc(OC)c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1OC ZINC000011404667 557141970 /nfs/dbraw/zinc/14/19/70/557141970.db2.gz RQXRWTAMZRUCRW-UHFFFAOYSA-N 0 0 442.493 4.211 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011417122 557143228 /nfs/dbraw/zinc/14/32/28/557143228.db2.gz LDIQIQUWJIWZLZ-QVKFZJNVSA-N 0 0 427.932 4.250 50 0 IIAARN COc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2ccccc2)cc1Cl ZINC000024294630 557143330 /nfs/dbraw/zinc/14/33/30/557143330.db2.gz OIRVMQJEYRDCSH-UHFFFAOYSA-N 0 0 430.961 4.021 50 0 IIAARN O=C(OCc1ccc(F)cc1Br)C1CCN(C(=O)c2cccs2)CC1 ZINC000011418051 557143504 /nfs/dbraw/zinc/14/35/04/557143504.db2.gz SCPLIJHDWKBRJN-UHFFFAOYSA-N 0 0 426.307 4.245 50 0 IIAARN COc1cc(CCC2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc(OC)c1 ZINC000011414387 557144052 /nfs/dbraw/zinc/14/40/52/557144052.db2.gz ZJVAELAODBJIMS-UHFFFAOYSA-N 0 0 440.588 4.299 50 0 IIAARN COc1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)ccc1OCc1ccccc1 ZINC000024326613 557144211 /nfs/dbraw/zinc/14/42/11/557144211.db2.gz SPVBKBKDKCGDRO-UHFFFAOYSA-N 0 0 442.519 4.337 50 0 IIAARN CCOC(=O)N1CCN(CC2=CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)CC1 ZINC000584906253 557146781 /nfs/dbraw/zinc/14/67/81/557146781.db2.gz QYSHLPJGUDHFJC-UHFFFAOYSA-N 0 0 433.552 4.283 50 0 IIAARN O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc2cc(Br)ccc2c1 ZINC000024431854 557146788 /nfs/dbraw/zinc/14/67/88/557146788.db2.gz JCUKGESRUBIAFZ-UHFFFAOYSA-N 0 0 426.188 4.388 50 0 IIAARN CC(C)n1cnnc1SCC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024435215 557146801 /nfs/dbraw/zinc/14/68/01/557146801.db2.gz AIVHJVPPUCNXNH-QGZVFWFLSA-N 0 0 425.583 4.442 50 0 IIAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)NC1CCCCC1 ZINC000006169080 557147460 /nfs/dbraw/zinc/14/74/60/557147460.db2.gz NGJHQPPVKGPUBU-UHFFFAOYSA-N 0 0 428.602 4.297 50 0 IIAARN O=C(c1sccc1-c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011449718 557148987 /nfs/dbraw/zinc/14/89/87/557148987.db2.gz UZLBUFWOVOMZHK-UHFFFAOYSA-N 0 0 432.592 4.060 50 0 IIAARN Cc1[nH]c2ccc(Br)cc2c1CCNC(=O)c1cc2ccccc2oc1=O ZINC000000719812 557149538 /nfs/dbraw/zinc/14/95/38/557149538.db2.gz LCCFVLGMPPDCQJ-UHFFFAOYSA-N 0 0 425.282 4.318 50 0 biogenic,in-vitro IIAARN Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(OC(F)(F)F)c4)C3)nc2)n1 ZINC000585146856 557151040 /nfs/dbraw/zinc/15/10/40/557151040.db2.gz HLTUPPPDQLBIGW-OAHLLOKOSA-N 0 0 447.417 4.194 50 0 IIAARN COc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCOCC2)cc1 ZINC000016425606 557151503 /nfs/dbraw/zinc/15/15/03/557151503.db2.gz DHROWTZGMVPSRL-UHFFFAOYSA-N 0 0 437.521 4.098 50 0 IIAARN O=C(CCc1ccc(F)c(Cl)c1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000206753693 557151532 /nfs/dbraw/zinc/15/15/32/557151532.db2.gz SIHAMCZENBUXRB-QGZVFWFLSA-N 0 0 427.900 4.016 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccc2Cl)c1 ZINC000011481226 557152748 /nfs/dbraw/zinc/15/27/48/557152748.db2.gz OLLFNKBGTHLHJR-UHFFFAOYSA-N 0 0 442.990 4.110 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608440 557153955 /nfs/dbraw/zinc/15/39/55/557153955.db2.gz ILCFXIXQNCYFEG-SFHVURJKSA-N 0 0 449.016 4.019 50 0 IIAARN O=S(=O)(NCCSCc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000024614016 557156051 /nfs/dbraw/zinc/15/60/51/557156051.db2.gz FBXNBLFCOBMTQD-UHFFFAOYSA-N 0 0 426.810 4.376 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000095483123 557157582 /nfs/dbraw/zinc/15/75/82/557157582.db2.gz VSNOXLAVMLRBDY-ROUUACIJSA-N 0 0 426.266 4.124 50 0 IIAARN C[C@H](O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn1C(=O)OC(C)(C)C ZINC000095704778 557159846 /nfs/dbraw/zinc/15/98/46/557159846.db2.gz GZCNNOZZDUPMKM-LBPRGKRZSA-N 0 0 427.498 4.396 50 0 IIAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NCCc1nnc2ccccn21 ZINC000011547292 557161985 /nfs/dbraw/zinc/16/19/85/557161985.db2.gz AFVUTXZVQQXYSX-UHFFFAOYSA-N 0 0 427.483 4.308 50 0 IIAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccc(F)c(Cl)c3)n2)cc1 ZINC000024750649 557162308 /nfs/dbraw/zinc/16/23/08/557162308.db2.gz HHHWBTMYVDHJJL-UHFFFAOYSA-N 0 0 447.919 4.299 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(C(C)(C)C)cc2)c1 ZINC000024757958 557163672 /nfs/dbraw/zinc/16/36/72/557163672.db2.gz YEULFXAJTZHUDB-UHFFFAOYSA-N 0 0 431.602 4.374 50 0 IIAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000024821220 557169009 /nfs/dbraw/zinc/16/90/09/557169009.db2.gz XURJUHAJSKKGPG-SJORKVTESA-N 0 0 440.931 4.063 50 0 IIAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000024830174 557170015 /nfs/dbraw/zinc/17/00/15/557170015.db2.gz IEWMJSFXNJBDMW-UHFFFAOYSA-N 0 0 435.940 4.456 50 0 IIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C ZINC000024830574 557170252 /nfs/dbraw/zinc/17/02/52/557170252.db2.gz QGIMRGJNMBFEPK-MRXNPFEDSA-N 0 0 447.601 4.072 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)N3CCC(c4nc5ccccc5s4)CC3)CC2=O)c1 ZINC000024843181 557173821 /nfs/dbraw/zinc/17/38/21/557173821.db2.gz SHRLDWDVGGFKMF-QGZVFWFLSA-N 0 0 435.549 4.064 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000778361 557173893 /nfs/dbraw/zinc/17/38/93/557173893.db2.gz LBBUFPGALVWGOJ-UHFFFAOYSA-N 0 0 438.461 4.076 50 0 IIAARN CCc1c(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cnn1-c1cccc(Cl)c1 ZINC000024863320 557174497 /nfs/dbraw/zinc/17/44/97/557174497.db2.gz VCWTYQNHLOAKNE-INIZCTEOSA-N 0 0 434.931 4.151 50 0 IIAARN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000024865990 557175259 /nfs/dbraw/zinc/17/52/59/557175259.db2.gz GGBBRPXNFSKIFG-SJKOYZFVSA-N 0 0 425.838 4.297 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1 ZINC000024865824 557175341 /nfs/dbraw/zinc/17/53/41/557175341.db2.gz ROVMLCNTPJCBBE-QHCPKHFHSA-N 0 0 443.547 4.228 50 0 IIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000024871009 557175577 /nfs/dbraw/zinc/17/55/77/557175577.db2.gz OSIOHPRKLKJYAF-HNNXBMFYSA-N 0 0 425.558 4.455 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000024883014 557176578 /nfs/dbraw/zinc/17/65/78/557176578.db2.gz DTHZUKVREJHDSM-QGZVFWFLSA-N 0 0 436.533 4.100 50 0 IIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000010969451 557180944 /nfs/dbraw/zinc/18/09/44/557180944.db2.gz SBXQTSKZYQMWDY-HNNXBMFYSA-N 0 0 444.578 4.233 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)n1C)c1ccccc1 ZINC000009261514 557184195 /nfs/dbraw/zinc/18/41/95/557184195.db2.gz HBJZKRRTEFFUKJ-QGZVFWFLSA-N 0 0 436.581 4.242 50 0 IIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000000785602 557185377 /nfs/dbraw/zinc/18/53/77/557185377.db2.gz DQYNIEUXZCCMBJ-UHFFFAOYSA-N 0 0 440.952 4.120 50 0 IIAARN O=C(COc1ccccc1)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000043833592 557185977 /nfs/dbraw/zinc/18/59/77/557185977.db2.gz GUJBZRHXOGWTBS-SANMLTNESA-N 0 0 442.559 4.404 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4c(C)oc(C)c4C)CC3)cs2)cc1 ZINC000024991873 557187660 /nfs/dbraw/zinc/18/76/60/557187660.db2.gz JPIOBGVKBCMUIG-UHFFFAOYSA-N 0 0 425.554 4.295 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c(C)c1 ZINC000025040309 557189927 /nfs/dbraw/zinc/18/99/27/557189927.db2.gz VXAOGGHXHOSDLK-VXKWHMMOSA-N 0 0 447.579 4.062 50 0 IIAARN CCOC(=O)c1c(C)nc(-c2ccco2)nc1S[C@H](C)C(=O)Nc1ccccc1F ZINC000025057336 557192289 /nfs/dbraw/zinc/19/22/89/557192289.db2.gz FRUKNHKQUYVNNQ-CYBMUJFWSA-N 0 0 429.473 4.480 50 0 IIAARN Cc1ccc(C(=O)N/C(=C\C2=Cc3ccccc3O[C@@H]2C)C(=O)NCc2ccco2)cc1 ZINC000100861650 557193153 /nfs/dbraw/zinc/19/31/53/557193153.db2.gz 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557208399 /nfs/dbraw/zinc/20/83/99/557208399.db2.gz MBELFISBIZJRMZ-XQUALCHDSA-N 0 0 426.516 4.087 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)c(C)c1 ZINC000025536538 557213494 /nfs/dbraw/zinc/21/34/94/557213494.db2.gz OLAPPIVCDOOUOC-JOCHJYFZSA-N 0 0 444.572 4.207 50 0 IIAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC)C2)cc1OC ZINC000101032493 557214762 /nfs/dbraw/zinc/21/47/62/557214762.db2.gz VMTFPXYCSFIZIP-MRXNPFEDSA-N 0 0 443.301 4.122 50 0 IIAARN COc1cc(CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)ccc1OCc1ccccc1 ZINC000025621539 557219633 /nfs/dbraw/zinc/21/96/33/557219633.db2.gz USLOOYWJHAYBQF-XMMPIXPASA-N 0 0 446.503 4.022 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC ZINC000000804026 557222857 /nfs/dbraw/zinc/22/28/57/557222857.db2.gz SMBFEJSNMNCAFT-UHFFFAOYSA-N 0 0 437.443 4.474 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC ZINC000025957492 557231044 /nfs/dbraw/zinc/23/10/44/557231044.db2.gz CYKIQSFHSXVHPF-YLJYHZDGSA-N 0 0 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CC(C)C(=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664087 557269920 /nfs/dbraw/zinc/26/99/20/557269920.db2.gz ITARXJUKEMATIW-MRXNPFEDSA-N 0 0 429.460 4.137 50 0 IIAARN COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000027664606 557270604 /nfs/dbraw/zinc/27/06/04/557270604.db2.gz GSMAWAYREIXICR-UHFFFAOYSA-N 0 0 440.521 4.176 50 0 IIAARN Cc1ccc(-n2c(CNc3ccccc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000027756840 557273596 /nfs/dbraw/zinc/27/35/96/557273596.db2.gz LBMADVKUTRKXGY-UHFFFAOYSA-N 0 0 436.566 4.375 50 0 IIAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]21 ZINC000100744204 557275350 /nfs/dbraw/zinc/27/53/50/557275350.db2.gz HXYXQUQMNOCQHZ-YFZFPPMRSA-N 0 0 437.879 4.081 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(C)cc1C ZINC000101367811 557277792 /nfs/dbraw/zinc/27/77/92/557277792.db2.gz SXKHQMCQAQDSJY-QFIPXVFZSA-N 0 0 439.581 4.358 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2C)N2C(CC(=O)NCC3CC3)=CSC2=N1 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CCCC(=O)N(Cc1ccc(Cl)cc1)c1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101861070 557304012 /nfs/dbraw/zinc/30/40/12/557304012.db2.gz NQZNUVUYXSCNSC-UHFFFAOYSA-N 0 0 449.942 4.304 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1C ZINC000102641538 557304372 /nfs/dbraw/zinc/30/43/72/557304372.db2.gz GTXKKADMKMCGMQ-FQQGMQMYSA-N 0 0 431.488 4.045 50 0 IIAARN C(Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)[C@@]1(N2CCOCC2)CCSC1 ZINC000060861166 557311835 /nfs/dbraw/zinc/31/18/35/557311835.db2.gz BBIXRAFDBKEUDT-QFIPXVFZSA-N 0 0 430.643 4.067 50 0 IIAARN Cc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000000832067 557312178 /nfs/dbraw/zinc/31/21/78/557312178.db2.gz WBHYQNKFJSCHED-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(C)n1C[C@@H]1CCCO1 ZINC000014166018 557312465 /nfs/dbraw/zinc/31/24/65/557312465.db2.gz KXYQUAKJPXJORQ-SFHVURJKSA-N 0 0 428.533 4.194 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2=C(C)N=C3N=NNN3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000220976164 557312793 /nfs/dbraw/zinc/31/27/93/557312793.db2.gz RPJDBJAAFRLZNA-OAQYLSRUSA-N 0 0 434.500 4.338 50 0 IIAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)[C@H](CC)c4ccccc4)CC3)n2)cc1 ZINC000023327325 557313384 /nfs/dbraw/zinc/31/33/84/557313384.db2.gz YIOKODHKBSMROW-HSZRJFAPSA-N 0 0 430.552 4.385 50 0 IIAARN CC(=O)N1CCC(C(=O)N(C)Cc2ccc(Br)s2)(c2ccccc2)CC1 ZINC000032702109 557313781 /nfs/dbraw/zinc/31/37/81/557313781.db2.gz MDZSPIVMAOYOMV-UHFFFAOYSA-N 0 0 435.387 4.049 50 0 IIAARN COc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000032754746 557315318 /nfs/dbraw/zinc/31/53/18/557315318.db2.gz KYCAVMOUEVNHSZ-MDZDMXLPSA-N 0 0 431.439 4.129 50 0 IIAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000032859538 557316565 /nfs/dbraw/zinc/31/65/65/557316565.db2.gz NJBUTXMBIFZPNV-PEBXRYMYSA-N 0 0 448.350 4.114 50 0 IIAARN COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032830450 557316652 /nfs/dbraw/zinc/31/66/52/557316652.db2.gz ACPIWLSDMFJKOS-DKISHCGFSA-N 0 0 444.457 4.485 50 0 IIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000102288505 557317436 /nfs/dbraw/zinc/31/74/36/557317436.db2.gz UYFNLEIRKYRVGU-RTBURBONSA-N 0 0 446.956 4.124 50 0 IIAARN O=c1c2ccc(Cl)cc2nc(SCC[S@@](=O)c2ccccc2)n1C[C@@H]1CCCO1 ZINC000032937845 557318858 /nfs/dbraw/zinc/31/88/58/557318858.db2.gz KAEHLBQUOAAILJ-OFJJUDJNSA-N 0 0 448.997 4.129 50 0 IIAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000102410929 557321350 /nfs/dbraw/zinc/32/13/50/557321350.db2.gz FQJVJYUGRRVCNR-OKILXGFUSA-N 0 0 441.896 4.099 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000024593225 557328266 /nfs/dbraw/zinc/32/82/66/557328266.db2.gz NSCNWCXULFHZCY-UHFFFAOYSA-N 0 0 426.828 4.237 50 0 IIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000014244162 557328506 /nfs/dbraw/zinc/32/85/06/557328506.db2.gz YZWFVSVHBKLWBU-UHFFFAOYSA-N 0 0 446.532 4.320 50 0 IIAARN COc1ccc(CN(C)C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033318099 557332827 /nfs/dbraw/zinc/33/28/27/557332827.db2.gz PJVKGKKWIHTINH-UHFFFAOYSA-N 0 0 429.476 4.450 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)cc1 ZINC000102530476 557342590 /nfs/dbraw/zinc/34/25/90/557342590.db2.gz ZYZFVZOBTAOAMS-UHFFFAOYSA-N 0 0 441.531 4.302 50 0 biogenic IIAARN COc1cc(C(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1OC ZINC000023332530 557345406 /nfs/dbraw/zinc/34/54/06/557345406.db2.gz LHAWBXOPAPBLFR-UHFFFAOYSA-N 0 0 437.496 4.091 50 0 IIAARN O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1ccc(F)cc1Cl ZINC000023351468 557350601 /nfs/dbraw/zinc/35/06/01/557350601.db2.gz PVKHNNLYWNJRIS-UHFFFAOYSA-N 0 0 444.963 4.359 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(OC)c1 ZINC000023461031 557360671 /nfs/dbraw/zinc/36/06/71/557360671.db2.gz MKEGUBRKRZAXSD-HSZRJFAPSA-N 0 0 442.519 4.474 50 0 IIAARN C[C@H](c1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000023483451 557363933 /nfs/dbraw/zinc/36/39/33/557363933.db2.gz MKGHSNXYPHODSN-OWCLPIDISA-N 0 0 436.025 4.425 50 0 IIAARN O=C(NC1CC1)[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)cc1 ZINC000011684114 557366571 /nfs/dbraw/zinc/36/65/71/557366571.db2.gz MNRZLCDZLZDSIV-MRXNPFEDSA-N 0 0 447.333 4.485 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nnn(-c3ccc(C)cc3)c1C)C[C@H](C)CC2 ZINC000011690080 557368515 /nfs/dbraw/zinc/36/85/15/557368515.db2.gz CFVPROJPZQOZSE-CQSZACIVSA-N 0 0 438.553 4.499 50 0 IIAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102761038 557385248 /nfs/dbraw/zinc/38/52/48/557385248.db2.gz NGTLWSVKRQPSLZ-WXFUMESZSA-N 0 0 428.488 4.445 50 0 IIAARN COc1cc([C@H]2CC(c3cccc(Br)c3)=Nc3ncnn32)cc(OC)c1OC ZINC000102793835 557388410 /nfs/dbraw/zinc/38/84/10/557388410.db2.gz MRCTTWCIKAQTSL-MRXNPFEDSA-N 0 0 443.301 4.122 50 0 IIAARN CCOc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)c2)nn1 ZINC000011694201 557393003 /nfs/dbraw/zinc/39/30/03/557393003.db2.gz JJYRGWGLIJZZCI-UHFFFAOYSA-N 0 0 440.525 4.000 50 0 IIAARN CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1nc(C)cs1 ZINC000102814713 557393402 /nfs/dbraw/zinc/39/34/02/557393402.db2.gz JXWDLWAAVCCJEH-MRXNPFEDSA-N 0 0 431.539 4.126 50 0 IIAARN O=C(/C=C\c1ccccc1)Oc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000033424383 557396429 /nfs/dbraw/zinc/39/64/29/557396429.db2.gz WLNMAQFTXWQUKP-KYFVDPIZSA-N 0 0 426.472 4.297 50 0 IIAARN CCC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000033445976 557398690 /nfs/dbraw/zinc/39/86/90/557398690.db2.gz IXWNLUNYHTWBEU-FQEVSTJZSA-N 0 0 432.561 4.142 50 0 IIAARN CCCCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nc2ccc(C)cc2s1 ZINC000102918599 557412365 /nfs/dbraw/zinc/41/23/65/557412365.db2.gz COEMDNVTYYSCQA-IAGOWNOFSA-N 0 0 427.570 4.303 50 0 IIAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N(Cc1ccco1)Cc1cccs1 ZINC000024460959 557414285 /nfs/dbraw/zinc/41/42/85/557414285.db2.gz WFJNDMMUHNHVHB-UHFFFAOYSA-N 0 0 438.530 4.232 50 0 IIAARN CCOCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC ZINC000033606329 557419199 /nfs/dbraw/zinc/41/91/99/557419199.db2.gz IYWZFSOGQMZJPB-UHFFFAOYSA-N 0 0 434.577 4.390 50 0 IIAARN CC(C)(C)OC(=O)NC1(CNC(=O)CCCn2c3ccccc3oc2=O)CCCCCC1 ZINC000024494278 557433989 /nfs/dbraw/zinc/43/39/89/557433989.db2.gz XILCEQMCMCJFON-UHFFFAOYSA-N 0 0 445.560 4.109 50 0 IIAARN O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000103533439 557438110 /nfs/dbraw/zinc/43/81/10/557438110.db2.gz QFBLJROSCCMYSS-LUKWVAJMSA-N 0 0 440.524 4.142 50 0 IIAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000103839065 557441710 /nfs/dbraw/zinc/44/17/10/557441710.db2.gz DJXNUXGMNYVXPC-IYOUNJFTSA-N 0 0 440.594 4.191 50 0 IIAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000096317396 557451640 /nfs/dbraw/zinc/45/16/40/557451640.db2.gz IDMMQRXDEKMNFK-UHFFFAOYSA-N 0 0 435.616 4.364 50 0 IIAARN CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005723704 557459806 /nfs/dbraw/zinc/45/98/06/557459806.db2.gz PXMGRYNNBNVZGO-FFJSVMBPSA-N 0 0 430.585 4.408 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)C1 ZINC000105008246 557471696 /nfs/dbraw/zinc/47/16/96/557471696.db2.gz INDPNGGZZBGCES-UKILVPOCSA-N 0 0 447.579 4.256 50 0 IIAARN CCc1cccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccccc4)no3)c2N)c1 ZINC000046914237 557513573 /nfs/dbraw/zinc/51/35/73/557513573.db2.gz MLLXKDXUXQYJDX-UHFFFAOYSA-N 0 0 434.525 4.105 50 0 IIAARN CSc1nn(CC(=O)Nc2cccc(C)c2C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046915213 557514094 /nfs/dbraw/zinc/51/40/94/557514094.db2.gz LUYHRJVSICDAJN-UHFFFAOYSA-N 0 0 448.552 4.468 50 0 IIAARN CCN(CC)c1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000047145849 557517303 /nfs/dbraw/zinc/51/73/03/557517303.db2.gz RVLADUHYYBDDIE-UHFFFAOYSA-N 0 0 431.515 4.395 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)C[C@@H](C)O1 ZINC000003166602 557531718 /nfs/dbraw/zinc/53/17/18/557531718.db2.gz LNHVVWDELZRBSP-CHWSQXEVSA-N 0 0 443.352 4.044 50 0 IIAARN CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000044928643 557541169 /nfs/dbraw/zinc/54/11/69/557541169.db2.gz FYDLBLUFAIMHLK-JOCHJYFZSA-N 0 0 439.471 4.142 50 0 IIAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NCCCOC(C)C)CC3)nn2)cc1 ZINC000045921387 557547342 /nfs/dbraw/zinc/54/73/42/557547342.db2.gz NRQOWVCHVARHJL-UHFFFAOYSA-N 0 0 428.602 4.084 50 0 IIAARN COc1cccc(Sc2ccc(N3CCC(C(=O)NCc4ccc(C)o4)CC3)nn2)c1 ZINC000045921734 557547497 /nfs/dbraw/zinc/54/74/97/557547497.db2.gz YFHAJTQZQVRESW-UHFFFAOYSA-N 0 0 438.553 4.071 50 0 IIAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc1OC ZINC000045974093 557555937 /nfs/dbraw/zinc/55/59/37/557555937.db2.gz ZRPKQCVTALTZEP-UHFFFAOYSA-N 0 0 429.520 4.223 50 0 IIAARN O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)NCc1cccc(-n2cccn2)c1 ZINC000039380448 557650583 /nfs/dbraw/zinc/65/05/83/557650583.db2.gz MXGHNBAIPGBWKC-XMMPIXPASA-N 0 0 444.560 4.186 50 0 IIAARN CCOC(=O)C1(COC)CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000225443735 557723359 /nfs/dbraw/zinc/72/33/59/557723359.db2.gz APJNSQUSJRSOAK-UHFFFAOYSA-N 0 0 436.961 4.204 50 0 IIAARN CN(C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1Cl ZINC000029045541 557731314 /nfs/dbraw/zinc/73/13/14/557731314.db2.gz LAUZVUZDQLTZLK-NRFANRHFSA-N 0 0 444.362 4.236 50 0 IIAARN CCOc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Br ZINC000225537837 557738487 /nfs/dbraw/zinc/73/84/87/557738487.db2.gz VMINRQNPFYAXND-UHFFFAOYSA-N 0 0 438.387 4.491 50 0 IIAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)CC1 ZINC000225539354 557738592 /nfs/dbraw/zinc/73/85/92/557738592.db2.gz ATFNVPGCTGLLRR-UHFFFAOYSA-N 0 0 432.586 4.037 50 0 IIAARN CCOC(=O)C[C@](C)(NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)C(C)C ZINC000225610855 557751465 /nfs/dbraw/zinc/75/14/65/557751465.db2.gz NWFLVJFNUWEGIJ-DEOSSOPVSA-N 0 0 425.529 4.453 50 0 IIAARN O=C(NCc1ncnn1-c1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000225614077 557752466 /nfs/dbraw/zinc/75/24/66/557752466.db2.gz NTTZXYDLXNJFCJ-UHFFFAOYSA-N 0 0 446.820 4.055 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000225659003 557758075 /nfs/dbraw/zinc/75/80/75/557758075.db2.gz BTOXJSVMXFBZDS-JOCHJYFZSA-N 0 0 446.526 4.122 50 0 IIAARN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000225680208 557762082 /nfs/dbraw/zinc/76/20/82/557762082.db2.gz AVODFLPFVAJUFO-OHQAAIJDSA-N 0 0 438.557 4.285 50 0 IIAARN CS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 ZINC000225708470 557766885 /nfs/dbraw/zinc/76/68/85/557766885.db2.gz LSPXGKVSJHEVSH-OAQYLSRUSA-N 0 0 429.538 4.379 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000225711152 557767387 /nfs/dbraw/zinc/76/73/87/557767387.db2.gz YGFRAVYEDXRKIC-CVEARBPZSA-N 0 0 432.362 4.155 50 0 IIAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3Br)n[nH]2)cc1 ZINC000000853581 557831024 /nfs/dbraw/zinc/83/10/24/557831024.db2.gz XCXQNJIQFBWSKT-UHFFFAOYSA-N 0 0 433.331 4.282 50 0 IIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1 ZINC000000865301 557839023 /nfs/dbraw/zinc/83/90/23/557839023.db2.gz GOQKUVBMOQOSBM-PKOBYXMFSA-N 0 0 430.430 4.482 50 0 IIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]21 ZINC000239433645 557844704 /nfs/dbraw/zinc/84/47/04/557844704.db2.gz YGJHETJKGOEWDE-RFVSGWPVSA-N 0 0 437.879 4.081 50 0 IIAARN COc1ccc(Br)c(NC(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)c1 ZINC000240465775 557845333 /nfs/dbraw/zinc/84/53/33/557845333.db2.gz GADWWFWJLIFKEZ-MRXNPFEDSA-N 0 0 446.267 4.300 50 0 IIAARN NC(=O)CCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 ZINC000241139410 557845933 /nfs/dbraw/zinc/84/59/33/557845933.db2.gz JQQLVACVOLBHTF-UHFFFAOYSA-N 0 0 426.782 4.404 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1cc(NCc2ccccc2OCc2ccccn2)ccc1F ZINC000241287529 557846240 /nfs/dbraw/zinc/84/62/40/557846240.db2.gz LMGACNOWPGHNFK-UHFFFAOYSA-N 0 0 443.544 4.489 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000241644471 557846898 /nfs/dbraw/zinc/84/68/98/557846898.db2.gz PRAVPOLHNVFSPT-JFOHDYCDSA-N 0 0 430.770 4.412 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)s1 ZINC000241961347 557847296 /nfs/dbraw/zinc/84/72/96/557847296.db2.gz URQAEGACZQTDDW-KRWDZBQOSA-N 0 0 445.591 4.481 50 0 IIAARN COc1ccc2[nH]cc(CC(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)c2c1 ZINC000242304989 557847514 /nfs/dbraw/zinc/84/75/14/557847514.db2.gz YTVKYIMFCXYDFQ-UHFFFAOYSA-N 0 0 432.442 4.248 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2cccnc2)cc1 ZINC000000875807 557848128 /nfs/dbraw/zinc/84/81/28/557848128.db2.gz INYFPGJHUJUWLX-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000884608 557854731 /nfs/dbraw/zinc/85/47/31/557854731.db2.gz YVRVWQWDVHYAEL-MOPGFXCFSA-N 0 0 446.477 4.132 50 0 IIAARN Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000885104 557855107 /nfs/dbraw/zinc/85/51/07/557855107.db2.gz ZIBUWBRQNJUKET-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000894865 557862753 /nfs/dbraw/zinc/86/27/53/557862753.db2.gz IPJFSJOOSSRHKM-UHFFFAOYSA-N 0 0 427.478 4.480 50 0 IIAARN CC(=O)c1nnn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCC3)n2)c1C ZINC000001080755 562920426 /nfs/dbraw/zinc/92/04/26/562920426.db2.gz KMLLHTISSSBXGJ-UHFFFAOYSA-N 0 0 440.511 4.033 50 0 IIAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O ZINC000001129803 562920542 /nfs/dbraw/zinc/92/05/42/562920542.db2.gz PFKLCTGUQJLWFJ-UHFFFAOYSA-N 0 0 425.437 4.123 50 0 biogenic IIAARN COc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1 ZINC000001386374 562921595 /nfs/dbraw/zinc/92/15/95/562921595.db2.gz RJSFZJHQSQJXNS-UHFFFAOYSA-N 0 0 445.306 4.107 50 0 IIAARN CC(C)Oc1cccc(NC(=O)c2cccn(Cc3ccc4c(c3)OC(F)(F)O4)c2=O)c1 ZINC000001391171 562921640 /nfs/dbraw/zinc/92/16/40/562921640.db2.gz YJVOPYAWBGDKJV-UHFFFAOYSA-N 0 0 442.418 4.258 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3C)o2)c1 ZINC000002618056 562928385 /nfs/dbraw/zinc/92/83/85/562928385.db2.gz RIJREDFJPNNFFC-UHFFFAOYSA-N 0 0 447.582 4.247 50 0 IIAARN Cc1cc(NC(=O)COC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)no1 ZINC000002643940 562929173 /nfs/dbraw/zinc/92/91/73/562929173.db2.gz LHAKKUYATKQKCW-INIZCTEOSA-N 0 0 433.814 4.274 50 0 IIAARN COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(OC)c(OC)cc21 ZINC000002690560 562929750 /nfs/dbraw/zinc/92/97/50/562929750.db2.gz DZXOSGUYQQXCLH-UHFFFAOYSA-N 0 0 429.472 4.307 50 0 IIAARN CC[C@@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1)N(C)C ZINC000002726019 562930105 /nfs/dbraw/zinc/93/01/05/562930105.db2.gz KTNSZBJIQMJEGJ-INIZCTEOSA-N 0 0 430.965 4.059 50 0 IIAARN CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)cc1 ZINC000003056773 562932373 /nfs/dbraw/zinc/93/23/73/562932373.db2.gz ITHTVAOJVIPHQM-UHFFFAOYSA-N 0 0 446.938 4.229 50 0 IIAARN Cc1cccc(-n2c(SCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 ZINC000003418010 562935453 /nfs/dbraw/zinc/93/54/53/562935453.db2.gz DNRBCWQDUMLWOW-UHFFFAOYSA-N 0 0 427.485 4.040 50 0 aggregator IIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000003425413 562935649 /nfs/dbraw/zinc/93/56/49/562935649.db2.gz NXPPFTCHPQIXGW-UHFFFAOYSA-N 0 0 443.547 4.286 50 0 IIAARN Nn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl ZINC000003468410 562936150 /nfs/dbraw/zinc/93/61/50/562936150.db2.gz XDTNFHOSCHLMPN-QGZVFWFLSA-N 0 0 448.379 4.252 50 0 IIAARN COc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2)cc1OC ZINC000004100887 562941801 /nfs/dbraw/zinc/94/18/01/562941801.db2.gz JOSBWSOBVSTYMY-VWLOTQADSA-N 0 0 436.552 4.339 50 0 IIAARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000004142183 562942251 /nfs/dbraw/zinc/94/22/51/562942251.db2.gz KSDJIBVCBHSLLZ-QGZVFWFLSA-N 0 0 433.473 4.159 50 0 IIAARN O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000004144040 562942316 /nfs/dbraw/zinc/94/23/16/562942316.db2.gz FYYJXLAIXCDPGS-UHFFFAOYSA-N 0 0 430.485 4.430 50 0 aggregator IIAARN Cc1c(C(=O)Nc2ccccc2)sc2[nH]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588204 562950699 /nfs/dbraw/zinc/95/06/99/562950699.db2.gz HSENZLWBKNIOGG-UHFFFAOYSA-N 0 0 429.457 4.319 50 0 IIAARN COc1ccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c(OC)c1 ZINC000008596170 562953751 /nfs/dbraw/zinc/95/37/51/562953751.db2.gz KNSIWJMPAAWKIN-UHFFFAOYSA-N 0 0 425.485 4.388 50 0 IIAARN CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)o1 ZINC000008597294 562953979 /nfs/dbraw/zinc/95/39/79/562953979.db2.gz NHZWDXOMUYIMNJ-UHFFFAOYSA-N 0 0 431.941 4.442 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000008598707 562954381 /nfs/dbraw/zinc/95/43/81/562954381.db2.gz LDOHKYVCARKDOY-UHFFFAOYSA-N 0 0 443.455 4.027 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NC3CCCCC3)c2n1 ZINC000008599287 562954665 /nfs/dbraw/zinc/95/46/65/562954665.db2.gz BMHFMNYRAKCZTD-UHFFFAOYSA-N 0 0 437.927 4.038 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601385 562955290 /nfs/dbraw/zinc/95/52/90/562955290.db2.gz XCGTVLWUZNVZQF-LJQANCHMSA-N 0 0 437.945 4.415 50 0 IIAARN CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccccc1Cl ZINC000008604972 562956478 /nfs/dbraw/zinc/95/64/78/562956478.db2.gz GSUDUDOGHLWMCX-UHFFFAOYSA-N 0 0 427.906 4.349 50 0 IIAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccc(OC)cc1 ZINC000008608716 562957489 /nfs/dbraw/zinc/95/74/89/562957489.db2.gz RMWBYVVXUIHYCO-UHFFFAOYSA-N 0 0 440.546 4.323 50 0 IIAARN CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 ZINC000008610657 562958231 /nfs/dbraw/zinc/95/82/31/562958231.db2.gz OWMVXYZGRWFVSU-UHFFFAOYSA-N 0 0 446.526 4.234 50 0 IIAARN CC[C@@H](C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000008612241 562959115 /nfs/dbraw/zinc/95/91/15/562959115.db2.gz ZCXLMXWSRIUXPS-GFCCVEGCSA-N 0 0 441.477 4.025 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000008614121 562959532 /nfs/dbraw/zinc/95/95/32/562959532.db2.gz IOTZBWQWALCOHT-UHFFFAOYSA-N 0 0 449.532 4.468 50 0 IIAARN CCCOC(=O)c1cccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c1 ZINC000008614966 562959629 /nfs/dbraw/zinc/95/96/29/562959629.db2.gz IGVTZFBKESQNHH-UHFFFAOYSA-N 0 0 434.521 4.489 50 0 IIAARN Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008670412 562960636 /nfs/dbraw/zinc/96/06/36/562960636.db2.gz MRGGLPVOIYGMLU-UHFFFAOYSA-N 0 0 439.518 4.239 50 0 aggregator IIAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000008860272 562965324 /nfs/dbraw/zinc/96/53/24/562965324.db2.gz FLPDMOLLLVOGMO-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)Nc1ccccc1Cl ZINC000009046224 562966678 /nfs/dbraw/zinc/96/66/78/562966678.db2.gz COQQSMINYZTOLI-FQEVSTJZSA-N 0 0 425.916 4.228 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccc(CCO)cc4)ccc32)cc1 ZINC000009065325 562966852 /nfs/dbraw/zinc/96/68/52/562966852.db2.gz APHFUHMJEXVJFS-UHFFFAOYSA-N 0 0 445.471 4.021 50 0 biogenic IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccs3)C2)c1 ZINC000009126940 562967524 /nfs/dbraw/zinc/96/75/24/562967524.db2.gz ZPSFVDJINHRFPU-IBGZPJMESA-N 0 0 425.535 4.111 50 0 IIAARN Cc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)c(Br)c2n1 ZINC000012954096 562983664 /nfs/dbraw/zinc/98/36/64/562983664.db2.gz MIHIWLMZBXPEFW-UHFFFAOYSA-N 0 0 428.134 4.238 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(N(C)C)cc2)cs1 ZINC000009573675 562973384 /nfs/dbraw/zinc/97/33/84/562973384.db2.gz WPZFGJHMTQSCDO-UHFFFAOYSA-N 0 0 425.514 4.043 50 0 IIAARN Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2cccs2)cc1 ZINC000009673752 562975258 /nfs/dbraw/zinc/97/52/58/562975258.db2.gz ZWDFCUJSKFMYMB-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713498 562975761 /nfs/dbraw/zinc/97/57/61/562975761.db2.gz NFSNGXRIARSWGF-UHFFFAOYSA-N 0 0 440.569 4.116 50 0 IIAARN COc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1OCc1c(C)noc1C ZINC000009821142 562977217 /nfs/dbraw/zinc/97/72/17/562977217.db2.gz GDNWEKCJKDOGNF-UHFFFAOYSA-N 0 0 430.888 4.341 50 0 IIAARN CCOc1ccc(Oc2ccccc2NC(=O)CSCC(=O)Nc2cc(C)on2)cc1 ZINC000013020835 562984174 /nfs/dbraw/zinc/98/41/74/562984174.db2.gz RFYDEIYNNAUJSB-UHFFFAOYSA-N 0 0 441.509 4.484 50 0 IIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000015326128 563017801 /nfs/dbraw/zinc/01/78/01/563017801.db2.gz KYCJPKKLNRTWRG-UHFFFAOYSA-N 0 0 430.932 4.228 50 0 IIAARN O=C(NCCN1CCOCC1)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000020105640 563023621 /nfs/dbraw/zinc/02/36/21/563023621.db2.gz ICWUJZGHYABIQC-UHFFFAOYSA-N 0 0 427.957 4.101 50 0 IIAARN CC1CCN(c2nc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3s2)CC1 ZINC000020415016 563024664 /nfs/dbraw/zinc/02/46/64/563024664.db2.gz HGNATFYYPPTOPR-UHFFFAOYSA-N 0 0 434.609 4.491 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000025436323 563027498 /nfs/dbraw/zinc/02/74/98/563027498.db2.gz BCJIVCIRMMYWCD-JXMROGBWSA-N 0 0 431.536 4.342 50 0 IIAARN COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000036385052 563094373 /nfs/dbraw/zinc/09/43/73/563094373.db2.gz PTQBYEDGNXGMCF-ZIAGYGMSSA-N 0 0 438.355 4.138 50 0 IIAARN O=C(CCCc1nc2ccccc2s1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948177 568629074 /nfs/dbraw/zinc/62/90/74/568629074.db2.gz BWWNOQVBAMRVTK-UHFFFAOYSA-N 0 0 449.532 4.476 50 0 IIAARN COc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3C3CC3)sc2c1 ZINC000018964427 568629841 /nfs/dbraw/zinc/62/98/41/568629841.db2.gz AZHYPDMODNTUSN-UHFFFAOYSA-N 0 0 438.534 4.081 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015045412 568634544 /nfs/dbraw/zinc/63/45/44/568634544.db2.gz DOXMJCLVFYFKNS-ZDUSSCGKSA-N 0 0 436.339 4.377 50 0 IIAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1SCC(F)(F)F ZINC000025089815 568636060 /nfs/dbraw/zinc/63/60/60/568636060.db2.gz WVYONMFIGDSFAU-UHFFFAOYSA-N 0 0 430.835 4.359 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 ZINC000000925292 568637745 /nfs/dbraw/zinc/63/77/45/568637745.db2.gz LMGFLCHKPYJGEJ-UHFFFAOYSA-N 0 0 437.550 4.151 50 0 IIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc4nsnc43)cc2)cc1 ZINC000019077431 568638491 /nfs/dbraw/zinc/63/84/91/568638491.db2.gz QLCGVXIYYYPGLL-UHFFFAOYSA-N 0 0 447.472 4.079 50 0 IIAARN Cc1cc(I)ccc1NC(=O)COc1ccccc1Br ZINC000000943101 568641931 /nfs/dbraw/zinc/64/19/31/568641931.db2.gz AOVMVIMTKZPAMJ-UHFFFAOYSA-N 0 0 446.082 4.380 50 0 IIAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2ncnc2N1 ZINC000000944349 568642980 /nfs/dbraw/zinc/64/29/80/568642980.db2.gz HKZYDNFSUPVOPZ-KRWDZBQOSA-N 0 0 428.265 4.107 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3C)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959890 568646399 /nfs/dbraw/zinc/64/63/99/568646399.db2.gz USNLSIDIZRXRNE-UHFFFAOYSA-N 0 0 430.533 4.387 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCC2 ZINC000000954957 568647045 /nfs/dbraw/zinc/64/70/45/568647045.db2.gz QHIUIHTYLLINQL-JLHYYAGUSA-N 0 0 443.521 4.007 50 0 IIAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](Sc5ncccn5)C4=O)cc3)sc2c1 ZINC000001010227 568651864 /nfs/dbraw/zinc/65/18/64/568651864.db2.gz UNSHVRDMCDIKAU-SFHVURJKSA-N 0 0 432.530 4.486 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000001087575 568657764 /nfs/dbraw/zinc/65/77/64/568657764.db2.gz SYULGBNXQHZYIH-QHCPKHFHSA-N 0 0 430.508 4.381 50 0 IIAARN O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N1CCCC1 ZINC000001094921 568658476 /nfs/dbraw/zinc/65/84/76/568658476.db2.gz CIJRCRMEQIYLKC-UHFFFAOYSA-N 0 0 437.546 4.422 50 0 IIAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001099289 568658940 /nfs/dbraw/zinc/65/89/40/568658940.db2.gz WKXGYFAKUQCDLL-UHFFFAOYSA-N 0 0 440.590 4.229 50 0 IIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000001102723 568660400 /nfs/dbraw/zinc/66/04/00/568660400.db2.gz JVVDSGYIWIRUDR-HNNXBMFYSA-N 0 0 426.372 4.493 50 0 IIAARN CC(C)C(=O)N1CCC(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000025467539 568660598 /nfs/dbraw/zinc/66/05/98/568660598.db2.gz FPNNLUPGWRCRMI-UHFFFAOYSA-N 0 0 444.579 4.392 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4c[nH]c5ccccc54)o3)ccc21 ZINC000031685509 568741692 /nfs/dbraw/zinc/74/16/92/568741692.db2.gz LQVRYNNHHYHSOD-ZDUSSCGKSA-N 0 0 432.505 4.490 50 0 IIAARN Cc1cnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)s1 ZINC000001223940 568742198 /nfs/dbraw/zinc/74/21/98/568742198.db2.gz IHQMQMIDPVDBPR-UHFFFAOYSA-N 0 0 442.957 4.478 50 0 IIAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccnc1 ZINC000001912339 568742261 /nfs/dbraw/zinc/74/22/61/568742261.db2.gz HAPAGUMOLFYYGG-UHFFFAOYSA-N 0 0 434.279 4.382 50 0 IIAARN O=C(Nc1cccc(O)c1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001953625 568742413 /nfs/dbraw/zinc/74/24/13/568742413.db2.gz GPPAVSRKCNQJEY-UHFFFAOYSA-N 0 0 447.878 4.076 50 0 IIAARN COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003271799 568744854 /nfs/dbraw/zinc/74/48/54/568744854.db2.gz XKGDVIIZLCXOKS-UHFFFAOYSA-N 0 0 434.823 4.280 50 0 IIAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(-c2ccccc2)on1 ZINC000043990332 568745184 /nfs/dbraw/zinc/74/51/84/568745184.db2.gz AUENREKYKSKFJH-UHFFFAOYSA-N 0 0 429.476 4.370 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003290966 568745374 /nfs/dbraw/zinc/74/53/74/568745374.db2.gz CWUACCBLLRCQIV-UHFFFAOYSA-N 0 0 439.537 4.230 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NC1CCCC1 ZINC000003324915 568745999 /nfs/dbraw/zinc/74/59/99/568745999.db2.gz VFGQWNIJAYCWQC-UHFFFAOYSA-N 0 0 427.957 4.249 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000044035842 568746230 /nfs/dbraw/zinc/74/62/30/568746230.db2.gz LCCVFOFNYMALLS-UHFFFAOYSA-N 0 0 428.838 4.357 50 0 IIAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 ZINC000044036994 568746258 /nfs/dbraw/zinc/74/62/58/568746258.db2.gz VKDHGDGOODBYOX-UHFFFAOYSA-N 0 0 442.559 4.373 50 0 IIAARN CCc1cccc(CC)c1NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003360774 568747107 /nfs/dbraw/zinc/74/71/07/568747107.db2.gz DZFPWNKSFCRMKD-UHFFFAOYSA-N 0 0 444.531 4.390 50 0 IIAARN CCOc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2F)cc1 ZINC000003551195 568750652 /nfs/dbraw/zinc/75/06/52/568750652.db2.gz KRUZRZRGFIZTSH-UHFFFAOYSA-N 0 0 426.517 4.187 50 0 IIAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OCC ZINC000003655711 568753335 /nfs/dbraw/zinc/75/33/35/568753335.db2.gz LKAVOPQNUNVYLZ-IBGZPJMESA-N 0 0 449.488 4.192 50 0 IIAARN CCOC(=O)[C@@H](NC=O)[C@@H](OC(=O)CC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000003669528 568754107 /nfs/dbraw/zinc/75/41/07/568754107.db2.gz MCNNPNFQLIKQPZ-UIOOFZCWSA-N 0 0 443.499 4.151 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)[C@@H]4CCCO4)c(C)o3)c2)s1 ZINC000299759943 568755769 /nfs/dbraw/zinc/75/57/69/568755769.db2.gz PPIZOLBKKQPHKA-SFHVURJKSA-N 0 0 425.510 4.067 50 0 IIAARN Cc1c(C(=O)N(C)CCc2ccccc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299793685 568757695 /nfs/dbraw/zinc/75/76/95/568757695.db2.gz ILNUHVIGSSIANV-UHFFFAOYSA-N 0 0 437.547 4.441 50 0 IIAARN COc1ccc2occ([C@@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)c(=O)c2c1 ZINC000263586895 568759839 /nfs/dbraw/zinc/75/98/39/568759839.db2.gz ZIXRDYGUZYWEQU-INIZCTEOSA-N 0 0 444.439 4.146 50 0 biogenic IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015391211 568761561 /nfs/dbraw/zinc/76/15/61/568761561.db2.gz JWIPVGZCFGEMOI-MRXNPFEDSA-N 0 0 436.961 4.229 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263616183 568776462 /nfs/dbraw/zinc/77/64/62/568776462.db2.gz HMXKWVABMGEBLX-QGZVFWFLSA-N 0 0 431.265 4.012 50 0 IIAARN COc1ccc(Br)cc1/C=C1\SC(=N)N(c2ccc3c(c2)OCO3)C1=O ZINC000083319135 568779691 /nfs/dbraw/zinc/77/96/91/568779691.db2.gz VZQYJYBWQSSWCB-BDVOGXNHSA-N 0 0 433.283 4.242 50 0 IIAARN COc1c2c(c(NC(=O)c3ccccc3CCc3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000032124055 568781470 /nfs/dbraw/zinc/78/14/70/568781470.db2.gz IHCOMFAVWBMAQG-UHFFFAOYSA-N 0 0 444.531 4.449 50 0 biogenic IIAARN Cc1cccc(C)c1OC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1 ZINC000001394020 568785580 /nfs/dbraw/zinc/78/55/80/568785580.db2.gz ZUFVZQOBZUZXSL-UHFFFAOYSA-N 0 0 431.460 4.383 50 0 IIAARN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000083938040 568786068 /nfs/dbraw/zinc/78/60/68/568786068.db2.gz HLZLKYNGLLNZCU-NRFANRHFSA-N 0 0 428.410 4.151 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3F)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000001407886 568787297 /nfs/dbraw/zinc/78/72/97/568787297.db2.gz LSARDUSYTDLNDS-UHFFFAOYSA-N 0 0 434.496 4.217 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c(C)c1C ZINC000084008095 568789674 /nfs/dbraw/zinc/78/96/74/568789674.db2.gz SKDHGYIFZCHEQC-GOSISDBHSA-N 0 0 442.002 4.079 50 0 IIAARN Cc1c(C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000084044923 568790070 /nfs/dbraw/zinc/79/00/70/568790070.db2.gz WEOKSBROCKTSDW-UHFFFAOYSA-N 0 0 446.429 4.031 50 0 IIAARN O=C(Cn1c(=O)sc2ccccc21)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000001425741 568793760 /nfs/dbraw/zinc/79/37/60/568793760.db2.gz XAEXJCAVBZSUNZ-UHFFFAOYSA-N 0 0 425.413 4.210 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000001431062 568794571 /nfs/dbraw/zinc/79/45/71/568794571.db2.gz ANISYZJNZQZZHP-YVLHZVERSA-N 0 0 444.281 4.426 50 0 IIAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](CCO)c4ccccc4)c(=O)c23)cc1 ZINC000084172025 568795464 /nfs/dbraw/zinc/79/54/64/568795464.db2.gz OJQTZJMTMIBXEC-NRFANRHFSA-N 0 0 447.560 4.063 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1cc(Cl)ccc1F ZINC000015544356 568797507 /nfs/dbraw/zinc/79/75/07/568797507.db2.gz BRAMTHUOCYPWJP-UHFFFAOYSA-N 0 0 447.919 4.430 50 0 IIAARN O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)(F)F ZINC000084507125 568798432 /nfs/dbraw/zinc/79/84/32/568798432.db2.gz VRSNLFNLCLAXDT-UHFFFAOYSA-N 0 0 436.249 4.315 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(F)cc2C)cc1 ZINC000015608058 568799576 /nfs/dbraw/zinc/79/95/76/568799576.db2.gz RWOAEMQANKXTJL-QHCPKHFHSA-N 0 0 438.524 4.197 50 0 IIAARN C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1cc(F)c(Cl)cc1Cl ZINC000084647421 568799622 /nfs/dbraw/zinc/79/96/22/568799622.db2.gz DBQGTHTVTKQXGC-HNOLUEMASA-N 0 0 434.364 4.036 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccccc1C)CC(=O)N2 ZINC000015670387 568802366 /nfs/dbraw/zinc/80/23/66/568802366.db2.gz MRYKFTZSNWTETB-GOSISDBHSA-N 0 0 430.899 4.469 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000015670567 568802506 /nfs/dbraw/zinc/80/25/06/568802506.db2.gz OAWRXCAQIMXKCD-LJQANCHMSA-N 0 0 428.471 4.263 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3Cl)n2)c1 ZINC000015670536 568802525 /nfs/dbraw/zinc/80/25/25/568802525.db2.gz MSBDSLQUODVSOU-QGZVFWFLSA-N 0 0 446.898 4.169 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000015678021 568804991 /nfs/dbraw/zinc/80/49/91/568804991.db2.gz PFBXEXXTMJAQTE-UHFFFAOYSA-N 0 0 425.897 4.494 50 0 IIAARN O=C(CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCCCc1ccccc1 ZINC000015677906 568805033 /nfs/dbraw/zinc/80/50/33/568805033.db2.gz DAQARBBQMHYLAS-XMMPIXPASA-N 0 0 429.520 4.078 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1 ZINC000015678473 568805238 /nfs/dbraw/zinc/80/52/38/568805238.db2.gz WEHNKDWNHBQJGW-UHFFFAOYSA-N 0 0 444.535 4.335 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3F)CC2)c(C)c1 ZINC000219164382 568811332 /nfs/dbraw/zinc/81/13/32/568811332.db2.gz FQJKXWANPCIALI-LJQANCHMSA-N 0 0 436.574 4.352 50 0 IIAARN COc1ccc([C@H](CC(=O)N2CCc3ccccc32)N2Cc3ccccc3C2=O)cc1OC ZINC000015721271 568811899 /nfs/dbraw/zinc/81/18/99/568811899.db2.gz APOPSPFLFNMNQI-QHCPKHFHSA-N 0 0 442.515 4.380 50 0 IIAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCC1=CCCCC1 ZINC000015722558 568812111 /nfs/dbraw/zinc/81/21/11/568812111.db2.gz RAPIXMZOVLVMQL-UHFFFAOYSA-N 0 0 443.613 4.213 50 0 IIAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(C)c1 ZINC000015728101 568812955 /nfs/dbraw/zinc/81/29/55/568812955.db2.gz KACZZLOFELDYNX-GOSISDBHSA-N 0 0 438.601 4.339 50 0 IIAARN CCOC(=O)c1sc2[nH]c(C=Cc3ccc(OC(F)F)c(OC)c3)nc(=O)c2c1C ZINC000005919731 568813970 /nfs/dbraw/zinc/81/39/70/568813970.db2.gz LYOZAWQXUSNMEY-SOFGYWHQSA-N 0 0 436.436 4.250 50 0 IIAARN COc1cc(Cl)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(OC)c1 ZINC000015733808 568815977 /nfs/dbraw/zinc/81/59/77/568815977.db2.gz CERBDHVLMSJRSL-UHFFFAOYSA-N 0 0 448.928 4.467 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCOc4ccc(Cl)cc43)s2)C1 ZINC000015735075 568816728 /nfs/dbraw/zinc/81/67/28/568816728.db2.gz GUNUUZKQVLTJLK-CQSZACIVSA-N 0 0 434.945 4.347 50 0 IIAARN COc1ccc(-c2coc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)cc1OC ZINC000001448154 568817514 /nfs/dbraw/zinc/81/75/14/568817514.db2.gz JGILJBWCNFRNGM-UHFFFAOYSA-N 0 0 446.411 4.425 50 0 biogenic IIAARN COc1ccccc1NC(=O)/C(=C/c1cccc(OC)c1OC)NC(=O)c1ccccc1 ZINC000015773973 568823027 /nfs/dbraw/zinc/82/30/27/568823027.db2.gz TYYVRBFJOBMQHC-SILNSSARSA-N 0 0 432.476 4.122 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)CCc2ccccc2)c2cccs2)cc1 ZINC000015780848 568825220 /nfs/dbraw/zinc/82/52/20/568825220.db2.gz DUDMGYVZPWTZNQ-OAQYLSRUSA-N 0 0 429.563 4.021 50 0 IIAARN Cc1ccc2ccc3cc(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)[nH]c3c2n1 ZINC000085577769 568825306 /nfs/dbraw/zinc/82/53/06/568825306.db2.gz HLJVIHXKJVOKDE-UHFFFAOYSA-N 0 0 447.970 4.230 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000085712609 568835614 /nfs/dbraw/zinc/83/56/14/568835614.db2.gz AXLPFQOCRDTMQG-UHFFFAOYSA-N 0 0 444.528 4.338 50 0 IIAARN COc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015824326 568840357 /nfs/dbraw/zinc/84/03/57/568840357.db2.gz KCYVOUALRAAHEP-UHFFFAOYSA-N 0 0 430.917 4.152 50 0 IIAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2ccc(C)cc2C)c1=O ZINC000015831405 568841635 /nfs/dbraw/zinc/84/16/35/568841635.db2.gz JQEPFPKXWHURNV-UHFFFAOYSA-N 0 0 445.342 4.225 50 0 IIAARN CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347266 568844115 /nfs/dbraw/zinc/84/41/15/568844115.db2.gz BPYSIBBIDTVCQX-BXOLVYLASA-N 0 0 434.617 4.135 50 0 IIAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl ZINC000015858413 568846616 /nfs/dbraw/zinc/84/66/16/568846616.db2.gz APNAGLSVNXPAAL-ZDUSSCGKSA-N 0 0 434.945 4.030 50 0 IIAARN CNC(=O)c1ccc(CN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)C2CC2)cc1 ZINC000026116853 568849691 /nfs/dbraw/zinc/84/96/91/568849691.db2.gz FBNRPBPFJHTNCS-UHFFFAOYSA-N 0 0 432.520 4.241 50 0 IIAARN Cc1cccc(N2CCN(c3c(C)c(C)nc4nc(Cc5cccc(F)c5)nn43)C[C@H]2C)c1 ZINC000015865154 568849946 /nfs/dbraw/zinc/84/99/46/568849946.db2.gz AMKUYRDPQLOIFP-GOSISDBHSA-N 0 0 444.558 4.495 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865565 568850323 /nfs/dbraw/zinc/85/03/23/568850323.db2.gz HZGLXHOTOFVZIQ-UHFFFAOYSA-N 0 0 435.867 4.188 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 ZINC000015882226 568856796 /nfs/dbraw/zinc/85/67/96/568856796.db2.gz AFYNNWHNUQOUJA-UHFFFAOYSA-N 0 0 438.553 4.333 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccc(Br)cc2)c1=O ZINC000015882912 568857455 /nfs/dbraw/zinc/85/74/55/568857455.db2.gz GRXMURDLPVZYTP-UHFFFAOYSA-N 0 0 437.215 4.329 50 0 IIAARN O=C(c1cccc(Br)c1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414552 568862270 /nfs/dbraw/zinc/86/22/70/568862270.db2.gz BDVLGJWVMQOYHI-QGZVFWFLSA-N 0 0 442.762 4.105 50 0 IIAARN COCCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 ZINC000012939886 568868437 /nfs/dbraw/zinc/86/84/37/568868437.db2.gz URNZRBQEDCQARY-MRXNPFEDSA-N 0 0 436.537 4.307 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O)c1nc2ccccc2[nH]1 ZINC000575443567 568869629 /nfs/dbraw/zinc/86/96/29/568869629.db2.gz PLVYCSPASCMJJU-QXATTWAWSA-N 0 0 436.556 4.038 50 0 IIAARN COC(=O)c1cc(Br)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000575444445 568869977 /nfs/dbraw/zinc/86/99/77/568869977.db2.gz RMQVHMZKDYWMFT-UHFFFAOYSA-N 0 0 428.323 4.262 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1nnc(COC(=O)c2cc3c(s2)CCCCC3)s1 ZINC000012948029 568871450 /nfs/dbraw/zinc/87/14/50/568871450.db2.gz JEAIVKNSCJJMCN-UHFFFAOYSA-N 0 0 445.541 4.295 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cs2)cc1 ZINC000012947688 568871520 /nfs/dbraw/zinc/87/15/20/568871520.db2.gz ZODFXSDWMYZPIS-UHFFFAOYSA-N 0 0 427.957 4.430 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950156 568871945 /nfs/dbraw/zinc/87/19/45/568871945.db2.gz YOQLOYQURBIBES-LJQANCHMSA-N 0 0 430.552 4.017 50 0 IIAARN NS(=O)(=O)c1cccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 ZINC000016200121 568872480 /nfs/dbraw/zinc/87/24/80/568872480.db2.gz XFAYLFWSFZFKJG-UHFFFAOYSA-N 0 0 436.411 4.397 50 0 IIAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000016297902 568876148 /nfs/dbraw/zinc/87/61/48/568876148.db2.gz FENSTWBFGFKJNN-UHFFFAOYSA-N 0 0 435.430 4.227 50 0 IIAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000026437869 568877556 /nfs/dbraw/zinc/87/75/56/568877556.db2.gz UNHPFHMIXCAQOH-IBGZPJMESA-N 0 0 435.549 4.121 50 0 IIAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000575609859 568878929 /nfs/dbraw/zinc/87/89/29/568878929.db2.gz IRWQQPZTWIMETA-SFHVURJKSA-N 0 0 434.439 4.222 50 0 IIAARN Cc1nn(CCNC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1-c1cccs1 ZINC000575613245 568879733 /nfs/dbraw/zinc/87/97/33/568879733.db2.gz YKTXJUHCFOWDKT-UHFFFAOYSA-N 0 0 425.554 4.137 50 0 IIAARN COc1ccc(Br)c(C(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)c1 ZINC000575613434 568879814 /nfs/dbraw/zinc/87/98/14/568879814.db2.gz HOLJSJCKIVJMCS-SFHVURJKSA-N 0 0 434.359 4.352 50 0 IIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000037341847 568880888 /nfs/dbraw/zinc/88/08/88/568880888.db2.gz FIHACZMHSSXMDQ-CECAUBDESA-N 0 0 443.927 4.379 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000006289635 568881907 /nfs/dbraw/zinc/88/19/07/568881907.db2.gz MEJZDKFHXGJAND-UHFFFAOYSA-N 0 0 437.912 4.209 50 0 IIAARN COc1ccccc1/C=C(/C(=O)OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 ZINC000009988040 568884293 /nfs/dbraw/zinc/88/42/93/568884293.db2.gz OGMOEUDKOVECJT-HYARGMPZSA-N 0 0 426.472 4.296 50 0 IIAARN CCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012979153 568891826 /nfs/dbraw/zinc/89/18/26/568891826.db2.gz ZKLPEFCIUSBRLN-UHFFFAOYSA-N 0 0 442.581 4.004 50 0 IIAARN COc1ccc(CCNC(=O)COc2ccc3cc(Br)ccc3c2)cc1OC ZINC000012978578 568891873 /nfs/dbraw/zinc/89/18/73/568891873.db2.gz ODMNQAQFJSYQKS-UHFFFAOYSA-N 0 0 444.325 4.357 50 0 IIAARN CCOc1ccc(/C=C/C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)cc1OC ZINC000032691668 568895962 /nfs/dbraw/zinc/89/59/62/568895962.db2.gz AVXWDRNWFYOLFJ-PKNBQFBNSA-N 0 0 436.489 4.073 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000012999073 568897845 /nfs/dbraw/zinc/89/78/45/568897845.db2.gz AFYMZMIBHDTREM-MRXNPFEDSA-N 0 0 437.565 4.198 50 0 IIAARN COc1cc(CCC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000013003943 568898633 /nfs/dbraw/zinc/89/86/33/568898633.db2.gz MSBSCMLMFSWGQH-INIZCTEOSA-N 0 0 437.492 4.369 50 0 IIAARN Clc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)no2)cc1 ZINC000013010132 568899713 /nfs/dbraw/zinc/89/97/13/568899713.db2.gz AGUKMENHYSJMFS-INIZCTEOSA-N 0 0 446.964 4.053 50 0 IIAARN Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cnn1-c1ccccc1F ZINC000013012373 568901201 /nfs/dbraw/zinc/90/12/01/568901201.db2.gz QHSXYGUQFGOMKR-UHFFFAOYSA-N 0 0 435.286 4.337 50 0 IIAARN Cc1cccc(C(=O)NN2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000137436198 568909266 /nfs/dbraw/zinc/90/92/66/568909266.db2.gz DGIPIXVOSCFGRT-OJJQZRKESA-N 0 0 436.511 4.378 50 0 IIAARN CCN(CC)C(=O)c1sc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C(=O)OC)c1C ZINC000239287409 568910933 /nfs/dbraw/zinc/91/09/33/568910933.db2.gz CSJUBGQADWBIBN-UMVBOHGHSA-N 0 0 439.647 4.436 50 0 IIAARN C[C@@H](NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000239439328 568911644 /nfs/dbraw/zinc/91/16/44/568911644.db2.gz ZTVHNYJQXSQFLL-APWZRJJASA-N 0 0 437.565 4.472 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)C[C@H](C(C)C)OC4)cc1 ZINC000001814769 568915482 /nfs/dbraw/zinc/91/54/82/568915482.db2.gz QUJXMNFVNMADRT-OAHLLOKOSA-N 0 0 444.582 4.110 50 0 IIAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000001907696 568919677 /nfs/dbraw/zinc/91/96/77/568919677.db2.gz CAAVPDSGOIJABL-AWEZNQCLSA-N 0 0 425.437 4.404 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C ZINC000064370047 568920039 /nfs/dbraw/zinc/92/00/39/568920039.db2.gz WGUHQBSEHXGOQI-UHFFFAOYSA-N 0 0 444.973 4.367 50 0 IIAARN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000089340154 568920906 /nfs/dbraw/zinc/92/09/06/568920906.db2.gz IUYYZDHQZGEMMB-CEXWTWQISA-N 0 0 449.414 4.146 50 0 IIAARN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000089340169 568921052 /nfs/dbraw/zinc/92/10/52/568921052.db2.gz UBWJTTOCXMRCKI-KRWDZBQOSA-N 0 0 443.491 4.226 50 0 IIAARN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000035794509 568923152 /nfs/dbraw/zinc/92/31/52/568923152.db2.gz JNZXPSRRWWDARL-UHFFFAOYSA-N 0 0 434.521 4.361 50 0 IIAARN COc1ccc(C(=O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000089438671 568924755 /nfs/dbraw/zinc/92/47/55/568924755.db2.gz HWYHJNSEBXPRDE-LJQANCHMSA-N 0 0 439.899 4.205 50 0 IIAARN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cccc3cccnc32)cc1 ZINC000089438883 568924988 /nfs/dbraw/zinc/92/49/88/568924988.db2.gz ROVAXRXALXXMFR-QHCPKHFHSA-N 0 0 443.478 4.421 50 0 IIAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(=O)OC)cc3)c(C)c2oc1=O ZINC000002151589 568925110 /nfs/dbraw/zinc/92/51/10/568925110.db2.gz FKRPFIXJSBLHNP-UHFFFAOYSA-N 0 0 438.476 4.271 50 0 biogenic IIAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)cc2oc1=O ZINC000002150028 568925182 /nfs/dbraw/zinc/92/51/82/568925182.db2.gz WSVBYOVEMGHQFE-UHFFFAOYSA-N 0 0 435.245 4.298 50 0 biogenic IIAARN CCCCNC(=O)Nc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)OCC(C)C)cc1 ZINC000016610468 568925814 /nfs/dbraw/zinc/92/58/14/568925814.db2.gz BQKUFZXSUOUFBE-HXUWFJFHSA-N 0 0 446.617 4.333 50 0 IIAARN COc1ccc2[nH]cc(C3CCN(C(=O)COc4cccc(NC(=O)C5CC5)c4)CC3)c2c1 ZINC000089467049 568926079 /nfs/dbraw/zinc/92/60/79/568926079.db2.gz VPEPBPBZBBQJOL-UHFFFAOYSA-N 0 0 447.535 4.310 50 0 IIAARN CSCC[C@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1nnc2ccccn21 ZINC000089493692 568926983 /nfs/dbraw/zinc/92/69/83/568926983.db2.gz JRTYYXJOPAFQQS-QFIPXVFZSA-N 0 0 445.592 4.347 50 0 IIAARN Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035819014 568927605 /nfs/dbraw/zinc/92/76/05/568927605.db2.gz JABFDKKBUKGOJV-UHFFFAOYSA-N 0 0 426.879 4.052 50 0 IIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)Nc1ccccc1 ZINC000064438496 568928236 /nfs/dbraw/zinc/92/82/36/568928236.db2.gz AGFFMYGVQRVLBZ-UHFFFAOYSA-N 0 0 445.494 4.160 50 0 IIAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(N6CCOCC6)cc5)n3n2)CCC4)cc1 ZINC000064450034 568928945 /nfs/dbraw/zinc/92/89/45/568928945.db2.gz RSZIJWNJRKMBCQ-UHFFFAOYSA-N 0 0 440.551 4.092 50 0 IIAARN COc1ccc(-n2nc(C(=O)Nc3cc(OC)cc(OC)c3)cc2-c2cccnc2)cc1 ZINC000064472879 568929841 /nfs/dbraw/zinc/92/98/41/568929841.db2.gz BNDDMHDUALIUBX-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(C)C)cc1OCC ZINC000006537534 568931024 /nfs/dbraw/zinc/93/10/24/568931024.db2.gz ALBGWZCKOHXZRZ-UHFFFAOYSA-N 0 0 427.545 4.116 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1C ZINC000064566132 568933038 /nfs/dbraw/zinc/93/30/38/568933038.db2.gz YVRIMVKAJWZPTD-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccc(Cl)s1)C2 ZINC000064566308 568933148 /nfs/dbraw/zinc/93/31/48/568933148.db2.gz XAEUSCFFLCHQCS-UHFFFAOYSA-N 0 0 425.901 4.051 50 0 IIAARN COc1cc([C@H]2OC(c3ccc(NC(=O)c4ccc(F)cc4)cc3)=NN2C(C)=O)ccc1O ZINC000064567337 568933490 /nfs/dbraw/zinc/93/34/90/568933490.db2.gz LMWKMYKGMXSTJZ-XMMPIXPASA-N 0 0 449.438 4.031 50 0 IIAARN O=C([O-])c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589429 568934923 /nfs/dbraw/zinc/93/49/23/568934923.db2.gz HWBUWDHVAIVNOF-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN Cc1cc(C)cc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)c1 ZINC000064593211 568935787 /nfs/dbraw/zinc/93/57/87/568935787.db2.gz GTCMHBPUYBAQTF-UHFFFAOYSA-N 0 0 432.549 4.397 50 0 IIAARN CCOc1ccc(-n2ccn3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064593820 568936259 /nfs/dbraw/zinc/93/62/59/568936259.db2.gz CYKJKQKKUCRTTM-KRWDZBQOSA-N 0 0 448.548 4.259 50 0 IIAARN COc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1C ZINC000089534635 568936702 /nfs/dbraw/zinc/93/67/02/568936702.db2.gz NGVMVSRBXLZJMG-UHFFFAOYSA-N 0 0 441.505 4.057 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)n2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)c1 ZINC000064605259 568939227 /nfs/dbraw/zinc/93/92/27/568939227.db2.gz XRMQEUGUFSPURA-GOSISDBHSA-N 0 0 432.524 4.321 50 0 IIAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC3)c1 ZINC000064660302 568942556 /nfs/dbraw/zinc/94/25/56/568942556.db2.gz SNLJWAOCWGJMSQ-UHFFFAOYSA-N 0 0 438.933 4.358 50 0 IIAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2cc(C)c(C)cc2N1 ZINC000064661204 568942564 /nfs/dbraw/zinc/94/25/64/568942564.db2.gz NTALHAMCLJPTMQ-UHFFFAOYSA-N 0 0 441.915 4.109 50 0 IIAARN CN(CC(=O)N1CCCCC1)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703924 568944521 /nfs/dbraw/zinc/94/45/21/568944521.db2.gz ACTJEQLWNJCVLX-UHFFFAOYSA-N 0 0 444.580 4.256 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083887 568947652 /nfs/dbraw/zinc/94/76/52/568947652.db2.gz ZIZXLACICBFMHJ-NRFANRHFSA-N 0 0 444.915 4.331 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000064747695 568950083 /nfs/dbraw/zinc/95/00/83/568950083.db2.gz ULEZVCMQYZSAKV-KRWDZBQOSA-N 0 0 430.411 4.401 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c(OC)c1 ZINC000064747730 568950242 /nfs/dbraw/zinc/95/02/42/568950242.db2.gz NJXAXXBEEGKRHW-QGZVFWFLSA-N 0 0 430.411 4.401 50 0 IIAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000006696373 568952730 /nfs/dbraw/zinc/95/27/30/568952730.db2.gz FVCXGIIBIOMPJT-UHFFFAOYSA-N 0 0 431.602 4.016 50 0 IIAARN CSc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c1 ZINC000064775144 568954355 /nfs/dbraw/zinc/95/43/55/568954355.db2.gz HOFSXGZPZYSQAS-UHFFFAOYSA-N 0 0 432.505 4.234 50 0 IIAARN COCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114658 568955260 /nfs/dbraw/zinc/95/52/60/568955260.db2.gz QCPRXFOFOPPQIK-UHFFFAOYSA-N 0 0 426.538 4.328 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)CC(C)C ZINC000036117152 568955545 /nfs/dbraw/zinc/95/55/45/568955545.db2.gz RYLBQUKODFTJEP-OAQYLSRUSA-N 0 0 444.597 4.156 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccccc4Cl)c(=O)n23)c1 ZINC000064788056 568956444 /nfs/dbraw/zinc/95/64/44/568956444.db2.gz HDTVODXRUIFODE-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2c(C)cc(C)cc2C)n(C)c(=O)n(C)c3=O)c1 ZINC000064788252 568956607 /nfs/dbraw/zinc/95/66/07/568956607.db2.gz HFJFPKGCKRCTTN-RUZDIDTESA-N 0 0 443.547 4.059 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)[C@H](C)CC ZINC000036120857 568957611 /nfs/dbraw/zinc/95/76/11/568957611.db2.gz JOFPRKIIJMAYII-UZLBHIALSA-N 0 0 432.561 4.429 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccco1 ZINC000036120910 568957632 /nfs/dbraw/zinc/95/76/32/568957632.db2.gz LOCPSXKNTAKDEX-LJQANCHMSA-N 0 0 442.512 4.147 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)[C@@H](C)CC ZINC000036121434 568957651 /nfs/dbraw/zinc/95/76/51/568957651.db2.gz PULHDVJFTYQTRA-JXFKEZNVSA-N 0 0 432.561 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)(C)C ZINC000036121046 568957723 /nfs/dbraw/zinc/95/77/23/568957723.db2.gz OLHKVIRGKQXJBI-LJQANCHMSA-N 0 0 432.561 4.429 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)=O ZINC000036121130 568957849 /nfs/dbraw/zinc/95/78/49/568957849.db2.gz OMUMOAGRRMHIHZ-KKSFZXQISA-N 0 0 432.561 4.287 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122660 568958131 /nfs/dbraw/zinc/95/81/31/568958131.db2.gz JDLBXJZECZWTRP-NQIIRXRSSA-N 0 0 443.613 4.471 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)[C@H](C)CC ZINC000036122674 568958210 /nfs/dbraw/zinc/95/82/10/568958210.db2.gz FIAXRDHXOBODSL-NQIIRXRSSA-N 0 0 443.613 4.473 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)NCC ZINC000036123990 568958631 /nfs/dbraw/zinc/95/86/31/568958631.db2.gz KOZNEMGLFKWKTF-LJQANCHMSA-N 0 0 429.586 4.003 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)c1 ZINC000064792616 568959373 /nfs/dbraw/zinc/95/93/73/568959373.db2.gz VDVAJRMDDMQBDB-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2cccc(F)c2)cc1 ZINC000064792827 568959407 /nfs/dbraw/zinc/95/94/07/568959407.db2.gz VZRRDLAYFNZIRX-HSZRJFAPSA-N 0 0 440.482 4.210 50 0 IIAARN COc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)c1OC ZINC000064799330 568960822 /nfs/dbraw/zinc/96/08/22/568960822.db2.gz IQUIPNGENVQXAK-INIZCTEOSA-N 0 0 443.546 4.381 50 0 IIAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006712016 568960913 /nfs/dbraw/zinc/96/09/13/568960913.db2.gz WGVBSFJTENSHOB-UHFFFAOYSA-N 0 0 429.536 4.165 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000064801543 568961514 /nfs/dbraw/zinc/96/15/14/568961514.db2.gz FWYQBNBAUNETSX-UHFFFAOYSA-N 0 0 434.500 4.018 50 0 IIAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)nc(N2CCCCC2)n1 ZINC000064801902 568961740 /nfs/dbraw/zinc/96/17/40/568961740.db2.gz BBHDTKGUJXLVOY-UHFFFAOYSA-N 0 0 441.532 4.459 50 0 IIAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(C[C@@H]1CCCO1)C(=O)C(C)(C)C ZINC000006722886 568963150 /nfs/dbraw/zinc/96/31/50/568963150.db2.gz OQKCAQLSLKHRPX-NRFANRHFSA-N 0 0 429.605 4.435 50 0 IIAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(C)cc1 ZINC000036150781 568963925 /nfs/dbraw/zinc/96/39/25/568963925.db2.gz MIDZIANXJKYDDK-UHFFFAOYSA-N 0 0 449.551 4.166 50 0 IIAARN COc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036164535 568968019 /nfs/dbraw/zinc/96/80/19/568968019.db2.gz FVYKERWIRLCXQA-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1F ZINC000036165924 568968396 /nfs/dbraw/zinc/96/83/96/568968396.db2.gz VOCOYIRQZSMULA-DEOSSOPVSA-N 0 0 440.540 4.300 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1 ZINC000064841351 568969924 /nfs/dbraw/zinc/96/99/24/568969924.db2.gz XFLJVFMUSKFYRQ-UHFFFAOYSA-N 0 0 433.961 4.452 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000006740711 568970245 /nfs/dbraw/zinc/97/02/45/568970245.db2.gz DGPUJSRJMCPZJT-JOCHJYFZSA-N 0 0 426.488 4.425 50 0 IIAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 ZINC000064841708 568970468 /nfs/dbraw/zinc/97/04/68/568970468.db2.gz AQZNRFMWBOEIKS-UHFFFAOYSA-N 0 0 443.569 4.118 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842621 568970978 /nfs/dbraw/zinc/97/09/78/568970978.db2.gz HNWKLRDKABYELZ-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842626 568971060 /nfs/dbraw/zinc/97/10/60/568971060.db2.gz OLFYGIWKSKGGNL-SFHVURJKSA-N 0 0 436.443 4.097 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064848137 568971599 /nfs/dbraw/zinc/97/15/99/568971599.db2.gz YALSKHUHQPDSPN-UHFFFAOYSA-N 0 0 437.565 4.208 50 0 biogenic IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862307 568974084 /nfs/dbraw/zinc/97/40/84/568974084.db2.gz DQSCCIMKERQSKC-KRWDZBQOSA-N 0 0 439.581 4.231 50 0 IIAARN COC(=O)CC1=CC(SCC(=O)NCc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869516 568976143 /nfs/dbraw/zinc/97/61/43/568976143.db2.gz IJWQQSSEPMFKCS-UHFFFAOYSA-N 0 0 429.929 4.292 50 0 IIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000064872081 568977725 /nfs/dbraw/zinc/97/77/25/568977725.db2.gz HSQCTNAVLRUVBD-UHFFFAOYSA-N 0 0 436.942 4.488 50 0 IIAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OC)cc2)cc1 ZINC000064872136 568977906 /nfs/dbraw/zinc/97/79/06/568977906.db2.gz GKCRTVVTYMDTGD-UHFFFAOYSA-N 0 0 446.550 4.233 50 0 IIAARN COc1cccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(C)cc2)c1 ZINC000036248328 568982624 /nfs/dbraw/zinc/98/26/24/568982624.db2.gz CWHBKYPXAWBSIT-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc3c2CCCC3)C1=O ZINC000036253821 568984598 /nfs/dbraw/zinc/98/45/98/568984598.db2.gz GMDPHVXTBHRWHH-AREMUKBSSA-N 0 0 427.504 4.124 50 0 IIAARN CSc1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)c1 ZINC000064924524 568986245 /nfs/dbraw/zinc/98/62/45/568986245.db2.gz SJZZTILFJLWAOD-UHFFFAOYSA-N 0 0 436.585 4.173 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(C)c(F)c1 ZINC000064924817 568986346 /nfs/dbraw/zinc/98/63/46/568986346.db2.gz CMNVEDQWJBKAQT-UHFFFAOYSA-N 0 0 436.535 4.288 50 0 IIAARN O=C(Nc1cc(F)ccc1F)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928011 568986821 /nfs/dbraw/zinc/98/68/21/568986821.db2.gz RGSNHPPZLCRRGT-UHFFFAOYSA-N 0 0 444.869 4.019 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 ZINC000064927438 568987040 /nfs/dbraw/zinc/98/70/40/568987040.db2.gz APICYPOOWLUTMM-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1OC ZINC000064928922 568987236 /nfs/dbraw/zinc/98/72/36/568987236.db2.gz XWDLXWGLRUIPBI-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN CN(CCCNC(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1)c1ccccc1 ZINC000064928927 568987324 /nfs/dbraw/zinc/98/73/24/568987324.db2.gz SOTANVVCKABJGQ-OAQYLSRUSA-N 0 0 447.558 4.142 50 0 IIAARN CCOC(=O)CC1(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)CCCCC1 ZINC000064929388 568988180 /nfs/dbraw/zinc/98/81/80/568988180.db2.gz LESUOXBTYHRIBE-UHFFFAOYSA-N 0 0 436.556 4.274 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929924 568988222 /nfs/dbraw/zinc/98/82/22/568988222.db2.gz MUSYWOYFCFFGIH-GOSISDBHSA-N 0 0 440.500 4.306 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930816 568989307 /nfs/dbraw/zinc/98/93/07/568989307.db2.gz TZGSPSQEGCSAIX-MRXNPFEDSA-N 0 0 429.452 4.438 50 0 IIAARN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681181 568991725 /nfs/dbraw/zinc/99/17/25/568991725.db2.gz MGWXAQWUQQNNGD-UHFFFAOYSA-N 0 0 426.451 4.397 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000169681267 568992972 /nfs/dbraw/zinc/99/29/72/568992972.db2.gz NISBUORWQLMSKC-UHFFFAOYSA-N 0 0 434.496 4.065 50 0 IIAARN CCN(CC)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310765 568996877 /nfs/dbraw/zinc/99/68/77/568996877.db2.gz SQEJFSNXGMHMLA-QHCPKHFHSA-N 0 0 428.621 4.387 50 0 IIAARN COc1cc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)cc(OC)c1OC ZINC000064951902 568997154 /nfs/dbraw/zinc/99/71/54/568997154.db2.gz DBCWASVPWQIELG-CQSZACIVSA-N 0 0 443.887 4.245 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(C)(C)C)ccc4o3)CC2)cc1 ZINC000064957219 568999443 /nfs/dbraw/zinc/99/94/43/568999443.db2.gz HGRYETAOBVOJMK-UHFFFAOYSA-N 0 0 441.597 4.194 50 0 IIAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(C(=O)NCc2cccc(Cl)c2)c1C ZINC000064967712 569001390 /nfs/dbraw/zinc/00/13/90/569001390.db2.gz GZDJJIVJQYLZIE-UHFFFAOYSA-N 0 0 435.915 4.490 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c(C)o1 ZINC000064967585 569001395 /nfs/dbraw/zinc/00/13/95/569001395.db2.gz AFIXIOGIMTZSPS-UHFFFAOYSA-N 0 0 435.459 4.307 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000064972204 569076783 /nfs/dbraw/zinc/07/67/83/569076783.db2.gz ZWKKHPJEZWRSPQ-XMMPIXPASA-N 0 0 434.561 4.366 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O ZINC000064971761 569076865 /nfs/dbraw/zinc/07/68/65/569076865.db2.gz HPSAKHQPNMMRBT-UHFFFAOYSA-N 0 0 444.491 4.138 50 0 IIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1 ZINC000064977392 569077033 /nfs/dbraw/zinc/07/70/33/569077033.db2.gz OUHIYXHPZFAYRP-UHFFFAOYSA-N 0 0 426.476 4.492 50 0 IIAARN COc1cccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3c(C)csc3n2)c1 ZINC000064976811 569077243 /nfs/dbraw/zinc/07/72/43/569077243.db2.gz AZXJGDQYXJAFKY-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc32)cc1 ZINC000064976977 569077348 /nfs/dbraw/zinc/07/73/48/569077348.db2.gz RFOKDQMGFXRXED-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN COc1cc2c(C(=O)OCCc3ccccn3)cn(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000064977180 569077513 /nfs/dbraw/zinc/07/75/13/569077513.db2.gz REHMJYXFEOBRHW-UHFFFAOYSA-N 0 0 444.487 4.111 50 0 IIAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)c(C)c2)c(C)n3C)cc1 ZINC000064977717 569077536 /nfs/dbraw/zinc/07/75/36/569077536.db2.gz HOLQKOOIVBDCNR-UHFFFAOYSA-N 0 0 444.535 4.205 50 0 IIAARN CCc1ccccc1NC(=O)CCc1c(C)n(C)c2cc(-c3ccccc3C)nn2c1=O ZINC000064977685 569077601 /nfs/dbraw/zinc/07/76/01/569077601.db2.gz PMLFKMAVSKMHNP-UHFFFAOYSA-N 0 0 428.536 4.451 50 0 IIAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000064979440 569077779 /nfs/dbraw/zinc/07/77/79/569077779.db2.gz BMPOCSWGMYVDPQ-UHFFFAOYSA-N 0 0 441.278 4.361 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341785 569078933 /nfs/dbraw/zinc/07/89/33/569078933.db2.gz KAAKHRURWZDLBC-QHCPKHFHSA-N 0 0 445.494 4.364 50 0 IIAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346681 569081403 /nfs/dbraw/zinc/08/14/03/569081403.db2.gz BPVPYRVFYUXHRG-NRFANRHFSA-N 0 0 445.510 4.471 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCCC3)Oc3ccc(Cl)cc32)cc1 ZINC000064986103 569082085 /nfs/dbraw/zinc/08/20/85/569082085.db2.gz LLUCGFIECMDZJS-NRFANRHFSA-N 0 0 448.972 4.054 50 0 IIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)Nc1ccc(F)cc1 ZINC000064987150 569082592 /nfs/dbraw/zinc/08/25/92/569082592.db2.gz VRMIQDUFHCVMAQ-UHFFFAOYSA-N 0 0 440.500 4.311 50 0 IIAARN O=S(=O)(c1cccc(-c2nnc(-c3ccccc3Br)o2)c1)N1CCCCC1 ZINC000064987844 569082697 /nfs/dbraw/zinc/08/26/97/569082697.db2.gz HNHZZVBBXCOMRA-UHFFFAOYSA-N 0 0 448.342 4.341 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(N(C)C)c4)ccc3C[C@@H]2C)cc1 ZINC000064990132 569083160 /nfs/dbraw/zinc/08/31/60/569083160.db2.gz PDSWVRIEWUBNHW-SFHVURJKSA-N 0 0 443.547 4.283 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4cccc(OC)c4)ccc3C[C@H]2C)cc1 ZINC000064990164 569083258 /nfs/dbraw/zinc/08/32/58/569083258.db2.gz UWXMILNXLAKVIL-GOSISDBHSA-N 0 0 444.531 4.154 50 0 IIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nnc(C(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036358818 569085248 /nfs/dbraw/zinc/08/52/48/569085248.db2.gz WWRDPHVEAKKQBW-RBUKOAKNSA-N 0 0 436.537 4.219 50 0 IIAARN O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000064998720 569085517 /nfs/dbraw/zinc/08/55/17/569085517.db2.gz LRGCPNJTBVVYFS-UHFFFAOYSA-N 0 0 440.381 4.223 50 0 IIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCc3cccc(F)c3)c2C1 ZINC000065000289 569085941 /nfs/dbraw/zinc/08/59/41/569085941.db2.gz CUXAEIAZJUWQOU-UHFFFAOYSA-N 0 0 436.458 4.201 50 0 IIAARN 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569123976 /nfs/dbraw/zinc/12/39/76/569123976.db2.gz TUWVVFWIEFQEMR-UHFFFAOYSA-N 0 0 442.519 4.165 50 0 IIAARN CCN1c2ccc(NC(=O)c3cccc(OC)c3OC)cc2Sc2ncccc2C1=O ZINC000065258470 569124416 /nfs/dbraw/zinc/12/44/16/569124416.db2.gz GWUKLIPULXKWRF-UHFFFAOYSA-N 0 0 435.505 4.482 50 0 IIAARN COc1ccccc1CC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC1CCCC1 ZINC000065259949 569124856 /nfs/dbraw/zinc/12/48/56/569124856.db2.gz JJUGLQVMQCQEFY-SANMLTNESA-N 0 0 432.568 4.287 50 0 biogenic IIAARN COc1cccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)c1OC ZINC000065260066 569125033 /nfs/dbraw/zinc/12/50/33/569125033.db2.gz UQNVERAALKNKOS-RUZDIDTESA-N 0 0 436.556 4.222 50 0 IIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC1CCCC1 ZINC000065259975 569125053 /nfs/dbraw/zinc/12/50/53/569125053.db2.gz ZFEBEAOMWHZNCD-VWLOTQADSA-N 0 0 432.524 4.078 50 0 IIAARN CCn1c(SCc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013155416 569125796 /nfs/dbraw/zinc/12/57/96/569125796.db2.gz OANUZVFLOGHJHG-UHFFFAOYSA-N 0 0 442.610 4.350 50 0 IIAARN COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1-c1cccc(F)c1 ZINC000524732532 569127484 /nfs/dbraw/zinc/12/74/84/569127484.db2.gz NDIDOONQDNIINK-UHFFFAOYSA-N 0 0 443.500 4.072 50 0 IIAARN COCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000065285147 569130303 /nfs/dbraw/zinc/13/03/03/569130303.db2.gz APVSVPQCESUYQA-CQSZACIVSA-N 0 0 433.434 4.118 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NCc3ccc(C)c(C)c3)sc12 ZINC000065294140 569131170 /nfs/dbraw/zinc/13/11/70/569131170.db2.gz SDHZEQSZOCQTQZ-UHFFFAOYSA-N 0 0 433.581 4.468 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccn2c(c1)nnc2-c1ccccc1Br ZINC000065296599 569131621 /nfs/dbraw/zinc/13/16/21/569131621.db2.gz MZBBBSSISDTVFN-UHFFFAOYSA-N 0 0 425.261 4.228 50 0 IIAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(F)ccc1F)N2 ZINC000065298637 569132129 /nfs/dbraw/zinc/13/21/29/569132129.db2.gz CFSIHCAUHXNDFB-HXUWFJFHSA-N 0 0 429.467 4.143 50 0 biogenic IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCC(NC(=O)Cc4cccc(F)c4)CC3)sc12 ZINC000065299852 569132168 /nfs/dbraw/zinc/13/21/68/569132168.db2.gz MKHVQKWZABDWKU-UHFFFAOYSA-N 0 0 449.555 4.257 50 0 IIAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000065306175 569133234 /nfs/dbraw/zinc/13/32/34/569133234.db2.gz FTGWUJADIBFOTE-UHFFFAOYSA-N 0 0 431.924 4.345 50 0 IIAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)C1 ZINC000065315472 569134033 /nfs/dbraw/zinc/13/40/33/569134033.db2.gz RPIJYBRGWCTLDL-MRXNPFEDSA-N 0 0 441.507 4.238 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000065315485 569134110 /nfs/dbraw/zinc/13/41/10/569134110.db2.gz RTKHQJNMXUODNY-ZWKOTPCHSA-N 0 0 437.544 4.489 50 0 IIAARN Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)cc1F ZINC000065315691 569134193 /nfs/dbraw/zinc/13/41/93/569134193.db2.gz AEHILKSJNCKEKW-UHFFFAOYSA-N 0 0 448.542 4.428 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc(-n2cccn2)n1 ZINC000036705510 569134368 /nfs/dbraw/zinc/13/43/68/569134368.db2.gz PZHUQKZSHVPXOP-UHFFFAOYSA-N 0 0 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Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)n1 ZINC000065517598 569139006 /nfs/dbraw/zinc/13/90/06/569139006.db2.gz MDCFQMHFWPGRRR-UHFFFAOYSA-N 0 0 448.567 4.486 50 0 IIAARN O=C(Cn1cc(Br)ccc1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000065520947 569139056 /nfs/dbraw/zinc/13/90/56/569139056.db2.gz CPTRRWFFMMRNSV-JOCHJYFZSA-N 0 0 437.293 4.263 50 0 IIAARN CN(c1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)cc1F)C1CCCCC1 ZINC000065607960 569140156 /nfs/dbraw/zinc/14/01/56/569140156.db2.gz ODDCHIOMTRZWQC-UHFFFAOYSA-N 0 0 433.549 4.190 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000037117618 569140178 /nfs/dbraw/zinc/14/01/78/569140178.db2.gz RWCCDGKLECOSDJ-OAQYLSRUSA-N 0 0 443.341 4.251 50 0 IIAARN C[C@H](OC(=O)c1csc(COc2ccc(F)cc2)n1)C(=O)N(C)Cc1ccccc1 ZINC000037170228 569140403 /nfs/dbraw/zinc/14/04/03/569140403.db2.gz OVJXVRPLCTYQDJ-HNNXBMFYSA-N 0 0 428.485 4.065 50 0 IIAARN O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000240104290 569140657 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COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000010219501 569153704 /nfs/dbraw/zinc/15/37/04/569153704.db2.gz DGDSBPMYKNPOQM-UHFFFAOYSA-N 0 0 436.489 4.306 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000010219297 569153740 /nfs/dbraw/zinc/15/37/40/569153740.db2.gz XCOGBEKHVAXFGL-UHFFFAOYSA-N 0 0 430.551 4.156 50 0 IIAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nc(C)cs2)cc1=O ZINC000010254626 569154204 /nfs/dbraw/zinc/15/42/04/569154204.db2.gz YWIQYLPQLCTPPW-UHFFFAOYSA-N 0 0 435.958 4.206 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 ZINC000013294636 569154888 /nfs/dbraw/zinc/15/48/88/569154888.db2.gz APGZYAQCJMMSNY-UHFFFAOYSA-N 0 0 445.426 4.287 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4Cl)n3)CC2)cc1 ZINC000013330989 569155173 /nfs/dbraw/zinc/15/51/73/569155173.db2.gz SINITDVRSMTYDV-UHFFFAOYSA-N 0 0 448.013 4.278 50 0 IIAARN O=Cc1cccc2c1ccn2C(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000013575878 569155750 /nfs/dbraw/zinc/15/57/50/569155750.db2.gz FQDLKOLZUMTZAW-UHFFFAOYSA-N 0 0 442.265 4.063 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCCN4S(C)(=O)=O)cc3)sc2c1 ZINC000013792296 569156998 /nfs/dbraw/zinc/15/69/98/569156998.db2.gz PJXIJQIGEMMHGP-SFHVURJKSA-N 0 0 429.567 4.024 50 0 IIAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000013808262 569157186 /nfs/dbraw/zinc/15/71/86/569157186.db2.gz PTMLJIXNJIFSPE-UHFFFAOYSA-N 0 0 441.506 4.388 50 0 IIAARN O=C(CSc1nnc(NC2CC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000014092774 569157821 /nfs/dbraw/zinc/15/78/21/569157821.db2.gz SKSQAZIXRYXKCT-UHFFFAOYSA-N 0 0 443.520 4.462 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1C ZINC000014267265 569158325 /nfs/dbraw/zinc/15/83/25/569158325.db2.gz NGNKYSIFYGOQLS-DWXRJYCRSA-N 0 0 429.520 4.101 50 0 IIAARN CCOc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1S(=O)(=O)N(CC)CC ZINC000014576304 569159382 /nfs/dbraw/zinc/15/93/82/569159382.db2.gz VNNMSWPMFJNGCJ-UHFFFAOYSA-N 0 0 448.585 4.059 50 0 IIAARN COc1cccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662029 569160836 /nfs/dbraw/zinc/16/08/36/569160836.db2.gz RTPFTTKFXSIMNB-PMACEKPBSA-N 0 0 442.560 4.499 50 0 IIAARN COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000089669234 569161116 /nfs/dbraw/zinc/16/11/16/569161116.db2.gz SOUFHZIXYSGGMW-HXUWFJFHSA-N 0 0 429.929 4.316 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 ZINC000014663539 569161226 /nfs/dbraw/zinc/16/12/26/569161226.db2.gz XJXRAKCUQJZFGL-ROUUACIJSA-N 0 0 438.524 4.202 50 0 IIAARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000498049255 569161413 /nfs/dbraw/zinc/16/14/13/569161413.db2.gz DGPZKDQQKGWWSJ-WCZIMPLQSA-N 0 0 432.557 4.354 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2cccc(C)c2)c2ccc(F)cc2)cc1 ZINC000016839671 569162967 /nfs/dbraw/zinc/16/29/67/569162967.db2.gz VKZXSRKXUXLWDZ-NRFANRHFSA-N 0 0 429.513 4.078 50 0 IIAARN C[C@@H](CNC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1)c1ccccc1 ZINC000016841585 569163363 /nfs/dbraw/zinc/16/33/63/569163363.db2.gz XLHYBBNFPRAWDY-INIZCTEOSA-N 0 0 431.565 4.376 50 0 IIAARN COc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1Cl ZINC000016843774 569163660 /nfs/dbraw/zinc/16/36/60/569163660.db2.gz OBVRSXTUYOMZQA-UHFFFAOYSA-N 0 0 431.876 4.359 50 0 IIAARN COc1ccc(-c2cn3c(CCC(=O)NCc4ccc5c(c4)OCO5)csc3n2)cc1 ZINC000016848807 569164433 /nfs/dbraw/zinc/16/44/33/569164433.db2.gz OZUHSNJLGMVRMO-UHFFFAOYSA-N 0 0 435.505 4.049 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891258 569165717 /nfs/dbraw/zinc/16/57/17/569165717.db2.gz XUSVATLRTSCCDN-CYFREDJKSA-N 0 0 435.593 4.439 50 0 IIAARN COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000016891264 569165806 /nfs/dbraw/zinc/16/58/06/569165806.db2.gz GOBFYLIDZNMIAP-YADARESESA-N 0 0 435.593 4.439 50 0 IIAARN CC(C)N(C)C(=O)C1CCN(C(=O)CN(Cc2ccccc2F)c2ccccc2F)CC1 ZINC000089856822 569165907 /nfs/dbraw/zinc/16/59/07/569165907.db2.gz QUOXJHVTHNYKGA-UHFFFAOYSA-N 0 0 443.538 4.077 50 0 IIAARN COc1ccccc1NC(=O)Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000016973687 569168701 /nfs/dbraw/zinc/16/87/01/569168701.db2.gz QQVJSCATJHBFJM-UHFFFAOYSA-N 0 0 438.487 4.047 50 0 IIAARN COc1ccc(CCC(=O)NCCc2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 ZINC000016991933 569169633 /nfs/dbraw/zinc/16/96/33/569169633.db2.gz WQYMQGCXSQIKSQ-UHFFFAOYSA-N 0 0 440.565 4.436 50 0 IIAARN Cc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011839 569170498 /nfs/dbraw/zinc/17/04/98/569170498.db2.gz RJRKPABAUGTKRO-UHFFFAOYSA-N 0 0 435.919 4.482 50 0 IIAARN Cc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026068 569171086 /nfs/dbraw/zinc/17/10/86/569171086.db2.gz FTGSGHIAHHHMTO-UHFFFAOYSA-N 0 0 429.528 4.445 50 0 IIAARN Cc1ccc(C)c2sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 ZINC000017026718 569171108 /nfs/dbraw/zinc/17/11/08/569171108.db2.gz DAQBVIIXLLVIFJ-CQSZACIVSA-N 0 0 435.596 4.157 50 0 IIAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)NC1CCCCC1 ZINC000037356195 569171756 /nfs/dbraw/zinc/17/17/56/569171756.db2.gz CCRZSELWENBEHG-INIZCTEOSA-N 0 0 429.952 4.475 50 0 IIAARN CC(C)(C)c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000017112942 569174140 /nfs/dbraw/zinc/17/41/40/569174140.db2.gz QSIUCXVTRPVONT-LLVKDONJSA-N 0 0 448.035 4.337 50 0 IIAARN CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000017112940 569174146 /nfs/dbraw/zinc/17/41/46/569174146.db2.gz QSIUCXVTRPVONT-NSHDSACASA-N 0 0 448.035 4.337 50 0 IIAARN COCCNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000037357642 569174762 /nfs/dbraw/zinc/17/47/62/569174762.db2.gz VQHUWAAGDBQUDT-UHFFFAOYSA-N 0 0 429.311 4.430 50 0 IIAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000017149699 569174825 /nfs/dbraw/zinc/17/48/25/569174825.db2.gz CBKGWSKGLFAIFM-QGZVFWFLSA-N 0 0 425.840 4.156 50 0 IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1cccnc1)nc2-c1ccccc1F ZINC000037358295 569176114 /nfs/dbraw/zinc/17/61/14/569176114.db2.gz PZHGXMZCIBJQMA-UHFFFAOYSA-N 0 0 429.434 4.350 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000001051912 569176392 /nfs/dbraw/zinc/17/63/92/569176392.db2.gz VPDZTVHRLCXPGY-UHFFFAOYSA-N 0 0 438.505 4.143 50 0 IIAARN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Br)cc1 ZINC000001099259 569176719 /nfs/dbraw/zinc/17/67/19/569176719.db2.gz XJGMVHKBDRKIAK-UHFFFAOYSA-N 0 0 438.321 4.441 50 0 IIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CCC3 ZINC000002870407 569177441 /nfs/dbraw/zinc/17/74/41/569177441.db2.gz DLTLPNDXUGZROU-UHFFFAOYSA-N 0 0 427.580 4.280 50 0 IIAARN CC[C@]1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O ZINC000170636871 569178337 /nfs/dbraw/zinc/17/83/37/569178337.db2.gz GJHJNHXEWYFLRL-NXHTTZLHSA-N 0 0 428.891 4.306 50 0 IIAARN Cc1ccc(S(=O)(=O)c2ccc(CSc3nc4nc(C)c(C)c(C)n4n3)cc2)cc1 ZINC000170637532 569178341 /nfs/dbraw/zinc/17/83/41/569178341.db2.gz NWRJZJKHRYFODN-UHFFFAOYSA-N 0 0 438.578 4.483 50 0 IIAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc43)c(C)c2oc1=O ZINC000002096023 569179112 /nfs/dbraw/zinc/17/91/12/569179112.db2.gz GGYYLJGFBMUSIP-UHFFFAOYSA-N 0 0 447.487 4.187 50 0 biogenic IIAARN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000170639193 569179560 /nfs/dbraw/zinc/17/95/60/569179560.db2.gz JUELKXHOLNAZSD-HNNXBMFYSA-N 0 0 429.517 4.105 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC1CC1)nc2-c1ccc2c(c1)OCO2 ZINC000037360770 569181571 /nfs/dbraw/zinc/18/15/71/569181571.db2.gz HDUKRBYBSHZHEP-UHFFFAOYSA-N 0 0 434.887 4.269 50 0 IIAARN CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002108698 569181693 /nfs/dbraw/zinc/18/16/93/569181693.db2.gz CYAGVRAVQLXTFP-YMJPAYASSA-N 0 0 441.568 4.365 50 0 biogenic IIAARN Cc1cccc(-c2nc(NC[C@@H]3CCCO3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037376380 569185508 /nfs/dbraw/zinc/18/55/08/569185508.db2.gz RCCCSRPMWYGDLZ-INIZCTEOSA-N 0 0 436.466 4.242 50 0 IIAARN CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002522393 569185757 /nfs/dbraw/zinc/18/57/57/569185757.db2.gz ZLQXNMCALMHFKK-UHFFFAOYSA-N 0 0 444.578 4.349 50 0 IIAARN Cc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002152209 569187304 /nfs/dbraw/zinc/18/73/04/569187304.db2.gz JBBAWHMIWYNKIE-KRWDZBQOSA-N 0 0 429.513 4.435 50 0 biogenic IIAARN CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2ccccc2[nH]1 ZINC000252499978 569188022 /nfs/dbraw/zinc/18/80/22/569188022.db2.gz SKTXFCLGWQPUEU-LAUBAEHRSA-N 0 0 438.959 4.468 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12 ZINC000252518131 569189329 /nfs/dbraw/zinc/18/93/29/569189329.db2.gz ACMPNWJLHHYBKF-FGZHOGPDSA-N 0 0 443.503 4.302 50 0 IIAARN COc1cc(OC)c(NCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000002185141 569190536 /nfs/dbraw/zinc/19/05/36/569190536.db2.gz DKJRFUQUWUIZIL-FXBPXSCXSA-N 0 0 448.884 4.192 50 0 IIAARN Cc1cccc(NC(=O)Cn2c(C)nc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)c1 ZINC000002199318 569191518 /nfs/dbraw/zinc/19/15/18/569191518.db2.gz XMKOCZHTMNDEPP-UHFFFAOYSA-N 0 0 448.548 4.113 50 0 IIAARN COc1cc(-c2nn3c(nnc3-c3ccccc3Br)s2)cc(OC)c1OC ZINC000002199667 569191645 /nfs/dbraw/zinc/19/16/45/569191645.db2.gz IINICOITBKFBPA-UHFFFAOYSA-N 0 0 447.314 4.308 50 0 IIAARN Cc1cc(C)n(-c2nc3sc4c(c3c(N(CCO)Cc3ccccc3)n2)CCCC4)n1 ZINC000002202006 569192513 /nfs/dbraw/zinc/19/25/13/569192513.db2.gz LJWWQUUDJYZXQS-UHFFFAOYSA-N 0 0 433.581 4.372 50 0 IIAARN CCOC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F ZINC000002207919 569193830 /nfs/dbraw/zinc/19/38/30/569193830.db2.gz JINVMNMMDXWYRO-SFHVURJKSA-N 0 0 439.415 4.319 50 0 IIAARN CCCCn1c(=O)nc2n(-c3ccc(F)cc3)c3c(cc-2c1=O)c(C)nn3-c1ccccc1 ZINC000002209505 569194090 /nfs/dbraw/zinc/19/40/90/569194090.db2.gz WLPWNTBZOJXAEO-UHFFFAOYSA-N 0 0 443.482 4.086 50 0 IIAARN CCNC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2cccc(C)c2)CC1 ZINC000037398944 569194208 /nfs/dbraw/zinc/19/42/08/569194208.db2.gz GMBVYTAJPVAEDZ-UHFFFAOYSA-N 0 0 443.595 4.457 50 0 IIAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccccc2F)CC1 ZINC000037399185 569194318 /nfs/dbraw/zinc/19/43/18/569194318.db2.gz WIWJTGZZEWEYKH-UHFFFAOYSA-N 0 0 448.542 4.079 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)c3ccco3)C(C)C)c2)cc1 ZINC000037400504 569194918 /nfs/dbraw/zinc/19/49/18/569194918.db2.gz YZMFCBKJFOHTPL-UHFFFAOYSA-N 0 0 429.494 4.107 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1)C(C)C ZINC000037424320 569195598 /nfs/dbraw/zinc/19/55/98/569195598.db2.gz JHWVZBMEGVXWBM-HXUWFJFHSA-N 0 0 437.371 4.166 50 0 IIAARN O=C(c1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]1C(=O)N1CCCC1 ZINC000037426086 569195804 /nfs/dbraw/zinc/19/58/04/569195804.db2.gz ANCVBDOCIHHTIM-INIZCTEOSA-N 0 0 438.475 4.133 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010014018 569196093 /nfs/dbraw/zinc/19/60/93/569196093.db2.gz XHERIPBJSCUERW-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN COc1ccc(-c2csc(N(CC(=O)N3CCOCC3)c3ccccc3Cl)n2)cc1 ZINC000037438872 569196310 /nfs/dbraw/zinc/19/63/10/569196310.db2.gz BVXNAHTVWITSSO-UHFFFAOYSA-N 0 0 443.956 4.469 50 0 IIAARN CC(C)CC(=O)N1CCN(CCN2C(=O)[C@@H](C)S[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000037438123 569196363 /nfs/dbraw/zinc/19/63/63/569196363.db2.gz VRZNRFNTVXMUTN-DVECYGJZSA-N 0 0 445.673 4.137 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000037443334 569197151 /nfs/dbraw/zinc/19/71/51/569197151.db2.gz DIFIFTKIBVPJHW-DZTNWFRXSA-N 0 0 433.552 4.386 50 0 IIAARN C[C@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037522128 569198251 /nfs/dbraw/zinc/19/82/51/569198251.db2.gz MWCWLQOVANTJOA-LBPRGKRZSA-N 0 0 441.247 4.345 50 0 IIAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000037524312 569198542 /nfs/dbraw/zinc/19/85/42/569198542.db2.gz KLNNKLUWUROJGQ-UHFFFAOYSA-N 0 0 431.536 4.259 50 0 IIAARN CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)CC1 ZINC000037524912 569198877 /nfs/dbraw/zinc/19/88/77/569198877.db2.gz WBPZZJBJYMOMIV-UHFFFAOYSA-N 0 0 441.522 4.236 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037546971 569199872 /nfs/dbraw/zinc/19/98/72/569199872.db2.gz VVCDBDQIRIIBRB-LJQANCHMSA-N 0 0 441.478 4.479 50 0 IIAARN Cc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(Cl)cc1 ZINC000037558058 569200790 /nfs/dbraw/zinc/20/07/90/569200790.db2.gz WLQQDPDERILRMX-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CCCC3)cc2[C@@H]1c1cccc(F)c1 ZINC000037604073 569202877 /nfs/dbraw/zinc/20/28/77/569202877.db2.gz FQHZUWCSXIXOFK-ZCYQVOJMSA-N 0 0 438.543 4.490 50 0 IIAARN CC(C)CN(C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000037613924 569202997 /nfs/dbraw/zinc/20/29/97/569202997.db2.gz UFAFYXURFRSYIA-NRFANRHFSA-N 0 0 429.561 4.022 50 0 IIAARN O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccc(Cl)cc1 ZINC000002219704 569204302 /nfs/dbraw/zinc/20/43/02/569204302.db2.gz BJIBNZCGLFPCOH-UHFFFAOYSA-N 0 0 449.923 4.076 50 0 IIAARN CCOC(=O)Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OC ZINC000002223113 569204723 /nfs/dbraw/zinc/20/47/23/569204723.db2.gz HYUKZSIDNCMVFK-DHDCSXOGSA-N 0 0 446.253 4.338 50 0 IIAARN COc1cc([C@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089798 569205782 /nfs/dbraw/zinc/20/57/82/569205782.db2.gz YHYSMHMKUQASFG-CQSZACIVSA-N 0 0 444.896 4.038 50 0 IIAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)COc1ccccc1 ZINC000002232704 569210713 /nfs/dbraw/zinc/21/07/13/569210713.db2.gz KDAFJQPKUOVIAH-UHFFFAOYSA-N 0 0 433.489 4.395 50 0 IIAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002236011 569212269 /nfs/dbraw/zinc/21/22/69/569212269.db2.gz BXSZNFJEZFMMHW-GFCCVEGCSA-N 0 0 444.413 4.366 50 0 IIAARN O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000027469136 569215310 /nfs/dbraw/zinc/21/53/10/569215310.db2.gz LIQMPHUQXGTJQJ-ZDUSSCGKSA-N 0 0 438.167 4.148 50 0 IIAARN CC(=O)NC(=O)c1cc2ccc(OC(C)=O)cc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000027519143 569217886 /nfs/dbraw/zinc/21/78/86/569217886.db2.gz SJCZFUWTLICUDA-GFMRDNFCSA-N 0 0 433.247 4.174 50 0 IIAARN COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002279753 569217963 /nfs/dbraw/zinc/21/79/63/569217963.db2.gz LVTSNGQJPCBQFG-UHFFFAOYSA-N 0 0 444.516 4.056 50 0 IIAARN Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002287074 569263988 /nfs/dbraw/zinc/26/39/88/569263988.db2.gz NVTCYCVXDZOVPK-UHFFFAOYSA-N 0 0 439.494 4.327 50 0 IIAARN CC(C)Cn1ccc2c1cccc2NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000253394431 569264460 /nfs/dbraw/zinc/26/44/60/569264460.db2.gz BCCIZYGXJAVXNM-OAQYLSRUSA-N 0 0 432.524 4.341 50 0 IIAARN Cc1nc2ccccn2c(=O)c1CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000253400399 569264775 /nfs/dbraw/zinc/26/47/75/569264775.db2.gz CNBZRWFZHNCHGR-UHFFFAOYSA-N 0 0 433.581 4.431 50 0 IIAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253412881 569265831 /nfs/dbraw/zinc/26/58/31/569265831.db2.gz SJMKRGKUWJWJMR-OPOADAIRSA-N 0 0 447.004 4.041 50 0 biogenic IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2c(cc(OC)cc2OC)n1C ZINC000253414858 569266342 /nfs/dbraw/zinc/26/63/42/569266342.db2.gz YVDQXFDLVVAUIJ-FQEVSTJZSA-N 0 0 433.508 4.493 50 0 biogenic IIAARN O=C(CCSCc1ccccn1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000253429796 569267543 /nfs/dbraw/zinc/26/75/43/569267543.db2.gz DGSFOUSLLOJLPW-SFHVURJKSA-N 0 0 446.922 4.353 50 0 IIAARN COc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1OC ZINC000002290371 569267886 /nfs/dbraw/zinc/26/78/86/569267886.db2.gz YFMUFZKJKDDPKW-UHFFFAOYSA-N 0 0 439.475 4.425 50 0 IIAARN CCOCCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002315930 569272435 /nfs/dbraw/zinc/27/24/35/569272435.db2.gz RBONNKADBFPYFB-UHFFFAOYSA-N 0 0 437.931 4.025 50 0 IIAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000002313033 569273141 /nfs/dbraw/zinc/27/31/41/569273141.db2.gz RIHZBNQAWOYCOF-HHHXNRCGSA-N 0 0 446.506 4.440 50 0 IIAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 ZINC000002335030 569274808 /nfs/dbraw/zinc/27/48/08/569274808.db2.gz CZMZBOLQXPAEMU-UHFFFAOYSA-N 0 0 444.491 4.433 50 0 IIAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)/C=C/c1ccc(Br)o1 ZINC000009253970 569294807 /nfs/dbraw/zinc/29/48/07/569294807.db2.gz PMWGCHAIBDSNBX-CSKARUKUSA-N 0 0 430.254 4.442 50 0 IIAARN CCS(=O)(=O)c1ncc(CN(C)Cc2cccc3cnccc32)n1CCc1ccccc1 ZINC000055182821 569295939 /nfs/dbraw/zinc/29/59/39/569295939.db2.gz WAAYMPTUVVQIOV-UHFFFAOYSA-N 0 0 448.592 4.100 50 0 IIAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C1(c2ccc(Cl)cc2)CC1 ZINC000009690808 569297764 /nfs/dbraw/zinc/29/77/64/569297764.db2.gz CUKKDIZDRDGIBQ-AQTBWJFISA-N 0 0 444.915 4.363 50 0 IIAARN CC(C)[C@@H]1Cc2c(sc3nc(S[C@H](C)C(=O)Nc4ccccc4)nc(N)c32)CO1 ZINC000002405747 569300145 /nfs/dbraw/zinc/30/01/45/569300145.db2.gz PLEDFWZFKLWVJA-DOMZBBRYSA-N 0 0 428.583 4.490 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000002408117 569300362 /nfs/dbraw/zinc/30/03/62/569300362.db2.gz XQBVDXMFURPYSB-NSHDSACASA-N 0 0 426.926 4.348 50 0 IIAARN Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000013005779 569306288 /nfs/dbraw/zinc/30/62/88/569306288.db2.gz DKBFMVJSAZYRPJ-UHFFFAOYSA-N 0 0 444.582 4.125 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1)c1ccccc1 ZINC000013037863 569307589 /nfs/dbraw/zinc/30/75/89/569307589.db2.gz CHRSOAFYSBJRNN-UHFFFAOYSA-N 0 0 441.597 4.494 50 0 IIAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013057800 569308437 /nfs/dbraw/zinc/30/84/37/569308437.db2.gz FCVGIVLVDKNLPE-OAHLLOKOSA-N 0 0 437.423 4.317 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c(C)n1CC(F)(F)F ZINC000013112339 569310366 /nfs/dbraw/zinc/31/03/66/569310366.db2.gz SYIBRXCROXFTMU-UHFFFAOYSA-N 0 0 428.505 4.423 50 0 IIAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N(C)CCO)n1 ZINC000002454264 569311046 /nfs/dbraw/zinc/31/10/46/569311046.db2.gz WGNLIANCXGURBF-UHFFFAOYSA-N 0 0 446.642 4.440 50 0 IIAARN COc1ccc(CCN(C)C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1OC ZINC000013121538 569311130 /nfs/dbraw/zinc/31/11/30/569311130.db2.gz BLNRYIRDFNPOHG-UHFFFAOYSA-N 0 0 449.503 4.354 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1OCC ZINC000013138225 569311700 /nfs/dbraw/zinc/31/17/00/569311700.db2.gz UHIMQNPDKZGFKA-UHFFFAOYSA-N 0 0 434.558 4.075 50 0 IIAARN CC1CCC(NC(=O)C2CCN(C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000013352044 569313362 /nfs/dbraw/zinc/31/33/62/569313362.db2.gz YHNQPQMDZDRHKB-UHFFFAOYSA-N 0 0 427.589 4.218 50 0 IIAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000013354649 569313429 /nfs/dbraw/zinc/31/34/29/569313429.db2.gz ZMWPNZZESKDQRJ-UHFFFAOYSA-N 0 0 426.586 4.181 50 0 IIAARN Cc1cccc(OCC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1 ZINC000013354051 569313469 /nfs/dbraw/zinc/31/34/69/569313469.db2.gz QXMTWDJBQIPHPM-UHFFFAOYSA-N 0 0 449.576 4.052 50 0 IIAARN CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 ZINC000013356265 569313611 /nfs/dbraw/zinc/31/36/11/569313611.db2.gz DXNCQRVYDIZMOH-QHCPKHFHSA-N 0 0 440.540 4.112 50 0 IIAARN Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1 ZINC000013356790 569313647 /nfs/dbraw/zinc/31/36/47/569313647.db2.gz SKCPQGRBUOIHAN-UHFFFAOYSA-N 0 0 435.568 4.262 50 0 IIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4C)c3)cc2=O)s1 ZINC000013368542 569314595 /nfs/dbraw/zinc/31/45/95/569314595.db2.gz FRBVBBHPXCDZHV-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN COc1ccc(CN2CC[C@@H](NC(=O)c3cc4c(s3)-c3ccccc3CC4)C2=O)cc1 ZINC000078813735 569319200 /nfs/dbraw/zinc/31/92/00/569319200.db2.gz BBIQCKXCTWUICQ-OAQYLSRUSA-N 0 0 432.545 4.053 50 0 IIAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000078875837 569319677 /nfs/dbraw/zinc/31/96/77/569319677.db2.gz YOZQADDXJBHAEN-UHFFFAOYSA-N 0 0 435.940 4.456 50 0 IIAARN c1csc([C@H](Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C2CC2)n1 ZINC000078903368 569320230 /nfs/dbraw/zinc/32/02/30/569320230.db2.gz ZTTLXHGYLBDDKR-GOSISDBHSA-N 0 0 427.599 4.032 50 0 IIAARN COc1cc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc(OC)c1OCc1ccccc1 ZINC000078939869 569320380 /nfs/dbraw/zinc/32/03/80/569320380.db2.gz JBONEFSQJNEZDK-RUZDIDTESA-N 0 0 439.508 4.130 50 0 IIAARN O=C(Nc1ccc(OC(F)F)cc1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000079023411 569322625 /nfs/dbraw/zinc/32/26/25/569322625.db2.gz JXIYIIPLOJAJEK-INIZCTEOSA-N 0 0 439.256 4.353 50 0 IIAARN CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1cccnc1 ZINC000079050445 569323186 /nfs/dbraw/zinc/32/31/86/569323186.db2.gz KSIBCJIWTPVEHO-OAQYLSRUSA-N 0 0 439.462 4.487 50 0 IIAARN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000079069086 569324389 /nfs/dbraw/zinc/32/43/89/569324389.db2.gz DPTGUULTTCLXHA-LIRRHRJNSA-N 0 0 436.371 4.126 50 0 IIAARN CC(C)Cn1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2c1=O ZINC000079476085 569330746 /nfs/dbraw/zinc/33/07/46/569330746.db2.gz FTTWFEKTZSIJCV-UHFFFAOYSA-N 0 0 438.955 4.435 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O ZINC000020069916 569333217 /nfs/dbraw/zinc/33/32/17/569333217.db2.gz OLXAWHFLDAJTGY-VBKZILBWSA-N 0 0 425.451 4.035 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)[C@@H]1C ZINC000020102784 569333964 /nfs/dbraw/zinc/33/39/64/569333964.db2.gz RANNKQFXRWOOEF-LPMFXHHGSA-N 0 0 425.529 4.368 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC[C@H]1CCCO1 ZINC000020116125 569335118 /nfs/dbraw/zinc/33/51/18/569335118.db2.gz PGVHKXRAXCYKQK-YHSGHMJESA-N 0 0 438.612 4.204 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(CNS(=O)(=O)c2cccs2)CC1 ZINC000020154224 569353534 /nfs/dbraw/zinc/35/35/34/569353534.db2.gz YZHJHGVANRGDDB-UHFFFAOYSA-N 0 0 446.516 4.490 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000020155456 569353726 /nfs/dbraw/zinc/35/37/26/569353726.db2.gz GQLUARVIOPCKAL-JWQCQUIFSA-N 0 0 448.563 4.333 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000020180618 569355127 /nfs/dbraw/zinc/35/51/27/569355127.db2.gz VNFVBPTUZULWBW-KKLODQLMSA-N 0 0 434.536 4.403 50 0 IIAARN O=C(NCc1cccs1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240665 569357735 /nfs/dbraw/zinc/35/77/35/569357735.db2.gz UGYSFXIJCONEEJ-UHFFFAOYSA-N 0 0 429.441 4.264 50 0 IIAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000020242385 569358161 /nfs/dbraw/zinc/35/81/61/569358161.db2.gz QZUHLHDPMKCFNO-HKBQPEDESA-N 0 0 434.492 4.045 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]n2)c1 ZINC000020285770 569359075 /nfs/dbraw/zinc/35/90/75/569359075.db2.gz AJCGMSGUORTCLO-UHFFFAOYSA-N 0 0 430.430 4.067 50 0 IIAARN CCN(CC)c1c2cc3c(cc2ncc1S(=O)(=O)c1ccc(Cl)cc1)OCCO3 ZINC000020381602 569362666 /nfs/dbraw/zinc/36/26/66/569362666.db2.gz CUYNRCPJOCVLFO-UHFFFAOYSA-N 0 0 432.929 4.338 50 0 IIAARN CC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000095394251 569363519 /nfs/dbraw/zinc/36/35/19/569363519.db2.gz QNVTYLOSYRZUDJ-UHFFFAOYSA-N 0 0 435.351 4.356 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000095398832 569363711 /nfs/dbraw/zinc/36/37/11/569363711.db2.gz MBISDMBMYUVNHC-UHFFFAOYSA-N 0 0 448.519 4.475 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000095400353 569363899 /nfs/dbraw/zinc/36/38/99/569363899.db2.gz WCTWNRPUZKTYDG-GOSISDBHSA-N 0 0 447.240 4.385 50 0 IIAARN CC[C@@H](OC1CCCC1)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000095401032 569363902 /nfs/dbraw/zinc/36/39/02/569363902.db2.gz LGAFCUMPEKKVFU-HXUWFJFHSA-N 0 0 428.495 4.010 50 0 IIAARN CC(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCS1 ZINC000095403688 569364151 /nfs/dbraw/zinc/36/41/51/569364151.db2.gz IHPBYMCSVHTMFE-LJQANCHMSA-N 0 0 439.002 4.354 50 0 IIAARN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000095403463 569364194 /nfs/dbraw/zinc/36/41/94/569364194.db2.gz HBSDUEMZCIEZCP-XMMPIXPASA-N 0 0 434.515 4.038 50 0 IIAARN Cn1ccc([C@@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C(F)(F)F)c1 ZINC000095431802 569366264 /nfs/dbraw/zinc/36/62/64/569366264.db2.gz YSEOGUPZAXTPJV-OUNSHVDWSA-N 0 0 427.511 4.390 50 0 IIAARN CC(C)c1ccc([C@@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 ZINC000095449528 569367655 /nfs/dbraw/zinc/36/76/55/569367655.db2.gz HUWXIUHXIROHFX-FQEVSTJZSA-N 0 0 435.611 4.349 50 0 IIAARN CC(C)C(=O)Nc1nc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cs1 ZINC000095453538 569368225 /nfs/dbraw/zinc/36/82/25/569368225.db2.gz HXWPLABXSYXSPN-LJQANCHMSA-N 0 0 442.972 4.429 50 0 IIAARN C[C@H](c1ccccn1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1 ZINC000095456006 569368707 /nfs/dbraw/zinc/36/87/07/569368707.db2.gz UPTJXSRCANEVMN-QGZVFWFLSA-N 0 0 448.592 4.323 50 0 IIAARN CCc1noc(-c2ccc(C)c(NC(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)c2)n1 ZINC000095458413 569369182 /nfs/dbraw/zinc/36/91/82/569369182.db2.gz FTKZKSCPKIRGNV-GOSISDBHSA-N 0 0 435.532 4.294 50 0 IIAARN CCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc([C@@H](C)O)c(C)n3)cc2)cc1 ZINC000095462059 569370044 /nfs/dbraw/zinc/37/00/44/569370044.db2.gz TZGQFTKRPMSZLZ-QGZVFWFLSA-N 0 0 442.537 4.113 50 0 IIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1=NC(=O)[C@@H](c2ccc(C)cc2)O1 ZINC000095467398 569371059 /nfs/dbraw/zinc/37/10/59/569371059.db2.gz MAVIZCDLUFGLCY-MRXNPFEDSA-N 0 0 425.897 4.464 50 0 IIAARN COc1ccc(C2(CNC(=O)c3cccc(Nc4nc(C)cc(C)n4)c3)CCOCC2)cc1 ZINC000095476496 569372995 /nfs/dbraw/zinc/37/29/95/569372995.db2.gz KYZGJWGRQPTOBC-UHFFFAOYSA-N 0 0 446.551 4.324 50 0 IIAARN O=C(CCSCc1ccccc1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482295 569374364 /nfs/dbraw/zinc/37/43/64/569374364.db2.gz AKFGNEWECLKDNO-UHFFFAOYSA-N 0 0 432.343 4.439 50 0 IIAARN CCCCNc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21 ZINC000020646019 569375001 /nfs/dbraw/zinc/37/50/01/569375001.db2.gz AZXWECNVLUVLKY-UHFFFAOYSA-N 0 0 435.597 4.283 50 0 IIAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2nnnn2-c2ccccc2)Cc2ccccc2)c1 ZINC000095947055 569376219 /nfs/dbraw/zinc/37/62/19/569376219.db2.gz WNTYHBUFMKFXSI-LJQANCHMSA-N 0 0 426.524 4.384 50 0 IIAARN CC(=O)Nc1cccc([C@H](C)N(Cc2nnnn2-c2ccccc2)Cc2ccccc2)c1 ZINC000095947054 569376307 /nfs/dbraw/zinc/37/63/07/569376307.db2.gz WNTYHBUFMKFXSI-IBGZPJMESA-N 0 0 426.524 4.384 50 0 IIAARN CCCNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccc(F)cc32)cc1 ZINC000095948800 569376569 /nfs/dbraw/zinc/37/65/69/569376569.db2.gz UBDKYIHOFLLJNM-UHFFFAOYSA-N 0 0 428.411 4.220 50 0 IIAARN CC[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095972115 569377505 /nfs/dbraw/zinc/37/75/05/569377505.db2.gz TVKNMYUNSXBAHY-LPHOPBHVSA-N 0 0 443.849 4.301 50 0 IIAARN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccn3)CC2)C(C)(C)O1 ZINC000095991729 569378380 /nfs/dbraw/zinc/37/83/80/569378380.db2.gz MEZFMQGOTQRIGA-QHCPKHFHSA-N 0 0 449.595 4.309 50 0 IIAARN O=C(CCc1ccc(Br)cc1)N[C@@H](CCO)c1ccccc1Br ZINC000096006455 569379317 /nfs/dbraw/zinc/37/93/17/569379317.db2.gz XVAOHYWITQLLEP-KRWDZBQOSA-N 0 0 441.163 4.384 50 0 IIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc3c1ccn3C(C)C)C=C2 ZINC000096115595 569383278 /nfs/dbraw/zinc/38/32/78/569383278.db2.gz NEPNRLYSCSLUEV-UHFFFAOYSA-N 0 0 433.508 4.234 50 0 biogenic IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118423 569384441 /nfs/dbraw/zinc/38/44/41/569384441.db2.gz LYHJUYNCHQAVPG-ZBEGNZNMSA-N 0 0 425.913 4.286 50 0 IIAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)CCc2ccccc2Br)CC1 ZINC000096120414 569384909 /nfs/dbraw/zinc/38/49/09/569384909.db2.gz VTFIFAANMZFLSS-CSKARUKUSA-N 0 0 445.357 4.043 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C\c2ccsc2)c1 ZINC000096124601 569385508 /nfs/dbraw/zinc/38/55/08/569385508.db2.gz FBYKYBQDKRQAMF-YFHOEESVSA-N 0 0 433.599 4.031 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000096222580 569387251 /nfs/dbraw/zinc/38/72/51/569387251.db2.gz KSSWRUXVLNZVCO-UPVQGACJSA-N 0 0 431.536 4.351 50 0 biogenic IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000096231043 569387477 /nfs/dbraw/zinc/38/74/77/569387477.db2.gz AOKOQBMNNAVQOO-IBGZPJMESA-N 0 0 446.507 4.391 50 0 IIAARN CCCn1c(C(=O)N2CCN(CC)CC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275187 569388273 /nfs/dbraw/zinc/38/82/73/569388273.db2.gz YXWNEFPCXFMIOB-UHFFFAOYSA-N 0 0 432.568 4.390 50 0 IIAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccco3)n2)c1 ZINC000096278114 569388970 /nfs/dbraw/zinc/38/89/70/569388970.db2.gz AAJDHGZAOAOCSJ-UHFFFAOYSA-N 0 0 433.464 4.232 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000096279491 569389434 /nfs/dbraw/zinc/38/94/34/569389434.db2.gz CFEFGISALMHPFX-HXUWFJFHSA-N 0 0 439.487 4.476 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096279569 569389483 /nfs/dbraw/zinc/38/94/83/569389483.db2.gz XAWDLBQVJOZWQE-NRFANRHFSA-N 0 0 427.932 4.141 50 0 IIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000096280051 569389565 /nfs/dbraw/zinc/38/95/65/569389565.db2.gz UCXYPKDGQLNTGY-UHFFFAOYSA-N 0 0 435.524 4.361 50 0 IIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccccc2OC)CC[C@H]1c1ccccc1 ZINC000096281711 569390028 /nfs/dbraw/zinc/39/00/28/569390028.db2.gz HRLLJCRYRGDRPO-PKTZIBPZSA-N 0 0 437.584 4.317 50 0 IIAARN COc1ccc(C2=NS(=O)(=O)c3cc(NC(=O)C4CCC4)ccc3N2CC(C)C)cc1 ZINC000096289220 569390642 /nfs/dbraw/zinc/39/06/42/569390642.db2.gz JOJDRBOQPIMUST-UHFFFAOYSA-N 0 0 441.553 4.045 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)C2CCC2)cc1F ZINC000096290277 569390785 /nfs/dbraw/zinc/39/07/85/569390785.db2.gz XAXIZHBUNVYFMJ-UHFFFAOYSA-N 0 0 449.544 4.387 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000096293726 569391633 /nfs/dbraw/zinc/39/16/33/569391633.db2.gz XMSCRRUGVVWXMS-FQEVSTJZSA-N 0 0 432.879 4.462 50 0 IIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(=O)COC ZINC000096294694 569391899 /nfs/dbraw/zinc/39/18/99/569391899.db2.gz GIDUENPSDKHTAE-MRXNPFEDSA-N 0 0 439.961 4.190 50 0 IIAARN CC[C@@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000096317006 569392998 /nfs/dbraw/zinc/39/29/98/569392998.db2.gz JUFOSKKMCZPTCG-QGZVFWFLSA-N 0 0 427.568 4.268 50 0 IIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096317235 569393198 /nfs/dbraw/zinc/39/31/98/569393198.db2.gz VBBCSBNLIVUGOJ-UHFFFAOYSA-N 0 0 438.616 4.340 50 0 IIAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000096317621 569393543 /nfs/dbraw/zinc/39/35/43/569393543.db2.gz BDWPGSKSICNMCE-UHFFFAOYSA-N 0 0 448.398 4.412 50 0 IIAARN Cc1ccc(CNC(=O)CCc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)cc1 ZINC000096322403 569394626 /nfs/dbraw/zinc/39/46/26/569394626.db2.gz XPUGSOSMENWAQG-UHFFFAOYSA-N 0 0 438.535 4.218 50 0 IIAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000096335777 569396627 /nfs/dbraw/zinc/39/66/27/569396627.db2.gz OIMVMGRDEPWTSI-CTNGQTDRSA-N 0 0 426.852 4.247 50 0 IIAARN CCCS(=O)(=O)c1nc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc2s1 ZINC000096399666 569400224 /nfs/dbraw/zinc/40/02/24/569400224.db2.gz KEOJCIRIQKVXQF-UHFFFAOYSA-N 0 0 435.527 4.141 50 0 IIAARN CC(=O)NCc1ccc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1 ZINC000096405134 569400578 /nfs/dbraw/zinc/40/05/78/569400578.db2.gz QWQKXHOYTJRZJW-YVMONPNESA-N 0 0 442.515 4.454 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000097161486 569403280 /nfs/dbraw/zinc/40/32/80/569403280.db2.gz OZPMJEIOWXAVFE-IBGZPJMESA-N 0 0 448.548 4.051 50 0 IIAARN Cc1cc(C)c[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000055392759 569404304 /nfs/dbraw/zinc/40/43/04/569404304.db2.gz DTSBCBBZSBSEEC-UHFFFAOYSA-O 0 0 449.541 4.160 50 0 IIAARN CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002487020 569405084 /nfs/dbraw/zinc/40/50/84/569405084.db2.gz WBDPLQHBFVILOO-FQEVSTJZSA-N 0 0 432.542 4.087 50 0 IIAARN COP(=O)(OC)c1nc(-c2ccc(Br)cc2)oc1NCc1cccnc1 ZINC000027987485 569405357 /nfs/dbraw/zinc/40/53/57/569405357.db2.gz MHIWPUKGTWDBER-UHFFFAOYSA-N 0 0 438.218 4.222 50 0 IIAARN O=C(COc1ccc(F)cc1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000027998542 569405662 /nfs/dbraw/zinc/40/56/62/569405662.db2.gz JZVQGXGHHHHKKN-UHFFFAOYSA-N 0 0 432.293 4.250 50 0 IIAARN O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000225624879 569405911 /nfs/dbraw/zinc/40/59/11/569405911.db2.gz DHBNPCDFIYZTES-QGZVFWFLSA-N 0 0 434.867 4.200 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OCCC)c(=O)n3n2)cc1 ZINC000002520528 569407471 /nfs/dbraw/zinc/40/74/71/569407471.db2.gz GJOIPVBDQICRMS-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736829 569407816 /nfs/dbraw/zinc/40/78/16/569407816.db2.gz GXYSIZXNXQDPER-LBPRGKRZSA-N 0 0 441.258 4.249 50 0 IIAARN O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)C1c2ccccc2Oc2ccccc21 ZINC000225772040 569408491 /nfs/dbraw/zinc/40/84/91/569408491.db2.gz GTVOQGADIHYFSU-UHFFFAOYSA-N 0 0 448.906 4.115 50 0 IIAARN COCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1 ZINC000028444687 569410001 /nfs/dbraw/zinc/41/00/01/569410001.db2.gz LJEYKCUFOHRCHT-KNTRCKAVSA-N 0 0 430.504 4.031 50 0 IIAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002620121 569410781 /nfs/dbraw/zinc/41/07/81/569410781.db2.gz MNVMJFCQEZVDCX-INIZCTEOSA-N 0 0 436.537 4.156 50 0 IIAARN COCCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nc2ccccc2c1=O ZINC000002623206 569411309 /nfs/dbraw/zinc/41/13/09/569411309.db2.gz RYLWAEIHXADLFG-UHFFFAOYSA-N 0 0 425.554 4.071 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccccc1Br ZINC000002628882 569412003 /nfs/dbraw/zinc/41/20/03/569412003.db2.gz LLYPIPSALBDCNA-UHFFFAOYSA-N 0 0 440.315 4.100 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000002635823 569413002 /nfs/dbraw/zinc/41/30/02/569413002.db2.gz QLRIRRLVXCPPSX-UHFFFAOYSA-N 0 0 434.492 4.275 50 0 IIAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(Cl)cc2N)n(-c2ccccc2)n1 ZINC000002651006 569414847 /nfs/dbraw/zinc/41/48/47/569414847.db2.gz WAUIGOCAENBWID-UHFFFAOYSA-N 0 0 426.904 4.201 50 0 IIAARN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)c2c[nH]c3ccccc32)cc1 ZINC000002650825 569414879 /nfs/dbraw/zinc/41/48/79/569414879.db2.gz MOQAAMBTCXZHFP-RLWLMLJZSA-N 0 0 441.531 4.322 50 0 IIAARN CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000002659062 569415808 /nfs/dbraw/zinc/41/58/08/569415808.db2.gz USNVKIRALTWRMO-INIZCTEOSA-N 0 0 443.594 4.239 50 0 IIAARN CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706423 569417589 /nfs/dbraw/zinc/41/75/89/569417589.db2.gz DNRCRKCJJVUBKV-UHFFFAOYSA-N 0 0 449.989 4.275 50 0 IIAARN CCCNC(=O)c1c(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cnn1C ZINC000002728719 569418730 /nfs/dbraw/zinc/41/87/30/569418730.db2.gz NHRDQIAVHOTHAE-UHFFFAOYSA-N 0 0 443.551 4.432 50 0 IIAARN Cc1cc(C2N=NC(=S)N2c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)n(C)n1 ZINC000002730869 569419200 /nfs/dbraw/zinc/41/92/00/569419200.db2.gz FLRRNTWMLUOZGN-UHFFFAOYSA-N 0 0 448.383 4.433 50 0 IIAARN CCn1ncc(Cl)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002778497 569421110 /nfs/dbraw/zinc/42/11/10/569421110.db2.gz PAWLMLRDBVRFOK-GFCCVEGCSA-N 0 0 447.992 4.171 50 0 IIAARN COc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1COc1ccc(Cl)c(C)c1 ZINC000002800111 569422243 /nfs/dbraw/zinc/42/22/43/569422243.db2.gz HCTXLWNRELKPBB-UHFFFAOYSA-N 0 0 434.887 4.227 50 0 IIAARN COC(=O)c1ccc(N[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000002907966 569424551 /nfs/dbraw/zinc/42/45/51/569424551.db2.gz AGJXZKFEGAPQHM-NRFANRHFSA-N 0 0 444.940 4.258 50 0 IIAARN COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)c(OC)c1 ZINC000002942934 569426805 /nfs/dbraw/zinc/42/68/05/569426805.db2.gz CRVVJRIJRDHHMK-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1cc2c(cc1Cl)OCCO2 ZINC000029294687 569429456 /nfs/dbraw/zinc/42/94/56/569429456.db2.gz BXUFZSHINXNAQJ-UHFFFAOYSA-N 0 0 441.842 4.499 50 0 IIAARN CSc1ncc(Cl)c(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)n1 ZINC000029649339 569431798 /nfs/dbraw/zinc/43/17/98/569431798.db2.gz XATLATIDLALSFK-UHFFFAOYSA-N 0 0 434.930 4.189 50 0 IIAARN Cn1c(=O)c2c3c(sc2nc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1)CCC3 ZINC000057360867 569431977 /nfs/dbraw/zinc/43/19/77/569431977.db2.gz XSWPOWSSFNDUOR-UHFFFAOYSA-N 0 0 449.407 4.113 50 0 IIAARN COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000057364816 569432300 /nfs/dbraw/zinc/43/23/00/569432300.db2.gz BUPBNLSDLRTQIP-IBGZPJMESA-N 0 0 431.536 4.223 50 0 IIAARN CC[C@@H](Sc1nc2ccccc2c2nc(C)nn21)C(=O)Nc1cc(OC)ccc1OC ZINC000002969569 569433281 /nfs/dbraw/zinc/43/32/81/569433281.db2.gz VMAUQKQPOLDHFW-LJQANCHMSA-N 0 0 437.525 4.113 50 0 IIAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)C)cc1 ZINC000002980054 569433591 /nfs/dbraw/zinc/43/35/91/569433591.db2.gz UMJHSDYKCDDQED-NRFANRHFSA-N 0 0 441.524 4.041 50 0 IIAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1ccccc1 ZINC000002980238 569433682 /nfs/dbraw/zinc/43/36/82/569433682.db2.gz XWIQLXBYAAZUDG-QFIPXVFZSA-N 0 0 447.531 4.460 50 0 IIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N1CCCC[C@H]1C ZINC000057425616 569434396 /nfs/dbraw/zinc/43/43/96/569434396.db2.gz MAYFJXCJYLGMSQ-OAHLLOKOSA-N 0 0 443.594 4.008 50 0 IIAARN 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/nfs/dbraw/zinc/45/50/92/569455092.db2.gz ITIQCXDNQGYQGO-UHFFFAOYSA-N 0 0 445.235 4.139 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000003661056 569455925 /nfs/dbraw/zinc/45/59/25/569455925.db2.gz ZJKSWCKAUPRSCX-RPWUZVMVSA-N 0 0 446.503 4.262 50 0 IIAARN CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000031405585 569456295 /nfs/dbraw/zinc/45/62/95/569456295.db2.gz HOBHPKFRIPYHFS-UHFFFAOYSA-N 0 0 432.524 4.236 50 0 IIAARN O=c1c(Cl)c(NC[C@@H](O)c2ccc(Cl)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058648678 569456685 /nfs/dbraw/zinc/45/66/85/569456685.db2.gz CZMBDDLDOADLHU-CQSZACIVSA-N 0 0 445.228 4.099 50 0 IIAARN CC(=O)N(c1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1)c1ccccc1F ZINC000031740473 569457174 /nfs/dbraw/zinc/45/71/74/569457174.db2.gz JZDORGVMPSZICA-UHFFFAOYSA-N 0 0 428.876 4.378 50 0 IIAARN Cc1ccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000031773864 569457334 /nfs/dbraw/zinc/45/73/34/569457334.db2.gz GMVBWTOTZFOPIY-QFIPXVFZSA-N 0 0 426.513 4.091 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c(OC)c1 ZINC000032070339 569459166 /nfs/dbraw/zinc/45/91/66/569459166.db2.gz KPRIJANCDNPACH-KRWDZBQOSA-N 0 0 440.887 4.051 50 0 IIAARN COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(Cl)c4)ccc3c2=O)c1 ZINC000032091600 569459610 /nfs/dbraw/zinc/45/96/10/569459610.db2.gz QIBDVUZSDCYUJP-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN COc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004118428 569459641 /nfs/dbraw/zinc/45/96/41/569459641.db2.gz TVEPLKUZXPRLIN-UHFFFAOYSA-N 0 0 438.457 4.245 50 0 IIAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccc(Br)cc3)o1)C2 ZINC000032092656 569459642 /nfs/dbraw/zinc/45/96/42/569459642.db2.gz MGOPVIYNMBMFME-INIZCTEOSA-N 0 0 447.310 4.416 50 0 IIAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2cc(Br)ccc2oc1=O ZINC000004134357 569460285 /nfs/dbraw/zinc/46/02/85/569460285.db2.gz BUZFAEKFWIRMAR-UHFFFAOYSA-N 0 0 446.341 4.271 50 0 IIAARN COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc21 ZINC000032124247 569460397 /nfs/dbraw/zinc/46/03/97/569460397.db2.gz USSLIMYNGXPVOR-NRFANRHFSA-N 0 0 437.565 4.445 50 0 biogenic IIAARN CCCOc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)C(C)=Nc2ncnn21 ZINC000008717603 569471125 /nfs/dbraw/zinc/47/11/25/569471125.db2.gz BZVVZMSBGYYWRO-KRWDZBQOSA-N 0 0 435.322 4.070 50 0 IIAARN CCCNC(=O)CSc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 ZINC000032327105 569461247 /nfs/dbraw/zinc/46/12/47/569461247.db2.gz UEBOVPRVTOPKMA-UHFFFAOYSA-N 0 0 426.614 4.474 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004263265 569461578 /nfs/dbraw/zinc/46/15/78/569461578.db2.gz KZFVTFMAVYTPQG-NRFANRHFSA-N 0 0 425.554 4.259 50 0 IIAARN CCOc1ccc([C@@H](NC(=O)[C@@H]2CCCN(c3ncccn3)C2)C(C)C)cc1OCC ZINC000032462924 569461814 /nfs/dbraw/zinc/46/18/14/569461814.db2.gz KJKDUNCCGQGDOA-KNQAVFIVSA-N 0 0 426.561 4.004 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008388816 569462707 /nfs/dbraw/zinc/46/27/07/569462707.db2.gz AWQMEDSBNMQDSV-UHFFFAOYSA-N 0 0 426.561 4.095 50 0 IIAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000038488169 569463045 /nfs/dbraw/zinc/46/30/45/569463045.db2.gz NJQLORVULANMEN-UHFFFAOYSA-N 0 0 429.549 4.158 50 0 IIAARN O=C(c1cc(Cl)ccc1F)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205857 569464585 /nfs/dbraw/zinc/46/45/85/569464585.db2.gz GMISHJSTEAOUDV-UHFFFAOYSA-N 0 0 429.835 4.278 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237262 569465488 /nfs/dbraw/zinc/46/54/88/569465488.db2.gz VCUDXQMCICEPEK-FQEVSTJZSA-N 0 0 444.560 4.226 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3ccccc3Cl)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067237934 569465525 /nfs/dbraw/zinc/46/55/25/569465525.db2.gz YYMRKXGJPCLZHJ-UHFFFAOYSA-N 0 0 432.977 4.141 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067238130 569465562 /nfs/dbraw/zinc/46/55/62/569465562.db2.gz JNNCAYBNSRKYCE-UHFFFAOYSA-N 0 0 426.542 4.013 50 0 IIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000067238378 569465607 /nfs/dbraw/zinc/46/56/07/569465607.db2.gz MZYSOOZPRKGPPI-UHFFFAOYSA-N 0 0 434.949 4.226 50 0 IIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(Br)c1 ZINC000067238467 569465613 /nfs/dbraw/zinc/46/56/13/569465613.db2.gz OSFSNBOQDFYRSW-UHFFFAOYSA-N 0 0 449.374 4.326 50 0 IIAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)cc2)c1 ZINC000067246394 569465991 /nfs/dbraw/zinc/46/59/91/569465991.db2.gz CCFZPVRUAWZCGU-UHFFFAOYSA-N 0 0 441.329 4.313 50 0 IIAARN O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000067257965 569466134 /nfs/dbraw/zinc/46/61/34/569466134.db2.gz QRAXFNHHYPCEKH-UHFFFAOYSA-N 0 0 449.230 4.412 50 0 IIAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc3c(c2)OCO3)cc1 ZINC000067258826 569466201 /nfs/dbraw/zinc/46/62/01/569466201.db2.gz MMEJUCXVUOBJFN-UHFFFAOYSA-N 0 0 432.501 4.474 50 0 IIAARN CCN1c2ccccc2-c2nc(SCc3ccc(OC)c(F)c3)ncc2S1(=O)=O ZINC000067260079 569466320 /nfs/dbraw/zinc/46/63/20/569466320.db2.gz CPJAWUWBWSRSMS-UHFFFAOYSA-N 0 0 431.514 4.112 50 0 IIAARN Cc1noc(C)c1Cn1cnc2sc(-c3nc(-c4cccs4)no3)c(C)c2c1=O ZINC000067260401 569466349 /nfs/dbraw/zinc/46/63/49/569466349.db2.gz YASLYUGVTKJMKE-UHFFFAOYSA-N 0 0 425.495 4.198 50 0 IIAARN Cc1ccccc1CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000067261359 569466532 /nfs/dbraw/zinc/46/65/32/569466532.db2.gz ZIZOTLBJSVIQOQ-UHFFFAOYSA-N 0 0 429.505 4.031 50 0 IIAARN COc1cccc2cc(C(=O)NCC3CCC(c4nc5ccccc5n4C)CC3)c(=O)oc21 ZINC000038671749 569466568 /nfs/dbraw/zinc/46/65/68/569466568.db2.gz QGWPLFJOGHGREG-UHFFFAOYSA-N 0 0 445.519 4.392 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1OC ZINC000067285360 569466795 /nfs/dbraw/zinc/46/67/95/569466795.db2.gz JRPGYCXAPIIVBR-UHFFFAOYSA-N 0 0 449.942 4.394 50 0 IIAARN CCOc1ccc(-c2cc3c(SCC(=O)NCc4ccc(OC)cc4)nccn3n2)cc1 ZINC000067290469 569467599 /nfs/dbraw/zinc/46/75/99/569467599.db2.gz XJQHKGFLORQIAX-UHFFFAOYSA-N 0 0 448.548 4.212 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1 ZINC000067292189 569467773 /nfs/dbraw/zinc/46/77/73/569467773.db2.gz GSPDYDCKUDRYOA-JOGXUEJDSA-N 0 0 427.298 4.337 50 0 IIAARN COC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc1 ZINC000067295873 569468019 /nfs/dbraw/zinc/46/80/19/569468019.db2.gz WFQMZRDGJPCGCL-GFMRDNFCSA-N 0 0 435.461 4.169 50 0 IIAARN CCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299216 569468127 /nfs/dbraw/zinc/46/81/27/569468127.db2.gz MKNPSKCHSOVJTK-RWEWTDSWSA-N 0 0 432.432 4.071 50 0 IIAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccsc2c1=O ZINC000067335237 569468855 /nfs/dbraw/zinc/46/88/55/569468855.db2.gz WTLFMFNNXDRKFY-GFCCVEGCSA-N 0 0 433.555 4.177 50 0 IIAARN CCc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)cc1 ZINC000008600481 569469319 /nfs/dbraw/zinc/46/93/19/569469319.db2.gz OCUOPMCDMJQPTD-UHFFFAOYSA-N 0 0 428.536 4.451 50 0 IIAARN COc1ccc(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000038906827 569469379 /nfs/dbraw/zinc/46/93/79/569469379.db2.gz ICRMLYKGYOBVKD-UHFFFAOYSA-N 0 0 430.548 4.294 50 0 IIAARN CCc1ccc(CC)c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000008621405 569469435 /nfs/dbraw/zinc/46/94/35/569469435.db2.gz WQUFYEYNHIPSBC-UHFFFAOYSA-N 0 0 426.516 4.490 50 0 IIAARN C[C@H](NC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000008662172 569469921 /nfs/dbraw/zinc/46/99/21/569469921.db2.gz BDWWNXHESBCDBA-KYCPQSOHSA-N 0 0 446.595 4.125 50 0 IIAARN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCC(c3ccccc3)CC2)cc1OC ZINC000008694229 569470061 /nfs/dbraw/zinc/47/00/61/569470061.db2.gz UPGSDCKPZIEJFC-HSZRJFAPSA-N 0 0 435.572 4.414 50 0 IIAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008706481 569470513 /nfs/dbraw/zinc/47/05/13/569470513.db2.gz HNUACKXWWRHIMK-YVWKXTFCSA-N 0 0 426.586 4.240 50 0 IIAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000008710677 569470962 /nfs/dbraw/zinc/47/09/62/569470962.db2.gz CHACVKMTYPNLLI-SFHVURJKSA-N 0 0 430.504 4.476 50 0 IIAARN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1cccc(Cl)c1 ZINC000008719142 569471389 /nfs/dbraw/zinc/47/13/89/569471389.db2.gz DONRQPRCIDWPNH-PXAZEXFGSA-N 0 0 430.917 4.100 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)nc3c(cnn3C(C)C)c1C)CC2 ZINC000008719354 569471404 /nfs/dbraw/zinc/47/14/04/569471404.db2.gz GFVPBGFCEJMORO-UHFFFAOYSA-N 0 0 436.556 4.164 50 0 IIAARN O=C1CCc2cc(S(=O)(=O)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)ccc2N1 ZINC000008719554 569471414 /nfs/dbraw/zinc/47/14/14/569471414.db2.gz FICCZEJUQAPHEK-NRFANRHFSA-N 0 0 445.544 4.163 50 0 IIAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000008724002 569471956 /nfs/dbraw/zinc/47/19/56/569471956.db2.gz VSAKSCYLYYDNAB-IBGZPJMESA-N 0 0 438.549 4.469 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000008748563 569473225 /nfs/dbraw/zinc/47/32/25/569473225.db2.gz IYHFMJARUKNTMH-JOCHJYFZSA-N 0 0 434.540 4.282 50 0 IIAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2)CCCCC1 ZINC000008751156 569473420 /nfs/dbraw/zinc/47/34/20/569473420.db2.gz NMRZONMLOKKCJG-QFIPXVFZSA-N 0 0 447.579 4.252 50 0 IIAARN CCc1nnc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)s1 ZINC000008753775 569473768 /nfs/dbraw/zinc/47/37/68/569473768.db2.gz HKHAOFQLVOXEOO-UHFFFAOYSA-N 0 0 431.481 4.050 50 0 IIAARN COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1S(=O)(=O)N1CCCCC1 ZINC000008761860 569474269 /nfs/dbraw/zinc/47/42/69/569474269.db2.gz DRHDKPTWTVOJDV-UHFFFAOYSA-N 0 0 441.553 4.220 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000008765404 569474710 /nfs/dbraw/zinc/47/47/10/569474710.db2.gz SNNIHOVNRFSSBT-UHFFFAOYSA-N 0 0 435.520 4.115 50 0 biogenic IIAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000008765173 569474739 /nfs/dbraw/zinc/47/47/39/569474739.db2.gz QDNHCZWKKOXVHF-REWPJTCUSA-N 0 0 431.580 4.477 50 0 biogenic IIAARN CCOc1ccccc1NC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000008766387 569474783 /nfs/dbraw/zinc/47/47/83/569474783.db2.gz JTQCDWZJBHMBRK-UHFFFAOYSA-N 0 0 431.485 4.077 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)c12 ZINC000008782488 569475838 /nfs/dbraw/zinc/47/58/38/569475838.db2.gz CMGGJZMMEGAUQU-UHFFFAOYSA-N 0 0 436.519 4.368 50 0 IIAARN CCCCSCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008813488 569476697 /nfs/dbraw/zinc/47/66/97/569476697.db2.gz PTRGUTUZUFUPDC-UHFFFAOYSA-N 0 0 440.675 4.119 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CN(Cc3cccs3)c3nc4ccccc4nc32)cc1C ZINC000008828363 569477847 /nfs/dbraw/zinc/47/78/47/569477847.db2.gz SSXPNZYBRIWNGB-UHFFFAOYSA-N 0 0 436.562 4.481 50 0 IIAARN CCCCCn1c(N)c(C(=O)NCCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000008836010 569477967 /nfs/dbraw/zinc/47/79/67/569477967.db2.gz HBJOIEPVMAZXMP-UHFFFAOYSA-N 0 0 431.540 4.338 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840654 569478295 /nfs/dbraw/zinc/47/82/95/569478295.db2.gz XANJSLGHMXWYAX-UHFFFAOYSA-N 0 0 436.533 4.366 50 0 IIAARN CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008840833 569478410 /nfs/dbraw/zinc/47/84/10/569478410.db2.gz SSXCOIAHAVMITB-UHFFFAOYSA-N 0 0 437.359 4.185 50 0 IIAARN CCCCN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3C)cc2CCC1=O ZINC000008840777 569478430 /nfs/dbraw/zinc/47/84/30/569478430.db2.gz DOXOXWUZWOGDCK-UHFFFAOYSA-N 0 0 443.569 4.224 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000008844580 569478665 /nfs/dbraw/zinc/47/86/65/569478665.db2.gz LPWUEBSSOTUZGL-ROUUACIJSA-N 0 0 426.538 4.405 50 0 IIAARN CCCCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 ZINC000008845130 569478711 /nfs/dbraw/zinc/47/87/11/569478711.db2.gz PPQBFNHJWGKCJC-DEOSSOPVSA-N 0 0 435.524 4.116 50 0 IIAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3O)[nH]n1)CCCC2 ZINC000008845790 569478921 /nfs/dbraw/zinc/47/89/21/569478921.db2.gz ATMHSILVMNBGTQ-UHFFFAOYSA-N 0 0 444.944 4.378 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1OC 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437.468 4.472 50 0 IIAARN COc1cc(CSc2nc(CC(=O)NCc3ccccc3OC)cs2)cc(OC)c1 ZINC000008853645 569479555 /nfs/dbraw/zinc/47/95/55/569479555.db2.gz SNQOATMWTHRODM-UHFFFAOYSA-N 0 0 444.578 4.320 50 0 IIAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCCCC2)C3=O)cc1Cl ZINC000008854755 569479630 /nfs/dbraw/zinc/47/96/30/569479630.db2.gz AAHPGXIEGQZWOP-QHCPKHFHSA-N 0 0 441.984 4.371 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1)Oc1ccccc1 ZINC000008856629 569479760 /nfs/dbraw/zinc/47/97/60/569479760.db2.gz MIRNYLOKOYHRFD-QHCPKHFHSA-N 0 0 442.471 4.294 50 0 biogenic IIAARN O=C(COc1cccc(Cl)c1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008869872 569480483 /nfs/dbraw/zinc/48/04/83/569480483.db2.gz MAKDEGPFAXKMID-FQEVSTJZSA-N 0 0 443.952 4.088 50 0 IIAARN Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000008871050 569480736 /nfs/dbraw/zinc/48/07/36/569480736.db2.gz JWCRTXHQSFTCEM-HNNXBMFYSA-N 0 0 436.899 4.204 50 0 IIAARN CC(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000039327449 569481479 /nfs/dbraw/zinc/48/14/79/569481479.db2.gz ZEGVXLUHOKDANN-CBZDIVBHSA-N 0 0 434.495 4.249 50 0 IIAARN O=C1/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccccc1Cl ZINC000039472733 569481578 /nfs/dbraw/zinc/48/15/78/569481578.db2.gz KQNWYUMYGFFBQX-QZQOTICOSA-N 0 0 443.915 4.027 50 0 IIAARN CCN(CC(=O)NC(C)C)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000068753283 569481909 /nfs/dbraw/zinc/48/19/09/569481909.db2.gz NTVZKZNMVIWZOI-UHFFFAOYSA-N 0 0 432.977 4.095 50 0 IIAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)cc1C(=O)c1ccc(Br)cc1 ZINC000039931938 569482056 /nfs/dbraw/zinc/48/20/56/569482056.db2.gz OGZQLVUMNZLCJR-UHFFFAOYSA-N 0 0 429.270 4.051 50 0 IIAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000039984186 569482298 /nfs/dbraw/zinc/48/22/98/569482298.db2.gz IADBKMBSCSRRKL-UHFFFAOYSA-N 0 0 425.539 4.173 50 0 IIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@@H](C)C(=O)NC4CCCC4)cc3)ccc12 ZINC000008888308 569483268 /nfs/dbraw/zinc/48/32/68/569483268.db2.gz QJQQADCIMHNHNM-KRWDZBQOSA-N 0 0 449.503 4.285 50 0 IIAARN Nn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2Cl)no1 ZINC000008898672 569483963 /nfs/dbraw/zinc/48/39/63/569483963.db2.gz NUADEBPSKSEYLM-UHFFFAOYSA-N 0 0 449.323 4.220 50 0 IIAARN Cc1ccc2nc(COc3ccc(C(=O)N4CCN(C)C[C@@H]4c4ccccc4)cc3)cn2c1 ZINC000040050302 569484152 /nfs/dbraw/zinc/48/41/52/569484152.db2.gz XTUKADUFJCRSEZ-RUZDIDTESA-N 0 0 440.547 4.351 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c1 ZINC000040050533 569484240 /nfs/dbraw/zinc/48/42/40/569484240.db2.gz SDNBNJNUMASWMK-UHFFFAOYSA-N 0 0 426.494 4.170 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCCC1=CCCCC1)C(=O)CS2 ZINC000008912119 569484951 /nfs/dbraw/zinc/48/49/51/569484951.db2.gz QCQRJWLTMLBEQJ-UHFFFAOYSA-N 0 0 438.597 4.406 50 0 IIAARN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000040069339 569485349 /nfs/dbraw/zinc/48/53/49/569485349.db2.gz YOBOLMDPRVHZEU-CQSZACIVSA-N 0 0 431.334 4.142 50 0 IIAARN CCc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008916709 569485783 /nfs/dbraw/zinc/48/57/83/569485783.db2.gz WLZCHIQVWVZFSF-UHFFFAOYSA-N 0 0 429.929 4.227 50 0 IIAARN CCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918770 569486313 /nfs/dbraw/zinc/48/63/13/569486313.db2.gz SYPVUVPFELBPQG-UHFFFAOYSA-N 0 0 442.512 4.231 50 0 IIAARN COc1cc(NC(=O)COc2ccccc2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000040087638 569486711 /nfs/dbraw/zinc/48/67/11/569486711.db2.gz HQOLCRCFLQQIGN-CALCHBBNSA-N 0 0 426.513 4.124 50 0 IIAARN C[C@H]1CCCC[C@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933059 569487739 /nfs/dbraw/zinc/48/77/39/569487739.db2.gz XEARGGVKHDYKKM-PGRDOPGGSA-N 0 0 428.536 4.094 50 0 IIAARN COc1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)sc2c1 ZINC000040128015 569489746 /nfs/dbraw/zinc/48/97/46/569489746.db2.gz FYEQMUXGOXZCFV-UHFFFAOYSA-N 0 0 428.495 4.096 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1OC ZINC000008959101 569490290 /nfs/dbraw/zinc/49/02/90/569490290.db2.gz NHPSHQLHJQDUGR-UHFFFAOYSA-N 0 0 440.540 4.293 50 0 IIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c12 ZINC000040133414 569490449 /nfs/dbraw/zinc/49/04/49/569490449.db2.gz ONEOOENQMROSHF-UHFFFAOYSA-N 0 0 425.920 4.377 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000040134225 569490490 /nfs/dbraw/zinc/49/04/90/569490490.db2.gz OWFFGYNXNKBVKM-UHFFFAOYSA-N 0 0 438.915 4.025 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1C ZINC000008961469 569491058 /nfs/dbraw/zinc/49/10/58/569491058.db2.gz WFAUMESVYWGIBF-UHFFFAOYSA-N 0 0 438.505 4.495 50 0 IIAARN CC[C@H](C(=O)NCc1ccc(OC)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965266 569491373 /nfs/dbraw/zinc/49/13/73/569491373.db2.gz KYDVPCHVXJNWMY-HSZRJFAPSA-N 0 0 444.535 4.080 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008965348 569491465 /nfs/dbraw/zinc/49/14/65/569491465.db2.gz WLXJELUEYQUNOK-UHFFFAOYSA-N 0 0 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ZINC000040149059 569492391 /nfs/dbraw/zinc/49/23/91/569492391.db2.gz WWNBWHBCCKXLCM-MRXNPFEDSA-N 0 0 429.567 4.211 50 0 IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1 ZINC000008977237 569492919 /nfs/dbraw/zinc/49/29/19/569492919.db2.gz BDGHFXHKXVWYFJ-UHFFFAOYSA-N 0 0 430.913 4.073 50 0 IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000008977167 569492934 /nfs/dbraw/zinc/49/29/34/569492934.db2.gz MDDFSJURJVPVNQ-UHFFFAOYSA-N 0 0 434.876 4.071 50 0 IIAARN CCOc1ccc([C@H](NS(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1OCC ZINC000008982166 569494526 /nfs/dbraw/zinc/49/45/26/569494526.db2.gz LUTDXZVFLUKSTK-JOCHJYFZSA-N 0 0 437.558 4.177 50 0 IIAARN NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000008986109 569494832 /nfs/dbraw/zinc/49/48/32/569494832.db2.gz ZXHBPSPUZRKMSN-UHFFFAOYSA-N 0 0 447.360 4.001 50 0 IIAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](CC2=Cc3ccccc3OC2)N1Cc1ccccc1 ZINC000008990251 569494988 /nfs/dbraw/zinc/49/49/88/569494988.db2.gz HABWAUFLEOLYSH-RCZVLFRGSA-N 0 0 433.529 4.159 50 0 IIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000040161178 569495132 /nfs/dbraw/zinc/49/51/32/569495132.db2.gz CDGNFSDFIPZGQJ-UXHICEINSA-N 0 0 439.600 4.362 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2Cc1ccccc1Cl ZINC000008991367 569495264 /nfs/dbraw/zinc/49/52/64/569495264.db2.gz AZNGDFUXTOVOKD-MSOLQXFVSA-N 0 0 441.405 4.264 50 0 IIAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008991810 569495298 /nfs/dbraw/zinc/49/52/98/569495298.db2.gz LHAUVTCTCMVBMW-UHFFFAOYSA-N 0 0 434.517 4.365 50 0 IIAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3cccnc3)ccc2c1=O ZINC000008993113 569495419 /nfs/dbraw/zinc/49/54/19/569495419.db2.gz BWAHKUNIZHKBAR-UHFFFAOYSA-N 0 0 432.432 4.315 50 0 IIAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000040216691 569496468 /nfs/dbraw/zinc/49/64/68/569496468.db2.gz WBPIIUUZZLAHQY-UHFFFAOYSA-N 0 0 447.974 4.400 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1OC ZINC000009038630 569497389 /nfs/dbraw/zinc/49/73/89/569497389.db2.gz CSLRBUSXVVDFTH-UHFFFAOYSA-N 0 0 430.504 4.084 50 0 IIAARN O=C(c1cc(=O)c(OCc2ccc(Cl)cc2)co1)N1CCO[C@@H](c2ccccc2)C1 ZINC000040287548 569498181 /nfs/dbraw/zinc/49/81/81/569498181.db2.gz YOWGLCBQTKHFAC-OAQYLSRUSA-N 0 0 425.868 4.086 50 0 IIAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O ZINC000009048650 569498534 /nfs/dbraw/zinc/49/85/34/569498534.db2.gz XULWRSHGLPYTCA-NQIIRXRSSA-N 0 0 443.551 4.220 50 0 IIAARN COc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000009056285 569498965 /nfs/dbraw/zinc/49/89/65/569498965.db2.gz DDDDPRQLGDDKMC-KRWDZBQOSA-N 0 0 445.548 4.307 50 0 IIAARN CN(CCc1ccccn1)C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355522 569499766 /nfs/dbraw/zinc/49/97/66/569499766.db2.gz QEQNSFSCFFFHSE-UHFFFAOYSA-N 0 0 435.336 4.412 50 0 IIAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009076670 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IIAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N1CCc2ccccc2C1 ZINC000009547290 569546347 /nfs/dbraw/zinc/54/63/47/569546347.db2.gz JYNJOCQTWGPVTG-UHFFFAOYSA-N 0 0 427.456 4.129 50 0 biogenic IIAARN Cc1nn(C(C)(C)C)c(OC(=O)[C@H](C)Oc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000009558970 569546888 /nfs/dbraw/zinc/54/68/88/569546888.db2.gz WYRZJZOMIKRDLK-KRWDZBQOSA-N 0 0 442.537 4.152 50 0 IIAARN COc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccc(C)cc3)c(C)nn2C(C)(C)C)c1 ZINC000009559017 569546909 /nfs/dbraw/zinc/54/69/09/569546909.db2.gz GSADJYIDSYWDNO-UHFFFAOYSA-N 0 0 442.537 4.316 50 0 IIAARN CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]12 ZINC000009560473 569547046 /nfs/dbraw/zinc/54/70/46/569547046.db2.gz PZSRBQAQQLRDTP-RPWUZVMVSA-N 0 0 436.552 4.237 50 0 IIAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(Br)c1 ZINC000009568880 569547460 /nfs/dbraw/zinc/54/74/60/569547460.db2.gz KZHUIWAZPJPHAJ-UHFFFAOYSA-N 0 0 445.317 4.332 50 0 IIAARN Cc1cccc(OCC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 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CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(-c3cccc(Cl)c3)nc2N1 ZINC000009601992 569551674 /nfs/dbraw/zinc/55/16/74/569551674.db2.gz IBHPJFIRBJAWIH-HXUWFJFHSA-N 0 0 443.898 4.316 50 0 IIAARN CCOC(=O)[C@@]1(C)C(Br)=C(Nc2cccc(C)c2)C(=O)N1c1ccccc1 ZINC000009602066 569551681 /nfs/dbraw/zinc/55/16/81/569551681.db2.gz JOHFFHVXVJIKJK-OAQYLSRUSA-N 0 0 429.314 4.382 50 0 IIAARN COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)o1 ZINC000009602806 569551696 /nfs/dbraw/zinc/55/16/96/569551696.db2.gz IOSKEOGJPRGTCK-UHFFFAOYSA-N 0 0 428.535 4.169 50 0 IIAARN CCOc1ccc(CCNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)cc1OCC ZINC000009604905 569551922 /nfs/dbraw/zinc/55/19/22/569551922.db2.gz UKDOOQRVBDSZRQ-UHFFFAOYSA-N 0 0 429.904 4.084 50 0 IIAARN Cc1cccc(-c2nnc(CSc3nnc(N4CCOCC4)n3-c3cccc(C)c3)o2)c1 ZINC000009606529 569551978 /nfs/dbraw/zinc/55/19/78/569551978.db2.gz DOUMNMRUELUCPU-UHFFFAOYSA-N 0 0 448.552 4.063 50 0 IIAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c2C)c1-c1ccccc1 ZINC000009609870 569552442 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COc1ccccc1-c1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000009638038 569554954 /nfs/dbraw/zinc/55/49/54/569554954.db2.gz KMCHZWWFIAJDOZ-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)ns2)cc1 ZINC000009638609 569555054 /nfs/dbraw/zinc/55/50/54/569555054.db2.gz SPZAAXKLXKVYMR-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000009640170 569555348 /nfs/dbraw/zinc/55/53/48/569555348.db2.gz BUWODHPYLQLWDI-MRXNPFEDSA-N 0 0 433.599 4.227 50 0 IIAARN COc1cc(C)ccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n21 ZINC000009640819 569555482 /nfs/dbraw/zinc/55/54/82/569555482.db2.gz MMZBUAOGDSKJLL-UHFFFAOYSA-N 0 0 442.928 4.226 50 0 IIAARN O=C(c1cccs1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000009643011 569555883 /nfs/dbraw/zinc/55/58/83/569555883.db2.gz DENWKJBELSZDEV-UHFFFAOYSA-N 0 0 448.573 4.261 50 0 IIAARN CN(c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1)S(=O)(=O)c1ccccc1 ZINC000009644212 569556044 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CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1c(Cl)cccc1Cl ZINC000009670962 569558457 /nfs/dbraw/zinc/55/84/57/569558457.db2.gz STRPDOFZYVZYMM-UHFFFAOYSA-N 0 0 445.368 4.025 50 0 IIAARN COc1cccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCCO4)s2)c1 ZINC000009672544 569558785 /nfs/dbraw/zinc/55/87/85/569558785.db2.gz AZCMXPMGZNGIIS-UHFFFAOYSA-N 0 0 444.538 4.182 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1C(=O)NCCc1ccccc1 ZINC000009673144 569558881 /nfs/dbraw/zinc/55/88/81/569558881.db2.gz WGYDQXHWDSPVCT-UHFFFAOYSA-N 0 0 440.565 4.134 50 0 IIAARN COCCNC(=O)CSc1[nH]c(-c2ccc(SC)cc2)nc1-c1ccc(OC)cc1 ZINC000009674154 569559053 /nfs/dbraw/zinc/55/90/53/569559053.db2.gz BWDNEPGVXWFECQ-UHFFFAOYSA-N 0 0 443.594 4.329 50 0 IIAARN COCCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccc(F)cc1 ZINC000009674164 569559137 /nfs/dbraw/zinc/55/91/37/569559137.db2.gz PCJJDQOOLGTHCP-UHFFFAOYSA-N 0 0 429.517 4.136 50 0 IIAARN Cc1ccc(-n2nc(C(=O)NCc3ccc(F)cc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682002 569560307 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CC(C)CC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012523506 519606801 /nfs/dbraw/zinc/60/68/01/519606801.db2.gz WIRMQOHXOPLTDD-ASXFNGKXSA-N 0 0 440.588 4.266 50 0 IIAARN CC(C)CCN1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021851243 519652951 /nfs/dbraw/zinc/65/29/51/519652951.db2.gz WARUQXUDZXMORA-HSZRJFAPSA-N 0 0 428.602 4.321 50 0 IIAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(C)(C)C)cc2C(=O)N1Cc1ccccc1Cl ZINC000021862773 519659850 /nfs/dbraw/zinc/65/98/50/519659850.db2.gz TUJWRYGVOIIUNZ-XMMPIXPASA-N 0 0 445.007 4.411 50 0 IIAARN CC(C)CCNC(=O)[C@H]1CN(C(=S)NC(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042472 519661559 /nfs/dbraw/zinc/66/15/59/519661559.db2.gz RSZPAJLWXMACDE-MSOLQXFVSA-N 0 0 429.552 4.166 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)s1 ZINC000012603231 519675255 /nfs/dbraw/zinc/67/52/55/519675255.db2.gz CXQLFDARIJDTAM-UHFFFAOYSA-N 0 0 441.513 4.085 50 0 IIAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000009833504 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CCC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2s1 ZINC000032959459 521230582 /nfs/dbraw/zinc/23/05/82/521230582.db2.gz DPHMCOOTLSEQCH-UHFFFAOYSA-N 0 0 440.544 4.065 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O ZINC000021644259 521253900 /nfs/dbraw/zinc/25/39/00/521253900.db2.gz VFIZKIHHBZCHIS-IFXJQAMLSA-N 0 0 438.528 4.022 50 0 IIAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)N[C@@H](C(=O)OC)c3ccccc3)s2)c1C ZINC000015669174 521259966 /nfs/dbraw/zinc/25/99/66/521259966.db2.gz GONLQAMVSKDOSB-LJQANCHMSA-N 0 0 440.569 4.241 50 0 IIAARN CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)NCC)ccc2Br)cc1 ZINC000012909855 521283502 /nfs/dbraw/zinc/28/35/02/521283502.db2.gz YQLFMBYXXCTCFX-UHFFFAOYSA-N 0 0 439.375 4.342 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(OC)c2)C1 ZINC000035843895 521293368 /nfs/dbraw/zinc/29/33/68/521293368.db2.gz HBTKHDQZVMCTDH-SFHVURJKSA-N 0 0 426.538 4.175 50 0 IIAARN CCCCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000023363944 521327340 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4.220 50 0 IIAARN CCOC(=O)c1c(NC(=O)COc2c(F)c(F)cc(F)c2F)sc2c1CCCC2 ZINC000015857604 521409396 /nfs/dbraw/zinc/40/93/96/521409396.db2.gz GVMZBZAINLUQFK-UHFFFAOYSA-N 0 0 431.407 4.378 50 0 IIAARN CCCc1ccc([C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000012763942 521418656 /nfs/dbraw/zinc/41/86/56/521418656.db2.gz LRVVMIWUZOZJOT-QHCPKHFHSA-N 0 0 436.533 4.065 50 0 IIAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)CC(C)C)cc3)C2=O)cc1 ZINC000022222258 521420365 /nfs/dbraw/zinc/42/03/65/521420365.db2.gz NLVLRJLBKHWOSX-SANMLTNESA-N 0 0 449.551 4.274 50 0 IIAARN CCOc1ccccc1C(=O)Nc1cc(C)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035378665 521463510 /nfs/dbraw/zinc/46/35/10/521463510.db2.gz FDUVZNDNTMEBIO-UHFFFAOYSA-N 0 0 433.464 4.134 50 0 IIAARN CCOc1ccccc1CNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561944 521494427 /nfs/dbraw/zinc/49/44/27/521494427.db2.gz NPEQXSOZSGDLJV-SFHVURJKSA-N 0 0 433.552 4.371 50 0 IIAARN CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978000 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432.520 4.074 50 0 IIAARN Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C ZINC000012767583 524179700 /nfs/dbraw/zinc/17/97/00/524179700.db2.gz GDNGNPOUGMWFPH-HFZDXXHNSA-N 0 0 438.568 4.116 50 0 IIAARN Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C ZINC000012767588 524182005 /nfs/dbraw/zinc/18/20/05/524182005.db2.gz GDNGNPOUGMWFPH-QFQXNSOFSA-N 0 0 438.568 4.116 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000035399310 524188042 /nfs/dbraw/zinc/18/80/42/524188042.db2.gz MWWMYZXZBXWJNE-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN COc1ccc(Cl)cc1-c1nn(CN(C)Cc2cccc(OC)c2OC)c(=S)[nH]1 ZINC000012815127 524191457 /nfs/dbraw/zinc/19/14/57/524191457.db2.gz HRVZRGDQPWUOFT-UHFFFAOYSA-N 0 0 434.949 4.376 50 0 IIAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000015618336 524191739 /nfs/dbraw/zinc/19/17/39/524191739.db2.gz XPMCYSDKNLAJGP-IRXDYDNUSA-N 0 0 446.544 4.379 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c2)c1 ZINC000012540717 524195259 /nfs/dbraw/zinc/19/52/59/524195259.db2.gz URAWJIMAAHLWGH-QGZVFWFLSA-N 0 0 448.548 4.472 50 0 IIAARN Cc1cccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1O ZINC000012589394 524225033 /nfs/dbraw/zinc/22/50/33/524225033.db2.gz MUDJBIXFOSVJMF-LJQANCHMSA-N 0 0 438.867 4.482 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)n(C)n1 ZINC000020616679 524239710 /nfs/dbraw/zinc/23/97/10/524239710.db2.gz FOZUGLIMVXUBHV-UHFFFAOYSA-N 0 0 449.294 4.249 50 0 IIAARN Cc1ccc(CC(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)cc1 ZINC000033311059 524249584 /nfs/dbraw/zinc/24/95/84/524249584.db2.gz LWUHACHXCAXSFA-HSZRJFAPSA-N 0 0 434.580 4.481 50 0 IIAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)[nH]n1 ZINC000042379957 524266295 /nfs/dbraw/zinc/26/62/95/524266295.db2.gz ONJGRLZHTGOUBE-CQSZACIVSA-N 0 0 435.509 4.217 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)CNc1cc(Cl)ccc1N1CCCCC1 ZINC000012640123 524278605 /nfs/dbraw/zinc/27/86/05/524278605.db2.gz OHRQTEIOFCLUJT-UHFFFAOYSA-N 0 0 428.964 4.114 50 0 IIAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1c(C)cc(C)cc1C)[nH]c2=O ZINC000021716229 524308244 /nfs/dbraw/zinc/30/82/44/524308244.db2.gz RMQCHENSOBZULR-UHFFFAOYSA-N 0 0 449.536 4.186 50 0 IIAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1cccc(C)c1C)nnc2C ZINC000023137873 524308686 /nfs/dbraw/zinc/30/86/86/524308686.db2.gz WDLZGUGQLJHWKX-UHFFFAOYSA-N 0 0 433.537 4.480 50 0 IIAARN Cc1cccc(C)c1OCc1cc(C(=O)N2CCCN(Cc3ccccc3F)CC2)no1 ZINC000012613350 524321059 /nfs/dbraw/zinc/32/10/59/524321059.db2.gz WDCGIGCGNGMEGS-UHFFFAOYSA-N 0 0 437.515 4.358 50 0 IIAARN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012137676 524321439 /nfs/dbraw/zinc/32/14/39/524321439.db2.gz QXHVRTBERCVABJ-IBGZPJMESA-N 0 0 438.549 4.188 50 0 IIAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022810934 524322417 /nfs/dbraw/zinc/32/24/17/524322417.db2.gz SKTKODIABOQZAQ-UGKGYDQZSA-N 0 0 426.630 4.047 50 0 IIAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2n1 ZINC000012580648 524339903 /nfs/dbraw/zinc/33/99/03/524339903.db2.gz OEPOYNNAQCHMBB-UHFFFAOYSA-N 0 0 444.516 4.319 50 0 IIAARN COc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3C)s2)CC1 ZINC000033113995 524341905 /nfs/dbraw/zinc/34/19/05/524341905.db2.gz JKJXWQGFIPZFSE-UHFFFAOYSA-N 0 0 436.537 4.127 50 0 IIAARN COc1ccccc1C(=O)N=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020443170 524345078 /nfs/dbraw/zinc/34/50/78/524345078.db2.gz UCQAFAQQEPNZFE-UHFFFAOYSA-N 0 0 431.867 4.225 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1cccc(Cl)c1 ZINC000012523446 524347986 /nfs/dbraw/zinc/34/79/86/524347986.db2.gz ITBPQXBAPHPCIP-UHFFFAOYSA-N 0 0 429.929 4.291 50 0 IIAARN Cc1cc(C)cc(-n2c(SCC(=O)N(C)Cc3ccco3)nc3ccccc3c2=O)c1 ZINC000021239224 524357069 /nfs/dbraw/zinc/35/70/69/524357069.db2.gz JENOCLABBJMHAL-UHFFFAOYSA-N 0 0 433.533 4.346 50 0 IIAARN Cc1cc(C)cc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c(c2=O)SCC3)c1 ZINC000012140531 524357244 /nfs/dbraw/zinc/35/72/44/524357244.db2.gz RHLQBFFJMSNWAJ-UHFFFAOYSA-N 0 0 449.601 4.179 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3OC)c2)cc1 ZINC000012648029 524357498 /nfs/dbraw/zinc/35/74/98/524357498.db2.gz YDYMJFXHFUXGKS-UHFFFAOYSA-N 0 0 440.521 4.090 50 0 IIAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000035910979 524389921 /nfs/dbraw/zinc/38/99/21/524389921.db2.gz LUAUFFGVAHTEQW-QFIPXVFZSA-N 0 0 440.546 4.275 50 0 IIAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021856745 524397061 /nfs/dbraw/zinc/39/70/61/524397061.db2.gz JCUCLULXTASIBV-SANMLTNESA-N 0 0 447.535 4.136 50 0 IIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1 ZINC000041086087 524430061 /nfs/dbraw/zinc/43/00/61/524430061.db2.gz ZYHMWCDUJXQTDL-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021860435 524435652 /nfs/dbraw/zinc/43/56/52/524435652.db2.gz CKUDARFDNVKWDP-SANMLTNESA-N 0 0 430.552 4.208 50 0 IIAARN COc1ccc(NC(=O)/C=C/c2ccco2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012531486 524449688 /nfs/dbraw/zinc/44/96/88/524449688.db2.gz CJODFJUOKKIAFZ-PKNBQFBNSA-N 0 0 432.885 4.394 50 0 IIAARN Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3Br)s2)c1 ZINC000012921022 524472596 /nfs/dbraw/zinc/47/25/96/524472596.db2.gz DECRMXMNXBKBSV-UHFFFAOYSA-N 0 0 444.354 4.173 50 0 IIAARN COc1ccccc1CNc1ncnc2sc(C(=O)N(C)[C@@H](C)c3ccon3)c(C)c21 ZINC000014961352 524492586 /nfs/dbraw/zinc/49/25/86/524492586.db2.gz IHMCSQWBLFPUNU-AWEZNQCLSA-N 0 0 437.525 4.442 50 0 IIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)N4CCC[C@H](C)C4)nc-3c3cc(F)ccc32)c1 ZINC000020937101 524495833 /nfs/dbraw/zinc/49/58/33/524495833.db2.gz YUANVRUEWQWMFO-SFHVURJKSA-N 0 0 446.526 4.057 50 0 IIAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(OC)c1 ZINC000033012590 524501769 /nfs/dbraw/zinc/50/17/69/524501769.db2.gz NLXHWOOIJHAMEU-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1 ZINC000021935496 524503465 /nfs/dbraw/zinc/50/34/65/524503465.db2.gz HLJNPPVXYMXLHJ-LJQANCHMSA-N 0 0 436.537 4.072 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000009662856 524513376 /nfs/dbraw/zinc/51/33/76/524513376.db2.gz XLEAQEPFSZADKB-IBGZPJMESA-N 0 0 426.520 4.152 50 0 IIAARN Cc1cccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC2)c1C ZINC000012555768 524545705 /nfs/dbraw/zinc/54/57/05/524545705.db2.gz OHKBXXXUNLKLRG-FQEVSTJZSA-N 0 0 429.973 4.109 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4N3C(=O)c3ccccc3)CC2)c1C ZINC000021154938 524550821 /nfs/dbraw/zinc/55/08/21/524550821.db2.gz AASCOOJYOBLTCD-AREMUKBSSA-N 0 0 439.559 4.224 50 0 IIAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000021873542 524563545 /nfs/dbraw/zinc/56/35/45/524563545.db2.gz MBDXXLPBUKKFNA-UHFFFAOYSA-N 0 0 449.946 4.096 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2)c1 ZINC000033050297 524608331 /nfs/dbraw/zinc/60/83/31/524608331.db2.gz SINUHVULDJSQKC-UHFFFAOYSA-N 0 0 444.560 4.392 50 0 IIAARN COc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c(OC)c1 ZINC000015882854 524646315 /nfs/dbraw/zinc/64/63/15/524646315.db2.gz WKUZZFPNLXCGHL-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012789333 524647335 /nfs/dbraw/zinc/64/73/35/524647335.db2.gz HWOUSVAEXBBGAC-UHFFFAOYSA-N 0 0 428.485 4.220 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(F)c4)CC3=O)c2)c1 ZINC000033308628 524662381 /nfs/dbraw/zinc/66/23/81/524662381.db2.gz GJBSLCHISPMGOP-GOSISDBHSA-N 0 0 431.467 4.378 50 0 IIAARN Cc1cccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1C ZINC000021885420 524705151 /nfs/dbraw/zinc/70/51/51/524705151.db2.gz MHXFRUXMFGRWSN-UHFFFAOYSA-N 0 0 440.912 4.053 50 0 IIAARN Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4nc(C5CC5)no4)c(=O)c32)cc1 ZINC000033311876 524769304 /nfs/dbraw/zinc/76/93/04/524769304.db2.gz DSDAHKLDMSOJOB-UHFFFAOYSA-N 0 0 429.455 4.156 50 0 IIAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(F)cc3F)CC2)c1 ZINC000033142052 524789581 /nfs/dbraw/zinc/78/95/81/524789581.db2.gz SAQDUSDAYJUNDW-UHFFFAOYSA-N 0 0 438.478 4.388 50 0 IIAARN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2C)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051634 524817370 /nfs/dbraw/zinc/81/73/70/524817370.db2.gz MZTPESDNYSVWQT-RPWUZVMVSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1ccc(N(C(=O)COc2ccc(Cl)cc2Cl)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000022170580 524875758 /nfs/dbraw/zinc/87/57/58/524875758.db2.gz LROHECBYXRWULM-MRXNPFEDSA-N 0 0 426.321 4.025 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(Br)cc2F)c1 ZINC000012777649 524893339 /nfs/dbraw/zinc/89/33/39/524893339.db2.gz FYZGPWXBIMJDSZ-KRWDZBQOSA-N 0 0 438.293 4.348 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556987 524898336 /nfs/dbraw/zinc/89/83/36/524898336.db2.gz BEWLJYDNDOZWLB-MRXNPFEDSA-N 0 0 438.963 4.370 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1 ZINC000015828855 524912551 /nfs/dbraw/zinc/91/25/51/524912551.db2.gz WMIICFHWRWIIFY-QGZVFWFLSA-N 0 0 430.888 4.019 50 0 IIAARN C[C@@H](Cc1cnccn1)NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012300969 524941977 /nfs/dbraw/zinc/94/19/77/524941977.db2.gz WKPCBACININPRK-LBPRGKRZSA-N 0 0 431.443 4.233 50 0 IIAARN C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911385 524954716 /nfs/dbraw/zinc/95/47/16/524954716.db2.gz ULRBRDDTKXDNLD-FUHWJXTLSA-N 0 0 437.565 4.124 50 0 IIAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767525 524999581 /nfs/dbraw/zinc/99/95/81/524999581.db2.gz SUELGAONEDRMBC-OAQYLSRUSA-N 0 0 430.570 4.274 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000015391255 525026985 /nfs/dbraw/zinc/02/69/85/525026985.db2.gz ANEUGYPFABCFFK-HXUWFJFHSA-N 0 0 430.570 4.391 50 0 IIAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)n2)C[C@H](C)O1 ZINC000012588943 525029124 /nfs/dbraw/zinc/02/91/24/525029124.db2.gz REVPAGWJSGZKJH-CALCHBBNSA-N 0 0 447.564 4.344 50 0 IIAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000012891897 525042498 /nfs/dbraw/zinc/04/24/98/525042498.db2.gz ZLPKZJDFZYIYRP-UHFFFAOYSA-N 0 0 439.519 4.013 50 0 IIAARN Cc1ccccc1C(=O)NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012622293 525051827 /nfs/dbraw/zinc/05/18/27/525051827.db2.gz OVBHDDQCHWVCRE-UHFFFAOYSA-N 0 0 429.589 4.417 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033275092 525054606 /nfs/dbraw/zinc/05/46/06/525054606.db2.gz CQYDLIHZJRZOJW-UHFFFAOYSA-N 0 0 443.526 4.377 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021151187 525065248 /nfs/dbraw/zinc/06/52/48/525065248.db2.gz VDITZECKLVUFPW-UHFFFAOYSA-N 0 0 433.537 4.325 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(C)c4)cn32)cc1 ZINC000033284323 525085602 /nfs/dbraw/zinc/08/56/02/525085602.db2.gz HDRGMTYCDHKRFI-UHFFFAOYSA-N 0 0 431.521 4.329 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1F ZINC000012180342 525086761 /nfs/dbraw/zinc/08/67/61/525086761.db2.gz PVYPMEWAUHMGOX-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)c(C)c1 ZINC000035535148 525103614 /nfs/dbraw/zinc/10/36/14/525103614.db2.gz ZYVZIZZGXYHSMQ-UHFFFAOYSA-N 0 0 439.515 4.500 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(F)cc32)c(C)c1 ZINC000035535381 525104231 /nfs/dbraw/zinc/10/42/31/525104231.db2.gz JJEFHPDORQHVSB-UHFFFAOYSA-N 0 0 443.478 4.331 50 0 IIAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)c(Cl)c1 ZINC000033300138 525105554 /nfs/dbraw/zinc/10/55/54/525105554.db2.gz LITFFVZLNULWGD-UHFFFAOYSA-N 0 0 428.876 4.260 50 0 IIAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC3CCCC3)C(=O)N21 ZINC000012881156 525116622 /nfs/dbraw/zinc/11/66/22/525116622.db2.gz HPOJRIWDVHTBHH-NYHFZMIOSA-N 0 0 442.519 4.295 50 0 biogenic IIAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000017272044 525126459 /nfs/dbraw/zinc/12/64/59/525126459.db2.gz MBLBFNFKOGJSIQ-CYBMUJFWSA-N 0 0 442.566 4.082 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)N2CCCCC2)cc1 ZINC000012804703 525184740 /nfs/dbraw/zinc/18/47/40/525184740.db2.gz YTEXIVVWKLOHNA-OAQYLSRUSA-N 0 0 437.584 4.444 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442344 525227872 /nfs/dbraw/zinc/22/78/72/525227872.db2.gz RMCAGMCGLIHIHY-HNNXBMFYSA-N 0 0 448.504 4.439 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035946639 525239079 /nfs/dbraw/zinc/23/90/79/525239079.db2.gz WEEJCPUSQMGGJG-QFIPXVFZSA-N 0 0 439.531 4.407 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4nc5ccccc5s4)c(=O)[nH]c3C2)cc1 ZINC000021042653 525239335 /nfs/dbraw/zinc/23/93/35/525239335.db2.gz LZOBBCOVMUWUAM-AWEZNQCLSA-N 0 0 445.500 4.158 50 0 IIAARN CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cc4ccccc4o2)O3)cc1 ZINC000012202663 525241278 /nfs/dbraw/zinc/24/12/78/525241278.db2.gz CHFWJAMEADKQQX-HXUWFJFHSA-N 0 0 447.512 4.237 50 0 IIAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O ZINC000012550238 525242079 /nfs/dbraw/zinc/24/20/79/525242079.db2.gz NMROZHVOPIJAHF-AREMUKBSSA-N 0 0 443.503 4.361 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000015961439 525244085 /nfs/dbraw/zinc/24/40/85/525244085.db2.gz STMDLVDCRHVBDM-UHFFFAOYSA-N 0 0 426.460 4.352 50 0 IIAARN Cc1ccccc1NC(=O)Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O ZINC000020937186 525247198 /nfs/dbraw/zinc/24/71/98/525247198.db2.gz JUDHPURUQAZHJB-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN Cc1ccc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000012929179 525248608 /nfs/dbraw/zinc/24/86/08/525248608.db2.gz APOOFCHNTWUATD-UHFFFAOYSA-N 0 0 433.942 4.094 50 0 IIAARN Cc1cc(NC(=O)c2cccc(F)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000009661249 525250836 /nfs/dbraw/zinc/25/08/36/525250836.db2.gz CCGGSADOXINRCG-UHFFFAOYSA-N 0 0 441.470 4.318 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)ccc1Br ZINC000012771257 525253996 /nfs/dbraw/zinc/25/39/96/525253996.db2.gz YFZWFTLZVJTMIT-UHFFFAOYSA-N 0 0 437.359 4.184 50 0 IIAARN COc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012876010 525256838 /nfs/dbraw/zinc/25/68/38/525256838.db2.gz BZUCWLFGQYAQAP-IDISGSTGSA-N 0 0 443.547 4.151 50 0 biogenic IIAARN CS(=O)(=O)c1ccc2c(c1)N(Cn1nc(C3CC3)n(-c3ccccc3)c1=S)CCC2 ZINC000058182269 525264061 /nfs/dbraw/zinc/26/40/61/525264061.db2.gz UVDJJAZLGAWJSQ-UHFFFAOYSA-N 0 0 440.594 4.094 50 0 IIAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1F ZINC000012754719 525264319 /nfs/dbraw/zinc/26/43/19/525264319.db2.gz CIBNDMDLSIVIAI-UHFFFAOYSA-N 0 0 430.526 4.195 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CCN5CCOCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000020610959 525353567 /nfs/dbraw/zinc/35/35/67/525353567.db2.gz KAKVHSSQEBAXOC-NTZZUUETSA-N 0 0 431.617 4.232 50 0 biogenic IIAARN Cc1cc(OCC(=O)N2CCc3c(sc4ncnc(N)c43)C2)c(C(C)C)cc1Cl ZINC000012555363 525359642 /nfs/dbraw/zinc/35/96/42/525359642.db2.gz LDDIEHFXXQALAR-UHFFFAOYSA-N 0 0 430.961 4.322 50 0 IIAARN COc1ccc([C@H]2CCCCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791800 525407743 /nfs/dbraw/zinc/40/77/43/525407743.db2.gz VAAUEPQDLWNLSF-JOCHJYFZSA-N 0 0 443.975 4.329 50 0 IIAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)o3)cc2c1C ZINC000015670835 525419640 /nfs/dbraw/zinc/41/96/40/525419640.db2.gz OAVRVYFFOITSQI-UHFFFAOYSA-N 0 0 447.564 4.276 50 0 IIAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCCc4nc5ccccc5[nH]4)o3)cc2c1C ZINC000021150190 525420293 /nfs/dbraw/zinc/42/02/93/525420293.db2.gz SOZSSCDTBMFFHX-UHFFFAOYSA-N 0 0 446.536 4.162 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000021807014 525448006 /nfs/dbraw/zinc/44/80/06/525448006.db2.gz CWYBDHUNIMVQMI-UHFFFAOYSA-N 0 0 442.306 4.188 50 0 IIAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2N)c(C)c1 ZINC000012865098 525453046 /nfs/dbraw/zinc/45/30/46/525453046.db2.gz GWNYFUQCIKCSJU-UHFFFAOYSA-N 0 0 433.537 4.072 50 0 IIAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000012748806 525478734 /nfs/dbraw/zinc/47/87/34/525478734.db2.gz GCNHTXQZNUMFGP-QMTHXVAHSA-N 0 0 441.336 4.244 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)cc1 ZINC000012801591 525498038 /nfs/dbraw/zinc/49/80/38/525498038.db2.gz XDXOYDUCXCRKIW-UHFFFAOYSA-N 0 0 430.555 4.047 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000012745686 525521100 /nfs/dbraw/zinc/52/11/00/525521100.db2.gz QEBWBLJORUFKSB-QHCPKHFHSA-N 0 0 428.598 4.299 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-c3csc(C)n3)cc2)s1 ZINC000012923511 525533866 /nfs/dbraw/zinc/53/38/66/525533866.db2.gz AQQSFLYRMMUABK-GOSISDBHSA-N 0 0 447.607 4.280 50 0 IIAARN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)[nH]nc1-2 ZINC000021018348 525536051 /nfs/dbraw/zinc/53/60/51/525536051.db2.gz IHEYZXAZSQICMF-UHFFFAOYSA-N 0 0 436.943 4.108 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)c1ccccc1 ZINC000032987987 525592216 /nfs/dbraw/zinc/59/22/16/525592216.db2.gz GZKQNCQFFTZSMZ-BEFAXECRSA-N 0 0 449.414 4.221 50 0 IIAARN C[C@@H]1S[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000012416925 525624663 /nfs/dbraw/zinc/62/46/63/525624663.db2.gz FWCUDIPRIOFEOS-QMHKHESXSA-N 0 0 441.984 4.451 50 0 IIAARN Cc1ccc(SCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000015734150 525649891 /nfs/dbraw/zinc/64/98/91/525649891.db2.gz HTXQLKARDBEFQF-UHFFFAOYSA-N 0 0 429.567 4.343 50 0 IIAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc5c(c4)CCCC5)c3)cn2n1 ZINC000012441341 525655156 /nfs/dbraw/zinc/65/51/56/525655156.db2.gz YYXQGXPUZKTVOP-UHFFFAOYSA-N 0 0 448.548 4.393 50 0 IIAARN Cc1cc2nc(COc3cc(NC(=O)COc4c(C)cccc4C)ccc3C)cc(=O)n2o1 ZINC000035378622 525672485 /nfs/dbraw/zinc/67/24/85/525672485.db2.gz YGRUDVOLOBUGMK-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN COc1ccc2nc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)sc2c1 ZINC000012599183 525674787 /nfs/dbraw/zinc/67/47/87/525674787.db2.gz ZSDLQRNRMVKWIZ-UHFFFAOYSA-N 0 0 429.457 4.358 50 0 IIAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c12 ZINC000020947460 525676596 /nfs/dbraw/zinc/67/65/96/525676596.db2.gz LGSUHTUPUDMQLS-UHFFFAOYSA-N 0 0 438.959 4.464 50 0 IIAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)Nc3ccc(F)cc3F)c(=O)c12 ZINC000032999211 525679522 /nfs/dbraw/zinc/67/95/22/525679522.db2.gz FHMOPYQWQAHENB-UHFFFAOYSA-N 0 0 440.425 4.250 50 0 IIAARN Cc1cc2oc(=O)cc(CNc3ccc(NC(=O)CN4CCOCC4)cc3)c2cc1C(C)C ZINC000012549995 525690020 /nfs/dbraw/zinc/69/00/20/525690020.db2.gz CZYWZUKFNGMCQG-UHFFFAOYSA-N 0 0 449.551 4.108 50 0 IIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccco2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021524891 525710549 /nfs/dbraw/zinc/71/05/49/525710549.db2.gz YQNDSMXLOJONDL-OAQYLSRUSA-N 0 0 438.487 4.111 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021785984 525719024 /nfs/dbraw/zinc/71/90/24/525719024.db2.gz IYZRMXWXBYLULI-IBGZPJMESA-N 0 0 444.940 4.133 50 0 IIAARN COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c1 ZINC000035460309 525719208 /nfs/dbraw/zinc/71/92/08/525719208.db2.gz WSUFZUUIFJSREI-UHFFFAOYSA-N 0 0 431.496 4.165 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)no2)cc1 ZINC000021807592 525725466 /nfs/dbraw/zinc/72/54/66/525725466.db2.gz XXXFATOARWIROS-NRFANRHFSA-N 0 0 425.916 4.107 50 0 IIAARN COc1cccc(-c2nn(Cc3nc(-c4cccs4)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021533817 525730900 /nfs/dbraw/zinc/73/09/00/525730900.db2.gz WKINJYSVBSHXOZ-UHFFFAOYSA-N 0 0 434.477 4.442 50 0 IIAARN C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000022283945 525733064 /nfs/dbraw/zinc/73/30/64/525733064.db2.gz VTJUFVWWDITJTQ-GOSISDBHSA-N 0 0 446.638 4.391 50 0 IIAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012904601 525766778 /nfs/dbraw/zinc/76/67/78/525766778.db2.gz QBBYMFDQAVRIOJ-UHFFFAOYSA-N 0 0 444.553 4.009 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4cc(C)cc(C)c4)nc32)cc1 ZINC000021705171 525785235 /nfs/dbraw/zinc/78/52/35/525785235.db2.gz IERXWPVIKJHFJU-UHFFFAOYSA-N 0 0 443.532 4.337 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccnc1 ZINC000021858001 525793520 /nfs/dbraw/zinc/79/35/20/525793520.db2.gz VARQYTKDNCXRCH-SANMLTNESA-N 0 0 430.552 4.290 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000021862079 525793611 /nfs/dbraw/zinc/79/36/11/525793611.db2.gz SMWNDWAMAVALED-MHZLTWQESA-N 0 0 444.579 4.333 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1cccs1 ZINC000021862126 525794292 /nfs/dbraw/zinc/79/42/92/525794292.db2.gz GFIMGPKSLXHIQS-DEOSSOPVSA-N 0 0 436.581 4.352 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1CCc1ccccc1 ZINC000035405755 525804282 /nfs/dbraw/zinc/80/42/82/525804282.db2.gz LOIFWPMQSLBHCD-SANMLTNESA-N 0 0 443.572 4.476 50 0 IIAARN C[C@@]1(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)Cc2ccccc2C(=O)O1 ZINC000014673282 525812250 /nfs/dbraw/zinc/81/22/50/525812250.db2.gz YIDZFOOAKRIHSQ-NRFANRHFSA-N 0 0 430.291 4.349 50 0 IIAARN Cc1ccsc1C(=O)N1CCC(Oc2cccc(CN(C)Cc3ccon3)c2)CC1 ZINC000012097850 525817720 /nfs/dbraw/zinc/81/77/20/525817720.db2.gz BTJCGKBNAXXNGA-UHFFFAOYSA-N 0 0 425.554 4.360 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3nccs3)CC2)cc1 ZINC000012759693 525838665 /nfs/dbraw/zinc/83/86/65/525838665.db2.gz SKIMQXKTUQZNFZ-UHFFFAOYSA-N 0 0 429.549 4.267 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000035963278 525858416 /nfs/dbraw/zinc/85/84/16/525858416.db2.gz YWPDJFUMFAMMNH-NRFANRHFSA-N 0 0 442.947 4.076 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962313 525858746 /nfs/dbraw/zinc/85/87/46/525858746.db2.gz AHCXUOKJRPDUMZ-QHCPKHFHSA-N 0 0 437.515 4.161 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 ZINC000012748934 525877665 /nfs/dbraw/zinc/87/76/65/525877665.db2.gz YKLQZWFBAUPYLO-UHFFFAOYSA-N 0 0 431.323 4.310 50 0 IIAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)c1ccc(F)c(F)c1 ZINC000012801288 525894873 /nfs/dbraw/zinc/89/48/73/525894873.db2.gz SMHMTUDMXCKUJU-CYBMUJFWSA-N 0 0 441.430 4.322 50 0 IIAARN Cc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3c2=O)cc1 ZINC000022501107 525895673 /nfs/dbraw/zinc/89/56/73/525895673.db2.gz MEULGCMZUIZBTM-UHFFFAOYSA-N 0 0 433.533 4.420 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3c2nc[nH]c3=O)cc1 ZINC000012462112 525899090 /nfs/dbraw/zinc/89/90/90/525899090.db2.gz NDQHEJHAXOBPJJ-UHFFFAOYSA-N 0 0 433.537 4.073 50 0 biogenic,in-vitro IIAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NCc3ccco3)nnc2-c2cccnc2)c(C)c1 ZINC000012597051 525903534 /nfs/dbraw/zinc/90/35/34/525903534.db2.gz GAHRLXRLCRCKCP-QGZVFWFLSA-N 0 0 433.537 4.336 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000022299643 525924902 /nfs/dbraw/zinc/92/49/02/525924902.db2.gz TVFPEFWPQWMCHJ-JHJVBQTASA-N 0 0 444.384 4.465 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021780702 525930345 /nfs/dbraw/zinc/93/03/45/525930345.db2.gz NEJQDAXQXPDFQR-VWLOTQADSA-N 0 0 435.524 4.107 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(F)c3)C2=O)c1 ZINC000020573824 525959518 /nfs/dbraw/zinc/95/95/18/525959518.db2.gz ZYIDWTJFBAEYGD-XMMPIXPASA-N 0 0 434.492 4.314 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCN(C)CC1)occ3-c1ccccc1 ZINC000020622224 525964224 /nfs/dbraw/zinc/96/42/24/525964224.db2.gz GOHPDYHXVPUGRZ-UHFFFAOYSA-N 0 0 430.504 4.221 50 0 IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1 ZINC000012762182 525967906 /nfs/dbraw/zinc/96/79/06/525967906.db2.gz IENLALZNNXOJPR-LJQANCHMSA-N 0 0 447.535 4.299 50 0 IIAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000023334734 525980337 /nfs/dbraw/zinc/98/03/37/525980337.db2.gz HHIPYQANWSDORX-VWLOTQADSA-N 0 0 428.532 4.314 50 0 IIAARN CSc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000020737933 525984206 /nfs/dbraw/zinc/98/42/06/525984206.db2.gz SGVUFRZJHUIWHD-SSEXGKCCSA-N 0 0 442.606 4.288 50 0 IIAARN CSc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000012789892 525986376 /nfs/dbraw/zinc/98/63/76/525986376.db2.gz CXJPLPQKGRIUHV-UHFFFAOYSA-N 0 0 440.638 4.371 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c1 ZINC000033168826 525997547 /nfs/dbraw/zinc/99/75/47/525997547.db2.gz SIRKPPFIDITCTK-LJQANCHMSA-N 0 0 434.565 4.169 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000023562392 526010798 /nfs/dbraw/zinc/01/07/98/526010798.db2.gz BQTCDGUKHAWOCT-QGZVFWFLSA-N 0 0 429.549 4.264 50 0 IIAARN C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012761636 526018469 /nfs/dbraw/zinc/01/84/69/526018469.db2.gz SDZHZSOXCBRURP-JTQLQIEISA-N 0 0 427.839 4.454 50 0 IIAARN Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000036021893 526026966 /nfs/dbraw/zinc/02/69/66/526026966.db2.gz WPCVBEZUENSBSF-YADHBBJMSA-N 0 0 449.016 4.215 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)NCCc4cccnc4)c3C3CC3)n2)c(C)s1 ZINC000012152446 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Cc1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 ZINC000012776993 526253050 /nfs/dbraw/zinc/25/30/50/526253050.db2.gz YFHQZUYZEPXLKA-UHFFFAOYSA-N 0 0 443.594 4.351 50 0 IIAARN C[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012155188 526264893 /nfs/dbraw/zinc/26/48/93/526264893.db2.gz UYMFSCBNFABKMI-PPHZAIPVSA-N 0 0 430.548 4.161 50 0 IIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012781782 526270763 /nfs/dbraw/zinc/27/07/63/526270763.db2.gz QCRWUZPUMRHDMD-UHFFFAOYSA-N 0 0 439.387 4.492 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCc3nc4ccccc4[nH]3)cc12 ZINC000012628662 526290817 /nfs/dbraw/zinc/29/08/17/526290817.db2.gz GMFCRKTUKBKWGR-UHFFFAOYSA-N 0 0 433.512 4.442 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc12 ZINC000012785651 526291155 /nfs/dbraw/zinc/29/11/55/526291155.db2.gz WTFNTIBQGOLDQA-SFHVURJKSA-N 0 0 426.517 4.219 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000012922328 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4.092 50 0 IIAARN O=C(CCCCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCc2ccccc2C1 ZINC000012296671 526423887 /nfs/dbraw/zinc/42/38/87/526423887.db2.gz ALSZWXRSJUCWMM-UHFFFAOYSA-N 0 0 444.579 4.381 50 0 biogenic IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)c1C ZINC000020580458 526450190 /nfs/dbraw/zinc/45/01/90/526450190.db2.gz CTQUEXFLOUPRAK-UHFFFAOYSA-N 0 0 445.972 4.431 50 0 IIAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000018142901 526480417 /nfs/dbraw/zinc/48/04/17/526480417.db2.gz VHATVBSJQSZSDF-ROUUACIJSA-N 0 0 431.517 4.243 50 0 IIAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000022766086 526494192 /nfs/dbraw/zinc/49/41/92/526494192.db2.gz PTJMKVPFUQYJAM-QFIPXVFZSA-N 0 0 430.529 4.384 50 0 IIAARN Cc1n[nH]c(C)c1CCN(C)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 ZINC000020864567 526494520 /nfs/dbraw/zinc/49/45/20/526494520.db2.gz RTEDSRZHMRFGLQ-UHFFFAOYSA-N 0 0 443.551 4.301 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000015095717 526521452 /nfs/dbraw/zinc/52/14/52/526521452.db2.gz PEOBCNBVFKBXEX-QGZVFWFLSA-N 0 0 431.496 4.284 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N(C[C@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000022893293 526526284 /nfs/dbraw/zinc/52/62/84/526526284.db2.gz WJGZJKCJTNZTKX-DOTOQJQBSA-N 0 0 439.512 4.001 50 0 IIAARN O=C(CCSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000012741769 526545559 /nfs/dbraw/zinc/54/55/59/526545559.db2.gz QQQIOSYASQMNDQ-UHFFFAOYSA-N 0 0 425.533 4.123 50 0 IIAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1 ZINC000035890403 526584425 /nfs/dbraw/zinc/58/44/25/526584425.db2.gz IQYZBYZDBQBZDL-UHFFFAOYSA-N 0 0 430.527 4.241 50 0 IIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000012886205 526595123 /nfs/dbraw/zinc/59/51/23/526595123.db2.gz FMLKFFQJLABINB-UHFFFAOYSA-N 0 0 440.487 4.451 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000014959559 526598204 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O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(c2nnc3ccccn32)CC1 ZINC000022306500 526656539 /nfs/dbraw/zinc/65/65/39/526656539.db2.gz XQWSGNKUEHOTDS-UHFFFAOYSA-N 0 0 435.915 4.377 50 0 IIAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1Br ZINC000012923107 526686189 /nfs/dbraw/zinc/68/61/89/526686189.db2.gz HTVACPVDMBLLDE-UHFFFAOYSA-N 0 0 432.343 4.128 50 0 IIAARN O=C(c1ccc(F)c(F)c1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598285 526686850 /nfs/dbraw/zinc/68/68/50/526686850.db2.gz VBUYKGUAYAMSEJ-UHFFFAOYSA-N 0 0 446.501 4.321 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCc2cc(CNS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000035510611 526689576 /nfs/dbraw/zinc/68/95/76/526689576.db2.gz HBKGFAGZLIBENW-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012601282 526713444 /nfs/dbraw/zinc/71/34/44/526713444.db2.gz JKRMBDMZMWDSOT-SANMLTNESA-N 0 0 425.488 4.076 50 0 IIAARN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035887573 526728808 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4.093 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000012863594 527540961 /nfs/dbraw/zinc/54/09/61/527540961.db2.gz GVTIFUBXOPRFAZ-MRXNPFEDSA-N 0 0 428.330 4.335 50 0 IIAARN COc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 ZINC000000936476 536542777 /nfs/dbraw/zinc/54/27/77/536542777.db2.gz RCROGWXEORZNSL-UHFFFAOYSA-N 0 0 435.760 4.166 50 0 IIAARN CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OCC)c2)c1 ZINC000004705156 535327681 /nfs/dbraw/zinc/32/76/81/535327681.db2.gz WAEGMGONANLGOL-UHFFFAOYSA-N 0 0 426.513 4.131 50 0 IIAARN COc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000008594559 536889984 /nfs/dbraw/zinc/88/99/84/536889984.db2.gz ZIKYRRTVPCNWEE-UHFFFAOYSA-N 0 0 434.521 4.164 50 0 aggregator IIAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000009886321 537001880 /nfs/dbraw/zinc/00/18/80/537001880.db2.gz MDUQTBKBJGGQCN-UHFFFAOYSA-N 0 0 429.520 4.218 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000010220784 537001892 /nfs/dbraw/zinc/00/18/92/537001892.db2.gz DTEFYKLYYFEUPO-UHFFFAOYSA-N 0 0 428.535 4.151 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000000634111 537067977 /nfs/dbraw/zinc/06/79/77/537067977.db2.gz GXBFEBMKYXOUPH-UHFFFAOYSA-N 0 0 429.314 4.475 50 0 IIAARN O=S1(=O)c2ccccc2N[C@@H](c2cccc(OC3CSC3)c2)N1Cc1ccccc1 ZINC000000628400 555513785 /nfs/dbraw/zinc/51/37/85/555513785.db2.gz YXJSEBAOOITNEA-HSZRJFAPSA-N 0 0 438.574 4.496 50 0 IIAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000630044 555514192 /nfs/dbraw/zinc/51/41/92/555514192.db2.gz CETQSNDMVCSANT-UHFFFAOYSA-N 0 0 427.085 4.105 50 0 IIAARN COC(=O)c1c2cc(-c3ccccc3Cl)ncn2c(C(=O)c2ccccc2)c1C(=O)OC ZINC000000632505 555515472 /nfs/dbraw/zinc/51/54/72/555515472.db2.gz KPKOXZBNQZGJCD-UHFFFAOYSA-N 0 0 448.862 4.459 50 0 IIAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000638521 555517494 /nfs/dbraw/zinc/51/74/94/555517494.db2.gz DERZLUVZTVSYJV-OAHLLOKOSA-N 0 0 436.961 4.014 50 0 IIAARN O=C(OC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000000638711 555517515 /nfs/dbraw/zinc/51/75/15/555517515.db2.gz OYTQFYBMBBVDPN-UWJYYQICSA-N 0 0 433.291 4.315 50 0 IIAARN CSc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)cc2)cc1 ZINC000000654977 555524414 /nfs/dbraw/zinc/52/44/14/555524414.db2.gz ZUNFDOZKZRTOTF-UHFFFAOYSA-N 0 0 432.611 4.315 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)c(Cl)c2)cc1 ZINC000000656526 555525102 /nfs/dbraw/zinc/52/51/02/555525102.db2.gz MIAUUFHIMKBONU-UHFFFAOYSA-N 0 0 432.929 4.062 50 0 IIAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)c1 ZINC000000667230 555529262 /nfs/dbraw/zinc/52/92/62/555529262.db2.gz IKPQSWDXHNGNKX-UHFFFAOYSA-N 0 0 442.990 4.014 50 0 IIAARN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(C(C)=O)cc2)c(Br)c1 ZINC000000676753 555534901 /nfs/dbraw/zinc/53/49/01/555534901.db2.gz MZKPLXJGAAKUPU-UHFFFAOYSA-N 0 0 435.343 4.106 50 0 IIAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000000682105 555538045 /nfs/dbraw/zinc/53/80/45/555538045.db2.gz ZLYWDPNOYCHQJJ-UHFFFAOYSA-N 0 0 446.960 4.349 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)c1 ZINC000000682302 555538053 /nfs/dbraw/zinc/53/80/53/555538053.db2.gz XFZXFHVOQLBUGD-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 biogenic IIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)N(C(=O)CC)c1ccccc1-2 ZINC000000684645 555539475 /nfs/dbraw/zinc/53/94/75/555539475.db2.gz UUHHCMZUDWSAAG-NRFANRHFSA-N 0 0 436.493 4.214 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1NC(=O)COc1ccccc1C ZINC000000709985 555546843 /nfs/dbraw/zinc/54/68/43/555546843.db2.gz LLOHBJAKURACNT-UHFFFAOYSA-N 0 0 444.553 4.185 50 0 IIAARN COc1ccc([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1Br ZINC000000713031 555547717 /nfs/dbraw/zinc/54/77/17/555547717.db2.gz MVJLDJBZDAMZEY-IBGZPJMESA-N 0 0 446.322 4.452 50 0 IIAARN COc1ccc([C@@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000000713749 555548019 /nfs/dbraw/zinc/54/80/19/555548019.db2.gz DUNIYKRYQDDQQL-IBGZPJMESA-N 0 0 446.322 4.452 50 0 IIAARN COC(=O)c1sc(NC(=O)CSc2cc(C)c3ccccc3n2)c(C(=O)OC)c1C ZINC000000719362 555549381 /nfs/dbraw/zinc/54/93/81/555549381.db2.gz YFDDDCXBWTYVDY-UHFFFAOYSA-N 0 0 444.534 4.217 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@H](C)C(=O)OC3CCCCC3)c(=O)c12 ZINC000000791195 555557126 /nfs/dbraw/zinc/55/71/26/555557126.db2.gz JGSXKJNPKWMTJV-OAHLLOKOSA-N 0 0 439.537 4.456 50 0 IIAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C ZINC000000799611 555558950 /nfs/dbraw/zinc/55/89/50/555558950.db2.gz AZBICJOBHDKYGG-PKNBQFBNSA-N 0 0 447.509 4.079 50 0 IIAARN CCOc1c(Br)cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1OC ZINC000000816261 555562931 /nfs/dbraw/zinc/56/29/31/555562931.db2.gz TXGBWTRZSLWBSP-GFCCVEGCSA-N 0 0 434.286 4.102 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3n2)cc1 ZINC000000845035 555569008 /nfs/dbraw/zinc/56/90/08/555569008.db2.gz TYERRSVSYMOCQO-UHFFFAOYSA-N 0 0 432.427 4.415 50 0 IIAARN CC(C)NC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845230 555569326 /nfs/dbraw/zinc/56/93/26/555569326.db2.gz DRJGQXFRADOARK-UHFFFAOYSA-N 0 0 427.224 4.316 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Br)c(C(=O)OCC)c1C ZINC000000846880 555569691 /nfs/dbraw/zinc/56/96/91/555569691.db2.gz OQISDNVNXDFRPY-UHFFFAOYSA-N 0 0 440.315 4.425 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC(C)(C)OC2 ZINC000000866581 555573975 /nfs/dbraw/zinc/57/39/75/555573975.db2.gz SYKSTQJCCGTTLH-UHFFFAOYSA-N 0 0 449.525 4.054 50 0 IIAARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000875706 555576113 /nfs/dbraw/zinc/57/61/13/555576113.db2.gz LWMAJNMQKFHSBQ-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000000878921 555576750 /nfs/dbraw/zinc/57/67/50/555576750.db2.gz ZLZVNZPEMQBHOP-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000886256 555578942 /nfs/dbraw/zinc/57/89/42/555578942.db2.gz IAQWFMWTEKNXRW-DEOSSOPVSA-N 0 0 432.501 4.442 50 0 IIAARN Cc1ccc(N(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)S(C)(=O)=O)cc1C ZINC000000887073 555579250 /nfs/dbraw/zinc/57/92/50/555579250.db2.gz PEOPQRYUIQSKSG-UHFFFAOYSA-N 0 0 448.588 4.468 50 0 IIAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 ZINC000000939240 555586512 /nfs/dbraw/zinc/58/65/12/555586512.db2.gz BMGAHVYMACSPFF-UHFFFAOYSA-N 0 0 427.671 4.446 50 0 IIAARN COc1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)c(OC)c1 ZINC000000941290 555586968 /nfs/dbraw/zinc/58/69/68/555586968.db2.gz JIGZPLNNBBXTDC-UHFFFAOYSA-N 0 0 427.671 4.446 50 0 IIAARN Cc1sc2nc(SCC(=O)N3CCC(C)CC3)n(-c3ccccc3)c(=O)c2c1C ZINC000000950103 555588767 /nfs/dbraw/zinc/58/87/67/555588767.db2.gz RQNMHZCWDUOJCK-UHFFFAOYSA-N 0 0 427.595 4.415 50 0 IIAARN C[C@@H](OC(=O)c1cc(Br)c(N)c(Br)c1)C(=O)c1ccccc1 ZINC000000991668 555596524 /nfs/dbraw/zinc/59/65/24/555596524.db2.gz VUJYLVIUPWIJEG-SECBINFHSA-N 0 0 427.092 4.222 50 0 IIAARN C[C@H](OC(=O)c1cc(Br)c(N)c(Br)c1)C(=O)c1ccccc1 ZINC000000991667 555596596 /nfs/dbraw/zinc/59/65/96/555596596.db2.gz VUJYLVIUPWIJEG-VIFPVBQESA-N 0 0 427.092 4.222 50 0 IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000999057 555599521 /nfs/dbraw/zinc/59/95/21/555599521.db2.gz GXPFQRBXPWMUDN-UQXVNGHOSA-N 0 0 429.903 4.272 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 ZINC000001033223 555606825 /nfs/dbraw/zinc/60/68/25/555606825.db2.gz SRFVKJCCXBHUDP-AWEZNQCLSA-N 0 0 430.551 4.135 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 ZINC000001034755 555607842 /nfs/dbraw/zinc/60/78/42/555607842.db2.gz ZCYQETPXFWOUKY-NRFANRHFSA-N 0 0 430.460 4.164 50 0 IIAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1nsc(Nc2ccccc2)n1 ZINC000001039447 555609361 /nfs/dbraw/zinc/60/93/61/555609361.db2.gz LKKXHGPQDZCAHC-UHFFFAOYSA-N 0 0 431.930 4.344 50 0 IIAARN Cc1ccc(-c2nnc(CSc3n[nH]c(=O)n3-c3ccccc3C(F)(F)F)o2)cc1 ZINC000001047649 555611442 /nfs/dbraw/zinc/61/14/42/555611442.db2.gz CMMDQLFXFVWISU-UHFFFAOYSA-N 0 0 433.415 4.230 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000001053126 555613938 /nfs/dbraw/zinc/61/39/38/555613938.db2.gz CKOOOUJCBSESEQ-JOCHJYFZSA-N 0 0 443.544 4.455 50 0 IIAARN Cc1ccccc1CNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000001058390 555615393 /nfs/dbraw/zinc/61/53/93/555615393.db2.gz LNOBXWBUMAOQGY-UHFFFAOYSA-N 0 0 435.760 4.038 50 0 IIAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000001058356 555615462 /nfs/dbraw/zinc/61/54/62/555615462.db2.gz CPWXVSNAFBDJFG-IBGZPJMESA-N 0 0 438.549 4.367 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1 ZINC000001060667 555616129 /nfs/dbraw/zinc/61/61/29/555616129.db2.gz LNOGSJXVIYRGRU-UHFFFAOYSA-N 0 0 425.696 4.191 50 0 IIAARN COC(=O)c1cc(C)sc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000001062463 555616624 /nfs/dbraw/zinc/61/66/24/555616624.db2.gz PKYDPOSMHDCNRC-ZDUSSCGKSA-N 0 0 444.456 4.304 50 0 IIAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000001062547 555616659 /nfs/dbraw/zinc/61/66/59/555616659.db2.gz SMQZEIAQXDNEFX-UHFFFAOYSA-N 0 0 425.539 4.043 50 0 IIAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000001065243 555617803 /nfs/dbraw/zinc/61/78/03/555617803.db2.gz UPDYAGVFMMRGHE-UHFFFAOYSA-N 0 0 429.428 4.492 50 0 IIAARN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000001067299 555618962 /nfs/dbraw/zinc/61/89/62/555618962.db2.gz CRFOFYRSIBPBIW-NWDGAFQWSA-N 0 0 427.879 4.337 50 0 biogenic IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccncc1 ZINC000001068529 555619965 /nfs/dbraw/zinc/61/99/65/555619965.db2.gz QPORNLCHUMZVFI-JOCHJYFZSA-N 0 0 427.287 4.396 50 0 IIAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1 ZINC000001069301 555620027 /nfs/dbraw/zinc/62/00/27/555620027.db2.gz UJOSIFXSSJHOOI-UHFFFAOYSA-N 0 0 436.418 4.301 50 0 IIAARN COc1c(C)cc(S(=O)(=O)Nc2ccc(I)cc2)c(C)c1C ZINC000001070738 555621159 /nfs/dbraw/zinc/62/11/59/555621159.db2.gz UNLZVLXULNGNRT-UHFFFAOYSA-N 0 0 431.295 4.026 50 0 IIAARN CCOc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001072848 555622229 /nfs/dbraw/zinc/62/22/29/555622229.db2.gz NVFZMEMUJUAAOR-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN COc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001072968 555622266 /nfs/dbraw/zinc/62/22/66/555622266.db2.gz CZJQRXKPQSQJQX-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)c(C)c1C ZINC000001076831 555624657 /nfs/dbraw/zinc/62/46/57/555624657.db2.gz MTSSEXKOZFDHAT-UHFFFAOYSA-N 0 0 431.295 4.108 50 0 IIAARN O=C(CCCC(=O)Oc1ccccc1F)Nc1ccc(I)cc1 ZINC000001085175 555626628 /nfs/dbraw/zinc/62/66/28/555626628.db2.gz RGBRNXQOGSLAJG-UHFFFAOYSA-N 0 0 427.213 4.145 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001110611 555631397 /nfs/dbraw/zinc/63/13/97/555631397.db2.gz SWZGXGWNEMGVAM-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OCc1ccccc1Cl ZINC000001114100 555633432 /nfs/dbraw/zinc/63/34/32/555633432.db2.gz MFVJQXFDJCTTHT-LJQANCHMSA-N 0 0 430.888 4.119 50 0 IIAARN Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000001114599 555633638 /nfs/dbraw/zinc/63/36/38/555633638.db2.gz BGIRMRDFMSJDLK-UHFFFAOYSA-N 0 0 439.562 4.374 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001117550 555635246 /nfs/dbraw/zinc/63/52/46/555635246.db2.gz RVFZUYDIPKIKIY-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001124570 555639981 /nfs/dbraw/zinc/63/99/81/555639981.db2.gz DFVJRWFYWVKMBG-UHFFFAOYSA-N 0 0 441.258 4.271 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)OCc3cccc(C(=O)Oc4ccccc4)c3)CC2=O)cc1 ZINC000001124790 555640155 /nfs/dbraw/zinc/64/01/55/555640155.db2.gz BBKJRYGCKCPWSV-NRFANRHFSA-N 0 0 429.472 4.311 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)N1CCc2ccccc21 ZINC000001125164 555640170 /nfs/dbraw/zinc/64/01/70/555640170.db2.gz JYJJWRRDOKINQT-UHFFFAOYSA-N 0 0 441.556 4.321 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1 ZINC000001126099 555640793 /nfs/dbraw/zinc/64/07/93/555640793.db2.gz TYKDKWPZEJASHI-UHFFFAOYSA-N 0 0 446.475 4.198 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000001127030 555641639 /nfs/dbraw/zinc/64/16/39/555641639.db2.gz CEEIXDOKJWYXJU-UHFFFAOYSA-N 0 0 428.312 4.361 50 0 IIAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000001131086 555644524 /nfs/dbraw/zinc/64/45/24/555644524.db2.gz VQUXLLYVHKGQRO-UHFFFAOYSA-N 0 0 432.933 4.270 50 0 IIAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000001131784 555645067 /nfs/dbraw/zinc/64/50/67/555645067.db2.gz IINKJNZONOYPLP-ZDUSSCGKSA-N 0 0 425.539 4.296 50 0 IIAARN C[C@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001137200 555647447 /nfs/dbraw/zinc/64/74/47/555647447.db2.gz MUCRBPKDJNOEHC-MRXNPFEDSA-N 0 0 428.485 4.411 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cccc(Cl)c2)cc1 ZINC000001139440 555649118 /nfs/dbraw/zinc/64/91/18/555649118.db2.gz MIVRZCPSMTYLRB-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)c1 ZINC000001141563 555650333 /nfs/dbraw/zinc/65/03/33/555650333.db2.gz UJHGITAQKUUZJS-UHFFFAOYSA-N 0 0 447.516 4.145 50 0 IIAARN CCOC(=O)COc1ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C)oc2c1C ZINC000001143083 555651257 /nfs/dbraw/zinc/65/12/57/555651257.db2.gz MZXDYPAMKFPWPW-UHFFFAOYSA-N 0 0 434.448 4.330 50 0 IIAARN COc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1OC(C)C ZINC000001143666 555651709 /nfs/dbraw/zinc/65/17/09/555651709.db2.gz NTFYCRGLBOLPEE-GZTJUZNOSA-N 0 0 445.313 4.338 50 0 IIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccccc1Cl ZINC000001148275 555654735 /nfs/dbraw/zinc/65/47/35/555654735.db2.gz UBQJQBHVMWACHM-UHFFFAOYSA-N 0 0 428.941 4.236 50 0 IIAARN COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c(OC)c1 ZINC000001149511 555655533 /nfs/dbraw/zinc/65/55/33/555655533.db2.gz ZEAIPYYPWWNSHT-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN 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556362801 /nfs/dbraw/zinc/36/28/01/556362801.db2.gz XYETVRZGKJINPD-UHFFFAOYSA-N 0 0 438.549 4.069 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NC[C@@H](CO)Cc3ccsc3)c2oc1-c1ccccc1 ZINC000032803189 556365431 /nfs/dbraw/zinc/36/54/31/556365431.db2.gz DTACSXHUVUQURL-SFHVURJKSA-N 0 0 433.529 4.411 50 0 IIAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000014095414 556367175 /nfs/dbraw/zinc/36/71/75/556367175.db2.gz GQNDWKZMVVISPO-FQEVSTJZSA-N 0 0 436.533 4.496 50 0 IIAARN CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCC(Sc4ccc(F)cc4)CC3)cc2)c1 ZINC000011869160 556368459 /nfs/dbraw/zinc/36/84/59/556368459.db2.gz LZCNVGPIJFPCDN-UHFFFAOYSA-N 0 0 438.528 4.367 50 0 IIAARN COc1cc(CCC2CCN(C(=O)c3cc4c(C)nn(C)c4nc3C)CC2)cc(OC)c1 ZINC000032809056 556370166 /nfs/dbraw/zinc/37/01/66/556370166.db2.gz HKGDKOQTGIOHEX-UHFFFAOYSA-N 0 0 436.556 4.087 50 0 IIAARN COc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011878574 556371350 /nfs/dbraw/zinc/37/13/50/556371350.db2.gz LTYVTWHDBJYBDF-IBGZPJMESA-N 0 0 439.512 4.498 50 0 IIAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014123029 556372447 /nfs/dbraw/zinc/37/24/47/556372447.db2.gz CLWAWWDPNVYDRL-UHFFFAOYSA-N 0 0 449.359 4.293 50 0 IIAARN O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000014135522 556374766 /nfs/dbraw/zinc/37/47/66/556374766.db2.gz AUINKGJZMMKURY-QGZVFWFLSA-N 0 0 444.940 4.203 50 0 IIAARN O=C(CSc1ccc2ccccc2c1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000014135359 556374786 /nfs/dbraw/zinc/37/47/86/556374786.db2.gz YWDLQZUAXMAYRB-SFHVURJKSA-N 0 0 431.604 4.209 50 0 IIAARN COc1ccccc1OCCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000014134525 556374903 /nfs/dbraw/zinc/37/49/03/556374903.db2.gz XBLVEPWJHVMJFB-UHFFFAOYSA-N 0 0 425.485 4.352 50 0 IIAARN COc1cccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011911852 556375234 /nfs/dbraw/zinc/37/52/34/556375234.db2.gz ZMKKQFJWGFUNNE-SFHVURJKSA-N 0 0 429.476 4.212 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3c(=O)cc(C)n(C)c3Cc3ccccc3F)CC2)c1 ZINC000011913585 556375941 /nfs/dbraw/zinc/37/59/41/556375941.db2.gz FWTTVNIRAUFHJE-UHFFFAOYSA-N 0 0 447.554 4.003 50 0 IIAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O ZINC000014141468 556376697 /nfs/dbraw/zinc/37/66/97/556376697.db2.gz YNSRKAKNXKUGDD-VWLOTQADSA-N 0 0 447.491 4.280 50 0 IIAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1OCCc2ccccc21 ZINC000011965728 556381801 /nfs/dbraw/zinc/38/18/01/556381801.db2.gz QCXBMFQFPLBOQA-NAKRPHOHSA-N 0 0 442.559 4.242 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3F)C3CC3)CC2)cc1C ZINC000014196894 556388416 /nfs/dbraw/zinc/38/84/16/556388416.db2.gz HSBOKRGZBMCKQB-UHFFFAOYSA-N 0 0 444.572 4.034 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014197357 556388730 /nfs/dbraw/zinc/38/87/30/556388730.db2.gz CDIHHWWYMMMCJP-UHFFFAOYSA-N 0 0 446.370 4.432 50 0 IIAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)CCn2ccc(C)n2)C3)c1 ZINC000012035028 556389464 /nfs/dbraw/zinc/38/94/64/556389464.db2.gz 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COc1cccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000032581143 556404834 /nfs/dbraw/zinc/40/48/34/556404834.db2.gz RFBWZLXOMQEJLZ-HSZRJFAPSA-N 0 0 440.503 4.204 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4C)cc3)n2)cc1 ZINC000032578835 556405779 /nfs/dbraw/zinc/40/57/79/556405779.db2.gz VQXSOWGLXPCMQE-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC ZINC000032578804 556405806 /nfs/dbraw/zinc/40/58/06/556405806.db2.gz YKCSBUMGRZHYHW-OAHLLOKOSA-N 0 0 425.485 4.133 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCC(=O)c1cccs1 ZINC000014246288 556406365 /nfs/dbraw/zinc/40/63/65/556406365.db2.gz LEWAZPYKVGBNPQ-UHFFFAOYSA-N 0 0 432.851 4.480 50 0 IIAARN COc1ccc(-c2nc(CC(=O)NCCc3cc(Cl)c4c(c3)OCCO4)cs2)cc1 ZINC000014249223 556407965 /nfs/dbraw/zinc/40/79/65/556407965.db2.gz ALCCOHXJRZECNK-UHFFFAOYSA-N 0 0 444.940 4.145 50 0 IIAARN COc1ccccc1CC(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000014248951 556408035 /nfs/dbraw/zinc/40/80/35/556408035.db2.gz RSGPHSCNWYUONT-UHFFFAOYSA-N 0 0 426.494 4.131 50 0 IIAARN O=C(CSc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014250740 556408793 /nfs/dbraw/zinc/40/87/93/556408793.db2.gz ZJQLMNIJJUSLTF-UHFFFAOYSA-N 0 0 440.384 4.209 50 0 IIAARN CCOc1ccc([C@H](CNc2ncnc3sc(C)c(C)c32)N2CCOCC2)cc1OC ZINC000014251371 556408963 /nfs/dbraw/zinc/40/89/63/556408963.db2.gz ZTKWSYSANFVRFR-SFHVURJKSA-N 0 0 442.585 4.201 50 0 IIAARN COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)c1 ZINC000032622372 556409710 /nfs/dbraw/zinc/40/97/10/556409710.db2.gz QQJJDGUPMMXJBC-IBGZPJMESA-N 0 0 441.553 4.377 50 0 IIAARN O=C(Oc1ccc(Cl)cc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000032623360 556410473 /nfs/dbraw/zinc/41/04/73/556410473.db2.gz QNQQQCMZVWDAOM-UHFFFAOYSA-N 0 0 441.267 4.116 50 0 IIAARN COCc1c(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)sc2cccc(F)c21 ZINC000032820909 556412429 /nfs/dbraw/zinc/41/24/29/556412429.db2.gz SENNXOWMZLHKRD-UHFFFAOYSA-N 0 0 442.512 4.383 50 0 IIAARN COc1cc(OC)c(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1OC ZINC000004384545 556413370 /nfs/dbraw/zinc/41/33/70/556413370.db2.gz PNEXPNDXGZRGMW-UHFFFAOYSA-N 0 0 425.485 4.122 50 0 IIAARN CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000032676271 556415890 /nfs/dbraw/zinc/41/58/90/556415890.db2.gz DVICZTUAENVBLY-NRFANRHFSA-N 0 0 432.973 4.274 50 0 IIAARN CN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1CCCc2ccccc21 ZINC000032676247 556416017 /nfs/dbraw/zinc/41/60/17/556416017.db2.gz GDVVDBUCEFEJDI-QHCPKHFHSA-N 0 0 425.488 4.027 50 0 IIAARN COc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O ZINC000012942042 556417109 /nfs/dbraw/zinc/41/71/09/556417109.db2.gz VRBYNBCUUPVUPJ-IAGOWNOFSA-N 0 0 435.549 4.064 50 0 IIAARN Cc1cccc(OCCCNC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)c1 ZINC000032837004 556418575 /nfs/dbraw/zinc/41/85/75/556418575.db2.gz QIUCFOXUCNGXMA-HXUWFJFHSA-N 0 0 447.373 4.097 50 0 IIAARN CCn1c(S[C@H](C)C(=O)NCc2ccccc2OC)nnc1-c1cccc(Cl)c1 ZINC000012974313 556420247 /nfs/dbraw/zinc/42/02/47/556420247.db2.gz LRVNSMUNQMFDHU-CQSZACIVSA-N 0 0 430.961 4.424 50 0 IIAARN COc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)n2)c1 ZINC000012976127 556421980 /nfs/dbraw/zinc/42/19/80/556421980.db2.gz BHWKRCQWSLYZGK-UHFFFAOYSA-N 0 0 434.452 4.371 50 0 IIAARN COc1ccc2cc(CN(C)C(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2c1 ZINC000012976750 556422177 /nfs/dbraw/zinc/42/21/77/556422177.db2.gz RSZDPAJQSSKWGI-UHFFFAOYSA-N 0 0 446.956 4.024 50 0 IIAARN COc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(C)cc2)cc1NC(C)=O ZINC000012977612 556422435 /nfs/dbraw/zinc/42/24/35/556422435.db2.gz KIUVLUZNHJWBGB-NRFANRHFSA-N 0 0 430.551 4.091 50 0 IIAARN COc1ccc(-c2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)n2N)c(OC)c1 ZINC000012980029 556423912 /nfs/dbraw/zinc/42/39/12/556423912.db2.gz LPKSQUSZAKYIKX-UHFFFAOYSA-N 0 0 443.916 4.277 50 0 IIAARN CC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)C1CCC1)c(C(=O)OC)n2CCc1ccccn1 ZINC000014541156 556425570 /nfs/dbraw/zinc/42/55/70/556425570.db2.gz HHEXYQHNFHWLPO-MRXNPFEDSA-N 0 0 449.555 4.410 50 0 IIAARN O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012985158 556426237 /nfs/dbraw/zinc/42/62/37/556426237.db2.gz WNSNVUQJEPBHFL-MRXNPFEDSA-N 0 0 438.343 4.136 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000012995457 556430729 /nfs/dbraw/zinc/43/07/29/556430729.db2.gz UIEOFDNORJXPAI-UHFFFAOYSA-N 0 0 436.599 4.268 50 0 IIAARN CCCc1cc(=O)oc2cc(OC(=O)CCn3c(=O)oc4cc(Cl)ccc43)ccc12 ZINC000014643654 556431169 /nfs/dbraw/zinc/43/11/69/556431169.db2.gz BVQFHDRONYDWNS-UHFFFAOYSA-N 0 0 427.840 4.303 50 0 IIAARN O=c1c(Cl)c(N2CCN(Cc3csc4ccccc34)CC2)cnn1-c1ccccc1 ZINC000032853507 556431804 /nfs/dbraw/zinc/43/18/04/556431804.db2.gz ZDMBXFJMTYTLOT-UHFFFAOYSA-N 0 0 436.968 4.423 50 0 IIAARN C[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000032854176 556432222 /nfs/dbraw/zinc/43/22/22/556432222.db2.gz ONUYRBVTEODKBJ-NEPJUHHUSA-N 0 0 430.484 4.297 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC(c4nnc5ccccn54)CC3)c12 ZINC000032856111 556433565 /nfs/dbraw/zinc/43/35/65/556433565.db2.gz YRTJNBNHOOQISW-UHFFFAOYSA-N 0 0 444.520 4.322 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c12 ZINC000032856104 556433616 /nfs/dbraw/zinc/43/36/16/556433616.db2.gz OCPVCWQZMARJPZ-CYBMUJFWSA-N 0 0 430.493 4.331 50 0 IIAARN Cc1sc2nc([C@H](C)N3CCN(C(=O)c4cccc5ccccc54)CC3)[nH]c(=O)c2c1C ZINC000027893658 556434954 /nfs/dbraw/zinc/43/49/54/556434954.db2.gz ARSGLAYQVZOFNC-INIZCTEOSA-N 0 0 446.576 4.274 50 0 IIAARN CCc1cccc(OC[C@@H](O)Cn2cnc3cc(-c4ccc(OC)cc4)sc3c2=O)c1 ZINC000013013841 556436729 /nfs/dbraw/zinc/43/67/29/556436729.db2.gz FJFPASVRFOVMAE-SFHVURJKSA-N 0 0 436.533 4.136 50 0 IIAARN COc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccncc2)c1 ZINC000028047387 556442517 /nfs/dbraw/zinc/44/25/17/556442517.db2.gz OPANHBGWVLJFSD-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)N(c2ccc(C)cc2)N1 ZINC000013038475 556444435 /nfs/dbraw/zinc/44/44/35/556444435.db2.gz NJCWBUDKCLYTBO-DNQXCXABSA-N 0 0 436.515 4.115 50 0 IIAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1OC ZINC000032957841 556445255 /nfs/dbraw/zinc/44/52/55/556445255.db2.gz ZYTHWTGYLSTJMJ-UHFFFAOYSA-N 0 0 448.566 4.047 50 0 IIAARN Cc1nn(C)c2sc(C(=O)OCc3csc(CC(=O)Nc4ccccc4C)n3)cc12 ZINC000014804815 556446915 /nfs/dbraw/zinc/44/69/15/556446915.db2.gz KFLKHSHHXZXLIN-UHFFFAOYSA-N 0 0 440.550 4.246 50 0 IIAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000013040903 556446929 /nfs/dbraw/zinc/44/69/29/556446929.db2.gz NIBUBQBUUHLKIX-UHFFFAOYSA-N 0 0 427.508 4.037 50 0 IIAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000013041060 556447250 /nfs/dbraw/zinc/44/72/50/556447250.db2.gz WESPRROZUOELHW-SFHVURJKSA-N 0 0 442.606 4.272 50 0 IIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000032868884 556449608 /nfs/dbraw/zinc/44/96/08/556449608.db2.gz DIHUUPJXDVVNKM-UHFFFAOYSA-N 0 0 439.537 4.011 50 0 IIAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1cccnc1Cl ZINC000013058743 556449889 /nfs/dbraw/zinc/44/98/89/556449889.db2.gz FOMYPIUZPHJHIS-AGUYFDCRSA-N 0 0 426.991 4.219 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000014852254 556450175 /nfs/dbraw/zinc/45/01/75/556450175.db2.gz OOVXQKPCTDQQGN-UHFFFAOYSA-N 0 0 429.473 4.389 50 0 IIAARN Cc1ccc(NC(=O)CN(C)Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000013063287 556451722 /nfs/dbraw/zinc/45/17/22/556451722.db2.gz TTZDHWZDPKLYNR-UHFFFAOYSA-N 0 0 436.581 4.320 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000028323990 556452345 /nfs/dbraw/zinc/45/23/45/556452345.db2.gz IDIJLJRSMSLDCJ-JOCHJYFZSA-N 0 0 430.460 4.062 50 0 IIAARN NC(=O)[C@H]1CCCCN1Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013071557 556453849 /nfs/dbraw/zinc/45/38/49/556453849.db2.gz DQBJYTQWSMGEDM-GOSISDBHSA-N 0 0 427.961 4.021 50 0 IIAARN NC(=O)[C@@H]1CCCCN1Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013071555 556453866 /nfs/dbraw/zinc/45/38/66/556453866.db2.gz DQBJYTQWSMGEDM-SFHVURJKSA-N 0 0 427.961 4.021 50 0 IIAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000014881374 556453908 /nfs/dbraw/zinc/45/39/08/556453908.db2.gz YSTLRBHYAJLRBU-LJQANCHMSA-N 0 0 444.564 4.075 50 0 IIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(OC)cc1OC)C2=O ZINC000013074016 556454557 /nfs/dbraw/zinc/45/45/57/556454557.db2.gz TWISMINNELYHQG-UHFFFAOYSA-N 0 0 431.577 4.010 50 0 IIAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000013074962 556455348 /nfs/dbraw/zinc/45/53/48/556455348.db2.gz KTRJDIOHXFGCGK-UHFFFAOYSA-N 0 0 428.488 4.247 50 0 IIAARN O=C(c1cccs1)N1CCC[C@H]1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000013076327 556455986 /nfs/dbraw/zinc/45/59/86/556455986.db2.gz YXGBFQYWAXQCTL-SFHVURJKSA-N 0 0 426.538 4.053 50 0 IIAARN CCOc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc(Br)c1OC ZINC000032869250 556457243 /nfs/dbraw/zinc/45/72/43/556457243.db2.gz NZQGMQZVHOKIHO-UHFFFAOYSA-N 0 0 433.302 4.001 50 0 IIAARN CCCCN(C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)[C@H](C)CC ZINC000013096842 556457636 /nfs/dbraw/zinc/45/76/36/556457636.db2.gz RKLKDTYBDWXPKY-FQRUVTKNSA-N 0 0 435.568 4.104 50 0 IIAARN O=C(CNC(=O)NCCc1ccc(Cl)cc1Cl)Nc1ccccc1Br ZINC000032869846 556457983 /nfs/dbraw/zinc/45/79/83/556457983.db2.gz VMMPXOVAIDGOID-UHFFFAOYSA-N 0 0 445.144 4.236 50 0 IIAARN O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000014951316 556460739 /nfs/dbraw/zinc/46/07/39/556460739.db2.gz LUDZUGODXGIYTN-NRFANRHFSA-N 0 0 436.462 4.085 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)cc12 ZINC000013109687 556463319 /nfs/dbraw/zinc/46/33/19/556463319.db2.gz KIMGWAXFCCMMAO-UHFFFAOYSA-N 0 0 448.479 4.208 50 0 IIAARN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000013110020 556463938 /nfs/dbraw/zinc/46/39/38/556463938.db2.gz ZSNMBFIEZGRLPS-CYBMUJFWSA-N 0 0 444.372 4.198 50 0 IIAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000029068869 556466242 /nfs/dbraw/zinc/46/62/42/556466242.db2.gz GPBGXFIBKABAFE-HSZRJFAPSA-N 0 0 430.556 4.201 50 0 IIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000029077472 556467196 /nfs/dbraw/zinc/46/71/96/556467196.db2.gz HZXJNRHBLYKUJL-GOSISDBHSA-N 0 0 433.537 4.359 50 0 IIAARN COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013114870 556467621 /nfs/dbraw/zinc/46/76/21/556467621.db2.gz PTQBYEDGNXGMCF-UONOGXRCSA-N 0 0 438.355 4.138 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)c(OC)c1 ZINC000013116396 556468994 /nfs/dbraw/zinc/46/89/94/556468994.db2.gz KDUUAWJFGCNFLW-LCUIJRPUSA-N 0 0 434.448 4.214 50 0 IIAARN O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 ZINC000029203658 556469838 /nfs/dbraw/zinc/46/98/38/556469838.db2.gz OANMYRICIHNOIJ-OAQYLSRUSA-N 0 0 436.581 4.299 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)c2c(=O)[nH]c(SCC(C)C)nc2N1 ZINC000013120176 556472222 /nfs/dbraw/zinc/47/22/22/556472222.db2.gz AWVJNFPFVASLHO-KRWDZBQOSA-N 0 0 431.533 4.440 50 0 IIAARN COc1ccc(OC)c(C(=O)COC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 ZINC000011045638 556472413 /nfs/dbraw/zinc/47/24/13/556472413.db2.gz QWUPVKOBLVORHP-UHFFFAOYSA-N 0 0 449.463 4.329 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)c1ccc(Cn3nnc4ccccc43)cc1)O[C@H](C)C2 ZINC000013120799 556473023 /nfs/dbraw/zinc/47/30/23/556473023.db2.gz GGUONEOKVLQVGD-QGZVFWFLSA-N 0 0 442.519 4.132 50 0 IIAARN C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)N1CCNC1=O ZINC000013121082 556473582 /nfs/dbraw/zinc/47/35/82/556473582.db2.gz PHJQRGJUNIGBKA-CYBMUJFWSA-N 0 0 441.538 4.106 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)o2)cc1C ZINC000013121481 556474442 /nfs/dbraw/zinc/47/44/42/556474442.db2.gz SUHYPXIXIQTCHC-OAHLLOKOSA-N 0 0 425.510 4.094 50 0 IIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000013124026 556474900 /nfs/dbraw/zinc/47/49/00/556474900.db2.gz MAZBGIXMIDUEJD-RTBURBONSA-N 0 0 446.477 4.166 50 0 IIAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1nc(-c2ccccc2)cs1 ZINC000014993122 556476186 /nfs/dbraw/zinc/47/61/86/556476186.db2.gz FGYGVQBTEPXMAQ-QFIPXVFZSA-N 0 0 425.579 4.160 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2c2cccn2C)cc1 ZINC000013128037 556477163 /nfs/dbraw/zinc/47/71/63/556477163.db2.gz XDSYHFXTYXXCQK-QHCPKHFHSA-N 0 0 432.524 4.062 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029634214 556479434 /nfs/dbraw/zinc/47/94/34/556479434.db2.gz ZATITVZFUJWUDH-QFIPXVFZSA-N 0 0 443.469 4.318 50 0 IIAARN CCOCCCNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000015006241 556481910 /nfs/dbraw/zinc/48/19/10/556481910.db2.gz KITAIZOPYCQAJU-UHFFFAOYSA-N 0 0 437.569 4.292 50 0 IIAARN Cc1cccc(C)c1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000013141684 556486990 /nfs/dbraw/zinc/48/69/90/556486990.db2.gz IPAZGNCCXALPOZ-UHFFFAOYSA-N 0 0 426.476 4.347 50 0 IIAARN O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Br)cc1F ZINC000013145288 556487525 /nfs/dbraw/zinc/48/75/25/556487525.db2.gz VPVGNPCNNRNGPP-UHFFFAOYSA-N 0 0 445.082 4.075 50 0 IIAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000029977217 556487846 /nfs/dbraw/zinc/48/78/46/556487846.db2.gz BYHFIVRXERXJJM-UHFFFAOYSA-N 0 0 443.551 4.039 50 0 IIAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000032876522 556488813 /nfs/dbraw/zinc/48/88/13/556488813.db2.gz DJHKAVMVYGHPAP-UHFFFAOYSA-N 0 0 440.887 4.304 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2ncccc21 ZINC000032871984 556489802 /nfs/dbraw/zinc/48/98/02/556489802.db2.gz IZRKBQJELIVNGE-UHFFFAOYSA-N 0 0 439.537 4.060 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H](c1cccs1)c1ccccc1 ZINC000030127856 556491062 /nfs/dbraw/zinc/49/10/62/556491062.db2.gz LCSKMGJKGKHQJL-OAQYLSRUSA-N 0 0 446.619 4.042 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc12 ZINC000013163778 556494482 /nfs/dbraw/zinc/49/44/82/556494482.db2.gz OTJNXQNZRVNFJB-QGZVFWFLSA-N 0 0 437.496 4.447 50 0 IIAARN CC1(C)C[C@H](C(=O)N2CCC[C@@H]3CN(C(=O)CCCc4ccccc4)CC[C@@H]32)CCO1 ZINC000015068802 556494545 /nfs/dbraw/zinc/49/45/45/556494545.db2.gz SMUFCHUQYCIZNG-ZLNRFVROSA-N 0 0 426.601 4.054 50 0 IIAARN Cc1cccc(-n2nnnc2SCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1C ZINC000013163951 556495112 /nfs/dbraw/zinc/49/51/12/556495112.db2.gz WSCKEBISOWIFMV-OAQYLSRUSA-N 0 0 435.578 4.339 50 0 IIAARN Cn1c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)nnc1SCc1ccccn1 ZINC000015072017 556496721 /nfs/dbraw/zinc/49/67/21/556496721.db2.gz HEJIMJZMZPNTAQ-UHFFFAOYSA-N 0 0 447.539 4.281 50 0 IIAARN CCCCCn1nc(C(=O)OCC(=O)c2cc(C)n(CCC)c2C)c2ccccc2c1=O ZINC000013164626 556496828 /nfs/dbraw/zinc/49/68/28/556496828.db2.gz GARKSWFTDWZAHS-UHFFFAOYSA-N 0 0 437.540 4.455 50 0 IIAARN Cc1c(C(=O)Nc2ccnn2Cc2cccc(C)c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000030527900 556496921 /nfs/dbraw/zinc/49/69/21/556496921.db2.gz MDTYBPSUGQUDCV-UHFFFAOYSA-N 0 0 447.564 4.298 50 0 IIAARN CCN(C(=O)[C@H](C)Sc1nnnn1Cc1ccc(OC)cc1)c1cccc2ccccc21 ZINC000013164682 556497109 /nfs/dbraw/zinc/49/71/09/556497109.db2.gz XKLGOCPNUCKISG-KRWDZBQOSA-N 0 0 447.564 4.417 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164932 556497667 /nfs/dbraw/zinc/49/76/67/556497667.db2.gz SUUJLNXKCBDEGF-UHFFFAOYSA-N 0 0 436.537 4.014 50 0 IIAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000013165009 556497673 /nfs/dbraw/zinc/49/76/73/556497673.db2.gz HITLRAXMDWNHRD-RTBURBONSA-N 0 0 431.517 4.243 50 0 IIAARN COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000015084558 556501927 /nfs/dbraw/zinc/50/19/27/556501927.db2.gz DFDZOFVZGRDIIP-OAHLLOKOSA-N 0 0 449.507 4.476 50 0 IIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000013303169 556501971 /nfs/dbraw/zinc/50/19/71/556501971.db2.gz HYPWKTXERRMWKD-DEOSSOPVSA-N 0 0 446.503 4.236 50 0 IIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000013303173 556501986 /nfs/dbraw/zinc/50/19/86/556501986.db2.gz HYPWKTXERRMWKD-XMMPIXPASA-N 0 0 446.503 4.236 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1 ZINC000032714650 556503104 /nfs/dbraw/zinc/50/31/04/556503104.db2.gz KPBJJOLPKBJYQH-SFHVURJKSA-N 0 0 430.570 4.166 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000015095718 556503182 /nfs/dbraw/zinc/50/31/82/556503182.db2.gz PEOBCNBVFKBXEX-KRWDZBQOSA-N 0 0 431.496 4.284 50 0 IIAARN c1csc(-c2nnc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)n2C2CC2)c1 ZINC000030795677 556506198 /nfs/dbraw/zinc/50/61/98/556506198.db2.gz VLMCUEBDVYZREB-AWEZNQCLSA-N 0 0 439.595 4.434 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000032716931 556506596 /nfs/dbraw/zinc/50/65/96/556506596.db2.gz XSSKAJRVHVGZFX-UHFFFAOYSA-N 0 0 438.487 4.106 50 0 IIAARN CC(C)CC(=O)N[C@@H](NC(=S)Nc1cccc2cccnc21)C(Cl)(Cl)Cl ZINC000013478380 556507966 /nfs/dbraw/zinc/50/79/66/556507966.db2.gz BVTNRBKKRGUAPD-HNNXBMFYSA-N 0 0 433.792 4.380 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000013496736 556509123 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ZINC000016678024 556622886 /nfs/dbraw/zinc/62/28/86/556622886.db2.gz BUTNZUUWLJVFFU-LJQANCHMSA-N 0 0 432.528 4.004 50 0 IIAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000039421435 556628774 /nfs/dbraw/zinc/62/87/74/556628774.db2.gz LMPNTBYTXAMTNI-FQEVSTJZSA-N 0 0 429.442 4.212 50 0 IIAARN CCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCc2ccccc2)cc1OCC ZINC000016733828 556632375 /nfs/dbraw/zinc/63/23/75/556632375.db2.gz KCFDJTOJWONXMZ-OAQYLSRUSA-N 0 0 426.538 4.020 50 0 IIAARN CCCCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 ZINC000016736631 556633587 /nfs/dbraw/zinc/63/35/87/556633587.db2.gz AXODWFGNEHVRKW-JCMHNJIXSA-N 0 0 445.544 4.362 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016737439 556633967 /nfs/dbraw/zinc/63/39/67/556633967.db2.gz IRBUWUCUYDHDAG-OAQYLSRUSA-N 0 0 426.428 4.033 50 0 IIAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1C ZINC000016742081 556636068 /nfs/dbraw/zinc/63/60/68/556636068.db2.gz JUTKBWGHHMFKOX-SFHVURJKSA-N 0 0 432.457 4.216 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OCC ZINC000016750430 556637095 /nfs/dbraw/zinc/63/70/95/556637095.db2.gz USBCCCCJLLSSHR-UZUQRXQVSA-N 0 0 449.503 4.315 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn3cccnc13)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414106 556639443 /nfs/dbraw/zinc/63/94/43/556639443.db2.gz OAQMXWJSHVSKJO-HXUWFJFHSA-N 0 0 426.480 4.115 50 0 IIAARN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000016763532 556639824 /nfs/dbraw/zinc/63/98/24/556639824.db2.gz QGBHASXPRAIQND-GFCCVEGCSA-N 0 0 437.550 4.189 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000409415023 556641590 /nfs/dbraw/zinc/64/15/90/556641590.db2.gz RKNUQMXTFRAWBQ-QFIPXVFZSA-N 0 0 438.524 4.047 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000016780980 556641722 /nfs/dbraw/zinc/64/17/22/556641722.db2.gz MUKDJQHPDUGPOM-UHFFFAOYSA-N 0 0 438.940 4.129 50 0 IIAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccc2c(c1)OCO2 ZINC000016806386 556644168 /nfs/dbraw/zinc/64/41/68/556644168.db2.gz MFBUMLQWWQANLG-UHFFFAOYSA-N 0 0 444.424 4.498 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037555740 556644351 /nfs/dbraw/zinc/64/43/51/556644351.db2.gz KHSHZHTZKUWAGU-SAPNQHFASA-N 0 0 428.532 4.238 50 0 IIAARN CN(Cc1ccc(Cl)cc1)Cn1nc(N2CCOCC2)n(Cc2ccccc2)c1=S ZINC000016842340 556646410 /nfs/dbraw/zinc/64/64/10/556646410.db2.gz CKWLZIXAFVWEFS-UHFFFAOYSA-N 0 0 444.004 4.042 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 ZINC000011726579 556647475 /nfs/dbraw/zinc/64/74/75/556647475.db2.gz DBAKXOFNSDQXCE-INIZCTEOSA-N 0 0 437.590 4.368 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1C ZINC000038486973 556647609 /nfs/dbraw/zinc/64/76/09/556647609.db2.gz MFVZMHBLCTWZLZ-UHFFFAOYSA-N 0 0 428.521 4.392 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 ZINC000038486975 556647616 /nfs/dbraw/zinc/64/76/16/556647616.db2.gz YSIFVHWRMUDORW-UHFFFAOYSA-N 0 0 428.521 4.392 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c1 ZINC000016890532 556648190 /nfs/dbraw/zinc/64/81/90/556648190.db2.gz YUYRGTHACYEPKM-NRFANRHFSA-N 0 0 435.505 4.447 50 0 IIAARN Cc1ccc(C)c(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903648 556648757 /nfs/dbraw/zinc/64/87/57/556648757.db2.gz NVUQXGZDKFTPTA-VQTJNVASSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902984 556648798 /nfs/dbraw/zinc/64/87/98/556648798.db2.gz VYAGGHSMRAPDJO-IRLDBZIGSA-N 0 0 441.531 4.305 50 0 IIAARN COc1ccc(-c2nc(CCNS(=O)(=O)c3cc(C)c(C)cc3C)cs2)cc1OC ZINC000011758716 556651967 /nfs/dbraw/zinc/65/19/67/556651967.db2.gz HUXFCZGWIWASFI-UHFFFAOYSA-N 0 0 446.594 4.274 50 0 IIAARN COc1cccc(CNC(=O)c2c(C)sc3ccn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000097939255 556652079 /nfs/dbraw/zinc/65/20/79/556652079.db2.gz URAPACGAMHZDQF-UHFFFAOYSA-N 0 0 436.508 4.497 50 0 IIAARN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000017028972 556653854 /nfs/dbraw/zinc/65/38/54/556653854.db2.gz ITSCQCNNKPDZBV-OPJGWUQDSA-N 0 0 425.525 4.221 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000038654062 556653917 /nfs/dbraw/zinc/65/39/17/556653917.db2.gz OHINONRIZMXNIO-UHFFFAOYSA-N 0 0 438.553 4.142 50 0 IIAARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Br)c3)n2)cc1OC ZINC000033000162 556653973 /nfs/dbraw/zinc/65/39/73/556653973.db2.gz JOZYOURSPZHYAE-UHFFFAOYSA-N 0 0 446.301 4.478 50 0 IIAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Br)cc3)n2)cc1OC ZINC000033000104 556653977 /nfs/dbraw/zinc/65/39/77/556653977.db2.gz HTXMZKUBKKQEDL-UHFFFAOYSA-N 0 0 446.301 4.478 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000017044099 556654076 /nfs/dbraw/zinc/65/40/76/556654076.db2.gz SGIINYSMUVKQCK-UHFFFAOYSA-N 0 0 445.441 4.154 50 0 IIAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)csc2n1 ZINC000011768224 556654717 /nfs/dbraw/zinc/65/47/17/556654717.db2.gz JEJVPFURULOSPQ-UHFFFAOYSA-N 0 0 425.897 4.402 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)N[C@H](C)Cc3ccco3)c2=O)cc1 ZINC000033006819 556655658 /nfs/dbraw/zinc/65/56/58/556655658.db2.gz NQLWMNBIJLCZKT-GOSISDBHSA-N 0 0 447.560 4.186 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2OC)s1 ZINC000033007870 556656803 /nfs/dbraw/zinc/65/68/03/556656803.db2.gz RUIHRBPGHQULOC-UHFFFAOYSA-N 0 0 433.555 4.379 50 0 IIAARN CCCc1ccc(S(=O)(=O)Nc2cc3sc(NC(=O)CC)nc3c(OC)c2)cc1 ZINC000033007866 556656874 /nfs/dbraw/zinc/65/68/74/556656874.db2.gz GFRGURGPVSAUHA-UHFFFAOYSA-N 0 0 433.555 4.407 50 0 IIAARN COc1cccc(NC(=O)COc2ccc(-c3noc(-c4ccccc4)n3)cc2OC)c1 ZINC000033013050 556662398 /nfs/dbraw/zinc/66/23/98/556662398.db2.gz ZBXIETCGWSFFMF-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=S)N1CCN(c2cccc(O)c2)CC1 ZINC000017098607 556663475 /nfs/dbraw/zinc/66/34/75/556663475.db2.gz RYSLWUFEGUFCOK-UHFFFAOYSA-N 0 0 433.599 4.020 50 0 IIAARN Cc1ccc(S(=O)(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(Cl)cc2)cc1 ZINC000033014216 556664316 /nfs/dbraw/zinc/66/43/16/556664316.db2.gz RQAPKKNDTQXPFK-UHFFFAOYSA-N 0 0 441.944 4.098 50 0 IIAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccc(OC)cc1 ZINC000248123046 556667733 /nfs/dbraw/zinc/66/77/33/556667733.db2.gz VUKJUXULYGNOIB-VGSWGCGISA-N 0 0 430.570 4.139 50 0 IIAARN CCCCOc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)no2)cc1 ZINC000044417929 556669545 /nfs/dbraw/zinc/66/95/45/556669545.db2.gz LDRQSYXZFYPOHV-KRWDZBQOSA-N 0 0 437.496 4.453 50 0 IIAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)Nc1ccc(Br)cc1F ZINC000017201094 556673189 /nfs/dbraw/zinc/67/31/89/556673189.db2.gz UTPBJEQDVISCMW-UHFFFAOYSA-N 0 0 432.274 4.152 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 ZINC000011914304 556673897 /nfs/dbraw/zinc/67/38/97/556673897.db2.gz RTDMGFJCPUPJTO-UHFFFAOYSA-N 0 0 427.478 4.411 50 0 IIAARN Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 ZINC000032933170 556676359 /nfs/dbraw/zinc/67/63/59/556676359.db2.gz LJGBRUHARKVXBJ-UHFFFAOYSA-N 0 0 435.959 4.009 50 0 IIAARN CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C)cc2)C3)cs1 ZINC000011964185 556677512 /nfs/dbraw/zinc/67/75/12/556677512.db2.gz PWCIPMZTHFFUDG-UHFFFAOYSA-N 0 0 447.560 4.091 50 0 IIAARN CC(C)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011997110 556679035 /nfs/dbraw/zinc/67/90/35/556679035.db2.gz FDVZPFLOZYPCDN-GFCCVEGCSA-N 0 0 449.882 4.291 50 0 IIAARN Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000017721200 556679108 /nfs/dbraw/zinc/67/91/08/556679108.db2.gz BLAQRRMQWNRFKY-UHFFFAOYSA-N 0 0 434.521 4.305 50 0 IIAARN CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011997108 556679099 /nfs/dbraw/zinc/67/90/99/556679099.db2.gz FXUJDEFGFRLUEA-LBPRGKRZSA-N 0 0 449.882 4.291 50 0 IIAARN CC(C)Oc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325461 556679660 /nfs/dbraw/zinc/67/96/60/556679660.db2.gz QYRVWCRAUBCLGG-MRXNPFEDSA-N 0 0 445.566 4.011 50 0 IIAARN CC[C@H](C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 ZINC000012007878 556680764 /nfs/dbraw/zinc/68/07/64/556680764.db2.gz MATZSLPDWLEJKY-KRWDZBQOSA-N 0 0 431.496 4.471 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000017987428 556680921 /nfs/dbraw/zinc/68/09/21/556680921.db2.gz AIWGOEJULZBORK-ROUUACIJSA-N 0 0 428.282 4.348 50 0 IIAARN CCSc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1 ZINC000012008473 556680985 /nfs/dbraw/zinc/68/09/85/556680985.db2.gz QGBHJXUPXJTUNG-UHFFFAOYSA-N 0 0 435.509 4.197 50 0 IIAARN CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000238937270 556682241 /nfs/dbraw/zinc/68/22/41/556682241.db2.gz UVNDARASZBRXGJ-ZTEVPRNISA-N 0 0 441.568 4.365 50 0 biogenic IIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109880890 556685391 /nfs/dbraw/zinc/68/53/91/556685391.db2.gz ZKWTUIDOCNHRCV-BEFAXECRSA-N 0 0 445.357 4.248 50 0 IIAARN O=C1C[C@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018180814 556685849 /nfs/dbraw/zinc/68/58/49/556685849.db2.gz KLMLSJGHXCBOAO-SFHVURJKSA-N 0 0 425.941 4.461 50 0 IIAARN CN(C)c1ccc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000018181301 556686105 /nfs/dbraw/zinc/68/61/05/556686105.db2.gz WBVMMPGJAPZFDD-UHFFFAOYSA-N 0 0 443.926 4.339 50 0 IIAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018189334 556686180 /nfs/dbraw/zinc/68/61/80/556686180.db2.gz YFELSOUSQYROKN-UHFFFAOYSA-N 0 0 434.245 4.135 50 0 IIAARN FC(F)(F)c1cc(Br)c(I)c(Br)n1 ZINC000047218589 556695095 /nfs/dbraw/zinc/69/50/95/556695095.db2.gz LARRKHJCYVFEOT-UHFFFAOYSA-N 0 0 430.787 4.230 50 0 IIAARN Cc1nc(-c2ccc(CCNC(=O)CCN3C(=O)CSc4ccccc43)s2)cs1 ZINC000024239029 556695827 /nfs/dbraw/zinc/69/58/27/556695827.db2.gz BLUISNPBLMMKSD-UHFFFAOYSA-N 0 0 443.619 4.368 50 0 IIAARN O=C(COc1ccccc1F)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026130 556702254 /nfs/dbraw/zinc/70/22/54/556702254.db2.gz IZAZGQRXDJOHPP-UHFFFAOYSA-N 0 0 435.480 4.143 50 0 IIAARN Cc1ccccc1S(=O)(=O)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026336 556703313 /nfs/dbraw/zinc/70/33/13/556703313.db2.gz LFCUCONDZVJMCD-UHFFFAOYSA-N 0 0 437.546 4.096 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc4nccnc43)C2)cc1 ZINC000072314640 556704116 /nfs/dbraw/zinc/70/41/16/556704116.db2.gz OAIGKZMCYQWYFA-QHCPKHFHSA-N 0 0 444.516 4.178 50 0 IIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2cccc3nccnc32)cc1 ZINC000072314757 556705120 /nfs/dbraw/zinc/70/51/20/556705120.db2.gz CHQFPBBSULHDCW-HSZRJFAPSA-N 0 0 428.517 4.478 50 0 IIAARN O=S(=O)(Cc1ccc(Br)cc1F)N[C@@H]1CCSc2ccc(F)cc21 ZINC000072318874 556709238 /nfs/dbraw/zinc/70/92/38/556709238.db2.gz XHXRNQQCKUUQCD-OAHLLOKOSA-N 0 0 434.327 4.384 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031696 556711364 /nfs/dbraw/zinc/71/13/64/556711364.db2.gz LPIMLRMWIJMTDX-UHFFFAOYSA-N 0 0 427.863 4.474 50 0 IIAARN Cc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)cc1C(F)(F)F ZINC000060342508 556712898 /nfs/dbraw/zinc/71/28/98/556712898.db2.gz XSDOSYLSUHXCMI-UHFFFAOYSA-N 0 0 432.377 4.125 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033032325 556712900 /nfs/dbraw/zinc/71/29/00/556712900.db2.gz MJHOKSINVPEPCI-UHFFFAOYSA-N 0 0 440.500 4.135 50 0 IIAARN CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)c(Cl)ccc3OC)cc1C ZINC000013703661 556713810 /nfs/dbraw/zinc/71/38/10/556713810.db2.gz SYPHWTJSFNAHCO-ZDUSSCGKSA-N 0 0 434.949 4.309 50 0 IIAARN COc1ccc(CCN(C)C(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1OC ZINC000011135683 556719290 /nfs/dbraw/zinc/71/92/90/556719290.db2.gz GFFBOLGURVSZME-UHFFFAOYSA-N 0 0 445.610 4.427 50 0 IIAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000072330962 556728682 /nfs/dbraw/zinc/72/86/82/556728682.db2.gz DQTAQSWYVTYBMS-UHFFFAOYSA-N 0 0 425.403 4.227 50 0 IIAARN CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CCN(Cc2ccccc2)CC1 ZINC000055010010 556732405 /nfs/dbraw/zinc/73/24/05/556732405.db2.gz GVZMIWSPUPJHFD-UHFFFAOYSA-N 0 0 432.593 4.494 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc(C(C)C)nc3ccccc31)CC2 ZINC000019355919 556745166 /nfs/dbraw/zinc/74/51/66/556745166.db2.gz XZYIKVGRJYWJHI-UHFFFAOYSA-N 0 0 448.519 4.117 50 0 IIAARN O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000019357106 556745454 /nfs/dbraw/zinc/74/54/54/556745454.db2.gz DEXSZXSPWFHGJF-UHFFFAOYSA-N 0 0 428.803 4.016 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccc(F)cc1F ZINC000033048971 556746158 /nfs/dbraw/zinc/74/61/58/556746158.db2.gz YEZYMNYXHZOMKB-UHFFFAOYSA-N 0 0 439.849 4.312 50 0 IIAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000206244445 556748963 /nfs/dbraw/zinc/74/89/63/556748963.db2.gz VPTGZNHLFTXTQN-OAQYLSRUSA-N 0 0 449.580 4.423 50 0 IIAARN COc1cc2ncn(CCCC(=O)N(c3cc(C)ccc3C)C(C)C)c(=O)c2cc1OC ZINC000060368661 556748966 /nfs/dbraw/zinc/74/89/66/556748966.db2.gz RGRKOKCMIISVIJ-UHFFFAOYSA-N 0 0 437.540 4.252 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000058019139 556754574 /nfs/dbraw/zinc/75/45/74/556754574.db2.gz UKACQESZOLQOMR-UHFFFAOYSA-N 0 0 444.572 4.154 50 0 IIAARN COC(=O)CN(Cc1cccc(F)c1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000058055223 556755603 /nfs/dbraw/zinc/75/56/03/556755603.db2.gz KIKCLCFBAKPVLZ-UHFFFAOYSA-N 0 0 449.404 4.154 50 0 IIAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000058067015 556756497 /nfs/dbraw/zinc/75/64/97/556756497.db2.gz TWOXQEBYHBRWQW-FQEVSTJZSA-N 0 0 445.445 4.264 50 0 IIAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000058087383 556757382 /nfs/dbraw/zinc/75/73/82/556757382.db2.gz MTZWGDDYAINKAT-SJLPKXTDSA-N 0 0 425.554 4.003 50 0 IIAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000058102925 556758470 /nfs/dbraw/zinc/75/84/70/556758470.db2.gz MTZOOTBBJOZMJC-CQSZACIVSA-N 0 0 448.445 4.090 50 0 IIAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000096544258 556761041 /nfs/dbraw/zinc/76/10/41/556761041.db2.gz ROROMJHMNOMSDG-MHWRWJLKSA-N 0 0 438.402 4.311 50 0 IIAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1 ZINC000058161414 556765190 /nfs/dbraw/zinc/76/51/90/556765190.db2.gz OLRCVMXTZXDWEO-AREMUKBSSA-N 0 0 443.547 4.400 50 0 IIAARN COc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1Cl ZINC000062007366 556765711 /nfs/dbraw/zinc/76/57/11/556765711.db2.gz TWHMVJPMXYVCDP-UHFFFAOYSA-N 0 0 439.874 4.291 50 0 IIAARN O=C(CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1)Nc1ccc(Cl)cn1 ZINC000001112322 556767438 /nfs/dbraw/zinc/76/74/38/556767438.db2.gz VJSAOIWHILRHBB-BOPFTXTBSA-N 0 0 438.896 4.444 50 0 IIAARN O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccco3)c21 ZINC000058171267 556768202 /nfs/dbraw/zinc/76/82/02/556768202.db2.gz UBYKTDJVHBDIGJ-MRXNPFEDSA-N 0 0 435.505 4.353 50 0 IIAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1SCc1ccccc1 ZINC000058171317 556768234 /nfs/dbraw/zinc/76/82/34/556768234.db2.gz ADVZLBVCHAUZHO-UHFFFAOYSA-N 0 0 433.577 4.445 50 0 IIAARN Cc1cccc(NC[C@H](O)COc2ccc(OC[C@@H](O)CNc3cccc(C)c3)cc2)c1 ZINC000001227794 556769900 /nfs/dbraw/zinc/76/99/00/556769900.db2.gz BJNITXOIVZEKEY-ZEQRLZLVSA-N 0 0 436.552 4.007 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000058245189 556774980 /nfs/dbraw/zinc/77/49/80/556774980.db2.gz VAVVVMDKJHMONB-JNCYCUAHSA-N 0 0 429.948 4.159 50 0 IIAARN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000058246421 556775246 /nfs/dbraw/zinc/77/52/46/556775246.db2.gz MCDPNPPQMRDJNF-ZWKOTPCHSA-N 0 0 444.963 4.135 50 0 IIAARN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000058246420 556775266 /nfs/dbraw/zinc/77/52/66/556775266.db2.gz MCDPNPPQMRDJNF-ROUUACIJSA-N 0 0 444.963 4.135 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000058246649 556775482 /nfs/dbraw/zinc/77/54/82/556775482.db2.gz BRTRDQBEMJOJRU-DEOSSOPVSA-N 0 0 426.520 4.113 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1 ZINC000058282269 556777529 /nfs/dbraw/zinc/77/75/29/556777529.db2.gz ZHCDOWWCKWTOHN-HOYKHHGWSA-N 0 0 433.614 4.022 50 0 IIAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000011173771 556778304 /nfs/dbraw/zinc/77/83/04/556778304.db2.gz NWSMTTCQLSGQFI-HNNXBMFYSA-N 0 0 426.277 4.268 50 0 IIAARN COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(C(=O)N2CCCCC2)cc1OC ZINC000058305004 556778854 /nfs/dbraw/zinc/77/88/54/556778854.db2.gz OQTCRJZXQTYBEZ-FXAWDEMLSA-N 0 0 447.576 4.047 50 0 IIAARN O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1)c1ccco1 ZINC000011181097 556781031 /nfs/dbraw/zinc/78/10/31/556781031.db2.gz SAHRPMJAQMNOJK-UHFFFAOYSA-N 0 0 435.455 4.162 50 0 IIAARN CCn1cnnc1SCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC000011176866 556781636 /nfs/dbraw/zinc/78/16/36/556781636.db2.gz JPYWLAXGRUDATP-UHFFFAOYSA-N 0 0 436.946 4.197 50 0 IIAARN CC(C)N(C[C@H]1CCCN(C(=O)C(C)(C)n2cc(Cl)cn2)C1)C(=O)OC(C)(C)C ZINC000058344047 556782051 /nfs/dbraw/zinc/78/20/51/556782051.db2.gz UHPLBYSJSXLDBU-INIZCTEOSA-N 0 0 426.989 4.156 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc(Br)cn2)cc1 ZINC000058378132 556783978 /nfs/dbraw/zinc/78/39/78/556783978.db2.gz PUUREJRTTVILSU-FQEVSTJZSA-N 0 0 439.313 4.032 50 0 IIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000058391753 556784854 /nfs/dbraw/zinc/78/48/54/556784854.db2.gz KRIFKBNZKQVRNF-UHFFFAOYSA-N 0 0 429.249 4.129 50 0 IIAARN COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1Br ZINC000058401592 556785396 /nfs/dbraw/zinc/78/53/96/556785396.db2.gz FTZOKUHFJKAYMU-INIZCTEOSA-N 0 0 429.723 4.140 50 0 IIAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)Nc4nncs4)C3)cc2C1 ZINC000058405555 556785811 /nfs/dbraw/zinc/78/58/11/556785811.db2.gz CILMOBAFJMGDCD-UKRRQHHQSA-N 0 0 432.615 4.242 50 0 IIAARN CCOc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)cc(OCC)c1OCC ZINC000058744409 556791414 /nfs/dbraw/zinc/79/14/14/556791414.db2.gz NUBGOIJGVISVRZ-UHFFFAOYSA-N 0 0 442.434 4.149 50 0 IIAARN NC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccc(Br)c1 ZINC000058750413 556791676 /nfs/dbraw/zinc/79/16/76/556791676.db2.gz CDGNKLXOHSLLRR-QGZVFWFLSA-N 0 0 433.689 4.319 50 0 IIAARN COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)sc2c1CCCCC2 ZINC000058908269 556792794 /nfs/dbraw/zinc/79/27/94/556792794.db2.gz AHBAVKIKRFVNGH-UHFFFAOYSA-N 0 0 441.958 4.113 50 0 IIAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)n[nH]1 ZINC000059025459 556794354 /nfs/dbraw/zinc/79/43/54/556794354.db2.gz YDIWJRQHIRWIKD-UHFFFAOYSA-N 0 0 446.532 4.366 50 0 IIAARN COCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)s1 ZINC000072400669 556798273 /nfs/dbraw/zinc/79/82/73/556798273.db2.gz ITONORBASIGEKT-IBGZPJMESA-N 0 0 440.569 4.118 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000002089374 556798850 /nfs/dbraw/zinc/79/88/50/556798850.db2.gz HTKUWTUBUHDXIZ-SAIXKJTDSA-N 0 0 443.506 4.295 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000002621834 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4.038 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000003282266 556808380 /nfs/dbraw/zinc/80/83/80/556808380.db2.gz LDPDMRZGZGHSII-OUKQBFOZSA-N 0 0 449.507 4.050 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CC[C@H](C)C2 ZINC000003315627 556809688 /nfs/dbraw/zinc/80/96/88/556809688.db2.gz KJYTZQIZRAAQDC-XTZNXHDOSA-N 0 0 448.368 4.115 50 0 IIAARN Cc1ccc(C(=O)[C@H](OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 ZINC000003319526 556810203 /nfs/dbraw/zinc/81/02/03/556810203.db2.gz YPYRXXJRLBWSFQ-MHECFPHRSA-N 0 0 441.483 4.455 50 0 IIAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)n2)n1 ZINC000003297323 556811052 /nfs/dbraw/zinc/81/10/52/556811052.db2.gz HTKDHQRNBFCGIV-UHFFFAOYSA-N 0 0 437.258 4.126 50 0 IIAARN COc1ccc(-c2cnc(CN(CCO)Cc3cc(Br)ccc3F)o2)cc1 ZINC000060381433 556812492 /nfs/dbraw/zinc/81/24/92/556812492.db2.gz ACIUBCHGLZOAHI-UHFFFAOYSA-N 0 0 435.293 4.246 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000003393062 556814090 /nfs/dbraw/zinc/81/40/90/556814090.db2.gz ASTACZMWJBSNHV-SNVBAGLBSA-N 0 0 428.268 4.203 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 ZINC000003485492 556816630 /nfs/dbraw/zinc/81/66/30/556816630.db2.gz JDJKETDDRQGDTK-UHFFFAOYSA-N 0 0 431.341 4.041 50 0 IIAARN COc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000033067891 556820044 /nfs/dbraw/zinc/82/00/44/556820044.db2.gz IUUYVSLVEFFQPJ-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN O=C(CCc1ccccc1)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033068240 556821452 /nfs/dbraw/zinc/82/14/52/556821452.db2.gz JQXAHMRLNKAKGE-UHFFFAOYSA-N 0 0 433.895 4.498 50 0 IIAARN O=C(NCc1cccnc1)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002202 556830733 /nfs/dbraw/zinc/83/07/33/556830733.db2.gz HUYQJGFNJQQPKT-UHFFFAOYSA-N 0 0 441.510 4.026 50 0 IIAARN Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccccc3Cl)cc21 ZINC000065002894 556831263 /nfs/dbraw/zinc/83/12/63/556831263.db2.gz LDEPMNUGHZPKFV-UHFFFAOYSA-N 0 0 440.952 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4.142 50 0 IIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000011564139 557201273 /nfs/dbraw/zinc/20/12/73/557201273.db2.gz BVGFQWZOFIFLBH-UHFFFAOYSA-N 0 0 434.721 4.292 50 0 IIAARN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100935304 557202665 /nfs/dbraw/zinc/20/26/65/557202665.db2.gz RHSRUBXZYIKUKT-SMIHKQSGSA-N 0 0 428.488 4.363 50 0 IIAARN COc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000025311803 557203562 /nfs/dbraw/zinc/20/35/62/557203562.db2.gz XZGUOWXLRSHMAT-UHFFFAOYSA-N 0 0 448.903 4.219 50 0 IIAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025324092 557203816 /nfs/dbraw/zinc/20/38/16/557203816.db2.gz SWVDWHUXFPPKMX-NSHDSACASA-N 0 0 439.415 4.279 50 0 IIAARN CC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)oc1C ZINC000025320912 557203927 /nfs/dbraw/zinc/20/39/27/557203927.db2.gz PMJNILOEHQXOOQ-IYBDPMFKSA-N 0 0 446.569 4.314 50 0 IIAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000011582853 557204396 /nfs/dbraw/zinc/20/43/96/557204396.db2.gz TXXSOYOAFIWSLA-UHFFFAOYSA-N 0 0 428.916 4.036 50 0 IIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000013987033 557205941 /nfs/dbraw/zinc/20/59/41/557205941.db2.gz JNUZUXKDTXWQMH-UHFFFAOYSA-N 0 0 428.535 4.247 50 0 IIAARN CN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361093 557205991 /nfs/dbraw/zinc/20/59/91/557205991.db2.gz FIZSKKCCVYXKMZ-JOCHJYFZSA-N 0 0 435.499 4.149 50 0 IIAARN CN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361099 557206021 /nfs/dbraw/zinc/20/60/21/557206021.db2.gz FIZSKKCCVYXKMZ-QFIPXVFZSA-N 0 0 435.499 4.149 50 0 IIAARN COc1cc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc(OC)c1OC ZINC000011596842 557206839 /nfs/dbraw/zinc/20/68/39/557206839.db2.gz PZEHSESQDJTNFB-UHFFFAOYSA-N 0 0 447.491 4.500 50 0 IIAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000011612203 557208516 /nfs/dbraw/zinc/20/85/16/557208516.db2.gz NSLCGYQJDQYTDA-UHFFFAOYSA-N 0 0 427.478 4.480 50 0 IIAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000011613122 557208972 /nfs/dbraw/zinc/20/89/72/557208972.db2.gz ZLTJJDOLFLIEMD-UHFFFAOYSA-N 0 0 436.533 4.085 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000011614485 557209329 /nfs/dbraw/zinc/20/93/29/557209329.db2.gz OSRKWRLGINZCAQ-QFIPXVFZSA-N 0 0 425.440 4.325 50 0 IIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010986263 557211441 /nfs/dbraw/zinc/21/14/41/557211441.db2.gz ZPUZGYLHPOPIOP-UHFFFAOYSA-N 0 0 437.493 4.145 50 0 IIAARN Cn1c2oc(Nc3ccccc3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000011614786 557211551 /nfs/dbraw/zinc/21/15/51/557211551.db2.gz UJRVUBXJBWQHNR-UHFFFAOYSA-N 0 0 426.270 4.003 50 0 IIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCC(=O)c1ccc(Cl)cc1 ZINC000011617293 557213011 /nfs/dbraw/zinc/21/30/11/557213011.db2.gz UTIBFQJLUFEHLN-UHFFFAOYSA-N 0 0 435.863 4.296 50 0 IIAARN O=C(COc1cccc(Br)c1)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000024912190 557217634 /nfs/dbraw/zinc/21/76/34/557217634.db2.gz PULSGNBUMIOSGW-UHFFFAOYSA-N 0 0 426.270 4.114 50 0 IIAARN COc1cc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc(OC)c1 ZINC000010992729 557219082 /nfs/dbraw/zinc/21/90/82/557219082.db2.gz ISKXPEBETWOEGN-UHFFFAOYSA-N 0 0 445.475 4.147 50 0 IIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)n2)c(F)c1 ZINC000010993899 557219568 /nfs/dbraw/zinc/21/95/68/557219568.db2.gz UOFLMDHENDESTG-QFIPXVFZSA-N 0 0 439.468 4.018 50 0 IIAARN CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc2c(C)cc(=O)oc2c1 ZINC000002461826 557228136 /nfs/dbraw/zinc/22/81/36/557228136.db2.gz BZEQLFBFQZQMFS-FQEVSTJZSA-N 0 0 437.492 4.033 50 0 IIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011612635 557229951 /nfs/dbraw/zinc/22/99/51/557229951.db2.gz OAXYXYIPKLVGGU-INIZCTEOSA-N 0 0 442.459 4.157 50 0 IIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000011612522 557230136 /nfs/dbraw/zinc/23/01/36/557230136.db2.gz JPWALPUSQHMSCQ-KRWDZBQOSA-N 0 0 437.359 4.021 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)c(OC)c1 ZINC000025933553 557230510 /nfs/dbraw/zinc/23/05/10/557230510.db2.gz OZPWIDYYBMBHBI-HRAATJIYSA-N 0 0 440.565 4.142 50 0 IIAARN COc1cc(C)c(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1OC ZINC000011643721 557230869 /nfs/dbraw/zinc/23/08/69/557230869.db2.gz YZGYSVKZMBZGOO-UHFFFAOYSA-N 0 0 432.476 4.180 50 0 IIAARN COc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3n2C(F)F)n1 ZINC000025983666 557231269 /nfs/dbraw/zinc/23/12/69/557231269.db2.gz MYXOKJNRWKREEZ-UHFFFAOYSA-N 0 0 429.456 4.243 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)c(OC)c1 ZINC000026003207 557231922 /nfs/dbraw/zinc/23/19/22/557231922.db2.gz XVKXKNJIHWTYCS-UHFFFAOYSA-N 0 0 434.492 4.226 50 0 IIAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cc3)cn2n1 ZINC000011693574 557232603 /nfs/dbraw/zinc/23/26/03/557232603.db2.gz IVHOUYYWAMMVDN-UHFFFAOYSA-N 0 0 434.521 4.085 50 0 IIAARN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000032950062 557233155 /nfs/dbraw/zinc/23/31/55/557233155.db2.gz UOMRISMZBAZCSH-UHFFFAOYSA-N 0 0 444.333 4.209 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1F ZINC000098211420 557234929 /nfs/dbraw/zinc/23/49/29/557234929.db2.gz XVXWZJLUWFFLSA-KRWDZBQOSA-N 0 0 448.498 4.490 50 0 IIAARN O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000098211772 557235481 /nfs/dbraw/zinc/23/54/81/557235481.db2.gz FNYBMLYHJCYMAE-UHFFFAOYSA-N 0 0 433.314 4.414 50 0 IIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000026130761 557235783 /nfs/dbraw/zinc/23/57/83/557235783.db2.gz OTOYWWUSMGOBOX-GOSISDBHSA-N 0 0 430.595 4.127 50 0 IIAARN COc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1OC ZINC000098212882 557236076 /nfs/dbraw/zinc/23/60/76/557236076.db2.gz AUTRGTJBQSXGCT-UHFFFAOYSA-N 0 0 440.931 4.146 50 0 IIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000026130766 557236132 /nfs/dbraw/zinc/23/61/32/557236132.db2.gz OTOYWWUSMGOBOX-SFHVURJKSA-N 0 0 430.595 4.127 50 0 IIAARN CC(C)Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032950569 557237148 /nfs/dbraw/zinc/23/71/48/557237148.db2.gz KYJBRQQGNQBLMD-UHFFFAOYSA-N 0 0 432.977 4.309 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000032951502 557244860 /nfs/dbraw/zinc/24/48/60/557244860.db2.gz FOYMSQKWIZFDKZ-UHFFFAOYSA-N 0 0 444.329 4.272 50 0 IIAARN Cc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4)n3c2)cc1 ZINC000032951548 557245825 /nfs/dbraw/zinc/24/58/25/557245825.db2.gz JLKQNHQINNHPGM-UHFFFAOYSA-N 0 0 435.484 4.160 50 0 IIAARN COc1cc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc(OC)c1OC ZINC000018185584 557246605 /nfs/dbraw/zinc/24/66/05/557246605.db2.gz TYJDQODTTGBQIC-UHFFFAOYSA-N 0 0 428.510 4.238 50 0 IIAARN O=C(NC[C@@H]1CCC[C@H](CNC(=O)N2CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000018182321 557246642 /nfs/dbraw/zinc/24/66/42/557246642.db2.gz ADQOQDWLPPQSFQ-BGYRXZFFSA-N 0 0 432.568 4.337 50 0 aggregator IIAARN COc1ccc([C@@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C(C)C)cc1OC ZINC000604419538 557251503 /nfs/dbraw/zinc/25/15/03/557251503.db2.gz AYTOTKRXSVXVNZ-QFIPXVFZSA-N 0 0 437.544 4.033 50 0 IIAARN CCN(CC)c1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000018210413 557252150 /nfs/dbraw/zinc/25/21/50/557252150.db2.gz XUCXTUQSMPTWKH-UHFFFAOYSA-N 0 0 442.610 4.440 50 0 IIAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(Br)cc1C ZINC000101094336 557253429 /nfs/dbraw/zinc/25/34/29/557253429.db2.gz MQOVMGKQXHVPNC-UHFFFAOYSA-N 0 0 437.315 4.097 50 0 IIAARN CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)c1ccccc1 ZINC000027174829 557258528 /nfs/dbraw/zinc/25/85/28/557258528.db2.gz HMAWERIUZNBDHK-MRXNPFEDSA-N 0 0 447.409 4.056 50 0 IIAARN CCOc1ccccc1-c1noc(CSCCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000027193754 557258620 /nfs/dbraw/zinc/25/86/20/557258620.db2.gz HTIQPILLCRBQLU-UHFFFAOYSA-N 0 0 427.482 4.126 50 0 IIAARN Nc1nc(CN2CCC(C(=O)NCc3ccccc3)CC2)nc2sc3c(c21)CCCCC3 ZINC000027367976 557261170 /nfs/dbraw/zinc/26/11/70/557261170.db2.gz CSSUVUXRRGGBEY-UHFFFAOYSA-N 0 0 449.624 4.071 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CN(C)Cc3ccccc3N3CCOCC3)n2)cc1 ZINC000027372831 557261292 /nfs/dbraw/zinc/26/12/92/557261292.db2.gz RKOCMFSTGMEWQD-UHFFFAOYSA-N 0 0 436.581 4.026 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000027382449 557261576 /nfs/dbraw/zinc/26/15/76/557261576.db2.gz SEPBUWLSCOIVAU-UHFFFAOYSA-N 0 0 444.944 4.309 50 0 IIAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1nn(-c2ccccc2)c2c1CCC2 ZINC000024946806 557261556 /nfs/dbraw/zinc/26/15/56/557261556.db2.gz AFLGOQQUWKUZKC-UHFFFAOYSA-N 0 0 440.297 4.147 50 0 IIAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)c3cccs3)CC2)c1=S ZINC000027512947 557263160 /nfs/dbraw/zinc/26/31/60/557263160.db2.gz BUYVTCKDEFASMN-UHFFFAOYSA-N 0 0 448.017 4.231 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 ZINC000101281931 557266974 /nfs/dbraw/zinc/26/69/74/557266974.db2.gz HCWKNZZFDNCAAO-UHFFFAOYSA-N 0 0 438.487 4.066 50 0 IIAARN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000027662291 557268917 /nfs/dbraw/zinc/26/89/17/557268917.db2.gz WBCKZNYBJQMBSD-INIZCTEOSA-N 0 0 449.370 4.369 50 0 IIAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1Br ZINC000000823597 557269192 /nfs/dbraw/zinc/26/91/92/557269192.db2.gz IOQPRQKSYDMYPJ-GOSISDBHSA-N 0 0 437.334 4.352 50 0 IIAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027743389 557272325 /nfs/dbraw/zinc/27/23/25/557272325.db2.gz CZXKEDXMMVNPQJ-MRXNPFEDSA-N 0 0 432.756 4.476 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1cc(C)ccc1C ZINC000101367977 557277970 /nfs/dbraw/zinc/27/79/70/557277970.db2.gz OKDKDTKSWFOLMJ-NRFANRHFSA-N 0 0 425.554 4.110 50 0 IIAARN Cc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCC3CC3)N21 ZINC000101385737 557281896 /nfs/dbraw/zinc/28/18/96/557281896.db2.gz FNIZTLGYHCUVAI-QFIPXVFZSA-N 0 0 439.581 4.438 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101384493 557281942 /nfs/dbraw/zinc/28/19/42/557281942.db2.gz GGWDDXHVODEABD-FQEVSTJZSA-N 0 0 445.972 4.394 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101394893 557283357 /nfs/dbraw/zinc/28/33/57/557283357.db2.gz NUNPCPWRGFOFFM-NRFANRHFSA-N 0 0 425.554 4.049 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000101233376 557285199 /nfs/dbraw/zinc/28/51/99/557285199.db2.gz GZRIXSLKERGLNO-CNDZOEFASA-N 0 0 433.504 4.269 50 0 IIAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628751 557291605 /nfs/dbraw/zinc/29/16/05/557291605.db2.gz KRBLAOIVXKIAPS-PMACEKPBSA-N 0 0 440.565 4.088 50 0 IIAARN CCc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629403 557291878 /nfs/dbraw/zinc/29/18/78/557291878.db2.gz KPPCPELEIPCDSW-SFTDATJTSA-N 0 0 440.565 4.033 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)C(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101861059 557303920 /nfs/dbraw/zinc/30/39/20/557303920.db2.gz GMMQXUXZVYDESA-UHFFFAOYSA-N 0 0 449.942 4.159 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1C ZINC000102641540 557304376 /nfs/dbraw/zinc/30/43/76/557304376.db2.gz GTXKKADMKMCGMQ-POCHDABASA-N 0 0 431.488 4.045 50 0 IIAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000101881331 557305432 /nfs/dbraw/zinc/30/54/32/557305432.db2.gz QPKCQEPHCUPBKH-UHFFFAOYSA-N 0 0 432.911 4.217 50 0 IIAARN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)Nc1ccc(Br)cc1 ZINC000101881979 557305719 /nfs/dbraw/zinc/30/57/19/557305719.db2.gz ZTBYUAXHTFBDJT-UHFFFAOYSA-N 0 0 449.308 4.340 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000014129135 557308195 /nfs/dbraw/zinc/30/81/95/557308195.db2.gz KXRHWKBWGFXNHT-KRWDZBQOSA-N 0 0 432.476 4.408 50 0 IIAARN C[C@@H]1CN(C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccco2)CC3)C[C@H](C)O1 ZINC000102052080 557309170 /nfs/dbraw/zinc/30/91/70/557309170.db2.gz IYYCWHMVYVXFMI-AOGWUINGSA-N 0 0 446.503 4.107 50 0 IIAARN 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Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)CC2)c1C ZINC000102988161 557414348 /nfs/dbraw/zinc/41/43/48/557414348.db2.gz VPLHBYJQPHEFBB-LJQANCHMSA-N 0 0 432.351 4.064 50 0 IIAARN O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1cccc(Br)c1 ZINC000014099685 557424411 /nfs/dbraw/zinc/42/44/11/557424411.db2.gz LEULXMFGWBSYGE-UHFFFAOYSA-N 0 0 438.265 4.007 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N1CCCC1 ZINC000014794004 557455523 /nfs/dbraw/zinc/45/55/23/557455523.db2.gz LYRWQCXMTXIWRM-UHFFFAOYSA-N 0 0 448.544 4.303 50 0 IIAARN CC[C@@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccccc3F)CC2)N(C[C@@H](C)CC)C1=O ZINC000104949816 557467341 /nfs/dbraw/zinc/46/73/41/557467341.db2.gz HZRBDPXXRGVNCU-SQGPQFPESA-N 0 0 434.625 4.207 50 0 IIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000105009188 557470800 /nfs/dbraw/zinc/47/08/00/557470800.db2.gz AKTBMGZWKCMJCQ-BJKOFHAPSA-N 0 0 433.552 4.090 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2)C1 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CCN(C(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3)c1cccc(C)c1 ZINC000008613806 562959441 /nfs/dbraw/zinc/95/94/41/562959441.db2.gz YMZBKGVOWQRRHV-INIZCTEOSA-N 0 0 438.597 4.366 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(F)cccc4F)ccc32)cc1 ZINC000008613977 562959510 /nfs/dbraw/zinc/95/95/10/562959510.db2.gz FKYPTZUXJXZIAR-UHFFFAOYSA-N 0 0 428.460 4.277 50 0 aggregator IIAARN COC(=O)c1ccc(Cl)cc1NC(=O)N(Cc1ccc(C)o1)C1CCN(C(C)=O)CC1 ZINC000008619113 562959782 /nfs/dbraw/zinc/95/97/82/562959782.db2.gz BISGKWLJPFLYAD-UHFFFAOYSA-N 0 0 447.919 4.073 50 0 IIAARN CCCCn1nc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000008665023 562960410 /nfs/dbraw/zinc/96/04/10/562960410.db2.gz QUTYPCSPKSSMNE-FQEVSTJZSA-N 0 0 449.580 4.297 50 0 IIAARN CCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1OCC ZINC000008682836 562961804 /nfs/dbraw/zinc/96/18/04/562961804.db2.gz WUFDCQIQVFKDCI-UHFFFAOYSA-N 0 0 434.536 4.184 50 0 IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCc4ccccn4)ccc23)cc1 ZINC000008792004 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ZINC000015942992 563019889 /nfs/dbraw/zinc/01/98/89/563019889.db2.gz TWIWRZMXSWEDKG-KRWDZBQOSA-N 0 0 449.942 4.038 50 0 IIAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000015944378 563020254 /nfs/dbraw/zinc/02/02/54/563020254.db2.gz KYNYGAVYVOZZDX-MYGHRHJXSA-N 0 0 440.565 4.045 50 0 IIAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 ZINC000016944864 563021102 /nfs/dbraw/zinc/02/11/02/563021102.db2.gz OYQIGTYBGVMOTC-UHFFFAOYSA-N 0 0 433.917 4.282 50 0 IIAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC000058021478 563143281 /nfs/dbraw/zinc/14/32/81/563143281.db2.gz OQFWQLDZWGXMGZ-UHFFFAOYSA-N 0 0 426.870 4.303 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)CCc2cc(OC)ccc2OC)c2ccccc21 ZINC000106171418 568625089 /nfs/dbraw/zinc/62/50/89/568625089.db2.gz WOLFUUOWLIEODB-SVMVAKDDSA-N 0 0 438.568 4.460 50 0 IIAARN Cc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)NCc4cccc(Cl)c4)c3)c2n1 ZINC000033298040 568626236 /nfs/dbraw/zinc/62/62/36/568626236.db2.gz GQOPCTBRMHTJJJ-UHFFFAOYSA-N 0 0 440.956 4.453 50 0 IIAARN CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000018949767 568629070 /nfs/dbraw/zinc/62/90/70/568629070.db2.gz CXYPCFINWVKRAZ-UHFFFAOYSA-N 0 0 440.931 4.132 50 0 IIAARN COc1ccc(NC(=O)[C@@H](Sc2n[nH]c(=O)n2C2CC2)c2ccccc2)cc1Cl ZINC000018973722 568630926 /nfs/dbraw/zinc/63/09/26/568630926.db2.gz OBSIQNHSARGQHT-KRWDZBQOSA-N 0 0 430.917 4.040 50 0 IIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccc(Cl)cc1C(N)=O ZINC000019042773 568634578 /nfs/dbraw/zinc/63/45/78/568634578.db2.gz AWKKCFFGOPJDBI-UHFFFAOYSA-N 0 0 433.291 4.390 50 0 IIAARN COc1ccccc1NC(=O)c1sc2ncn(CCOc3ccccc3)c(=O)c2c1C ZINC000000935973 568638452 /nfs/dbraw/zinc/63/84/52/568638452.db2.gz XYCHMKDCYAZVRU-UHFFFAOYSA-N 0 0 435.505 4.106 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 ZINC000000934748 568638753 /nfs/dbraw/zinc/63/87/53/568638753.db2.gz VYUNVZGWFJXCMS-DYESRHJHSA-N 0 0 436.265 4.391 50 0 IIAARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)cc1OCC ZINC000000936454 568638819 /nfs/dbraw/zinc/63/88/19/568638819.db2.gz KWWQJVXGLPWQIG-JOCHJYFZSA-N 0 0 434.496 4.108 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000000937240 568638943 /nfs/dbraw/zinc/63/89/43/568638943.db2.gz PJZSKHBENJLBFV-UHFFFAOYSA-N 0 0 442.471 4.208 50 0 IIAARN Cc1cccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-c3ccccc3)CC2)c1 ZINC000025147096 568641071 /nfs/dbraw/zinc/64/10/71/568641071.db2.gz MOGBBTGERCIMAB-UHFFFAOYSA-N 0 0 444.560 4.116 50 0 IIAARN C[C@@]1(c2ccc(Br)cc2)N=C(SCc2cnn(-c3ccccc3)c2)NC1=O ZINC000253400955 568642342 /nfs/dbraw/zinc/64/23/42/568642342.db2.gz GCKXVRUUZOXXLK-FQEVSTJZSA-N 0 0 441.354 4.269 50 0 IIAARN CCOc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)ccc1OCc1ccc(Cl)cc1 ZINC000000956986 568646072 /nfs/dbraw/zinc/64/60/72/568646072.db2.gz JBBKXJYGLOOPOU-FQEVSTJZSA-N 0 0 446.956 4.284 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn(CC(=O)OCc3ccccc3)c(=O)c12 ZINC000000958450 568646274 /nfs/dbraw/zinc/64/62/74/568646274.db2.gz LPCCCNTUCSRUBX-UHFFFAOYSA-N 0 0 447.516 4.071 50 0 IIAARN Cc1cc(C)n(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(-n3nc(C)cc3C)n2)n1 ZINC000000970323 568647416 /nfs/dbraw/zinc/64/74/16/568647416.db2.gz LENJGMLNJJUIQX-UHFFFAOYSA-N 0 0 444.421 4.119 50 0 IIAARN CC(=O)Oc1cc(OC(C)=O)c2c(c1)occ(Oc1ccc(Br)cc1)c2=O ZINC000000985443 568649022 /nfs/dbraw/zinc/64/90/22/568649022.db2.gz GLQCMLBZMWQSCP-UHFFFAOYSA-N 0 0 433.210 4.198 50 0 biogenic IIAARN CCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c(C)n1 ZINC000001000960 568650006 /nfs/dbraw/zinc/65/00/06/568650006.db2.gz PWLBZOSUAFDNQD-UHFFFAOYSA-N 0 0 426.542 4.190 50 0 IIAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc(Nc2ncccn2)c1 ZINC000025339973 568654315 /nfs/dbraw/zinc/65/43/15/568654315.db2.gz PDDOMAVQKBAGNO-UHFFFAOYSA-N 0 0 436.825 4.129 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001091192 568658530 /nfs/dbraw/zinc/65/85/30/568658530.db2.gz KIDXQZBDVWXNPP-NRFANRHFSA-N 0 0 428.941 4.177 50 0 IIAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000001098791 568658781 /nfs/dbraw/zinc/65/87/81/568658781.db2.gz FXCPDOYGHOJESN-YIXHJXPBSA-N 0 0 447.495 4.095 50 0 IIAARN CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001103973 568660374 /nfs/dbraw/zinc/66/03/74/568660374.db2.gz GYSRZUCRECNFAL-UHFFFAOYSA-N 0 0 438.549 4.223 50 0 IIAARN COc1cc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc(OC)c1OC ZINC000001134836 568662193 /nfs/dbraw/zinc/66/21/93/568662193.db2.gz BMPPXDGEBBYHRI-UHFFFAOYSA-N 0 0 430.840 4.180 50 0 biogenic IIAARN O=S(=O)(Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccc(Cl)cc1 ZINC000263640120 568737438 /nfs/dbraw/zinc/73/74/38/568737438.db2.gz YIUWCZKGQGTREQ-UHFFFAOYSA-N 0 0 438.214 4.431 50 0 IIAARN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000031575710 568740486 /nfs/dbraw/zinc/74/04/86/568740486.db2.gz ZXGCBCARRQZBLE-UHFFFAOYSA-N 0 0 443.551 4.228 50 0 IIAARN COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000003246334 568743470 /nfs/dbraw/zinc/74/34/70/568743470.db2.gz SSEMHASQCGBLER-NSHDSACASA-N 0 0 442.295 4.132 50 0 IIAARN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000003246336 568743489 /nfs/dbraw/zinc/74/34/89/568743489.db2.gz SSEMHASQCGBLER-LLVKDONJSA-N 0 0 442.295 4.132 50 0 IIAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000044002173 568745474 /nfs/dbraw/zinc/74/54/74/568745474.db2.gz IDHWVFMEWUQGQC-GQCTYLIASA-N 0 0 437.323 4.033 50 0 IIAARN Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccccc3Cc3ccccc3)c2)c1 ZINC000003335765 568746550 /nfs/dbraw/zinc/74/65/50/568746550.db2.gz UFQGCJARIKELKJ-UHFFFAOYSA-N 0 0 426.472 4.438 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000003372526 568748278 /nfs/dbraw/zinc/74/82/78/568748278.db2.gz MLTIPLLSTBZDNY-UHFFFAOYSA-N 0 0 427.432 4.047 50 0 IIAARN CCc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000044165794 568748925 /nfs/dbraw/zinc/74/89/25/568748925.db2.gz HLYUTPQFPBFROJ-UHFFFAOYSA-N 0 0 446.511 4.476 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)NCCCc2ccccc2)c1C ZINC000044168615 568749083 /nfs/dbraw/zinc/74/90/83/568749083.db2.gz LDYDFWPYDPRCSX-UHFFFAOYSA-N 0 0 429.524 4.269 50 0 IIAARN COc1ccccc1-c1noc(Cn2ccn3nc(-c4cccc5ccccc54)cc3c2=O)n1 ZINC000044166930 568749249 /nfs/dbraw/zinc/74/92/49/568749249.db2.gz IRPCUZCQRNLICC-UHFFFAOYSA-N 0 0 449.470 4.423 50 0 IIAARN COc1ccc2c(c1)c(CC(=O)Nc1nnc(C)o1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000003434359 568749394 /nfs/dbraw/zinc/74/93/94/568749394.db2.gz AVZLKWBZUKUHCZ-UHFFFAOYSA-N 0 0 438.871 4.173 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003445397 568749601 /nfs/dbraw/zinc/74/96/01/568749601.db2.gz OJTDGJWBSAWFOR-UHFFFAOYSA-N 0 0 441.453 4.204 50 0 IIAARN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1 ZINC000044213329 568749854 /nfs/dbraw/zinc/74/98/54/568749854.db2.gz LKVDNLCENJJLQM-UHFFFAOYSA-N 0 0 429.549 4.066 50 0 IIAARN COCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003494180 568750102 /nfs/dbraw/zinc/75/01/02/568750102.db2.gz JOLJOOLGIWTVJM-HNNXBMFYSA-N 0 0 430.961 4.214 50 0 IIAARN CC(C)N(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(C)C ZINC000003534822 568750527 /nfs/dbraw/zinc/75/05/27/568750527.db2.gz LKIDUELABVYVKB-UHFFFAOYSA-N 0 0 438.553 4.401 50 0 IIAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4)c(=O)n3n2)cc1 ZINC000003649120 568752627 /nfs/dbraw/zinc/75/26/27/568752627.db2.gz WIVKXJDDTWWIRI-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN COc1ccc(CCNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000003645183 568752633 /nfs/dbraw/zinc/75/26/33/568752633.db2.gz SCPKHRYGQQPTMC-QAPCUYQASA-N 0 0 434.418 4.118 50 0 IIAARN CC(C)c1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 ZINC000299758520 568755552 /nfs/dbraw/zinc/75/55/52/568755552.db2.gz MCPATYOEQCXESS-UHFFFAOYSA-N 0 0 432.553 4.224 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000015355459 568759496 /nfs/dbraw/zinc/75/94/96/568759496.db2.gz KUDDAKLWNWEYQP-HTAPYJJXSA-N 0 0 439.508 4.411 50 0 IIAARN CCCCS[C@@H]1CCCC[C@@H]1OC(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586685 568759504 /nfs/dbraw/zinc/75/95/04/568759504.db2.gz WXRHXRQJLTZHBC-YUVXSKOASA-N 0 0 432.630 4.045 50 0 biogenic IIAARN COCCn1ccc2c1cccc2OCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000263587772 568760865 /nfs/dbraw/zinc/76/08/65/568760865.db2.gz LBTFNYDTXMKDHV-RUZDIDTESA-N 0 0 440.540 4.197 50 0 IIAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 ZINC000001240156 568774546 /nfs/dbraw/zinc/77/45/46/568774546.db2.gz LALXVFDADNJBAY-HXUWFJFHSA-N 0 0 445.928 4.016 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 ZINC000001243539 568774654 /nfs/dbraw/zinc/77/46/54/568774654.db2.gz AACANBYALNAMDW-UHFFFAOYSA-N 0 0 428.473 4.190 50 0 IIAARN CC(=O)Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000001255665 568774996 /nfs/dbraw/zinc/77/49/96/568774996.db2.gz ZMUJAIVTBOCIIP-UHFFFAOYSA-N 0 0 428.444 4.282 50 0 IIAARN CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001261159 568775374 /nfs/dbraw/zinc/77/53/74/568775374.db2.gz CGAWTTBDLHBVHZ-INIZCTEOSA-N 0 0 440.594 4.168 50 0 IIAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(OC)cc3)OC4)n2)ccc1OC ZINC000263616920 568776467 /nfs/dbraw/zinc/77/64/67/568776467.db2.gz LEXYRQOALDLNDN-QFIPXVFZSA-N 0 0 448.479 4.288 50 0 IIAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(OC)cc3)OC4)n2)ccc1OC ZINC000263616919 568776519 /nfs/dbraw/zinc/77/65/19/568776519.db2.gz LEXYRQOALDLNDN-JOCHJYFZSA-N 0 0 448.479 4.288 50 0 IIAARN O=S(=O)(c1cccs1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000025784847 568780459 /nfs/dbraw/zinc/78/04/59/568780459.db2.gz TYULFLYCOVOZES-UHFFFAOYSA-N 0 0 440.015 4.032 50 0 IIAARN c1ccn2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004126295 568780920 /nfs/dbraw/zinc/78/09/20/568780920.db2.gz KNLLSINIIKRXKQ-UHFFFAOYSA-N 0 0 428.492 4.353 50 0 IIAARN CCn1c(CCNC(=O)c2c(Br)c3ccccc3n2C)nc2ccccc21 ZINC000083840211 568782762 /nfs/dbraw/zinc/78/27/62/568782762.db2.gz PJFRRCCJHUWUJH-UHFFFAOYSA-N 0 0 425.330 4.283 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)c1 ZINC000004163678 568783002 /nfs/dbraw/zinc/78/30/02/568783002.db2.gz WJYPFSGZFDPSQV-KRWDZBQOSA-N 0 0 427.220 4.259 50 0 IIAARN O=c1cc(C(F)(F)F)c(S(=O)(=O)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000001398504 568785656 /nfs/dbraw/zinc/78/56/56/568785656.db2.gz ISOPRCHRYAIGML-UHFFFAOYSA-N 0 0 448.344 4.103 50 0 IIAARN FC(F)(F)c1cccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000046078273 568787329 /nfs/dbraw/zinc/78/73/29/568787329.db2.gz IYJFCTGILDLWHW-UHFFFAOYSA-N 0 0 431.418 4.334 50 0 IIAARN Cc1nc(C)c([C@H](C)NC(=O)Nc2cc(Br)ccc2N2CCOCC2)s1 ZINC000084062333 568790766 /nfs/dbraw/zinc/79/07/66/568790766.db2.gz XCNCMTDBOOZMIW-LBPRGKRZSA-N 0 0 439.379 4.242 50 0 IIAARN CCOC(=O)C1C(CNc2cccc3cccnc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422885 568793403 /nfs/dbraw/zinc/79/34/03/568793403.db2.gz RCYGTQUCXUQNMC-HSZRJFAPSA-N 0 0 430.508 4.135 50 0 IIAARN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000084241085 568796510 /nfs/dbraw/zinc/79/65/10/568796510.db2.gz HBAGTJYVVFGULV-IBGZPJMESA-N 0 0 429.467 4.235 50 0 IIAARN CN(C)c1ncc(CNC(=O)CC2(CC(=O)c3ccc(Cl)s3)CCCCC2)n1C ZINC000084303902 568796934 /nfs/dbraw/zinc/79/69/34/568796934.db2.gz PUNJIWCALHRJNZ-UHFFFAOYSA-N 0 0 437.009 4.431 50 0 IIAARN Cn1c2ccccc2c(Br)c1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000084311268 568797058 /nfs/dbraw/zinc/79/70/58/568797058.db2.gz CXNBFTDKNDMBJH-OAHLLOKOSA-N 0 0 441.247 4.423 50 0 IIAARN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000084750303 568800831 /nfs/dbraw/zinc/80/08/31/568800831.db2.gz JXWOTRGXXFFOOQ-UHFFFAOYSA-N 0 0 436.375 4.063 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3Cl)n2)c1 ZINC000015670537 568802652 /nfs/dbraw/zinc/80/26/52/568802652.db2.gz MSBDSLQUODVSOU-KRWDZBQOSA-N 0 0 446.898 4.169 50 0 IIAARN CCOCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675533 568803922 /nfs/dbraw/zinc/80/39/22/568803922.db2.gz WIPCMLNVTTVUTH-DEOSSOPVSA-N 0 0 429.561 4.105 50 0 IIAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc(OC(C)C)cc1)n2C ZINC000015681801 568806701 /nfs/dbraw/zinc/80/67/01/568806701.db2.gz VBGVXYUEGNGELU-UHFFFAOYSA-N 0 0 435.524 4.031 50 0 IIAARN CSc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1 ZINC000015681709 568806705 /nfs/dbraw/zinc/80/67/05/568806705.db2.gz IPNJBFQBNUPXNA-UHFFFAOYSA-N 0 0 425.529 4.139 50 0 IIAARN Cc1oc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)nc1COc1ccc(C)cc1 ZINC000015682126 568806958 /nfs/dbraw/zinc/80/69/58/568806958.db2.gz BBDOIOYJCPUIGC-UHFFFAOYSA-N 0 0 447.535 4.280 50 0 IIAARN CN(Cc1ccc2ccccc2c1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000032498651 568811322 /nfs/dbraw/zinc/81/13/22/568811322.db2.gz ZBOZQEJHFNFWPK-UHFFFAOYSA-N 0 0 428.529 4.038 50 0 IIAARN COc1ccc([C@@H](CC(=O)N2CCc3ccccc32)N2Cc3ccccc3C2=O)cc1OC ZINC000015721268 568811799 /nfs/dbraw/zinc/81/17/99/568811799.db2.gz APOPSPFLFNMNQI-HSZRJFAPSA-N 0 0 442.515 4.380 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]n2)cc1 ZINC000015721718 568812121 /nfs/dbraw/zinc/81/21/21/568812121.db2.gz SIIJQCFCBRLDPM-UHFFFAOYSA-N 0 0 444.457 4.457 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1cnn2c1ncc1c2CCCCCC1 ZINC000015723652 568812302 /nfs/dbraw/zinc/81/23/02/568812302.db2.gz GKDNDSCVEIOPJD-UHFFFAOYSA-N 0 0 443.345 4.089 50 0 IIAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)CS4)cc2)CC1 ZINC000015731210 568814616 /nfs/dbraw/zinc/81/46/16/568814616.db2.gz NPWVBXQAOLOALE-MRXNPFEDSA-N 0 0 445.610 4.404 50 0 IIAARN Cc1cccc(-c2nc(SCc3cc(=O)n4nc(-c5ccccc5)sc4n3)n[nH]2)c1 ZINC000015731912 568815021 /nfs/dbraw/zinc/81/50/21/568815021.db2.gz FDTLFSYYFWDDOS-UHFFFAOYSA-N 0 0 432.534 4.204 50 0 IIAARN Cc1cc(NC(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)no1 ZINC000015734970 568816486 /nfs/dbraw/zinc/81/64/86/568816486.db2.gz HMHPVPVRIYHCDY-UHFFFAOYSA-N 0 0 448.346 4.119 50 0 IIAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000085394015 568817171 /nfs/dbraw/zinc/81/71/71/568817171.db2.gz ZKQBZLWOJGITSF-UHFFFAOYSA-N 0 0 437.565 4.461 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000001473331 568822257 /nfs/dbraw/zinc/82/22/57/568822257.db2.gz OGXUHMLAMCEKHJ-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1)c1ccccc1 ZINC000015772362 568822916 /nfs/dbraw/zinc/82/29/16/568822916.db2.gz QITWRXKIDSMJJU-IBGZPJMESA-N 0 0 445.475 4.085 50 0 IIAARN O=C(NCc1cccc(Br)c1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774108 568823116 /nfs/dbraw/zinc/82/31/16/568823116.db2.gz CMDKQMRMHGLODT-NRFANRHFSA-N 0 0 435.321 4.337 50 0 IIAARN C[C@H](CNC(=O)CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)c1ccccc1 ZINC000015776582 568823917 /nfs/dbraw/zinc/82/39/17/568823917.db2.gz SVZXVUBGLHODJP-QGZVFWFLSA-N 0 0 448.958 4.242 50 0 IIAARN Cc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000015783576 568826948 /nfs/dbraw/zinc/82/69/48/568826948.db2.gz ZWKFELOTXKWEHO-JXFKEZNVSA-N 0 0 434.565 4.048 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000085601757 568827175 /nfs/dbraw/zinc/82/71/75/568827175.db2.gz LSUZENQKJKVBSH-UHFFFAOYSA-N 0 0 434.814 4.189 50 0 IIAARN CSc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(-c3ccc(C)cc3)c4=O)n2)cc1 ZINC000085601813 568827244 /nfs/dbraw/zinc/82/72/44/568827244.db2.gz FXSDLSRQBBOVGR-UHFFFAOYSA-N 0 0 442.500 4.426 50 0 IIAARN COc1cc(Cl)ccc1-c1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 ZINC000085642138 568828852 /nfs/dbraw/zinc/82/88/52/568828852.db2.gz CEHUBRNUGAGABT-UHFFFAOYSA-N 0 0 447.944 4.486 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1OC)C(=O)c1ccccc1S2 ZINC000015784954 568829735 /nfs/dbraw/zinc/82/97/35/568829735.db2.gz VJCRGOUUVMGQPU-UHFFFAOYSA-N 0 0 448.500 4.232 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(SCC(=O)Nc4ccc(C)c(F)c4)o3)CC2=O)cc1 ZINC000015785016 568829755 /nfs/dbraw/zinc/82/97/55/568829755.db2.gz QJOMCACKXSYKBS-OAHLLOKOSA-N 0 0 440.500 4.077 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2OCC)c1C ZINC000085711531 568834859 /nfs/dbraw/zinc/83/48/59/568834859.db2.gz SZPLYGMEIBDXTE-SFHVURJKSA-N 0 0 428.529 4.028 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000138428973 568837373 /nfs/dbraw/zinc/83/73/73/568837373.db2.gz KHWAVBYANPTJJF-BHDDXSALSA-N 0 0 434.879 4.400 50 0 IIAARN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000106234353 568837543 /nfs/dbraw/zinc/83/75/43/568837543.db2.gz GUAXNPTVJIEBCT-YZVOILCLSA-N 0 0 435.503 4.389 50 0 IIAARN Cc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)C[C@H]2C)c1 ZINC000020377111 568838365 /nfs/dbraw/zinc/83/83/65/568838365.db2.gz DADOLHSOQVJHRP-LJQANCHMSA-N 0 0 435.535 4.363 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1OC ZINC000015821414 568839823 /nfs/dbraw/zinc/83/98/23/568839823.db2.gz OJUFMDRLWSXJPQ-UHFFFAOYSA-N 0 0 442.903 4.262 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000015823980 568840396 /nfs/dbraw/zinc/84/03/96/568840396.db2.gz TWMJHIBSKBMCBY-UHFFFAOYSA-N 0 0 430.555 4.177 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 ZINC000015825523 568840617 /nfs/dbraw/zinc/84/06/17/568840617.db2.gz NQGNVGLUBRMVJA-UHFFFAOYSA-N 0 0 429.929 4.492 50 0 IIAARN CN1c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2Sc2ccccc2C1=O ZINC000015826013 568840804 /nfs/dbraw/zinc/84/08/04/568840804.db2.gz YGMQLBXWDCTHLK-INIZCTEOSA-N 0 0 443.528 4.419 50 0 IIAARN O=C(/C=C\c1ccccc1)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000033387669 568842339 /nfs/dbraw/zinc/84/23/39/568842339.db2.gz HBUKBRDASJYJQI-SNGWPZLWSA-N 0 0 444.771 4.205 50 0 IIAARN Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C3(COC3)N2Cc2ccccc2)cc1 ZINC000258833847 568843835 /nfs/dbraw/zinc/84/38/35/568843835.db2.gz MHZMZLLFIUTVCB-VWLOTQADSA-N 0 0 448.588 4.278 50 0 IIAARN Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c(=O)c1Cc1ccccc1 ZINC000006143470 568845682 /nfs/dbraw/zinc/84/56/82/568845682.db2.gz YBRVNQFGXOQQCG-UHFFFAOYSA-N 0 0 433.455 4.419 50 0 IIAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)CC1 ZINC000015864991 568849874 /nfs/dbraw/zinc/84/98/74/568849874.db2.gz HPTJQUKQHRJJHR-UHFFFAOYSA-N 0 0 435.867 4.339 50 0 IIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865563 568850278 /nfs/dbraw/zinc/85/02/78/568850278.db2.gz AHIASCZMPZHQAV-MRXNPFEDSA-N 0 0 449.894 4.333 50 0 IIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865564 568850312 /nfs/dbraw/zinc/85/03/12/568850312.db2.gz AHIASCZMPZHQAV-INIZCTEOSA-N 0 0 449.894 4.333 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(F)ccc4F)nc3n2)cc1 ZINC000015868171 568851139 /nfs/dbraw/zinc/85/11/39/568851139.db2.gz UDMVABAXNAVHKT-UHFFFAOYSA-N 0 0 449.339 4.349 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(Br)s1)CC(=O)N2 ZINC000015868323 568851255 /nfs/dbraw/zinc/85/12/55/568851255.db2.gz WYDVVASDXIFCEU-JTQLQIEISA-N 0 0 428.315 4.355 50 0 IIAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccc(F)c1 ZINC000015882144 568856529 /nfs/dbraw/zinc/85/65/29/568856529.db2.gz UJTPGZCTIFQHMN-UHFFFAOYSA-N 0 0 426.517 4.464 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 ZINC000015882643 568857251 /nfs/dbraw/zinc/85/72/51/568857251.db2.gz GCZITJPEFLXKPF-UHFFFAOYSA-N 0 0 429.527 4.230 50 0 IIAARN CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O ZINC000015882887 568857396 /nfs/dbraw/zinc/85/73/96/568857396.db2.gz PXKRVLFPCPWYDS-UHFFFAOYSA-N 0 0 427.298 4.310 50 0 IIAARN CN(C)C(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1 ZINC000026131057 568859812 /nfs/dbraw/zinc/85/98/12/568859812.db2.gz BQTAUZVSGNOTKR-UHFFFAOYSA-N 0 0 447.878 4.095 50 0 IIAARN CN1C(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2C1=O ZINC000016016859 568862886 /nfs/dbraw/zinc/86/28/86/568862886.db2.gz WOHUXSIVJDXKSI-UHFFFAOYSA-N 0 0 428.473 4.079 50 0 IIAARN Cc1cc(C)cc(C[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]2C)c1 ZINC000034855255 568867415 /nfs/dbraw/zinc/86/74/15/568867415.db2.gz VQBWNNHCOUAYLK-RDTXWAMCSA-N 0 0 433.289 4.276 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H]3c3nnc4ccccn43)c12 ZINC000012939144 568867988 /nfs/dbraw/zinc/86/79/88/568867988.db2.gz BYQMBCVEADRKTD-LJQANCHMSA-N 0 0 442.454 4.357 50 0 IIAARN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000016042250 568868228 /nfs/dbraw/zinc/86/82/28/568868228.db2.gz MTHQIRFWDQUMGZ-CQSZACIVSA-N 0 0 441.933 4.307 50 0 IIAARN CSCc1nnc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)o1 ZINC000012939963 568868393 /nfs/dbraw/zinc/86/83/93/568868393.db2.gz IEIIVGRUGZGPQO-INIZCTEOSA-N 0 0 428.539 4.304 50 0 IIAARN CSCc1nnc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)o1 ZINC000012939954 568868408 /nfs/dbraw/zinc/86/84/08/568868408.db2.gz IEIIVGRUGZGPQO-MRXNPFEDSA-N 0 0 428.539 4.304 50 0 IIAARN COc1cccc(-c2nc(COC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cs2)c1OC ZINC000012942772 568870057 /nfs/dbraw/zinc/87/00/57/568870057.db2.gz JZPOHWMRMGVBGQ-MRXNPFEDSA-N 0 0 442.468 4.136 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012942241 568870145 /nfs/dbraw/zinc/87/01/45/568870145.db2.gz ZYIPOLRVWUWNHV-QHCPKHFHSA-N 0 0 426.532 4.157 50 0 IIAARN CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000012945402 568870901 /nfs/dbraw/zinc/87/09/01/568870901.db2.gz WZDLOZAWWPEEEV-UHFFFAOYSA-N 0 0 443.503 4.173 50 0 IIAARN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OC(C)=O ZINC000016193492 568872583 /nfs/dbraw/zinc/87/25/83/568872583.db2.gz LQVNOIKOLDOXCV-GRSHGNNSSA-N 0 0 442.924 4.051 50 0 IIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000016226259 568873443 /nfs/dbraw/zinc/87/34/43/568873443.db2.gz HYRZGUUYIPRTML-UHFFFAOYSA-N 0 0 435.299 4.404 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000053517373 568876464 /nfs/dbraw/zinc/87/64/64/568876464.db2.gz WHVZHYBQARIWIF-XMMPIXPASA-N 0 0 444.510 4.486 50 0 IIAARN Cc1nn(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1-c1ccsc1 ZINC000575614972 568881047 /nfs/dbraw/zinc/88/10/47/568881047.db2.gz LMMLAAVJYDMCBA-UHFFFAOYSA-N 0 0 429.489 4.226 50 0 IIAARN Cc1nn(CCNS(=O)(=O)c2ccccc2OC(F)(F)F)c(C)c1-c1ccsc1 ZINC000575615106 568881149 /nfs/dbraw/zinc/88/11/49/568881149.db2.gz MIMITLCYYHBCII-UHFFFAOYSA-N 0 0 445.488 4.106 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)n1nc(-c2ccccc2)ccc1=O ZINC000575620825 568882984 /nfs/dbraw/zinc/88/29/84/568882984.db2.gz SYSUXDJMVGKQAY-SFHVURJKSA-N 0 0 439.519 4.310 50 0 IIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2C[C@@H]1C ZINC000229638916 568886730 /nfs/dbraw/zinc/88/67/30/568886730.db2.gz LUSZGLKZRUGRMM-XOBRGWDASA-N 0 0 441.578 4.120 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 ZINC000090582994 568888289 /nfs/dbraw/zinc/88/82/89/568888289.db2.gz KVYFONBFJTWAJY-UHFFFAOYSA-N 0 0 432.567 4.432 50 0 IIAARN Cc1c(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccc1 ZINC000090607531 568889873 /nfs/dbraw/zinc/88/98/73/568889873.db2.gz MBHBQZNXJYNGOS-UHFFFAOYSA-N 0 0 430.430 4.278 50 0 IIAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607517 568889876 /nfs/dbraw/zinc/88/98/76/568889876.db2.gz RCOJGJLIVUEXGI-UHFFFAOYSA-N 0 0 430.430 4.029 50 0 IIAARN COc1ccc(CCN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000006328173 568892685 /nfs/dbraw/zinc/89/26/85/568892685.db2.gz MBQLPFMPXRVWOX-UHFFFAOYSA-N 0 0 446.956 4.186 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2CC ZINC000006346357 568893059 /nfs/dbraw/zinc/89/30/59/568893059.db2.gz WJXAWMHDYLJACP-UHFFFAOYSA-N 0 0 431.583 4.062 50 0 IIAARN O=C(CCCNC(=O)c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012981740 568894510 /nfs/dbraw/zinc/89/45/10/568894510.db2.gz GJSPVGCNNICADB-UHFFFAOYSA-N 0 0 447.604 4.192 50 0 IIAARN CCCNC(=O)[C@@H](C)Sc1nc2sc(C)c(CC)c2c(=O)n1-c1ccc(OC)cc1 ZINC000012982105 568894637 /nfs/dbraw/zinc/89/46/37/568894637.db2.gz HFHZPMSKJIRRRD-CQSZACIVSA-N 0 0 445.610 4.333 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012986549 568894999 /nfs/dbraw/zinc/89/49/99/568894999.db2.gz XQKRVMZIDUGYPF-UHFFFAOYSA-N 0 0 434.489 4.026 50 0 IIAARN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000031108994 568895760 /nfs/dbraw/zinc/89/57/60/568895760.db2.gz MAXNUCOZRABISD-HMMYKYKNSA-N 0 0 436.577 4.015 50 0 IIAARN COc1cccc(N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)c1 ZINC000036397567 568896413 /nfs/dbraw/zinc/89/64/13/568896413.db2.gz VICFZHKEDJJPCF-JLHYYAGUSA-N 0 0 429.520 4.031 50 0 IIAARN Cc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1C ZINC000040079527 568896511 /nfs/dbraw/zinc/89/65/11/568896511.db2.gz BRFKOVUNBJZJLJ-NTCAYCPXSA-N 0 0 429.520 4.388 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000012999070 568897886 /nfs/dbraw/zinc/89/78/86/568897886.db2.gz AFYMZMIBHDTREM-INIZCTEOSA-N 0 0 437.565 4.198 50 0 IIAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)OCC(=O)N1CCCCC1 ZINC000012999392 568898216 /nfs/dbraw/zinc/89/82/16/568898216.db2.gz GZZONDKEGWXGCU-UHFFFAOYSA-N 0 0 430.504 4.190 50 0 IIAARN Cc1ccnn1-c1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000013007817 568899583 /nfs/dbraw/zinc/89/95/83/568899583.db2.gz KHNQPSDFNUVBNJ-UHFFFAOYSA-N 0 0 449.514 4.260 50 0 IIAARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)C(C)C ZINC000016435976 568900770 /nfs/dbraw/zinc/90/07/70/568900770.db2.gz YRJYRVZNICSTBA-UHFFFAOYSA-N 0 0 442.604 4.246 50 0 IIAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000001792154 568908020 /nfs/dbraw/zinc/90/80/20/568908020.db2.gz OWBKGCVVDYCSIL-MRXNPFEDSA-N 0 0 445.504 4.472 50 0 IIAARN Cc1ccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cc1F ZINC000016472575 568908576 /nfs/dbraw/zinc/90/85/76/568908576.db2.gz GONMTJQCYYEOAU-UHFFFAOYSA-N 0 0 449.935 4.199 50 0 IIAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000135943963 568908914 /nfs/dbraw/zinc/90/89/14/568908914.db2.gz 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CCN1c2ccc(CNC(=O)c3cccc(OC)c3OC)cc2Sc2ncccc2C1=O ZINC000064759586 568952065 /nfs/dbraw/zinc/95/20/65/568952065.db2.gz YXFNYQOMLFHFRY-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN COCC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006695765 568952428 /nfs/dbraw/zinc/95/24/28/568952428.db2.gz DFKOYSCZNPDFIF-UHFFFAOYSA-N 0 0 425.573 4.303 50 0 IIAARN COc1cccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103768 568953027 /nfs/dbraw/zinc/95/30/27/568953027.db2.gz DIULGXIURFDXRP-NRFANRHFSA-N 0 0 429.488 4.016 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000036115774 568955624 /nfs/dbraw/zinc/95/56/24/568955624.db2.gz VDUSIFSIGJJSJC-LJQANCHMSA-N 0 0 432.973 4.307 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)C1CC1 ZINC000036118582 568955932 /nfs/dbraw/zinc/95/59/32/568955932.db2.gz KQDWQKGTRYGQQR-HXUWFJFHSA-N 0 0 426.582 4.128 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cc(C)cc(C)c4)c(=O)n23)c1 ZINC000064788050 568956463 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CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000170616354 569146753 /nfs/dbraw/zinc/14/67/53/569146753.db2.gz DEZRERUCYQPNSH-GFCCVEGCSA-N 0 0 448.342 4.081 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000170623137 569148263 /nfs/dbraw/zinc/14/82/63/569148263.db2.gz NAOMNNOMAGYQGV-KRWDZBQOSA-N 0 0 426.586 4.284 50 0 IIAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)[nH]n1 ZINC000071009426 569149221 /nfs/dbraw/zinc/14/92/21/569149221.db2.gz GOHXFCUCRVPYOV-UHFFFAOYSA-N 0 0 434.540 4.227 50 0 IIAARN Cc1nc2cc(F)cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2nc1C ZINC000071186109 569149343 /nfs/dbraw/zinc/14/93/43/569149343.db2.gz HESWIFKIEYEIOD-CHWSQXEVSA-N 0 0 426.467 4.391 50 0 IIAARN CCOc1cc2c(cc1CS[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1)O[C@H](C)C2 ZINC000009882818 569149829 /nfs/dbraw/zinc/14/98/29/569149829.db2.gz TTYCSDIVFFQWDU-HZPDHXFCSA-N 0 0 445.581 4.364 50 0 IIAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCCC2 ZINC000071288603 569151034 /nfs/dbraw/zinc/15/10/34/569151034.db2.gz AWCFKMVWHISPBG-DNVCBOLYSA-N 0 0 442.585 4.364 50 0 IIAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCCC2 ZINC000071288605 569151046 /nfs/dbraw/zinc/15/10/46/569151046.db2.gz AWCFKMVWHISPBG-HNAYVOBHSA-N 0 0 442.585 4.364 50 0 IIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000010218683 569153522 /nfs/dbraw/zinc/15/35/22/569153522.db2.gz BSWLVGCGYLKLTN-UHFFFAOYSA-N 0 0 449.532 4.431 50 0 IIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000010218723 569153594 /nfs/dbraw/zinc/15/35/94/569153594.db2.gz JBWMVIFTFWHSAR-UHFFFAOYSA-N 0 0 449.532 4.431 50 0 IIAARN CC1(C)Cc2nc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)sc2C(=O)C1 ZINC000010219045 569153614 /nfs/dbraw/zinc/15/36/14/569153614.db2.gz NUTUNKXJRSRWOX-UHFFFAOYSA-N 0 0 440.974 4.144 50 0 IIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(cccc3SC)s2)cc1 ZINC000010218817 569153632 /nfs/dbraw/zinc/15/36/32/569153632.db2.gz QAZAVLDLZTURLJ-UHFFFAOYSA-N 0 0 436.580 4.219 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000010219337 569153716 /nfs/dbraw/zinc/15/37/16/569153716.db2.gz SWDQQTHNYBKIHJ-UHFFFAOYSA-N 0 0 438.530 4.384 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000010219595 569153731 /nfs/dbraw/zinc/15/37/31/569153731.db2.gz VUKZDPPLXWPXRA-UHFFFAOYSA-N 0 0 445.910 4.298 50 0 IIAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)Nc1cccc2ccccc21 ZINC000010255555 569154109 /nfs/dbraw/zinc/15/41/09/569154109.db2.gz QJXXDFHTYBLBNH-GOSISDBHSA-N 0 0 449.576 4.185 50 0 IIAARN CC(C)c1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000013572400 569155652 /nfs/dbraw/zinc/15/56/52/569155652.db2.gz UVSSPPFEFMNCPT-AEFFLSMTSA-N 0 0 441.622 4.048 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000013654381 569156408 /nfs/dbraw/zinc/15/64/08/569156408.db2.gz LLNZGPOTFLSAEZ-UHFFFAOYSA-N 0 0 444.509 4.210 50 0 IIAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc4c(c3)OCO4)n2)cc1F ZINC000013654749 569156466 /nfs/dbraw/zinc/15/64/66/569156466.db2.gz JOKXVIMRHIRHJE-UHFFFAOYSA-N 0 0 444.509 4.476 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000014379408 569158809 /nfs/dbraw/zinc/15/88/09/569158809.db2.gz VHDSUCBYIBCAPL-INIZCTEOSA-N 0 0 428.863 4.473 50 0 IIAARN O=C(COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2)Nc1cccnc1Cl ZINC000014363913 569158831 /nfs/dbraw/zinc/15/88/31/569158831.db2.gz CICONPQEUDKKIG-UHFFFAOYSA-N 0 0 442.878 4.124 50 0 IIAARN Cc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000014389556 569158902 /nfs/dbraw/zinc/15/89/02/569158902.db2.gz FHWBBVUHBHTVDX-UHFFFAOYSA-N 0 0 425.510 4.053 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014399452 569159019 /nfs/dbraw/zinc/15/90/19/569159019.db2.gz RBCGQWFPXRUFSZ-UHFFFAOYSA-N 0 0 436.961 4.330 50 0 IIAARN Cc1cccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nc2-c2ccccc2)c1 ZINC000014609598 569159459 /nfs/dbraw/zinc/15/94/59/569159459.db2.gz DVTOKFZOWUJEPX-UHFFFAOYSA-N 0 0 441.510 4.344 50 0 IIAARN O=C(NCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000014629624 569159612 /nfs/dbraw/zinc/15/96/12/569159612.db2.gz COHUPBVWKITLFA-UHFFFAOYSA-N 0 0 446.981 4.125 50 0 IIAARN CCOc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000016721727 569160293 /nfs/dbraw/zinc/16/02/93/569160293.db2.gz WCQJRYAHQXLNLH-RXVVDRJESA-N 0 0 440.540 4.027 50 0 IIAARN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Cn3ccccc3=O)o2)c1 ZINC000089669171 569161148 /nfs/dbraw/zinc/16/11/48/569161148.db2.gz FHLFQMYVETVAIT-XMMPIXPASA-N 0 0 442.515 4.174 50 0 IIAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000016837246 569162661 /nfs/dbraw/zinc/16/26/61/569162661.db2.gz KJBFMHXOKOTWCE-UHFFFAOYSA-N 0 0 434.502 4.326 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000016839661 569163000 /nfs/dbraw/zinc/16/30/00/569163000.db2.gz NURVJMRUQHHYMD-HXUWFJFHSA-N 0 0 449.931 4.423 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccccc2Cl)c2ccc(F)cc2)cc1 ZINC000016839665 569163033 /nfs/dbraw/zinc/16/30/33/569163033.db2.gz CUHYCZSERCPFCD-LJQANCHMSA-N 0 0 449.931 4.423 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1C ZINC000016839994 569163139 /nfs/dbraw/zinc/16/31/39/569163139.db2.gz XDLRLOKSCXACRC-UHFFFAOYSA-N 0 0 428.492 4.438 50 0 IIAARN CCCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)no4)ccn3n2)cc1 ZINC000016842309 569163460 /nfs/dbraw/zinc/16/34/60/569163460.db2.gz FZWCZRYLZMRBFS-UHFFFAOYSA-N 0 0 441.491 4.440 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2c(sc3cccc(F)c32)c1=O ZINC000016843806 569163670 /nfs/dbraw/zinc/16/36/70/569163670.db2.gz CVVQXRLXWOABGQ-UHFFFAOYSA-N 0 0 431.876 4.359 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1F ZINC000016846635 569163873 /nfs/dbraw/zinc/16/38/73/569163873.db2.gz CTTMTRLWVJXOSH-UHFFFAOYSA-N 0 0 430.486 4.133 50 0 IIAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904486 569167095 /nfs/dbraw/zinc/16/70/95/569167095.db2.gz MBQPGPZUXLWCPU-ADLMAVQZSA-N 0 0 430.291 4.342 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 ZINC000016954584 569167511 /nfs/dbraw/zinc/16/75/11/569167511.db2.gz VPUFBDLQUVTXRV-UHFFFAOYSA-N 0 0 428.535 4.151 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012015 569170510 /nfs/dbraw/zinc/17/05/10/569170510.db2.gz RYRCBGJZIGGHMG-HNNXBMFYSA-N 0 0 449.561 4.357 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)NC1CCCCC1 ZINC000037356194 569171732 /nfs/dbraw/zinc/17/17/32/569171732.db2.gz CCRZSELWENBEHG-MRXNPFEDSA-N 0 0 429.952 4.475 50 0 IIAARN C[C@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356637 569172291 /nfs/dbraw/zinc/17/22/91/569172291.db2.gz AXMHEAJJGUEMCT-HNNXBMFYSA-N 0 0 426.879 4.412 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3nccn3Cc3ccc4c(c3)OCO4)sc2c1 ZINC000017122136 569174251 /nfs/dbraw/zinc/17/42/51/569174251.db2.gz HNUVTNFFQOPZFP-UHFFFAOYSA-N 0 0 438.534 4.309 50 0 IIAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017170040 569175423 /nfs/dbraw/zinc/17/54/23/569175423.db2.gz NWEAVTROQWJPFG-MRXNPFEDSA-N 0 0 441.983 4.173 50 0 IIAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(Br)c1 ZINC000017178027 569175512 /nfs/dbraw/zinc/17/55/12/569175512.db2.gz ZOAIKQIIOKANFF-UHFFFAOYSA-N 0 0 445.317 4.332 50 0 IIAARN CC(C)c1ccc(OCc2nnc(SCc3cn4cc(Cl)ccc4n3)n2N)cc1 ZINC000017190873 569175863 /nfs/dbraw/zinc/17/58/63/569175863.db2.gz OQHDBZWLHCXUGO-UHFFFAOYSA-N 0 0 428.949 4.288 50 0 IIAARN CC(C)COC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000000849564 569176312 /nfs/dbraw/zinc/17/63/12/569176312.db2.gz SBIIPIYVHGZREK-USCONSEESA-N 0 0 430.526 4.023 50 0 biogenic IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000001061320 569176565 /nfs/dbraw/zinc/17/65/65/569176565.db2.gz LEOQSWUWWILKFL-ZDUSSCGKSA-N 0 0 446.878 4.398 50 0 IIAARN O=C(CNC(=O)c1cccs1)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000001079334 569176666 /nfs/dbraw/zinc/17/66/66/569176666.db2.gz SSNJIBJJVZRSFL-UHFFFAOYSA-N 0 0 429.881 4.094 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001113609 569176740 /nfs/dbraw/zinc/17/67/40/569176740.db2.gz ABVGLMWYMINGRZ-UHFFFAOYSA-N 0 0 426.428 4.289 50 0 IIAARN CCc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000002079181 569177067 /nfs/dbraw/zinc/17/70/67/569177067.db2.gz NLFOGLIPHGRESB-HXUWFJFHSA-N 0 0 446.341 4.192 50 0 IIAARN Cc1ccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001785953 569177109 /nfs/dbraw/zinc/17/71/09/569177109.db2.gz HCIPJVPRAWRRHV-UHFFFAOYSA-N 0 0 436.468 4.017 50 0 IIAARN O=C(N[C@@H](C(=O)Oc1ccc2ccc(=O)oc2c1)c1ccccc1)OCc1ccccc1 ZINC000002093907 569179057 /nfs/dbraw/zinc/17/90/57/569179057.db2.gz XFLVOZLOPPWUQG-HSZRJFAPSA-N 0 0 429.428 4.366 50 0 biogenic IIAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(Sc3ccccc3Cl)nn1)CC2 ZINC000170639238 569179633 /nfs/dbraw/zinc/17/96/33/569179633.db2.gz LSSLJJXFAMOPLC-UHFFFAOYSA-N 0 0 441.940 4.497 50 0 IIAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N23)cc1 ZINC000002103428 569180026 /nfs/dbraw/zinc/18/00/26/569180026.db2.gz SXXXIGSAYLWYKZ-RPLLCQBOSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN O=C1Nc2ccc(Br)cc2[C@@]12Nc1ccccc1-c1nc(-c3ccccc3)nn12 ZINC000170640361 569180250 /nfs/dbraw/zinc/18/02/50/569180250.db2.gz UUAZHERCXKOESB-QFIPXVFZSA-N 0 0 444.292 4.453 50 0 IIAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000002382716 569180808 /nfs/dbraw/zinc/18/08/08/569180808.db2.gz OJUKGEQWZNLRPI-UHFFFAOYSA-N 0 0 435.521 4.366 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(Cl)cc12 ZINC000002109248 569181803 /nfs/dbraw/zinc/18/18/03/569181803.db2.gz PFSKGLGIQLSKPU-MZNJEOGPSA-N 0 0 447.959 4.321 50 0 biogenic IIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@H](C)CC)CC(=O)N12 ZINC000002108961 569181855 /nfs/dbraw/zinc/18/18/55/569181855.db2.gz BNTTYFAVKISXRJ-YFLQWDEBSA-N 0 0 431.536 4.050 50 0 biogenic IIAARN O=C1CN(Cc2cccs2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002118190 569182711 /nfs/dbraw/zinc/18/27/11/569182711.db2.gz FYKYBZMTZPHBBR-URXFXBBRSA-N 0 0 427.529 4.115 50 0 biogenic IIAARN O=C1CN(CCc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002147257 569186924 /nfs/dbraw/zinc/18/69/24/569186924.db2.gz KYHBISXJTPXEIN-RPLLCQBOSA-N 0 0 435.527 4.096 50 0 biogenic IIAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCC3)CC(=O)N21 ZINC000002159271 569187789 /nfs/dbraw/zinc/18/77/89/569187789.db2.gz BDBPXXGUCDUYOI-OZXSUGGESA-N 0 0 427.548 4.494 50 0 biogenic IIAARN CC(C)[C@@](C)(O)c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000252496660 569187959 /nfs/dbraw/zinc/18/79/59/569187959.db2.gz PODOHOKUOIJSJG-IFXJQAMLSA-N 0 0 445.438 4.446 50 0 IIAARN CC(C)[C@](C)(O)c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000252496661 569187968 /nfs/dbraw/zinc/18/79/68/569187968.db2.gz PODOHOKUOIJSJG-KUHUBIRLSA-N 0 0 445.438 4.446 50 0 IIAARN CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2ccccc2[nH]1 ZINC000252499977 569188010 /nfs/dbraw/zinc/18/80/10/569188010.db2.gz SKTXFCLGWQPUEU-DYESRHJHSA-N 0 0 438.959 4.468 50 0 IIAARN O=C(Cc1ccc2c(c1)OCCCO2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252509118 569188442 /nfs/dbraw/zinc/18/84/42/569188442.db2.gz YCSZVVNGSYQPNR-QFIPXVFZSA-N 0 0 427.504 4.367 50 0 IIAARN O=C(Cc1ccc2c(c1)OCCCO2)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252509117 569188508 /nfs/dbraw/zinc/18/85/08/569188508.db2.gz YCSZVVNGSYQPNR-JOCHJYFZSA-N 0 0 427.504 4.367 50 0 IIAARN COc1ccc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000524731184 569188614 /nfs/dbraw/zinc/18/86/14/569188614.db2.gz MWIZYUUFLUMFOM-QHCPKHFHSA-N 0 0 445.519 4.212 50 0 biogenic IIAARN CC(C)C[C@H](C(=O)N[C@@H](c1nc2ccccc2n1C)C(C)C)N1Cc2ccccc2C1=O ZINC000252523293 569189628 /nfs/dbraw/zinc/18/96/28/569189628.db2.gz CGUKTVIHRGGZEK-DHIUTWEWSA-N 0 0 432.568 4.457 50 0 IIAARN COCCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002193830 569190809 /nfs/dbraw/zinc/19/08/09/569190809.db2.gz KTDYKSDFVYBMCX-UHFFFAOYSA-N 0 0 431.279 4.266 50 0 IIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002198818 569191455 /nfs/dbraw/zinc/19/14/55/569191455.db2.gz HFKXHOCVMVTLCP-MRXNPFEDSA-N 0 0 436.899 4.204 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 ZINC000002208133 569193771 /nfs/dbraw/zinc/19/37/71/569193771.db2.gz DXHYXESTVXMGBY-UHFFFAOYSA-N 0 0 427.478 4.411 50 0 IIAARN CC(C)CC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037399889 569194789 /nfs/dbraw/zinc/19/47/89/569194789.db2.gz FWHUSDOGRJOWLQ-FQEVSTJZSA-N 0 0 449.544 4.147 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)CC(C)C)C(C)C)ccc2OC)cc1 ZINC000037400689 569195001 /nfs/dbraw/zinc/19/50/01/569195001.db2.gz BBEMGOWZXSQCIQ-UHFFFAOYSA-N 0 0 449.569 4.255 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000037401182 569195112 /nfs/dbraw/zinc/19/51/12/569195112.db2.gz CMQOUZGLSTXPPI-KRWDZBQOSA-N 0 0 434.558 4.181 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000037407923 569195245 /nfs/dbraw/zinc/19/52/45/569195245.db2.gz JNMJINUQILPZAY-RTGAMMJTSA-N 0 0 442.563 4.257 50 0 IIAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)COC ZINC000037424119 569195522 /nfs/dbraw/zinc/19/55/22/569195522.db2.gz CTZKQJOANRNOTM-CQSZACIVSA-N 0 0 443.924 4.020 50 0 IIAARN CC(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CC1 ZINC000037425235 569195638 /nfs/dbraw/zinc/19/56/38/569195638.db2.gz LYCJTVFDKICPNO-OAQYLSRUSA-N 0 0 434.367 4.374 50 0 IIAARN CC(C)NC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000037435682 569196140 /nfs/dbraw/zinc/19/61/40/569196140.db2.gz GDVVOYIZGLXLND-PLRJNAJWSA-N 0 0 437.443 4.089 50 0 IIAARN O=C(CCN(C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1)C1CC1)NC1CC1 ZINC000037437177 569196228 /nfs/dbraw/zinc/19/62/28/569196228.db2.gz QBURTLRYJRFNEN-UHFFFAOYSA-N 0 0 439.368 4.467 50 0 IIAARN COCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)N(C)Cc2ccccc2)c1 ZINC000037600983 569202245 /nfs/dbraw/zinc/20/22/45/569202245.db2.gz PWUHQQGAFMDHFR-UHFFFAOYSA-N 0 0 430.548 4.376 50 0 IIAARN COc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1OC ZINC000002216968 569203788 /nfs/dbraw/zinc/20/37/88/569203788.db2.gz SFIPFDUQWKFBAE-UHFFFAOYSA-N 0 0 445.523 4.236 50 0 IIAARN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000195587362 569204316 /nfs/dbraw/zinc/20/43/16/569204316.db2.gz FSOLQEBISVJJGG-LBPRGKRZSA-N 0 0 435.398 4.142 50 0 IIAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccccc2OC)cc1 ZINC000002224512 569204906 /nfs/dbraw/zinc/20/49/06/569204906.db2.gz ZWNCEKMEYOVQPX-UHFFFAOYSA-N 0 0 446.503 4.176 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 ZINC000003241236 569211314 /nfs/dbraw/zinc/21/13/14/569211314.db2.gz KROZPDMWPVTYAZ-UHFFFAOYSA-N 0 0 427.533 4.319 50 0 IIAARN COCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2cc(C(=O)OC)ccc2c1=O ZINC000002969783 569212978 /nfs/dbraw/zinc/21/29/78/569212978.db2.gz INFUSZGZABKIDU-UHFFFAOYSA-N 0 0 440.565 4.419 50 0 IIAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002244472 569213849 /nfs/dbraw/zinc/21/38/49/569213849.db2.gz DJFVOCIMTPWHOU-UHFFFAOYSA-N 0 0 439.494 4.479 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC(C)(C)OC4)cc1 ZINC000002247288 569214577 /nfs/dbraw/zinc/21/45/77/569214577.db2.gz RNJKLYACXRAYDS-UHFFFAOYSA-N 0 0 442.566 4.058 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000002260978 569215654 /nfs/dbraw/zinc/21/56/54/569215654.db2.gz AWIUCVZCBWPXQG-AABCQZNVSA-N 0 0 445.544 4.361 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)c1ccccc1I ZINC000027503834 569216129 /nfs/dbraw/zinc/21/61/29/569216129.db2.gz JKTOAPHETICQCG-UHFFFAOYSA-N 0 0 430.083 4.326 50 0 IIAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000002264908 569216215 /nfs/dbraw/zinc/21/62/15/569216215.db2.gz OFKWEXJJYVBGMF-TZIWHRDSSA-N 0 0 429.582 4.102 50 0 IIAARN Nc1nc(SCCCCN2C(=O)c3ccccc3C2=O)nc2sc3c(c21)CCCC3 ZINC000002269967 569217281 /nfs/dbraw/zinc/21/72/81/569217281.db2.gz OAVSZGWXKFUPDU-UHFFFAOYSA-N 0 0 438.578 4.321 50 0 IIAARN CCOC(=O)C1C(Nc2ccc(C)cc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000032106509 569257476 /nfs/dbraw/zinc/25/74/76/569257476.db2.gz KYSRVHAIFGMNEQ-KJOQGJGQSA-N 0 0 437.536 4.342 50 0 IIAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253412879 569265883 /nfs/dbraw/zinc/26/58/83/569265883.db2.gz SJMKRGKUWJWJMR-IAGYGMIVSA-N 0 0 447.004 4.041 50 0 biogenic IIAARN CC(C)c1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C ZINC000253424201 569267116 /nfs/dbraw/zinc/26/71/16/569267116.db2.gz BSSLNKFWQPUULB-IBGZPJMESA-N 0 0 427.549 4.369 50 0 IIAARN CCCCCCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002294388 569268147 /nfs/dbraw/zinc/26/81/47/569268147.db2.gz PERNQRUDGXQLFO-UHFFFAOYSA-N 0 0 445.523 4.406 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000002299162 569268368 /nfs/dbraw/zinc/26/83/68/569268368.db2.gz XRFXRKZOEQMYJV-LBPRGKRZSA-N 0 0 426.567 4.340 50 0 IIAARN COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000002330426 569274556 /nfs/dbraw/zinc/27/45/56/569274556.db2.gz KWZCKGNKICTBKE-NRFANRHFSA-N 0 0 431.444 4.462 50 0 IIAARN O=C(Nc1ccc(F)cc1Br)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472238 569282678 /nfs/dbraw/zinc/28/26/78/569282678.db2.gz KVDMSTJIOSNDSK-UHFFFAOYSA-N 0 0 429.673 4.447 50 0 IIAARN COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002352802 569284312 /nfs/dbraw/zinc/28/43/12/569284312.db2.gz YORMRLCHQGPMPR-LBPRGKRZSA-N 0 0 440.887 4.010 50 0 IIAARN Cc1ccc(N2C(=O)C3=C(C2=O)C(C)=C[C@H]([C@H]2CC(=O)N(c4ccc(C)cc4)C2=O)C3)cc1 ZINC000002356884 569285930 /nfs/dbraw/zinc/28/59/30/569285930.db2.gz GJLNBYTWJXMIQK-GHTZIAJQSA-N 0 0 440.499 4.019 50 0 IIAARN CC[C@H](C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002371789 569289134 /nfs/dbraw/zinc/28/91/34/569289134.db2.gz CBNDCRITJJLAHN-AWEZNQCLSA-N 0 0 432.480 4.147 50 0 IIAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(OCC)c3)n2N)cc1 ZINC000002372440 569289243 /nfs/dbraw/zinc/28/92/43/569289243.db2.gz DHWKAVAACMXTNW-UHFFFAOYSA-N 0 0 425.558 4.131 50 0 IIAARN CC[C@@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 ZINC000002377972 569289540 /nfs/dbraw/zinc/28/95/40/569289540.db2.gz FUYBFPJIZLOSBF-OAHLLOKOSA-N 0 0 448.523 4.382 50 0 IIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)C1 ZINC000009445313 569296438 /nfs/dbraw/zinc/29/64/38/569296438.db2.gz GPCVGTVVOGQWCE-INIZCTEOSA-N 0 0 441.578 4.483 50 0 IIAARN Brc1ccc(-c2nnc3sc(-c4cncc(Br)c4)nn32)cc1 ZINC000009486824 569296677 /nfs/dbraw/zinc/29/66/77/569296677.db2.gz KDGJGPOVUHYTIP-UHFFFAOYSA-N 0 0 437.120 4.440 50 0 IIAARN Cc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1C1CC1 ZINC000009502945 569296886 /nfs/dbraw/zinc/29/68/86/569296886.db2.gz QOTOOCJEEITCEL-FPYGCLRLSA-N 0 0 435.524 4.059 50 0 IIAARN CCCCCNC(=O)c1c(N)n(Cc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002397860 569298590 /nfs/dbraw/zinc/29/85/90/569298590.db2.gz YVRIKKBLSYHLJL-UHFFFAOYSA-N 0 0 447.539 4.152 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 ZINC000010568293 569300587 /nfs/dbraw/zinc/30/05/87/569300587.db2.gz SYSAQJPDFARWFF-MDWZMJQESA-N 0 0 426.582 4.101 50 0 IIAARN COc1ccc(C)cc1-n1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 ZINC000002411755 569301061 /nfs/dbraw/zinc/30/10/61/569301061.db2.gz ATIHNFLIKWWWQI-UHFFFAOYSA-N 0 0 447.539 4.018 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1C[C@H]1CCCO1 ZINC000002414736 569301343 /nfs/dbraw/zinc/30/13/43/569301343.db2.gz JHSXLLRMDVIMQX-DNVCBOLYSA-N 0 0 440.293 4.280 50 0 IIAARN CN(C)c1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002424631 569302298 /nfs/dbraw/zinc/30/22/98/569302298.db2.gz YLPSUBMHAJVNKS-UHFFFAOYSA-N 0 0 430.552 4.058 50 0 IIAARN O=C(/C=C/c1ccc(Br)s1)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011574786 569302489 /nfs/dbraw/zinc/30/24/89/569302489.db2.gz FSDQMPNDXUZWDV-FNORWQNLSA-N 0 0 433.249 4.455 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCOC)ccc1O ZINC000002441532 569304164 /nfs/dbraw/zinc/30/41/64/569304164.db2.gz SLDVANOIYMNVOL-HXUWFJFHSA-N 0 0 443.883 4.051 50 0 IIAARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1c(Cl)cccc1Cl ZINC000012950499 569305114 /nfs/dbraw/zinc/30/51/14/569305114.db2.gz YZMXTPZEWPAJGI-CQSZACIVSA-N 0 0 434.300 4.436 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)CC1 ZINC000013008850 569306605 /nfs/dbraw/zinc/30/66/05/569306605.db2.gz QIYLQRHCERZRJV-UHFFFAOYSA-N 0 0 445.566 4.005 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 ZINC000013010149 569306772 /nfs/dbraw/zinc/30/67/72/569306772.db2.gz ZUWBKISRXZHYTI-UHFFFAOYSA-N 0 0 448.552 4.386 50 0 IIAARN Cc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)nn2)c(C)c1C ZINC000013010073 569306774 /nfs/dbraw/zinc/30/67/74/569306774.db2.gz KNNFUKGVTBNBPZ-UHFFFAOYSA-N 0 0 448.552 4.440 50 0 IIAARN O=C(COC(=O)COc1ccc(C2SCCCS2)cc1)Nc1cccnc1Cl ZINC000013015197 569307036 /nfs/dbraw/zinc/30/70/36/569307036.db2.gz BDHUSWVUOYIMLO-UHFFFAOYSA-N 0 0 438.958 4.164 50 0 IIAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cc1 ZINC000013057406 569308424 /nfs/dbraw/zinc/30/84/24/569308424.db2.gz RNJMVMWBPGBZFX-UHFFFAOYSA-N 0 0 427.570 4.022 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013072220 569309006 /nfs/dbraw/zinc/30/90/06/569309006.db2.gz WDIGEYPRSFVZGF-MRXNPFEDSA-N 0 0 436.961 4.311 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000013108810 569310235 /nfs/dbraw/zinc/31/02/35/569310235.db2.gz ALOOMBBVEMCTPE-UHFFFAOYSA-N 0 0 432.553 4.324 50 0 IIAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(N2CCCCCC2)cc1 ZINC000013126170 569311163 /nfs/dbraw/zinc/31/11/63/569311163.db2.gz AKPJUJRLYSKMMB-UHFFFAOYSA-N 0 0 442.976 4.427 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)cc1C ZINC000013137415 569311480 /nfs/dbraw/zinc/31/14/80/569311480.db2.gz FKOQUFBNAMYANH-DEOSSOPVSA-N 0 0 440.609 4.431 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000013351852 569313305 /nfs/dbraw/zinc/31/33/05/569313305.db2.gz DZSQKXOHYHHQTE-UHFFFAOYSA-N 0 0 433.552 4.158 50 0 IIAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013351800 569313329 /nfs/dbraw/zinc/31/33/29/569313329.db2.gz CEFXLQKHCKJQAK-MRXNPFEDSA-N 0 0 441.959 4.359 50 0 IIAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000013354591 569313456 /nfs/dbraw/zinc/31/34/56/569313456.db2.gz PYOFLDHMQZUPBC-UHFFFAOYSA-N 0 0 434.565 4.048 50 0 IIAARN Cc1ccccc1CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355241 569313501 /nfs/dbraw/zinc/31/35/01/569313501.db2.gz XFSGRSJXTKXTRJ-UHFFFAOYSA-N 0 0 434.561 4.377 50 0 IIAARN O=C(NCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013355320 569313577 /nfs/dbraw/zinc/31/35/77/569313577.db2.gz RSQRXUAULBFVCB-UHFFFAOYSA-N 0 0 434.561 4.458 50 0 IIAARN CCc1nn2c(nc(COc3ccc(NC(=O)[C@H](CC)c4ccccc4)cc3)cc2=O)s1 ZINC000013368172 569314573 /nfs/dbraw/zinc/31/45/73/569314573.db2.gz GQAJGJUFQRHTER-HXUWFJFHSA-N 0 0 448.548 4.425 50 0 IIAARN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc(SCc2cccnc2)cc1 ZINC000328592956 569317285 /nfs/dbraw/zinc/31/72/85/569317285.db2.gz GNXQNGCFBFWTFF-ROUUACIJSA-N 0 0 425.598 4.481 50 0 IIAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(-n2cncn2)c(F)c1)OCCO3 ZINC000078878041 569319810 /nfs/dbraw/zinc/31/98/10/569319810.db2.gz UKABAQCKYFOYPV-INIZCTEOSA-N 0 0 448.498 4.206 50 0 IIAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc(F)ccc3o2)c1 ZINC000078994808 569321642 /nfs/dbraw/zinc/32/16/42/569321642.db2.gz IFHNKUWLOFLLIF-UHFFFAOYSA-N 0 0 431.489 4.172 50 0 IIAARN Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C(F)F)c(Br)c1 ZINC000079017736 569322112 /nfs/dbraw/zinc/32/21/12/569322112.db2.gz CRKMQVYCLZNDMY-UHFFFAOYSA-N 0 0 444.301 4.023 50 0 IIAARN Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3nc(Cc4ccccc4)no3)c3c2CCC3)cc1 ZINC000079022587 569322467 /nfs/dbraw/zinc/32/24/67/569322467.db2.gz QHCKHGAXEXPYPJ-KRWDZBQOSA-N 0 0 427.508 4.134 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC000079049173 569323249 /nfs/dbraw/zinc/32/32/49/569323249.db2.gz CSRSDTGQMGDIDC-HSZRJFAPSA-N 0 0 433.943 4.287 50 0 IIAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000079050467 569323378 /nfs/dbraw/zinc/32/33/78/569323378.db2.gz IMXZJEZZMULJBO-LJQANCHMSA-N 0 0 430.570 4.384 50 0 IIAARN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000079056344 569323663 /nfs/dbraw/zinc/32/36/63/569323663.db2.gz ACYLIDPODNCMBJ-UHOSZYNNSA-N 0 0 431.363 4.304 50 0 IIAARN COCCOCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000079093969 569325197 /nfs/dbraw/zinc/32/51/97/569325197.db2.gz DXQGCJSXQQADSP-RTWAWAEBSA-N 0 0 432.358 4.244 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 ZINC000079479978 569330876 /nfs/dbraw/zinc/33/08/76/569330876.db2.gz YSFZQINJZDQLNB-UHFFFAOYSA-N 0 0 426.498 4.198 50 0 IIAARN Cc1ccc(COc2ccc(/C=c3\sc4nnc(-c5ccccc5)n4c3=O)cc2)cc1 ZINC000020059574 569332968 /nfs/dbraw/zinc/33/29/68/569332968.db2.gz FAFBICDURHIJTH-JCMHNJIXSA-N 0 0 425.513 4.253 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000020061956 569333095 /nfs/dbraw/zinc/33/30/95/569333095.db2.gz ICJDRCPFBVKNRS-QGZVFWFLSA-N 0 0 434.989 4.266 50 0 IIAARN CCn1cc(C(=O)N(C)c2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc2c1=O ZINC000020104578 569334179 /nfs/dbraw/zinc/33/41/79/569334179.db2.gz SRXRGRUGZJMUHW-UHFFFAOYSA-N 0 0 434.414 4.334 50 0 IIAARN Cc1cc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)c(Cl)cc1Cl ZINC000390829567 569354165 /nfs/dbraw/zinc/35/41/65/569354165.db2.gz ZUULCHQQDKAACH-KRWDZBQOSA-N 0 0 432.350 4.171 50 0 IIAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000094993103 569355818 /nfs/dbraw/zinc/35/58/18/569355818.db2.gz HAMDGLWCGKRKIN-MBSDFSHPSA-N 0 0 434.536 4.365 50 0 IIAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(Cl)c3C)c(C)o2)c1 ZINC000020241948 569358155 /nfs/dbraw/zinc/35/81/55/569358155.db2.gz ASQQCAVLAHQVNK-UHFFFAOYSA-N 0 0 448.928 4.174 50 0 IIAARN CC[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C ZINC000020242078 569358158 /nfs/dbraw/zinc/35/81/58/569358158.db2.gz UTVCIATWUAHSDF-HXUWFJFHSA-N 0 0 440.565 4.011 50 0 IIAARN CCN1c2cc(C(=O)N3CCc4ccccc4C3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000020242847 569358282 /nfs/dbraw/zinc/35/82/82/569358282.db2.gz XVVQPDRMTFHZRI-WJOKGBTCSA-N 0 0 430.529 4.032 50 0 IIAARN CCOc1ccc(-c2cc(CCCC(=O)NCCc3cc(OC)ccc3OC)no2)cc1 ZINC000020324407 569360408 /nfs/dbraw/zinc/36/04/08/569360408.db2.gz XTIFRYNKPVWBSS-UHFFFAOYSA-N 0 0 438.524 4.439 50 0 IIAARN COc1cc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1 ZINC000095349413 569361787 /nfs/dbraw/zinc/36/17/87/569361787.db2.gz YBTPZUQEEUPTGK-UHFFFAOYSA-N 0 0 434.492 4.048 50 0 IIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCc1ccccc1 ZINC000020384703 569362866 /nfs/dbraw/zinc/36/28/66/569362866.db2.gz TXXZVAUPUVAKHL-UHFFFAOYSA-N 0 0 432.549 4.430 50 0 IIAARN Cc1ccccc1CNC(=O)C1CCN(C(=O)c2cc3oc4ccccc4c3n2C)CC1 ZINC000020386374 569363134 /nfs/dbraw/zinc/36/31/34/569363134.db2.gz KUZGEEFHPKQZNQ-UHFFFAOYSA-N 0 0 429.520 4.402 50 0 IIAARN COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000095394053 569363517 /nfs/dbraw/zinc/36/35/17/569363517.db2.gz OBZCXKAMRSSOLF-UHFFFAOYSA-N 0 0 448.853 4.408 50 0 IIAARN CC[C@@H](C(=O)NCCc1ccccc1OC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020413565 569364170 /nfs/dbraw/zinc/36/41/70/569364170.db2.gz BXATWCLCTFELDT-SFHVURJKSA-N 0 0 435.549 4.238 50 0 IIAARN CC[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416822 569364529 /nfs/dbraw/zinc/36/45/29/569364529.db2.gz BVJJNFMNCIKFQO-PPYMLQMLSA-N 0 0 436.556 4.223 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000020416919 569364607 /nfs/dbraw/zinc/36/46/07/569364607.db2.gz YDIMEPSDXKLMMO-KRWDZBQOSA-N 0 0 428.492 4.206 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000095454893 569368353 /nfs/dbraw/zinc/36/83/53/569368353.db2.gz MXASZZPHVRUHCE-HXUWFJFHSA-N 0 0 430.512 4.077 50 0 IIAARN Fc1ccccc1-c1ccc(CN2CCN([C@@H]3CCN(CC(F)(F)F)C3)CC2)s1 ZINC000095457032 569368925 /nfs/dbraw/zinc/36/89/25/569368925.db2.gz ZKEHXZYESXMKOY-MRXNPFEDSA-N 0 0 427.511 4.308 50 0 IIAARN CCOc1cc(C(=O)Nc2cc(Cl)ncc2C)ccc1OCC(=O)N1CCCCC1 ZINC000095457248 569368948 /nfs/dbraw/zinc/36/89/48/569368948.db2.gz TVZQXQYSLXCHJS-UHFFFAOYSA-N 0 0 431.920 4.086 50 0 IIAARN CCOC(=O)C1(C)CCN(C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CC1 ZINC000095457857 569369083 /nfs/dbraw/zinc/36/90/83/569369083.db2.gz DLTICFMLMQLPAS-UHFFFAOYSA-N 0 0 447.535 4.353 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020508199 569369652 /nfs/dbraw/zinc/36/96/52/569369652.db2.gz KDQSRVCVKANYRI-UHVFKWDWSA-N 0 0 426.582 4.370 50 0 IIAARN COC(=O)C[C@@H](c1ccnn1C(C)C)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095476580 569373004 /nfs/dbraw/zinc/37/30/04/569373004.db2.gz DSICCJOYROZOLV-KRWDZBQOSA-N 0 0 428.510 4.110 50 0 IIAARN CC(C)n1ccc2c1cccc2NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095478386 569373521 /nfs/dbraw/zinc/37/35/21/569373521.db2.gz NYEQRDCFJROUHV-UHFFFAOYSA-N 0 0 425.554 4.262 50 0 IIAARN COc1ccc(-n2cnc3c2[C@@H](c2cc(OC)c(O)c(OC)c2)SCC(=O)N3)cc1 ZINC000095479320 569373658 /nfs/dbraw/zinc/37/36/58/569373658.db2.gz KXANCYOKLKXTEZ-HXUWFJFHSA-N 0 0 427.482 4.028 50 0 IIAARN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000095962739 569377104 /nfs/dbraw/zinc/37/71/04/569377104.db2.gz CPINLPOYENGMNE-AUUYWEPGSA-N 0 0 432.314 4.031 50 0 IIAARN Cc1cc(Br)cc(I)c1NCc1nc(C2CC2)no1 ZINC000096011645 569379924 /nfs/dbraw/zinc/37/99/24/569379924.db2.gz PZBKHLKXASQBEJ-UHFFFAOYSA-N 0 0 434.075 4.235 50 0 IIAARN O=C(/C=C\c1ccc(F)cc1)NCCN(CC(F)(F)F)C(=O)/C=C\c1ccc(F)cc1 ZINC000096035147 569380875 /nfs/dbraw/zinc/38/08/75/569380875.db2.gz OWJUJLDRAFGWSV-CBIKUMSCSA-N 0 0 438.396 4.199 50 0 IIAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2cccc(C(=O)NC(C)C)c2)c1 ZINC000096095951 569381102 /nfs/dbraw/zinc/38/11/02/569381102.db2.gz WWNBQSXGUNZLTE-LCUIJRPUSA-N 0 0 437.565 4.103 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099397 569381554 /nfs/dbraw/zinc/38/15/54/569381554.db2.gz DCOHKSVOFSRXGY-UHFFFAOYSA-N 0 0 425.472 4.103 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099911 569381821 /nfs/dbraw/zinc/38/18/21/569381821.db2.gz APSRLVXMLPNIIX-UHFFFAOYSA-N 0 0 443.978 4.175 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1c2cccn2CC(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000021368128 569381928 /nfs/dbraw/zinc/38/19/28/569381928.db2.gz JNMJINUQILPZAY-FRPAHBMMSA-N 0 0 442.563 4.257 50 0 IIAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 ZINC000096114316 569382753 /nfs/dbraw/zinc/38/27/53/569382753.db2.gz DIPKETFSIRQTSN-OFNKIYASSA-N 0 0 427.412 4.053 50 0 biogenic IIAARN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115725 569383535 /nfs/dbraw/zinc/38/35/35/569383535.db2.gz CVTHPLCAULCDES-QGZVFWFLSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COc1ccc2c(C)c(CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)oc2c1OC ZINC000096116432 569383788 /nfs/dbraw/zinc/38/37/88/569383788.db2.gz BNDJRZAZYLFLPB-NRFANRHFSA-N 0 0 449.507 4.051 50 0 biogenic IIAARN CSCC[C@H](NC(=O)CCn1ccc2c1cccc2Cl)c1nnc2ccccn21 ZINC000096116758 569383994 /nfs/dbraw/zinc/38/39/94/569383994.db2.gz COTCSJJDHADBJV-KRWDZBQOSA-N 0 0 427.961 4.338 50 0 IIAARN COc1cc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)ccc1O ZINC000096117940 569384424 /nfs/dbraw/zinc/38/44/24/569384424.db2.gz GZPWWKRZPMFDJC-GOSISDBHSA-N 0 0 446.326 4.124 50 0 IIAARN CCc1nc2ccc(C(=O)N3CC[C@@H](S(=O)(=O)c4ccc(Cl)cc4)C3)cc2s1 ZINC000096120132 569384924 /nfs/dbraw/zinc/38/49/24/569384924.db2.gz WPHPSGIXLJRIQV-MRXNPFEDSA-N 0 0 434.970 4.201 50 0 IIAARN CC(C)n1c(C[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nc2cccnc21 ZINC000096124990 569385633 /nfs/dbraw/zinc/38/56/33/569385633.db2.gz URQBSFXBWKJKDY-CQSZACIVSA-N 0 0 436.940 4.058 50 0 IIAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCc3ccccn3)c2)n1 ZINC000096211034 569386626 /nfs/dbraw/zinc/38/66/26/569386626.db2.gz MFHARVDORPVPBA-UHFFFAOYSA-N 0 0 433.581 4.257 50 0 IIAARN CN1c2cccnc2Sc2ccc(NC(=O)c3cncc(Br)c3)cc2C1=O ZINC000096231744 569387606 /nfs/dbraw/zinc/38/76/06/569387606.db2.gz BFQQYYZLTDTSLV-UHFFFAOYSA-N 0 0 441.310 4.233 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(Cl)cc2)c1=O ZINC000096280790 569389669 /nfs/dbraw/zinc/38/96/69/569389669.db2.gz ZGGLTTHWJYFFPO-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000096280536 569389695 /nfs/dbraw/zinc/38/96/95/569389695.db2.gz LVXCNKXVYNVAJN-ISKFKSNPSA-N 0 0 437.584 4.317 50 0 IIAARN CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC4CC4)o3)cc2[C@@H]1c1ccccc1 ZINC000096281191 569389847 /nfs/dbraw/zinc/38/98/47/569389847.db2.gz SAJVHVXOPWOVGO-SANMLTNESA-N 0 0 444.531 4.492 50 0 IIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccccc2OC)CC[C@@H]1c1ccccc1 ZINC000096281709 569390063 /nfs/dbraw/zinc/39/00/63/569390063.db2.gz HRLLJCRYRGDRPO-DHIUTWEWSA-N 0 0 437.584 4.317 50 0 IIAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(N)=O)c2)cc1 ZINC000096287161 569390295 /nfs/dbraw/zinc/39/02/95/569390295.db2.gz IYFSVKPDXDUFQR-UHFFFAOYSA-N 0 0 430.533 4.258 50 0 IIAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096317318 569393294 /nfs/dbraw/zinc/39/32/94/569393294.db2.gz MKEVEVNEGHHRHU-UHFFFAOYSA-N 0 0 432.568 4.438 50 0 IIAARN CCCS(=O)(=O)N1CCN(c2nc([C@@H](C)CC)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317310 569393364 /nfs/dbraw/zinc/39/33/64/569393364.db2.gz RBGFJDWVMJLDJL-IBGZPJMESA-N 0 0 444.645 4.060 50 0 IIAARN COc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(C)cc5)nn34)C2)cc1OC ZINC000096323848 569395480 /nfs/dbraw/zinc/39/54/80/569395480.db2.gz SCZOWYUCXNKZAJ-UHFFFAOYSA-N 0 0 449.536 4.374 50 0 IIAARN O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccc(Br)s1 ZINC000096331241 569396247 /nfs/dbraw/zinc/39/62/47/569396247.db2.gz PKWQIGZIFPAAIS-UHFFFAOYSA-N 0 0 448.429 4.130 50 0 IIAARN O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Br ZINC000096331237 569396296 /nfs/dbraw/zinc/39/62/96/569396296.db2.gz UVLNSTNQERAWOD-UHFFFAOYSA-N 0 0 442.400 4.069 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cc(C)cc(C)c1)C3 ZINC000096326910 569396324 /nfs/dbraw/zinc/39/63/24/569396324.db2.gz VDVZIDLPKVCSFM-UHFFFAOYSA-N 0 0 425.916 4.216 50 0 IIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(F)cc2)c1 ZINC000096335957 569396672 /nfs/dbraw/zinc/39/66/72/569396672.db2.gz GQQLTBLUASXPJX-OFNKIYASSA-N 0 0 431.419 4.472 50 0 IIAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NCc2cccc(Br)c2)n[nH]1 ZINC000096341435 569396792 /nfs/dbraw/zinc/39/67/92/569396792.db2.gz HSGVDRQAFGMQHA-UHFFFAOYSA-N 0 0 440.388 4.304 50 0 IIAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccc(Br)cc2)n[nH]1 ZINC000096341436 569396793 /nfs/dbraw/zinc/39/67/93/569396793.db2.gz KCPMRDNZRREWMX-UHFFFAOYSA-N 0 0 440.388 4.304 50 0 IIAARN CN(CCc1noc(-c2cc3ccccc3[nH]2)n1)C(=O)c1ccc(Br)cc1 ZINC000096349348 569397326 /nfs/dbraw/zinc/39/73/26/569397326.db2.gz IQINRACGZFYAAM-UHFFFAOYSA-N 0 0 425.286 4.295 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)cc1OC ZINC000096386240 569398371 /nfs/dbraw/zinc/39/83/71/569398371.db2.gz LFMBWKXQRZFZHS-QGZVFWFLSA-N 0 0 430.504 4.284 50 0 IIAARN O=C(NCc1cc(F)ccc1F)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000096386323 569398459 /nfs/dbraw/zinc/39/84/59/569398459.db2.gz LQDCAIZBRBAPDC-UHFFFAOYSA-N 0 0 448.926 4.331 50 0 IIAARN O=C(NCc1cc(F)cc(F)c1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000096386357 569398554 /nfs/dbraw/zinc/39/85/54/569398554.db2.gz YCKAQEUBKBBSBD-UHFFFAOYSA-N 0 0 448.926 4.331 50 0 IIAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]n2)c1 ZINC000096386818 569398784 /nfs/dbraw/zinc/39/87/84/569398784.db2.gz DVGHZQOGSPJENF-UHFFFAOYSA-N 0 0 434.496 4.268 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1 ZINC000096397063 569399316 /nfs/dbraw/zinc/39/93/16/569399316.db2.gz GQLRVCGTXHYIAX-UHFFFAOYSA-N 0 0 426.517 4.029 50 0 IIAARN O=C(Nc1ccccc1Br)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000096398134 569399578 /nfs/dbraw/zinc/39/95/78/569399578.db2.gz NQHVJYRFRXAZDD-UHFFFAOYSA-N 0 0 426.318 4.193 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2cccc(Cl)c2)cc(OC)c1OC ZINC000096398949 569399823 /nfs/dbraw/zinc/39/98/23/569399823.db2.gz SVULEOXXNVROFW-UHFFFAOYSA-N 0 0 431.876 4.082 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC ZINC000096398932 569399828 /nfs/dbraw/zinc/39/98/28/569399828.db2.gz UYYVCYJLSPICIE-UHFFFAOYSA-N 0 0 431.876 4.082 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000096399542 569400189 /nfs/dbraw/zinc/40/01/89/569400189.db2.gz YXCVXOJCHYBAQD-UHFFFAOYSA-N 0 0 441.987 4.442 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@]1(C)N(CC2)C(C(=O)OC)=NN1c1ccc(Cl)cc1 ZINC000096562378 569401165 /nfs/dbraw/zinc/40/11/65/569401165.db2.gz LBJJUJNVEYGMNW-HSZRJFAPSA-N 0 0 443.931 4.175 50 0 IIAARN COc1ccc(CN(C(=O)CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)C2CC2)cc1 ZINC000096939480 569402647 /nfs/dbraw/zinc/40/26/47/569402647.db2.gz BYZAOLPHVKJMBO-MLPAPPSSSA-N 0 0 438.528 4.406 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(Cl)cc1 ZINC000002459461 569403497 /nfs/dbraw/zinc/40/34/97/569403497.db2.gz NLGPNVLTXHPVKQ-UHFFFAOYSA-N 0 0 429.954 4.265 50 0 IIAARN CCCc1cc(=O)oc2c1ccc1c2CN(Cc2cc(OC)c(OC)c(OC)c2)CO1 ZINC000055393813 569404251 /nfs/dbraw/zinc/40/42/51/569404251.db2.gz VLRVQHMATIVQFE-UHFFFAOYSA-N 0 0 425.481 4.123 50 0 biogenic IIAARN CCCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002487037 569405083 /nfs/dbraw/zinc/40/50/83/569405083.db2.gz RJAASRROMNQSDT-OAQYLSRUSA-N 0 0 446.569 4.478 50 0 IIAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002487070 569405173 /nfs/dbraw/zinc/40/51/73/569405173.db2.gz QXSWUNAIRCQFRA-IIBYNOLFSA-N 0 0 436.533 4.477 50 0 IIAARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 ZINC000002487374 569405187 /nfs/dbraw/zinc/40/51/87/569405187.db2.gz HFSQSEMXWSLVCF-IIBYNOLFSA-N 0 0 436.533 4.477 50 0 IIAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)Nc1nccs1 ZINC000002493860 569405677 /nfs/dbraw/zinc/40/56/77/569405677.db2.gz HESLSYFWCOMUGF-UHFFFAOYSA-N 0 0 442.591 4.320 50 0 IIAARN C[C@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)CCCC2)s1 ZINC000225685659 569407145 /nfs/dbraw/zinc/40/71/45/569407145.db2.gz QCXMOHYWWYMBSQ-ZDUSSCGKSA-N 0 0 440.487 4.387 50 0 IIAARN O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225722202 569407447 /nfs/dbraw/zinc/40/74/47/569407447.db2.gz MOBONNVYQWGSPR-OAHLLOKOSA-N 0 0 438.380 4.235 50 0 IIAARN O=C(Cc1cccc2ccccc21)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028228522 569409346 /nfs/dbraw/zinc/40/93/46/569409346.db2.gz CUCNRSFEZJNIMH-FQEVSTJZSA-N 0 0 427.953 4.252 50 0 IIAARN CCc1cccc2c(C(=O)CSc3nc4ccccc4c(=O)n3[C@H](CC)CO)c[nH]c21 ZINC000002617779 569410341 /nfs/dbraw/zinc/41/03/41/569410341.db2.gz GLTSVXRLASSHHE-MRXNPFEDSA-N 0 0 435.549 4.359 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 ZINC000002617431 569410415 /nfs/dbraw/zinc/41/04/15/569410415.db2.gz QNURMUZORNSJCA-UHFFFAOYSA-N 0 0 440.402 4.021 50 0 IIAARN O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000002628134 569411922 /nfs/dbraw/zinc/41/19/22/569411922.db2.gz RAYIEUOCYAABSG-UHFFFAOYSA-N 0 0 430.840 4.213 50 0 IIAARN O=C(Nc1ccccc1C(=O)OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccco1 ZINC000002633391 569412701 /nfs/dbraw/zinc/41/27/01/569412701.db2.gz MEYLDGGKCLSMIN-UHFFFAOYSA-N 0 0 449.488 4.066 50 0 IIAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Br)cc1F ZINC000002637680 569413308 /nfs/dbraw/zinc/41/33/08/569413308.db2.gz PDQJFVDRRKFTQP-UHFFFAOYSA-N 0 0 437.290 4.312 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3sccc3C(N)=O)c3ccccc3n2)cc1OC ZINC000002645785 569414111 /nfs/dbraw/zinc/41/41/11/569414111.db2.gz DPYSHOFLRQQEIU-UHFFFAOYSA-N 0 0 433.489 4.332 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002651384 569414911 /nfs/dbraw/zinc/41/49/11/569414911.db2.gz YMLWKJBYTXCCAW-UHFFFAOYSA-N 0 0 437.315 4.006 50 0 IIAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000002652919 569415113 /nfs/dbraw/zinc/41/51/13/569415113.db2.gz BZTKIZYNMQLEHC-VWLOTQADSA-N 0 0 431.467 4.289 50 0 IIAARN CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)c1cccc2ccccc21 ZINC000002654453 569415245 /nfs/dbraw/zinc/41/52/45/569415245.db2.gz PQOFQTORKBDNQV-UHFFFAOYSA-N 0 0 433.537 4.278 50 0 IIAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002655911 569415353 /nfs/dbraw/zinc/41/53/53/569415353.db2.gz BDVUHSZJPOEKPL-MRVPVSSYSA-N 0 0 430.313 4.209 50 0 IIAARN Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 ZINC000002658770 569415790 /nfs/dbraw/zinc/41/57/90/569415790.db2.gz DIZMBFDLFWUXLL-CYBMUJFWSA-N 0 0 428.539 4.116 50 0 IIAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002661801 569416192 /nfs/dbraw/zinc/41/61/92/569416192.db2.gz ARRBOQNTJBENFV-ZDUSSCGKSA-N 0 0 428.539 4.041 50 0 IIAARN O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002663252 569416240 /nfs/dbraw/zinc/41/62/40/569416240.db2.gz RGZUVVQNIZAJQB-UHFFFAOYSA-N 0 0 427.806 4.408 50 0 IIAARN COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000002664756 569416434 /nfs/dbraw/zinc/41/64/34/569416434.db2.gz DSDMDBOUYNUORS-UHFFFAOYSA-N 0 0 449.459 4.251 50 0 IIAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)NCc1ccc(Cl)cc1)CCCC3 ZINC000002665234 569416484 /nfs/dbraw/zinc/41/64/84/569416484.db2.gz FKUIQKVXJBZMAQ-UHFFFAOYSA-N 0 0 448.013 4.419 50 0 IIAARN C[C@@H](c1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(Cl)cc1)N(C)C ZINC000002665009 569416512 /nfs/dbraw/zinc/41/65/12/569416512.db2.gz CJRPZGYEVOLVNR-ZDUSSCGKSA-N 0 0 433.940 4.413 50 0 IIAARN CC[C@H](Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1)C(=O)OC ZINC000002706399 569417618 /nfs/dbraw/zinc/41/76/18/569417618.db2.gz FHKXRKIDPNTTQO-INIZCTEOSA-N 0 0 447.561 4.149 50 0 IIAARN CCn1c2ccccc2c2cc([C@H]3N(C)C(=O)c4ccccc4N3CC(=O)NC)ccc21 ZINC000028924470 569423496 /nfs/dbraw/zinc/42/34/96/569423496.db2.gz ZKMGCHUVFDCYMP-VWLOTQADSA-N 0 0 426.520 4.151 50 0 IIAARN Cc1cccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(=O)n32)c1 ZINC000002888092 569424343 /nfs/dbraw/zinc/42/43/43/569424343.db2.gz XOXHZIJBILAGAZ-UHFFFAOYSA-N 0 0 436.468 4.017 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 ZINC000029013284 569424515 /nfs/dbraw/zinc/42/45/15/569424515.db2.gz ATBDDIBAVCTSOI-UHFFFAOYSA-N 0 0 426.441 4.485 50 0 IIAARN CC(=O)Nc1ccc(N[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000002907972 569424629 /nfs/dbraw/zinc/42/46/29/569424629.db2.gz NPSMSTYLIGAHPP-JOCHJYFZSA-N 0 0 443.956 4.430 50 0 IIAARN COc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)c(OC)c1OC ZINC000002914272 569424926 /nfs/dbraw/zinc/42/49/26/569424926.db2.gz QBQMXPXFOJGJTB-HZPDHXFCSA-N 0 0 445.317 4.213 50 0 IIAARN COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)c(OC)c1OC ZINC000002914248 569424939 /nfs/dbraw/zinc/42/49/39/569424939.db2.gz CAVKMTIDPNFXCG-HZPDHXFCSA-N 0 0 445.317 4.213 50 0 IIAARN COc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)c(OC)c1OC ZINC000002914275 569424978 /nfs/dbraw/zinc/42/49/78/569424978.db2.gz QBQMXPXFOJGJTB-CVEARBPZSA-N 0 0 445.317 4.213 50 0 IIAARN COc1nc(Nc2ccc(I)cc2C)nc(NC2CCCCC2)n1 ZINC000002924952 569425505 /nfs/dbraw/zinc/42/55/05/569425505.db2.gz RSTJSJVMCNDTCK-UHFFFAOYSA-N 0 0 439.301 4.281 50 0 IIAARN O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1c(F)cccc1Cl ZINC000056949968 569428479 /nfs/dbraw/zinc/42/84/79/569428479.db2.gz SGDRQTFXGDRNNN-UHFFFAOYSA-N 0 0 446.881 4.473 50 0 IIAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1OC ZINC000029248339 569429301 /nfs/dbraw/zinc/42/93/01/569429301.db2.gz SMCCECMGZJKPPA-QGZVFWFLSA-N 0 0 432.952 4.433 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057135530 569429776 /nfs/dbraw/zinc/42/97/76/569429776.db2.gz IYOIQEOMOWHIPZ-PGKMIFDNSA-N 0 0 446.334 4.272 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c(OC)c1 ZINC000057256220 569430100 /nfs/dbraw/zinc/43/01/00/569430100.db2.gz HOMLLWMAIIPJLX-UHFFFAOYSA-N 0 0 449.526 4.417 50 0 IIAARN C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCCCc1ccc(F)cc1 ZINC000227160082 569431789 /nfs/dbraw/zinc/43/17/89/569431789.db2.gz VJIIWIZTFFKEBE-OAHLLOKOSA-N 0 0 446.320 4.290 50 0 IIAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057364722 569432144 /nfs/dbraw/zinc/43/21/44/569432144.db2.gz ALVDCGSAETUDGH-GOSISDBHSA-N 0 0 435.549 4.325 50 0 IIAARN COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(F)c2)c1 ZINC000002954991 569432387 /nfs/dbraw/zinc/43/23/87/569432387.db2.gz HOGCUOKMMHSARB-COOPMVRXSA-N 0 0 433.439 4.261 50 0 IIAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccccc1)NC1CCCCC1 ZINC000002972023 569433459 /nfs/dbraw/zinc/43/34/59/569433459.db2.gz WMNNXQFOQXNHGB-UHFFFAOYSA-N 0 0 449.576 4.211 50 0 IIAARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CC(C)C)cc1 ZINC000002980091 569433697 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NUBWCDVEOLHSAK-ZEQRLZLVSA-N 0 0 428.488 4.179 50 0 IIAARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc3c(c2)OCO3)c1 ZINC000008661731 569469841 /nfs/dbraw/zinc/46/98/41/569469841.db2.gz ONRROFVUMLJMKP-FVDSYPCUSA-N 0 0 443.459 4.150 50 0 IIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000008704690 569470260 /nfs/dbraw/zinc/47/02/60/569470260.db2.gz CQVYDEOKDPTRHM-JOCHJYFZSA-N 0 0 441.409 4.264 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1 ZINC000008704966 569470371 /nfs/dbraw/zinc/47/03/71/569470371.db2.gz MGQVZAXLLGPQRZ-UHFFFAOYSA-N 0 0 440.609 4.024 50 0 IIAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000008710430 569470961 /nfs/dbraw/zinc/47/09/61/569470961.db2.gz YVAGNNHIKUKRCS-UHFFFAOYSA-N 0 0 436.537 4.004 50 0 IIAARN CCc1ccc2oc(C(=O)NC[C@@H](c3cccn3-c3ccc(C)cc3)N(C)C)cc(=O)c2c1 ZINC000008717990 569471205 /nfs/dbraw/zinc/47/12/05/569471205.db2.gz LKKBSHUAVFVWBL-QHCPKHFHSA-N 0 0 443.547 4.487 50 0 IIAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2Cl)c2cccnc2)cc1 ZINC000008718006 569471284 /nfs/dbraw/zinc/47/12/84/569471284.db2.gz YLGYKFCRGIFHAF-IBGZPJMESA-N 0 0 432.904 4.128 50 0 IIAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008719771 569471431 /nfs/dbraw/zinc/47/14/31/569471431.db2.gz ZDYMPDSKBHUBIR-NSHDSACASA-N 0 0 445.342 4.057 50 0 IIAARN C[C@@H](NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC000008721414 569471706 /nfs/dbraw/zinc/47/17/06/569471706.db2.gz FKJPATNCAPDONV-CABCVRRESA-N 0 0 439.453 4.359 50 0 IIAARN C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000008723903 569471926 /nfs/dbraw/zinc/47/19/26/569471926.db2.gz KXVQIXMEHXGYMQ-HNNXBMFYSA-N 0 0 442.976 4.031 50 0 IIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(-c2cccs2)on1 ZINC000008725181 569472066 /nfs/dbraw/zinc/47/20/66/569472066.db2.gz ANBUMVBLVRLWBY-UHFFFAOYSA-N 0 0 448.595 4.493 50 0 IIAARN CCCn1c(=O)[nH]nc1SCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000008734521 569472599 /nfs/dbraw/zinc/47/25/99/569472599.db2.gz GABTYIKTRTTZLH-UHFFFAOYSA-N 0 0 433.946 4.304 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2cnc3cc(F)ccc3c2=O)s1 ZINC000008736062 569472703 /nfs/dbraw/zinc/47/27/03/569472703.db2.gz XZIKJBMPMCBKGC-UHFFFAOYSA-N 0 0 435.524 4.177 50 0 IIAARN CC(C)CCOC[C@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740388 569472771 /nfs/dbraw/zinc/47/27/71/569472771.db2.gz OJATVTJDPVKGII-ZQMYSKGWSA-N 0 0 444.553 4.413 50 0 biogenic IIAARN Cc1ccc(Nc2nc([C@@]3(C)C[C@]4(C[C@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000008740401 569472819 /nfs/dbraw/zinc/47/28/19/569472819.db2.gz XRULNHKVZLXAKX-ZQMYSKGWSA-N 0 0 444.553 4.332 50 0 biogenic IIAARN CC(=O)Nc1cccc(NC(=O)CSc2nccn2-c2ccc(Br)cc2)c1 ZINC000008746587 569473058 /nfs/dbraw/zinc/47/30/58/569473058.db2.gz IKSAEIWGGMAWRP-UHFFFAOYSA-N 0 0 445.342 4.324 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2C)c1 ZINC000008753148 569473705 /nfs/dbraw/zinc/47/37/05/569473705.db2.gz FYIVTMDHLOKYJM-INIZCTEOSA-N 0 0 436.581 4.339 50 0 IIAARN COc1ccccc1OCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764433 569474585 /nfs/dbraw/zinc/47/45/85/569474585.db2.gz DQSZQUJBCBBUGJ-UHFFFAOYSA-N 0 0 435.476 4.292 50 0 biogenic IIAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCc4ccco4)c(C)c13)CCC(C)(C)O2 ZINC000008764662 569474591 /nfs/dbraw/zinc/47/45/91/569474591.db2.gz XJQLPZMKIBWEAA-UHFFFAOYSA-N 0 0 425.481 4.056 50 0 biogenic IIAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000008765172 569474714 /nfs/dbraw/zinc/47/47/14/569474714.db2.gz QDNHCZWKKOXVHF-NFBKMPQASA-N 0 0 431.580 4.477 50 0 biogenic IIAARN CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccccc2)CO1 ZINC000008769864 569475124 /nfs/dbraw/zinc/47/51/24/569475124.db2.gz VOALQQLPLIIWHP-UHFFFAOYSA-N 0 0 432.545 4.173 50 0 IIAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@]1(O)C(F)(F)F ZINC000008777898 569475449 /nfs/dbraw/zinc/47/54/49/569475449.db2.gz RBSGBCDKLQBTMC-FOIQADDNSA-N 0 0 446.454 4.251 50 0 IIAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008778081 569475485 /nfs/dbraw/zinc/47/54/85/569475485.db2.gz ZDSUXRCGJIEDCN-IBGZPJMESA-N 0 0 441.597 4.040 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000008780101 569475577 /nfs/dbraw/zinc/47/55/77/569475577.db2.gz GYVVQQZFMKFCCL-UHFFFAOYSA-N 0 0 425.539 4.115 50 0 IIAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008779851 569475614 /nfs/dbraw/zinc/47/56/14/569475614.db2.gz UINNNTLHPPEZKB-UHFFFAOYSA-N 0 0 440.632 4.120 50 0 IIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000008790087 569475981 /nfs/dbraw/zinc/47/59/81/569475981.db2.gz QDLGGBCEKVCGTJ-QFIPXVFZSA-N 0 0 442.471 4.366 50 0 biogenic IIAARN COc1ccc(-c2cc3ccc(OC(=O)c4ccc5c(c4)OCO5)cc3oc2=O)c(OC)c1 ZINC000008791293 569476156 /nfs/dbraw/zinc/47/61/56/569476156.db2.gz UMFCPABSDDBEGA-UHFFFAOYSA-N 0 0 446.411 4.425 50 0 biogenic IIAARN C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000008823969 569477117 /nfs/dbraw/zinc/47/71/17/569477117.db2.gz XJOYMUCAIMYOFB-LHSJRXKWSA-N 0 0 449.334 4.243 50 0 IIAARN O=C(c1cccs1)N1CCC[C@@H]1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000008825433 569477374 /nfs/dbraw/zinc/47/73/74/569477374.db2.gz YXGBFQYWAXQCTL-GOSISDBHSA-N 0 0 426.538 4.053 50 0 IIAARN Cc1cc(C)n2c(nnc2S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000008825402 569477385 /nfs/dbraw/zinc/47/73/85/569477385.db2.gz GASCPBBMJUKHRV-LLVKDONJSA-N 0 0 446.508 4.262 50 0 IIAARN CCOc1ccccc1NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000008825925 569477514 /nfs/dbraw/zinc/47/75/14/569477514.db2.gz PBHSVHRAJJHODY-UHFFFAOYSA-N 0 0 435.476 4.225 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000008827439 569477635 /nfs/dbraw/zinc/47/76/35/569477635.db2.gz MQAUJNDCYUMZRJ-LJQANCHMSA-N 0 0 446.484 4.403 50 0 IIAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)c1 ZINC000008845146 569478745 /nfs/dbraw/zinc/47/87/45/569478745.db2.gz HODPBIASVKENHD-DEOSSOPVSA-N 0 0 426.476 4.321 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC ZINC000008846065 569478986 /nfs/dbraw/zinc/47/89/86/569478986.db2.gz LQSKHDNZTGUJTD-HSZRJFAPSA-N 0 0 442.471 4.341 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000008846106 569479010 /nfs/dbraw/zinc/47/90/10/569479010.db2.gz ILCWEVMFPQGAEG-QHCPKHFHSA-N 0 0 442.471 4.259 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c1 ZINC000008851087 569479347 /nfs/dbraw/zinc/47/93/47/569479347.db2.gz HKCGUTJGUPBQKH-UHFFFAOYSA-N 0 0 449.504 4.342 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc1 ZINC000008851473 569479387 /nfs/dbraw/zinc/47/93/87/569479387.db2.gz MBMQOODBWFHHMK-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN COc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008851996 569479457 /nfs/dbraw/zinc/47/94/57/569479457.db2.gz XMUMTLTYCAMYOV-UHFFFAOYSA-N 0 0 431.514 4.203 50 0 IIAARN COc1cc(CSc2nc(CC(=O)NCCc3ccccc3)cs2)cc(OC)c1 ZINC000008853671 569479560 /nfs/dbraw/zinc/47/95/60/569479560.db2.gz XCBQLEPLNUYFGF-UHFFFAOYSA-N 0 0 428.579 4.354 50 0 IIAARN C[C@@H](NC(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000008862417 569480164 /nfs/dbraw/zinc/48/01/64/569480164.db2.gz WKQMYIALRNBLGH-CQSZACIVSA-N 0 0 427.961 4.164 50 0 IIAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1OCC ZINC000008867945 569480330 /nfs/dbraw/zinc/48/03/30/569480330.db2.gz GUIUOJQFPKINJK-KRWDZBQOSA-N 0 0 429.448 4.469 50 0 IIAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000008869406 569480415 /nfs/dbraw/zinc/48/04/15/569480415.db2.gz WULDAWGHSKHUPD-QFIPXVFZSA-N 0 0 437.492 4.172 50 0 IIAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000008869405 569480459 /nfs/dbraw/zinc/48/04/59/569480459.db2.gz WULDAWGHSKHUPD-JOCHJYFZSA-N 0 0 437.492 4.172 50 0 IIAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869695 569480498 /nfs/dbraw/zinc/48/04/98/569480498.db2.gz RZVVGCJKWWUILR-UBLKFNIESA-N 0 0 441.593 4.222 50 0 IIAARN CCc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000008878440 569481247 /nfs/dbraw/zinc/48/12/47/569481247.db2.gz UBXYPTCVSQPXFG-GDLZYMKVSA-N 0 0 430.957 4.431 50 0 IIAARN Cc1ccc(-n2c(SCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1 ZINC000008879981 569481420 /nfs/dbraw/zinc/48/14/20/569481420.db2.gz NVYRGRYFWBAODV-UHFFFAOYSA-N 0 0 441.512 4.082 50 0 IIAARN COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000039532690 569481677 /nfs/dbraw/zinc/48/16/77/569481677.db2.gz DHEXZOMYMLZVDC-UHFFFAOYSA-N 0 0 448.544 4.454 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000039843987 569481903 /nfs/dbraw/zinc/48/19/03/569481903.db2.gz WCDVJHYJOMWEOM-HZPDHXFCSA-N 0 0 430.501 4.236 50 0 IIAARN CSc1nc(C)c(CCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)n1 ZINC000039981966 569482276 /nfs/dbraw/zinc/48/22/76/569482276.db2.gz KATLFQMIBPERBO-QFIPXVFZSA-N 0 0 429.586 4.423 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cc1sc(=S)[nH]c1C ZINC000040017212 569482639 /nfs/dbraw/zinc/48/26/39/569482639.db2.gz VQSIGMCHTUGCTD-UHFFFAOYSA-N 0 0 435.018 4.456 50 0 IIAARN Nn1c(SCCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1-c1cccs1 ZINC000040025017 569482840 /nfs/dbraw/zinc/48/28/40/569482840.db2.gz LOFLCLCVBZUBLJ-UHFFFAOYSA-N 0 0 449.561 4.072 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)cc12 ZINC000040030737 569483054 /nfs/dbraw/zinc/48/30/54/569483054.db2.gz KRIAQBOENQRATM-KRWDZBQOSA-N 0 0 426.590 4.357 50 0 IIAARN CC[C@]1(c2cccc(Cl)c2)NC(=O)N(C[C@@H](O)COc2cccc3ccccc32)C1=O ZINC000040034737 569483259 /nfs/dbraw/zinc/48/32/59/569483259.db2.gz ZVELJMVCOUPZGZ-NTKDMRAZSA-N 0 0 438.911 4.090 50 0 IIAARN Nn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 ZINC000008897844 569483994 /nfs/dbraw/zinc/48/39/94/569483994.db2.gz IUOZDXUZOWOFLA-INIZCTEOSA-N 0 0 433.459 4.360 50 0 IIAARN CN1C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)cc2C1=O ZINC000040050254 569484147 /nfs/dbraw/zinc/48/41/47/569484147.db2.gz YHJDEVNAEWLUAP-UHFFFAOYSA-N 0 0 436.471 4.077 50 0 IIAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1Cl ZINC000008901667 569484349 /nfs/dbraw/zinc/48/43/49/569484349.db2.gz YTJWKRNHPQKVKX-GOSISDBHSA-N 0 0 429.007 4.306 50 0 IIAARN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n(Cc2ccccc2)n1 ZINC000040056924 569484539 /nfs/dbraw/zinc/48/45/39/569484539.db2.gz BBUQEWAHKXXFTL-UHFFFAOYSA-N 0 0 436.943 4.384 50 0 IIAARN COc1cc(OC)c(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)cc1Cl ZINC000008912739 569485149 /nfs/dbraw/zinc/48/51/49/569485149.db2.gz VAVCTOVQSHHWDU-UHFFFAOYSA-N 0 0 433.917 4.056 50 0 IIAARN COCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008913529 569485361 /nfs/dbraw/zinc/48/53/61/569485361.db2.gz VXJZYTJOBFNASV-UHFFFAOYSA-N 0 0 446.576 4.457 50 0 IIAARN Cc1nc(CSCCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1 ZINC000040069591 569485403 /nfs/dbraw/zinc/48/54/03/569485403.db2.gz VCMSBPXFCIGFPX-UHFFFAOYSA-N 0 0 432.398 4.479 50 0 IIAARN CC(C)CCNC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008917813 569486081 /nfs/dbraw/zinc/48/60/81/569486081.db2.gz TUMJVXRHDKRCQT-SANMLTNESA-N 0 0 444.535 4.184 50 0 biogenic IIAARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008918368 569486289 /nfs/dbraw/zinc/48/62/89/569486289.db2.gz HIWDCYQWMCCQQA-DCFHFQCYSA-N 0 0 447.531 4.301 50 0 biogenic IIAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918768 569486355 /nfs/dbraw/zinc/48/63/55/569486355.db2.gz RGQFOHJQMHBDDW-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)c(OC)c1 ZINC000008922447 569486914 /nfs/dbraw/zinc/48/69/14/569486914.db2.gz IMWIVNMMSLWFET-MHZLTWQESA-N 0 0 445.515 4.144 50 0 IIAARN CCCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 ZINC000040093002 569487475 /nfs/dbraw/zinc/48/74/75/569487475.db2.gz MAAIVGWCMNOEOP-UHFFFAOYSA-N 0 0 429.567 4.481 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1 ZINC000008935894 569488008 /nfs/dbraw/zinc/48/80/08/569488008.db2.gz LIJDGSYARNVOKK-UHFFFAOYSA-N 0 0 437.550 4.262 50 0 IIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008943323 569488814 /nfs/dbraw/zinc/48/88/14/569488814.db2.gz VICXEANVYUOKNT-QHCPKHFHSA-N 0 0 443.499 4.431 50 0 IIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000040113296 569488982 /nfs/dbraw/zinc/48/89/82/569488982.db2.gz QFMOCGHIJGXRNB-UHFFFAOYSA-N 0 0 429.904 4.201 50 0 IIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(-c2ccccc2)nn1CCO ZINC000040119718 569489412 /nfs/dbraw/zinc/48/94/12/569489412.db2.gz WADVCXWIRFKHOP-UHFFFAOYSA-N 0 0 431.492 4.185 50 0 IIAARN COc1ccc(-c2cc(-c3cccc(OC)c3O)n([C@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000008951616 569489972 /nfs/dbraw/zinc/48/99/72/569489972.db2.gz UXJMPXWRIUFZFJ-HSZRJFAPSA-N 0 0 427.460 4.481 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)OCc1ccccc1)c2=O ZINC000008955295 569490097 /nfs/dbraw/zinc/49/00/97/569490097.db2.gz OJLXZCJJYJGXEK-UHFFFAOYSA-N 0 0 425.897 4.225 50 0 IIAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c3nc(C)sc32)cc1 ZINC000008955446 569490132 /nfs/dbraw/zinc/49/01/32/569490132.db2.gz WZRCNCAASLOARE-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000008965218 569491411 /nfs/dbraw/zinc/49/14/11/569491411.db2.gz JROCNYVGFAVOAR-YLJYHZDGSA-N 0 0 428.536 4.285 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1ccc(C)cc1 ZINC000008965336 569491438 /nfs/dbraw/zinc/49/14/38/569491438.db2.gz JJDOPGMKARTSKF-UHFFFAOYSA-N 0 0 428.536 4.209 50 0 IIAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C1CCCCC1 ZINC000008965900 569491586 /nfs/dbraw/zinc/49/15/86/569491586.db2.gz GSDJSLNWPKSBLH-UHFFFAOYSA-N 0 0 431.953 4.057 50 0 IIAARN CCOc1ccc(NC(=O)Cc2cccc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000008966106 569491687 /nfs/dbraw/zinc/49/16/87/569491687.db2.gz YWIGDXNUQSQIGE-UHFFFAOYSA-N 0 0 438.549 4.204 50 0 IIAARN 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CC(C)C(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000012381889 519472055 /nfs/dbraw/zinc/47/20/55/519472055.db2.gz KCSXIRMYRIRKQC-UHFFFAOYSA-N 0 0 431.989 4.375 50 0 IIAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000021843038 519481954 /nfs/dbraw/zinc/48/19/54/519481954.db2.gz QDYKESJULPVAOD-MHWRWJLKSA-N 0 0 440.805 4.018 50 0 IIAARN CC(C)Cn1c(S[C@@H](C)C(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000022301071 519488566 /nfs/dbraw/zinc/48/85/66/519488566.db2.gz ONTYORLAHQTBFJ-GJZGRUSLSA-N 0 0 433.643 4.342 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586608 519500696 /nfs/dbraw/zinc/50/06/96/519500696.db2.gz WCXFKGDURMAUPL-QHCPKHFHSA-N 0 0 443.503 4.194 50 0 biogenic IIAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 ZINC000033077310 519561956 /nfs/dbraw/zinc/56/19/56/519561956.db2.gz OQEWVDHJHHORSX-UHFFFAOYSA-N 0 0 448.588 4.419 50 0 IIAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc21 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50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(COC)s2)C1 ZINC000012590046 521181560 /nfs/dbraw/zinc/18/15/60/521181560.db2.gz PRRNULGONNAGJG-JOCHJYFZSA-N 0 0 437.508 4.201 50 0 IIAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000021588468 521183935 /nfs/dbraw/zinc/18/39/35/521183935.db2.gz OIWKEEGEMANPJF-CYBMUJFWSA-N 0 0 443.443 4.270 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015009693 521246377 /nfs/dbraw/zinc/24/63/77/521246377.db2.gz GUGZHNQSUFSVQK-LEWJYISDSA-N 0 0 437.569 4.254 50 0 IIAARN CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1OC ZINC000020463951 521271610 /nfs/dbraw/zinc/27/16/10/521271610.db2.gz NFVJKFMNFCIXAJ-MRXNPFEDSA-N 0 0 437.521 4.356 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(CC(C)C)nn(-c3cccc(C)c3)c2CC)C1 ZINC000036017656 521293820 /nfs/dbraw/zinc/29/38/20/521293820.db2.gz RJDKUPAESAYIOQ-IBGZPJMESA-N 0 0 425.573 4.357 50 0 IIAARN CCOc1ccc2oc(=O)cc(CN3CCN(Cc4ccc(F)cc4Cl)CC3)c2c1 ZINC000022752841 521310720 /nfs/dbraw/zinc/31/07/20/521310720.db2.gz RWGICQVVLVXCMT-UHFFFAOYSA-N 0 0 430.907 4.302 50 0 biogenic,in-vitro IIAARN CCOc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1 ZINC000000999482 521311677 /nfs/dbraw/zinc/31/16/77/521311677.db2.gz IQOMXFXXKCCRPH-UHFFFAOYSA-N 0 0 439.519 4.053 50 0 IIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000012533166 521323901 /nfs/dbraw/zinc/32/39/01/521323901.db2.gz AGRVZRPBEYUQBO-HHHXNRCGSA-N 0 0 441.531 4.140 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(Br)cc1)C(F)(F)F ZINC000012412270 521347126 /nfs/dbraw/zinc/34/71/26/521347126.db2.gz KDZTWGLQAUZCHP-QGZVFWFLSA-N 0 0 445.235 4.113 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 ZINC000012438772 521355091 /nfs/dbraw/zinc/35/50/91/521355091.db2.gz FXILCVPHBIFKMH-DEOSSOPVSA-N 0 0 439.943 4.324 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC(C)C)C(=O)c2ccc(OC)cc2)c1C ZINC000036003525 521362471 /nfs/dbraw/zinc/36/24/71/521362471.db2.gz 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/nfs/dbraw/zinc/24/53/37/523245337.db2.gz BDZRKHFKEULQCL-CQSZACIVSA-N 0 0 439.541 4.051 50 0 IIAARN COc1ccc(-c2nn(C)c3sc(C(=O)Nc4ccc5c(c4)OCO5)cc23)cc1OC ZINC000020233608 523245539 /nfs/dbraw/zinc/24/55/39/523245539.db2.gz XWPOHFLWSQOMFX-UHFFFAOYSA-N 0 0 437.477 4.300 50 0 IIAARN CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c32)nnc1N1CCOCC1 ZINC000012777822 523247475 /nfs/dbraw/zinc/24/74/75/523247475.db2.gz CGPRRGUURLRTGI-UHFFFAOYSA-N 0 0 442.545 4.097 50 0 IIAARN CCn1c2c(cccc2OC)s/c1=N/C(=O)c1ccccc1I ZINC000012378107 523254513 /nfs/dbraw/zinc/25/45/13/523254513.db2.gz IDIJMTNDULBARM-HTXNQAPBSA-N 0 0 438.290 4.077 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2C)cc1 ZINC000012599376 523261012 /nfs/dbraw/zinc/26/10/12/523261012.db2.gz CZDVNEUPSVSSTP-MRXNPFEDSA-N 0 0 436.581 4.339 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc(C)cc1 ZINC000012551889 523270437 /nfs/dbraw/zinc/27/04/37/523270437.db2.gz NVTZFWNHBACGFI-RGEXLXHISA-N 0 0 445.972 4.122 50 0 IIAARN COCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021869331 523292950 /nfs/dbraw/zinc/29/29/50/523292950.db2.gz DCGGNSQWFURRLW-SANMLTNESA-N 0 0 437.584 4.245 50 0 IIAARN CCn1cc(C(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)c2ccccc21 ZINC000057291700 523323482 /nfs/dbraw/zinc/32/34/82/523323482.db2.gz LNKMLNVAMZLHLR-UHFFFAOYSA-N 0 0 436.537 4.352 50 0 IIAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2cn3ccccc3n2)cc1 ZINC000012316555 523353550 /nfs/dbraw/zinc/35/35/50/523353550.db2.gz KPUPHUGSGTXTBQ-QFIPXVFZSA-N 0 0 443.551 4.291 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012582420 523359821 /nfs/dbraw/zinc/35/98/21/523359821.db2.gz MMTZBFCBRSSASJ-FQEVSTJZSA-N 0 0 425.525 4.304 50 0 IIAARN COc1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)cc1Cl ZINC000001384562 523410293 /nfs/dbraw/zinc/41/02/93/523410293.db2.gz QQANQPIPMXYZAK-NTEUORMPSA-N 0 0 439.636 4.298 50 0 IIAARN CC[C@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035873077 523418060 /nfs/dbraw/zinc/41/80/60/523418060.db2.gz ZLAFBLKSLSSZIX-HSZRJFAPSA-N 0 0 430.504 4.404 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1 ZINC000020180610 523423962 /nfs/dbraw/zinc/42/39/62/523423962.db2.gz HITZNVNSGNKFJL-GJQHCVRFSA-N 0 0 428.488 4.339 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012794323 523522104 /nfs/dbraw/zinc/52/21/04/523522104.db2.gz VLTGQZDVZZNPRF-UHFFFAOYSA-N 0 0 443.878 4.424 50 0 IIAARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011874450 523523502 /nfs/dbraw/zinc/52/35/02/523523502.db2.gz SCDADBAJXGGJQM-UHFFFAOYSA-N 0 0 429.958 4.437 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3I)CC2)cc1 ZINC000012740403 523575595 /nfs/dbraw/zinc/57/55/95/523575595.db2.gz WMTNQTXQYFVAPU-UHFFFAOYSA-N 0 0 449.288 4.035 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(N(C)C)cc3)C2)c2ccccc12 ZINC000012565296 523634688 /nfs/dbraw/zinc/63/46/88/523634688.db2.gz YXXJVKGKSHLPNZ-GOSISDBHSA-N 0 0 431.536 4.405 50 0 IIAARN COc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(O)c1 ZINC000021959527 523646815 /nfs/dbraw/zinc/64/68/15/523646815.db2.gz LMDDKZRLLISHRI-UHFFFAOYSA-N 0 0 438.474 4.226 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cc3)CC2)cc1 ZINC000009192648 523650754 /nfs/dbraw/zinc/65/07/54/523650754.db2.gz RGCOZGYXCHCQED-FRKPEAEDSA-N 0 0 441.531 4.310 50 0 IIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000012816750 523656912 /nfs/dbraw/zinc/65/69/12/523656912.db2.gz KQFNKDVVZAGGFS-HXUWFJFHSA-N 0 0 426.900 4.067 50 0 IIAARN CCc1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000024630062 523683956 /nfs/dbraw/zinc/68/39/56/523683956.db2.gz GSSBVYFLLHTXIQ-UHFFFAOYSA-N 0 0 442.991 4.343 50 0 IIAARN COC(=O)[C@@H]1CCCN1C(=O)c1sc2ncnc(NCCC3=CCCCC3)c2c1C ZINC000012470306 523692817 /nfs/dbraw/zinc/69/28/17/523692817.db2.gz JIHGZQXJIZIIAM-INIZCTEOSA-N 0 0 428.558 4.080 50 0 IIAARN COc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2C)cc1OC ZINC000012539128 523701892 /nfs/dbraw/zinc/70/18/92/523701892.db2.gz NBAOVRNUTYOAJU-UHFFFAOYSA-N 0 0 429.520 4.383 50 0 IIAARN CCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(C)cc2)n1 ZINC000012464243 523739800 /nfs/dbraw/zinc/73/98/00/523739800.db2.gz UGNRKTLINASMRL-GOSISDBHSA-N 0 0 438.578 4.172 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)-c2ccccc2CC3)C1=O ZINC000012914770 523748065 /nfs/dbraw/zinc/74/80/65/523748065.db2.gz OMXLWAOTYSGMHY-DEOSSOPVSA-N 0 0 431.517 4.016 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4cc(C)sc4n3)c2)cc1 ZINC000041077363 523749456 /nfs/dbraw/zinc/74/94/56/523749456.db2.gz AVWUBGBLYVFSRR-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c(OC)c1 ZINC000012650897 523755333 /nfs/dbraw/zinc/75/53/33/523755333.db2.gz GCJXHMCLOUOWOH-UHFFFAOYSA-N 0 0 438.871 4.352 50 0 IIAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)cc3)nc21 ZINC000020590217 523797706 /nfs/dbraw/zinc/79/77/06/523797706.db2.gz BOPSJEIGQJRZFK-UHFFFAOYSA-N 0 0 439.581 4.291 50 0 IIAARN COc1ccc(C)cc1CN(C)C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000021938719 523808223 /nfs/dbraw/zinc/80/82/23/523808223.db2.gz OGIVVDWVJKPGNW-KROKWJMESA-N 0 0 426.601 4.319 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000035361684 523838486 /nfs/dbraw/zinc/83/84/86/523838486.db2.gz ISPBVNFUGUGWKL-QHCPKHFHSA-N 0 0 449.576 4.203 50 0 IIAARN CCc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021049896 523939821 /nfs/dbraw/zinc/93/98/21/523939821.db2.gz SHVBVQQNKOQEFL-UHFFFAOYSA-N 0 0 436.943 4.075 50 0 IIAARN CCc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 ZINC000021599849 523955781 /nfs/dbraw/zinc/95/57/81/523955781.db2.gz DLHOSMTZPPGQMI-UHFFFAOYSA-N 0 0 447.926 4.254 50 0 IIAARN CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022908196 523968310 /nfs/dbraw/zinc/96/83/10/523968310.db2.gz XGZSMWKCUSZKPX-JOCHJYFZSA-N 0 0 433.577 4.165 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)onc2-c2ccc(Br)cc2)cc1OC ZINC000035536642 523968599 /nfs/dbraw/zinc/96/85/99/523968599.db2.gz NHLSJOAZFCKQRM-UHFFFAOYSA-N 0 0 445.313 4.402 50 0 IIAARN COc1ccc(CCNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 ZINC000020834303 523970999 /nfs/dbraw/zinc/97/09/99/523970999.db2.gz LOGXZTAUEHOJOC-UHFFFAOYSA-N 0 0 440.609 4.456 50 0 IIAARN COc1ccc(CCNC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)cc1OC ZINC000021914730 523972078 /nfs/dbraw/zinc/97/20/78/523972078.db2.gz AUHSYKJWHQNOPO-UHFFFAOYSA-N 0 0 430.508 4.003 50 0 biogenic IIAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1 ZINC000021872160 523975416 /nfs/dbraw/zinc/97/54/16/523975416.db2.gz MKSZRSYSRBSNCK-QFIPXVFZSA-N 0 0 428.492 4.010 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021661765 523995668 /nfs/dbraw/zinc/99/56/68/523995668.db2.gz LPJYSBVCIOLTSH-MGPUTAFESA-N 0 0 427.932 4.112 50 0 IIAARN CN(C)C(=O)CSc1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000012924643 523997767 /nfs/dbraw/zinc/99/77/67/523997767.db2.gz JTUMNOBFTSFIMB-UHFFFAOYSA-N 0 0 430.526 4.487 50 0 IIAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1F ZINC000012909969 524001082 /nfs/dbraw/zinc/00/10/82/524001082.db2.gz XPQVYPWZFXTRFM-UHFFFAOYSA-N 0 0 448.560 4.060 50 0 IIAARN CCc1ccc(S(=O)(=O)NCCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000021155533 524013285 /nfs/dbraw/zinc/01/32/85/524013285.db2.gz SWKCTSJTGCHSGV-UHFFFAOYSA-N 0 0 434.565 4.338 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)c1C ZINC000036000863 524022109 /nfs/dbraw/zinc/02/21/09/524022109.db2.gz BAEPLKNMJDKYPB-UHFFFAOYSA-N 0 0 436.483 4.391 50 0 IIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000036048256 524038424 /nfs/dbraw/zinc/03/84/24/524038424.db2.gz FETIUDWJRNOHCS-XMMPIXPASA-N 0 0 446.547 4.242 50 0 biogenic IIAARN COc1ccc(CNC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)cc1 ZINC000020437580 524049041 /nfs/dbraw/zinc/04/90/41/524049041.db2.gz KGKDWBANRWDUDW-UHFFFAOYSA-N 0 0 444.535 4.439 50 0 IIAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000020677265 524074134 /nfs/dbraw/zinc/07/41/34/524074134.db2.gz OQELLFUDKYTWNG-UHFFFAOYSA-N 0 0 448.903 4.219 50 0 IIAARN Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000012049865 524098298 /nfs/dbraw/zinc/09/82/98/524098298.db2.gz UGTRHRCNMWCZFP-GOSISDBHSA-N 0 0 434.496 4.449 50 0 IIAARN Cc1cccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012528440 524140087 /nfs/dbraw/zinc/14/00/87/524140087.db2.gz QRUGEEWDNOZFGM-LJQANCHMSA-N 0 0 448.552 4.036 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)c3cc4ccccc4o3)nnc2N2CCOCC2)c1 ZINC000012543722 524140948 /nfs/dbraw/zinc/14/09/48/524140948.db2.gz DNILWWCMXWPESY-UHFFFAOYSA-N 0 0 434.521 4.134 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045812 524181622 /nfs/dbraw/zinc/18/16/22/524181622.db2.gz YLJSQQSOVGMRMW-JWQCQUIFSA-N 0 0 446.522 4.315 50 0 IIAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1 ZINC000012927475 524185696 /nfs/dbraw/zinc/18/56/96/524185696.db2.gz JTIVFZJFVXVCDL-IRXDYDNUSA-N 0 0 446.494 4.386 50 0 IIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@H]3CCCO3)CC(C)C)no2)c(C)c1 ZINC000036015874 524209228 /nfs/dbraw/zinc/20/92/28/524209228.db2.gz VSPADQIENRQQIZ-HXUWFJFHSA-N 0 0 441.572 4.050 50 0 IIAARN Cc1ccc(C)n1-c1nn(CC(=O)NCCc2ccc(Cl)cc2)c2nc(C)cc(C)c12 ZINC000020992751 524221941 /nfs/dbraw/zinc/22/19/41/524221941.db2.gz OPYISNVLVJLHID-UHFFFAOYSA-N 0 0 435.959 4.468 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)N1C(=O)COc2ccccc21 ZINC000021882981 524251467 /nfs/dbraw/zinc/25/14/67/524251467.db2.gz OLLNCHCVSIIQFY-KRWDZBQOSA-N 0 0 440.503 4.101 50 0 IIAARN C[C@@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)N1C(=O)COc2ccccc21 ZINC000021886301 524264261 /nfs/dbraw/zinc/26/42/61/524264261.db2.gz KHGMMWCKEGSIEC-KRWDZBQOSA-N 0 0 440.503 4.101 50 0 IIAARN COc1ccccc1-c1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)no1 ZINC000034922461 524267555 /nfs/dbraw/zinc/26/75/55/524267555.db2.gz YQMGBZZBTIXALX-UHFFFAOYSA-N 0 0 442.468 4.473 50 0 IIAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908212 524267565 /nfs/dbraw/zinc/26/75/65/524267565.db2.gz YEMNXJKMIBWARF-OAQYLSRUSA-N 0 0 433.577 4.219 50 0 IIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000012813120 524278804 /nfs/dbraw/zinc/27/88/04/524278804.db2.gz JBLXLJQITFVPAC-CHWSQXEVSA-N 0 0 441.347 4.246 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1sccc1-c1ccccc1 ZINC000021373504 524279884 /nfs/dbraw/zinc/27/98/84/524279884.db2.gz UYLKLFIGVVGXKU-KRWDZBQOSA-N 0 0 436.533 4.332 50 0 IIAARN Cc1cccc(C)c1NC(=O)NC1CCN(c2nc3ccccc3n(CC(C)C)c2=O)CC1 ZINC000033290702 524289262 /nfs/dbraw/zinc/28/92/62/524289262.db2.gz PFKHDEFLUNVLET-UHFFFAOYSA-N 0 0 447.583 4.460 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)c(C)c1 ZINC000022768023 524292181 /nfs/dbraw/zinc/29/21/81/524292181.db2.gz NADAFPATGNQLTE-UHFFFAOYSA-N 0 0 445.498 4.163 50 0 IIAARN COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015227150 524308630 /nfs/dbraw/zinc/30/86/30/524308630.db2.gz ZQEKLKYAIRRGPG-UHFFFAOYSA-N 0 0 443.838 4.074 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)c(C)c1 ZINC000012872357 524316628 /nfs/dbraw/zinc/31/66/28/524316628.db2.gz FKTBRNAFFCAGIZ-SFHVURJKSA-N 0 0 446.638 4.220 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1C ZINC000015783929 524320213 /nfs/dbraw/zinc/32/02/13/524320213.db2.gz JXQLWUYGSFHYET-UHFFFAOYSA-N 0 0 444.557 4.043 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C ZINC000035598112 524324976 /nfs/dbraw/zinc/32/49/76/524324976.db2.gz GVTYSECCBBILJL-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000012414948 524349475 /nfs/dbraw/zinc/34/94/75/524349475.db2.gz ZNLKSPNDWLFERH-UHFFFAOYSA-N 0 0 443.326 4.024 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000016973088 524359179 /nfs/dbraw/zinc/35/91/79/524359179.db2.gz LQVZYIGPMYDJJT-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 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COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000021156988 524579557 /nfs/dbraw/zinc/57/95/57/524579557.db2.gz RZTZGSNUFUTMLG-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN Cc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1C ZINC000012754725 524586523 /nfs/dbraw/zinc/58/65/23/524586523.db2.gz DYGGINLAXLTGNE-UHFFFAOYSA-N 0 0 427.451 4.266 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1Cl ZINC000033128330 524586882 /nfs/dbraw/zinc/58/68/82/524586882.db2.gz URMCLNSANWAFSG-CQSZACIVSA-N 0 0 429.929 4.322 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c(OC)c1 ZINC000020722016 524590916 /nfs/dbraw/zinc/59/09/16/524590916.db2.gz WRDFTOVTRNHREZ-KRWDZBQOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NCCc2ccc(Cl)cc2)cs1 ZINC000016973786 524617459 /nfs/dbraw/zinc/61/74/59/524617459.db2.gz PUKDPRGPRNTWKD-UHFFFAOYSA-N 0 0 444.944 4.351 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000021857857 524625285 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Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2C)c1 ZINC000012216176 524690978 /nfs/dbraw/zinc/69/09/78/524690978.db2.gz VHJSIRUISOMEQU-UHFFFAOYSA-N 0 0 426.563 4.364 50 0 IIAARN Cc1cccc(Nc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)s2)c1 ZINC000017662736 524703859 /nfs/dbraw/zinc/70/38/59/524703859.db2.gz LXKJLEJQVHDCAB-SFHVURJKSA-N 0 0 426.567 4.282 50 0 IIAARN COc1ccccc1[C@@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012784841 524719725 /nfs/dbraw/zinc/71/97/25/524719725.db2.gz JTDFQUWNNYXIOR-MRXNPFEDSA-N 0 0 433.533 4.319 50 0 IIAARN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N(C)C ZINC000021805271 524732350 /nfs/dbraw/zinc/73/23/50/524732350.db2.gz KUQROEDEKADUNG-GOSISDBHSA-N 0 0 444.329 4.145 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000021045356 524732752 /nfs/dbraw/zinc/73/27/52/524732752.db2.gz JOCDQPKNLFBFOA-LJQANCHMSA-N 0 0 432.351 4.004 50 0 IIAARN Cc1cccc(OCCN(C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1 ZINC000012756362 524740086 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IIAARN C[C@H](NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000035380107 524954365 /nfs/dbraw/zinc/95/43/65/524954365.db2.gz QPTBUMJMEVTXQF-IBGZPJMESA-N 0 0 433.577 4.050 50 0 IIAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)NCc2ccco2)cc1 ZINC000041146159 524963465 /nfs/dbraw/zinc/96/34/65/524963465.db2.gz BYDYVTKOTVYFIB-UHFFFAOYSA-N 0 0 437.521 4.125 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2cc3ccccc3n2C)o1)c1nc2ccccc2n1C ZINC000033317933 524979537 /nfs/dbraw/zinc/97/95/37/524979537.db2.gz BSNRQGQWHSFKKU-AWEZNQCLSA-N 0 0 446.536 4.085 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000012879189 525025353 /nfs/dbraw/zinc/02/53/53/525025353.db2.gz BSGQKXDBISERIE-UHFFFAOYSA-N 0 0 448.972 4.194 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1SC(C)C ZINC000032933509 525025476 /nfs/dbraw/zinc/02/54/76/525025476.db2.gz ABAYHIOQCOPNNP-UHFFFAOYSA-N 0 0 449.598 4.018 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015391218 525026823 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Cc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000658981 555526115 /nfs/dbraw/zinc/52/61/15/555526115.db2.gz ZBNPHRLSEQYZHM-UHFFFAOYSA-N 0 0 436.577 4.119 50 0 IIAARN C[C@H](Oc1ccc(I)cc1)C(=O)Nc1ccccc1Br ZINC000000668501 555529940 /nfs/dbraw/zinc/52/99/40/555529940.db2.gz YWFDUTRKTGPBKH-JTQLQIEISA-N 0 0 446.082 4.460 50 0 IIAARN CCOC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1cnccn1 ZINC000000673625 555532250 /nfs/dbraw/zinc/53/22/50/555532250.db2.gz LTLBVBAFMIJMMW-UHFFFAOYSA-N 0 0 432.299 4.397 50 0 IIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3N2)cc1 ZINC000000674785 555533779 /nfs/dbraw/zinc/53/37/79/555533779.db2.gz OYAHUQLNUQMZIM-MOPGFXCFSA-N 0 0 430.430 4.482 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000000676968 555535219 /nfs/dbraw/zinc/53/52/19/555535219.db2.gz LOJWGBNLNKSHOY-UHFFFAOYSA-N 0 0 445.591 4.090 50 0 aggregator IIAARN [O-][n+]1onc2c1c(-c1ccc(Br)cc1)nnc2-c1ccc(Br)cc1 ZINC000000677635 555535765 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O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000000784699 555556170 /nfs/dbraw/zinc/55/61/70/555556170.db2.gz LXIKADUBBRRBQR-UHFFFAOYSA-N 0 0 449.388 4.201 50 0 IIAARN COc1ccc(-c2nnc(NC(=O)c3ccccc3I)s2)cc1 ZINC000000806025 555559914 /nfs/dbraw/zinc/55/99/14/555559914.db2.gz UAQACPOMHSOZEX-UHFFFAOYSA-N 0 0 437.262 4.071 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)c1cccc(Br)c1 ZINC000000817325 555563128 /nfs/dbraw/zinc/56/31/28/555563128.db2.gz WKEGEVBRYFTUHW-UHFFFAOYSA-N 0 0 433.327 4.007 50 0 IIAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1Br ZINC000000826740 555565086 /nfs/dbraw/zinc/56/50/86/555565086.db2.gz YTTWDIOCTVIQJQ-UHFFFAOYSA-N 0 0 437.359 4.312 50 0 IIAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000000845160 555568987 /nfs/dbraw/zinc/56/89/87/555568987.db2.gz VERUWRGLYRQVEF-NSHDSACASA-N 0 0 442.507 4.160 50 0 IIAARN O=C(CSc1nc2ccccc2o1)Nc1ncc(Br)cc1Br ZINC000000855556 555571053 /nfs/dbraw/zinc/57/10/53/555571053.db2.gz JIPYFUVICOIRGW-UHFFFAOYSA-N 0 0 443.120 4.479 50 0 IIAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2C)cc1 ZINC000000862133 555572603 /nfs/dbraw/zinc/57/26/03/555572603.db2.gz RMRGCVAMNLVJPK-UHFFFAOYSA-N 0 0 435.475 4.485 50 0 IIAARN COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000000876691 555576141 /nfs/dbraw/zinc/57/61/41/555576141.db2.gz BYOKDOATTVAMKE-LTHSRMNQSA-N 0 0 442.899 4.245 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1OC ZINC000000881514 555577523 /nfs/dbraw/zinc/57/75/23/555577523.db2.gz ZPAJRAGTZHRGFV-UHFFFAOYSA-N 0 0 434.477 4.034 50 0 IIAARN Cc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000000884822 555578686 /nfs/dbraw/zinc/57/86/86/555578686.db2.gz DGSCFQBJNNGFNK-UHFFFAOYSA-N 0 0 434.521 4.305 50 0 IIAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3N2)c1 ZINC000000884159 555578748 /nfs/dbraw/zinc/57/87/48/555578748.db2.gz MFHRYDDFQIOIPG-MOPGFXCFSA-N 0 0 430.430 4.482 50 0 IIAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1ccncc1 ZINC000000885376 555578945 /nfs/dbraw/zinc/57/89/45/555578945.db2.gz FGPSUPQQPAZICP-UHFFFAOYSA-N 0 0 430.455 4.065 50 0 IIAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C ZINC000000894684 555580330 /nfs/dbraw/zinc/58/03/30/555580330.db2.gz WAXBOBZIAQHGLL-UHFFFAOYSA-N 0 0 447.358 4.196 50 0 IIAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C(C)=O)c2ccccc21 ZINC000000910825 555582587 /nfs/dbraw/zinc/58/25/87/555582587.db2.gz KRJRHQQIGQWFAZ-IOXNAGQWSA-N 0 0 437.495 4.225 50 0 IIAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1OC ZINC000000919524 555584048 /nfs/dbraw/zinc/58/40/48/555584048.db2.gz SCKVSCHGIWZMOG-YVEFUNNKSA-N 0 0 436.390 4.406 50 0 IIAARN COc1ccc(OC)c(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000000941293 555587086 /nfs/dbraw/zinc/58/70/86/555587086.db2.gz RLFHPXVLWKOASJ-UHFFFAOYSA-N 0 0 427.671 4.446 50 0 IIAARN Cn1c(SCC(=O)NCc2cccnc2)nnc1-c1sc2ccccc2c1Cl ZINC000000948022 555588440 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CCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001015029 555602566 /nfs/dbraw/zinc/60/25/66/555602566.db2.gz VTLPPOLVTOZLMV-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000001017077 555602816 /nfs/dbraw/zinc/60/28/16/555602816.db2.gz PHWUIOBQZZQHNB-NSHDSACASA-N 0 0 443.135 4.304 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1OC ZINC000001029973 555605455 /nfs/dbraw/zinc/60/54/55/555605455.db2.gz FVMDDKAUXULFJX-UHFFFAOYSA-N 0 0 440.237 4.286 50 0 IIAARN COc1ccc(Br)c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1Cl ZINC000001031262 555605996 /nfs/dbraw/zinc/60/59/96/555605996.db2.gz YJCVVQYMYWWAPT-UHFFFAOYSA-N 0 0 427.682 4.390 50 0 IIAARN CCOC(=O)c1c(NC(=O)Nc2ccccc2)nc(SC)n1-c1ccccc1OC ZINC000001034941 555607646 /nfs/dbraw/zinc/60/76/46/555607646.db2.gz LAWLLISGNVMJDJ-UHFFFAOYSA-N 0 0 426.498 4.424 50 0 IIAARN O=C(Nc1cccc(F)c1C(=O)NCCc1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000001037894 555608722 /nfs/dbraw/zinc/60/87/22/555608722.db2.gz HXAXRELJAPNQID-UHFFFAOYSA-N 0 0 431.389 4.464 50 0 IIAARN COC(=O)Cc1c(C)c2c(OCc3ccc(Br)cc3)cc(C)cc2oc1=O ZINC000001050200 555612699 /nfs/dbraw/zinc/61/26/99/555612699.db2.gz ZJJNWRNGMOXHCB-UHFFFAOYSA-N 0 0 431.282 4.467 50 0 IIAARN CCc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000001051813 555613298 /nfs/dbraw/zinc/61/32/98/555613298.db2.gz WAKHREOGTLMGAW-KRWDZBQOSA-N 0 0 447.354 4.015 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCCC2)cc1Cl ZINC000001051541 555613385 /nfs/dbraw/zinc/61/33/85/555613385.db2.gz ZLJZPRFFHLMWJI-UHFFFAOYSA-N 0 0 436.961 4.311 50 0 IIAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)c1 ZINC000001053344 555613951 /nfs/dbraw/zinc/61/39/51/555613951.db2.gz RAFQJIRZBYLWEL-YBEGLDIGSA-N 0 0 431.311 4.433 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1OC ZINC000001066880 555618751 /nfs/dbraw/zinc/61/87/51/555618751.db2.gz PZFOUGLLIYYGPJ-UHFFFAOYSA-N 0 0 449.532 4.012 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccncc1 ZINC000001066597 555618782 /nfs/dbraw/zinc/61/87/82/555618782.db2.gz FAFLETPCEABTLT-QFIPXVFZSA-N 0 0 427.287 4.396 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)Cc2ccc(F)cc2)cc1 ZINC000001072862 555622127 /nfs/dbraw/zinc/62/21/27/555622127.db2.gz OJINNOAUPUQTRP-UHFFFAOYSA-N 0 0 448.466 4.242 50 0 IIAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(CC)cc2)cc(Cl)c1O ZINC000001110201 555631076 /nfs/dbraw/zinc/63/10/76/555631076.db2.gz SWLMGKVHMOQYJS-LJQANCHMSA-N 0 0 429.904 4.273 50 0 IIAARN Cc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1OCC(=O)NC1CCCCC1 ZINC000001115973 555634501 /nfs/dbraw/zinc/63/45/01/555634501.db2.gz MGFNXWYSLOODOM-UHFFFAOYSA-N 0 0 443.009 4.041 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1I ZINC000001116397 555634634 /nfs/dbraw/zinc/63/46/34/555634634.db2.gz KGGYUVDEFXUNAB-UHFFFAOYSA-N 0 0 439.274 4.254 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1Cl ZINC000001117946 555635575 /nfs/dbraw/zinc/63/55/75/555635575.db2.gz WKIGSHSUNWSFIV-UHFFFAOYSA-N 0 0 443.396 4.438 50 0 IIAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1C ZINC000001119777 555636947 /nfs/dbraw/zinc/63/69/47/555636947.db2.gz NSSCQPDRVGJOHD-UHFFFAOYSA-N 0 0 442.560 4.486 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000001119982 555637018 /nfs/dbraw/zinc/63/70/18/555637018.db2.gz WWYVMWJDFIVGON-VWLOTQADSA-N 0 0 446.528 4.120 50 0 IIAARN COc1ccc(NC(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1OC ZINC000001121543 555638188 /nfs/dbraw/zinc/63/81/88/555638188.db2.gz JTJHVWQAQKNPPY-UHFFFAOYSA-N 0 0 431.290 4.355 50 0 IIAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)cc1Br ZINC000001126812 555641316 /nfs/dbraw/zinc/64/13/16/555641316.db2.gz UXGZAFXBWIDOPO-SFHVURJKSA-N 0 0 430.302 4.033 50 0 IIAARN COc1cc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC ZINC000001127308 555641979 /nfs/dbraw/zinc/64/19/79/555641979.db2.gz MKXTWKPWGBFXHD-UHFFFAOYSA-N 0 0 443.550 4.271 50 0 IIAARN 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/nfs/dbraw/zinc/30/55/69/556305569.db2.gz UWQFXDYUNSLVTM-UHFFFAOYSA-N 0 0 444.004 4.336 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OC)cc2)C1=O ZINC000009804747 556308958 /nfs/dbraw/zinc/30/89/58/556308958.db2.gz CBYGRVVCFBSXTJ-OAQYLSRUSA-N 0 0 432.314 4.065 50 0 IIAARN CCc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000009830317 556310709 /nfs/dbraw/zinc/31/07/09/556310709.db2.gz QCOAOXPOVIUFKY-UHFFFAOYSA-N 0 0 448.523 4.272 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 ZINC000032744924 556314178 /nfs/dbraw/zinc/31/41/78/556314178.db2.gz IESPTGUHWGQWKN-UHFFFAOYSA-N 0 0 440.569 4.146 50 0 IIAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccs3)c3ccc(Br)cc32)o1 ZINC000009926141 556317076 /nfs/dbraw/zinc/31/70/76/556317076.db2.gz BQWCCBHTMLOOGU-FQEVSTJZSA-N 0 0 446.322 4.419 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000009933949 556317308 /nfs/dbraw/zinc/31/73/08/556317308.db2.gz SQWOBZJJOCVUQP-NRFANRHFSA-N 0 0 449.532 4.431 50 0 IIAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)cc1 ZINC000009934024 556317568 /nfs/dbraw/zinc/31/75/68/556317568.db2.gz AFNCZNYFIORZCG-FQEVSTJZSA-N 0 0 427.476 4.189 50 0 IIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)cc1 ZINC000009933991 556317605 /nfs/dbraw/zinc/31/76/05/556317605.db2.gz KQPGQBWCWKEBKB-FQEVSTJZSA-N 0 0 441.915 4.457 50 0 IIAARN CC(C)c1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2cccs2)cc1 ZINC000032759317 556319090 /nfs/dbraw/zinc/31/90/90/556319090.db2.gz XOTHPFWISMFWOH-NRFANRHFSA-N 0 0 442.562 4.384 50 0 IIAARN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1 ZINC000013856832 556321369 /nfs/dbraw/zinc/32/13/69/556321369.db2.gz QHDQNJNMMVSLOM-CYBMUJFWSA-N 0 0 433.291 4.079 50 0 IIAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000010059741 556324407 /nfs/dbraw/zinc/32/44/07/556324407.db2.gz KHNJQQIPVLMNHZ-UHFFFAOYSA-N 0 0 427.909 4.292 50 0 IIAARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](c2ccc(Cl)cc2)O1 ZINC000010079007 556325290 /nfs/dbraw/zinc/32/52/90/556325290.db2.gz WJLCADFGDBDAKO-SFHVURJKSA-N 0 0 437.677 4.267 50 0 IIAARN O=C(Cn1c2cc3c(cc2cc(CNc2ccccc2)c1=O)OCCO3)Nc1ccccc1 ZINC000010273287 556328732 /nfs/dbraw/zinc/32/87/32/556328732.db2.gz FHUVSJNUHHJOHC-UHFFFAOYSA-N 0 0 441.487 4.024 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000013896733 556329815 /nfs/dbraw/zinc/32/98/15/556329815.db2.gz IVRHEMPVXLQHME-UHFFFAOYSA-N 0 0 438.505 4.143 50 0 IIAARN O=c1[nH]c2ccccc2cc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000032769260 556334062 /nfs/dbraw/zinc/33/40/62/556334062.db2.gz ANTRVRBCKHFTIH-QHCPKHFHSA-N 0 0 425.444 4.024 50 0 IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(CSC(F)F)o1 ZINC000032770853 556334837 /nfs/dbraw/zinc/33/48/37/556334837.db2.gz YXORPROQNBSRAD-UHFFFAOYSA-N 0 0 425.482 4.434 50 0 IIAARN NC(=O)CSCCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000032772322 556335217 /nfs/dbraw/zinc/33/52/17/556335217.db2.gz SAROPTMEVSUXJP-UHFFFAOYSA-N 0 0 425.373 4.147 50 0 IIAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032774458 556336543 /nfs/dbraw/zinc/33/65/43/556336543.db2.gz ZTIXWNMYVFQNHH-AWEZNQCLSA-N 0 0 435.509 4.039 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccc(F)cc45)C3)sc2c1 ZINC000013944919 556342342 /nfs/dbraw/zinc/34/23/42/556342342.db2.gz QPYZFTQAUKDQOL-OAHLLOKOSA-N 0 0 436.512 4.255 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccn3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011582433 556342396 /nfs/dbraw/zinc/34/23/96/556342396.db2.gz CABXKYXOJAOEDY-HSALFYBXSA-N 0 0 439.393 4.152 50 0 IIAARN O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944859 556342395 /nfs/dbraw/zinc/34/23/95/556342395.db2.gz IHBAKKXCQWJJGF-CQSZACIVSA-N 0 0 444.304 4.099 50 0 IIAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000011662951 556344313 /nfs/dbraw/zinc/34/43/13/556344313.db2.gz PHXZMKHKBOAZGV-QFIPXVFZSA-N 0 0 428.536 4.443 50 0 IIAARN CCN(Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F)Cc1ccccc1 ZINC000011664178 556344695 /nfs/dbraw/zinc/34/46/95/556344695.db2.gz DZGKBZTVPZHEAN-UHFFFAOYSA-N 0 0 429.561 4.275 50 0 IIAARN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781498 556349639 /nfs/dbraw/zinc/34/96/39/556349639.db2.gz OVQYVZWCGVBGEM-SZNDQCEHSA-N 0 0 426.538 4.476 50 0 IIAARN CCCCCCC(=O)N(CCOC)CC(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000004505991 556358563 /nfs/dbraw/zinc/35/85/63/556358563.db2.gz MRCALQBXUDIQTC-UHFFFAOYSA-N 0 0 428.573 4.296 50 0 IIAARN O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)NCc1ccco1 ZINC000014084346 556364043 /nfs/dbraw/zinc/36/40/43/556364043.db2.gz VMZDERQCEBDFBM-UHFFFAOYSA-N 0 0 439.320 4.246 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COc1ccc(C(C)(C)CC)cc1 ZINC000032797470 556364304 /nfs/dbraw/zinc/36/43/04/556364304.db2.gz KLZXPOYQGCONNV-UHFFFAOYSA-N 0 0 446.569 4.298 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 ZINC000014095609 556367480 /nfs/dbraw/zinc/36/74/80/556367480.db2.gz HPQUZWMNHLIBTP-UHFFFAOYSA-N 0 0 430.913 4.121 50 0 IIAARN Nn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F ZINC000014109309 556369034 /nfs/dbraw/zinc/36/90/34/556369034.db2.gz WLMLPTUUNMQCCY-UHFFFAOYSA-N 0 0 435.322 4.316 50 0 IIAARN COc1cc(C[C@]2(CCC(=O)NCCc3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011881297 556372949 /nfs/dbraw/zinc/37/29/49/556372949.db2.gz FACYUGLABMLZEA-MHZLTWQESA-N 0 0 448.538 4.318 50 0 IIAARN Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H]1Cc2cccc(-c3nc(C)cnc3C)c2O1 ZINC000011882361 556373701 /nfs/dbraw/zinc/37/37/01/556373701.db2.gz JAOTYCVIQZDION-IBGZPJMESA-N 0 0 426.520 4.213 50 0 IIAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@H]3Cc4cc(F)cc(-c5cccnc5)c4O3)c2)n1 ZINC000011910937 556374981 /nfs/dbraw/zinc/37/49/81/556374981.db2.gz IVJXIOPMNNGZFP-HSZRJFAPSA-N 0 0 442.494 4.424 50 0 IIAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@H]1CCC2(CCN(C(=O)CC(C)C)CC2)O1 ZINC000011910158 556375012 /nfs/dbraw/zinc/37/50/12/556375012.db2.gz SFAXPINJDMADEI-GOSISDBHSA-N 0 0 445.991 4.446 50 0 IIAARN O=C(CN1CCN(C(=O)c2cc(Cl)sc2Cl)CC1)Nc1ccccc1Cl ZINC000014160567 556378154 /nfs/dbraw/zinc/37/81/54/556378154.db2.gz BVCYFAYDSDPCBJ-UHFFFAOYSA-N 0 0 432.760 4.105 50 0 IIAARN O=C(COc1ccccc1Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000014169180 556380913 /nfs/dbraw/zinc/38/09/13/556380913.db2.gz LOVHILDOJCGWCZ-UHFFFAOYSA-N 0 0 444.531 4.239 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCOCC2)cc1 ZINC000014171296 556381559 /nfs/dbraw/zinc/38/15/59/556381559.db2.gz XZOZBBDBFWCZCC-NRFANRHFSA-N 0 0 440.927 4.412 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000011976016 556383013 /nfs/dbraw/zinc/38/30/13/556383013.db2.gz KSSPZVCCTODGCD-HSZRJFAPSA-N 0 0 438.531 4.214 50 0 IIAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCc2c(C)n[nH]c2C)C3)s1 ZINC000011978887 556383539 /nfs/dbraw/zinc/38/35/39/556383539.db2.gz DVISZDQDQSOBOU-QGZVFWFLSA-N 0 0 441.528 4.149 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 ZINC000011990382 556383920 /nfs/dbraw/zinc/38/39/20/556383920.db2.gz VYUNVZGWFJXCMS-UTKZUKDTSA-N 0 0 436.265 4.391 50 0 IIAARN CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)Cc1cnn(-c2ccccc2)c1 ZINC000014184993 556385217 /nfs/dbraw/zinc/38/52/17/556385217.db2.gz JODRTNBAAKLLLN-HXUWFJFHSA-N 0 0 445.592 4.320 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3nnc(N4CCCCC4)n3C3CC3)sc2c1 ZINC000014187087 556386409 /nfs/dbraw/zinc/38/64/09/556386409.db2.gz JOVIDQPWSLNRBH-UHFFFAOYSA-N 0 0 428.587 4.252 50 0 IIAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1C ZINC000014189892 556387609 /nfs/dbraw/zinc/38/76/09/556387609.db2.gz VOROPYSDDIUKQN-SNVBAGLBSA-N 0 0 428.539 4.067 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000014196551 556388131 /nfs/dbraw/zinc/38/81/31/556388131.db2.gz AUHMJQFIKCBANL-GFCCVEGCSA-N 0 0 427.457 4.141 50 0 IIAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000012030194 556388601 /nfs/dbraw/zinc/38/86/01/556388601.db2.gz KDGSEVDSEWOUQI-UHFFFAOYSA-N 0 0 448.542 4.390 50 0 IIAARN COc1ccccc1[C@H]1CN(CCNC(=O)c2sc(C)nc2C)Cc2ccccc2O1 ZINC000012034367 556389165 /nfs/dbraw/zinc/38/91/65/556389165.db2.gz ZOJDGKBNDDVKHY-JOCHJYFZSA-N 0 0 437.565 4.134 50 0 IIAARN CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2c(C)n(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000012035218 556389487 /nfs/dbraw/zinc/38/94/87/556389487.db2.gz HUTOFANWXDSOKY-VWNXMTODSA-N 0 0 442.563 4.321 50 0 IIAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)c2)n1 ZINC000012053939 556393169 /nfs/dbraw/zinc/39/31/69/556393169.db2.gz SANCEJTWIMGEQE-UHFFFAOYSA-N 0 0 434.931 4.055 50 0 IIAARN O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCSc1ccc(F)cc1 ZINC000032817817 556393382 /nfs/dbraw/zinc/39/33/82/556393382.db2.gz NJEQUFZCXSILLL-UHFFFAOYSA-N 0 0 428.485 4.348 50 0 IIAARN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000032809305 556394046 /nfs/dbraw/zinc/39/40/46/556394046.db2.gz JAZZTKGFJIGMAT-LBPRGKRZSA-N 0 0 445.343 4.408 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012073175 556396404 /nfs/dbraw/zinc/39/64/04/556396404.db2.gz OYZXALDFFZJTQB-QHCPKHFHSA-N 0 0 435.442 4.141 50 0 IIAARN CN(C)C(=O)[C@H]1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000032810465 556396683 /nfs/dbraw/zinc/39/66/83/556396683.db2.gz ZMEXXMJQDMEXMH-PKTZIBPZSA-N 0 0 432.545 4.402 50 0 IIAARN CCn1nc(C)cc1C(=O)NC[C@H]1Cc2cc(C)cc(-c3cc(C(C)=O)ccc3F)c2O1 ZINC000012077914 556398313 /nfs/dbraw/zinc/39/83/13/556398313.db2.gz ZXMXCNHWBFLZMG-LJQANCHMSA-N 0 0 435.499 4.262 50 0 IIAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCSc1ccccc1 ZINC000014244206 556403908 /nfs/dbraw/zinc/40/39/08/556403908.db2.gz NPGHSQVDYJULGK-UHFFFAOYSA-N 0 0 445.635 4.005 50 0 IIAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000014246915 556406905 /nfs/dbraw/zinc/40/69/05/556406905.db2.gz NXZIMDQSJCLILZ-QGZVFWFLSA-N 0 0 447.564 4.010 50 0 IIAARN Cc1cccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)c1C ZINC000032623400 556410440 /nfs/dbraw/zinc/41/04/40/556410440.db2.gz 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CCOc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2OCC)CC1 ZINC000016215768 556591923 /nfs/dbraw/zinc/59/19/23/556591923.db2.gz OUYJLYGPQNWYRZ-UHFFFAOYSA-N 0 0 444.626 4.195 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083874 556592749 /nfs/dbraw/zinc/59/27/49/556592749.db2.gz DFMAWWLWNVVXJF-QHCPKHFHSA-N 0 0 436.508 4.098 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 ZINC000016262940 556595106 /nfs/dbraw/zinc/59/51/06/556595106.db2.gz IMGNSQCEFQXDEA-FQEVSTJZSA-N 0 0 439.878 4.101 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1O ZINC000016269665 556596207 /nfs/dbraw/zinc/59/62/07/556596207.db2.gz MGFRJSJDESDPCX-UHFFFAOYSA-N 0 0 429.723 4.252 50 0 IIAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 ZINC000100860578 556597751 /nfs/dbraw/zinc/59/77/51/556597751.db2.gz FMCSYPWRQHJXDQ-GHVJWSGMSA-N 0 0 445.610 4.100 50 0 IIAARN C[C@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000036611960 556598426 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IIAARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 ZINC000016425076 556606351 /nfs/dbraw/zinc/60/63/51/556606351.db2.gz HTKYQOLCAGVVTJ-DEOSSOPVSA-N 0 0 443.572 4.375 50 0 IIAARN Cc1ccccc1CNC(=O)CSCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987135 556606922 /nfs/dbraw/zinc/60/69/22/556606922.db2.gz UFZHIISOWXCLIP-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000016474817 556610227 /nfs/dbraw/zinc/61/02/27/556610227.db2.gz CBPMFTIGLSWXQH-XMMPIXPASA-N 0 0 427.504 4.210 50 0 IIAARN O=C(NC[C@@H](O)c1cccc(Cl)c1)c1cc(Br)c(Br)s1 ZINC000032915248 556611694 /nfs/dbraw/zinc/61/16/94/556611694.db2.gz ZVLZHKFOOCMAFR-SNVBAGLBSA-N 0 0 439.556 4.390 50 0 IIAARN COc1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC ZINC000016499377 556612987 /nfs/dbraw/zinc/61/29/87/556612987.db2.gz ZXYKZJSRQIBCTA-HNNXBMFYSA-N 0 0 449.536 4.241 50 0 IIAARN COc1ccc(-c2cc3ncnc(N4CCC[C@@H](c5nnc6n5CCC6)C4)c3s2)cc1 ZINC000032916243 556614582 /nfs/dbraw/zinc/61/45/82/556614582.db2.gz OGUZAKGRWJLCBI-MRXNPFEDSA-N 0 0 432.553 4.289 50 0 IIAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000016687775 556625494 /nfs/dbraw/zinc/62/54/94/556625494.db2.gz CXEITXGKWAXKHM-UHFFFAOYSA-N 0 0 434.492 4.114 50 0 IIAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)CN1Cc2cc(C)ccc2O[C@@H](c2ccsc2)C1 ZINC000039353903 556628018 /nfs/dbraw/zinc/62/80/18/556628018.db2.gz IVACZMZUGLULSF-KSFYIVLOSA-N 0 0 438.597 4.220 50 0 IIAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc2c(c1)OCO2 ZINC000033740387 556629324 /nfs/dbraw/zinc/62/93/24/556629324.db2.gz ZLGMXXJSHFOZQI-UHFFFAOYSA-N 0 0 448.519 4.132 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000033748645 556629795 /nfs/dbraw/zinc/62/97/95/556629795.db2.gz MAIAZVDVDFDNIQ-VYLZPFMQSA-N 0 0 426.538 4.379 50 0 IIAARN CC(C)COc1ccc(-c2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3n2)cc1 ZINC000016728859 556631061 /nfs/dbraw/zinc/63/10/61/556631061.db2.gz IVGPFTXCIRKGSP-ZDLGFXPLSA-N 0 0 429.904 4.193 50 0 IIAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4OC)CC3)sc2c1 ZINC000005086072 556631959 /nfs/dbraw/zinc/63/19/59/556631959.db2.gz WPXFLTXZNFFBGU-UHFFFAOYSA-N 0 0 425.554 4.236 50 0 IIAARN CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(OCCC)cc3)nn2c1=O ZINC000016733333 556632492 /nfs/dbraw/zinc/63/24/92/556632492.db2.gz DCQHUKXQZXJYAH-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN CCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OCC ZINC000016735639 556633068 /nfs/dbraw/zinc/63/30/68/556633068.db2.gz NUQFPWPKAISLET-YLEGLNDPSA-N 0 0 447.560 4.365 50 0 IIAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ccc(OC)cc4)C3)sc2c1 ZINC000005105558 556635410 /nfs/dbraw/zinc/63/54/10/556635410.db2.gz WQJTVQGDBSCSAC-QGZVFWFLSA-N 0 0 425.554 4.236 50 0 IIAARN O=C(c1cc(Br)ccc1OC(F)F)N1CCN(Cc2cccc(F)c2)CC1 ZINC000033796081 556636130 /nfs/dbraw/zinc/63/61/30/556636130.db2.gz QBUJIWRFBYETEF-UHFFFAOYSA-N 0 0 443.263 4.148 50 0 IIAARN Cc1ccc(CN(C(=O)c2oc3cc(C)c(Cl)cc3c2C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000016742452 556636277 /nfs/dbraw/zinc/63/62/77/556636277.db2.gz LCWBXNCBCYOQAL-HNNXBMFYSA-N 0 0 435.929 4.434 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000016780985 556641603 /nfs/dbraw/zinc/64/16/03/556641603.db2.gz MUBJIVAOFQWZNE-UHFFFAOYSA-N 0 0 426.314 4.256 50 0 IIAARN C[C@@H]1CN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)C[C@H](C)O1 ZINC000016810093 556644813 /nfs/dbraw/zinc/64/48/13/556644813.db2.gz CXSCUVVCGGBIJB-GASCZTMLSA-N 0 0 426.900 4.161 50 0 IIAARN Cc1ccc(-c2csc3ncn(CCS(=O)(=O)Oc4ccccc4)c(=O)c23)cc1C ZINC000016818457 556644930 /nfs/dbraw/zinc/64/49/30/556644930.db2.gz JCWOESMBDPWVAK-UHFFFAOYSA-N 0 0 440.546 4.151 50 0 IIAARN O=C(c1ccc(F)cc1)N(C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1)C1CCCC1 ZINC000037609533 556645885 /nfs/dbraw/zinc/64/58/85/556645885.db2.gz HBYDUFVIWDGAEJ-FQEVSTJZSA-N 0 0 444.934 4.405 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602052 556646388 /nfs/dbraw/zinc/64/63/88/556646388.db2.gz LYKDMIXSELLWMZ-JWQCQUIFSA-N 0 0 432.564 4.315 50 0 IIAARN CNC(=O)c1ccc(CN(C)Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)cc1 ZINC000016878282 556648022 /nfs/dbraw/zinc/64/80/22/556648022.db2.gz FWOWGBRQWLYTGY-UHFFFAOYSA-N 0 0 427.599 4.484 50 0 IIAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000016963948 556651424 /nfs/dbraw/zinc/65/14/24/556651424.db2.gz ZSZUVWKYVKTUHW-VWLOTQADSA-N 0 0 432.545 4.428 50 0 IIAARN COc1ccc(CC(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000011757742 556651810 /nfs/dbraw/zinc/65/18/10/556651810.db2.gz RGAYMPZOSSBKPS-UHFFFAOYSA-N 0 0 438.471 4.397 50 0 IIAARN Cc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1Cl ZINC000011758606 556653145 /nfs/dbraw/zinc/65/31/45/556653145.db2.gz RNWUXBXWBPJBHE-UHFFFAOYSA-N 0 0 428.880 4.042 50 0 IIAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 ZINC000011758601 556653179 /nfs/dbraw/zinc/65/31/79/556653179.db2.gz LVLMBPQLBVTUDS-UHFFFAOYSA-N 0 0 436.516 4.423 50 0 IIAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000011758615 556653452 /nfs/dbraw/zinc/65/34/52/556653452.db2.gz FZMMXUNRLAJFKK-UHFFFAOYSA-N 0 0 448.405 4.099 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000032926275 556655461 /nfs/dbraw/zinc/65/54/61/556655461.db2.gz OKPBGHIWRYQHEG-UHFFFAOYSA-N 0 0 439.493 4.211 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccn1 ZINC000017086739 556657549 /nfs/dbraw/zinc/65/75/49/556657549.db2.gz UHMJCCOLYGZFHN-JOCHJYFZSA-N 0 0 427.287 4.396 50 0 IIAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4C)ccc3n2)CC1 ZINC000033010343 556658077 /nfs/dbraw/zinc/65/80/77/556658077.db2.gz HFQVLYXGKMCCDS-UHFFFAOYSA-N 0 0 432.524 4.026 50 0 IIAARN COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000011829892 556658911 /nfs/dbraw/zinc/65/89/11/556658911.db2.gz VUOFMWGNDYZJBI-UHFFFAOYSA-N 0 0 445.566 4.022 50 0 IIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(Cc2ccc(C(=O)OC)cc2)c1=O ZINC000033011882 556660068 /nfs/dbraw/zinc/66/00/68/556660068.db2.gz PDYAZVOKDUMDRY-UHFFFAOYSA-N 0 0 441.487 4.247 50 0 IIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000033011876 556660156 /nfs/dbraw/zinc/66/01/56/556660156.db2.gz UNIZVNYKCYBOKW-UHFFFAOYSA-N 0 0 446.894 4.314 50 0 IIAARN C[C@@]1(Cc2cncnc2)C(=O)N(c2nc[nH]n2)c2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000043203632 556661062 /nfs/dbraw/zinc/66/10/62/556661062.db2.gz OABSWPUPIHULMQ-QFIPXVFZSA-N 0 0 434.862 4.233 50 0 IIAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000013914020 556661832 /nfs/dbraw/zinc/66/18/32/556661832.db2.gz FYEJKQDFPYZNNR-XESZTULISA-N 0 0 428.488 4.444 50 0 IIAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2Cl)[nH]c(=O)c1C ZINC000011854923 556662177 /nfs/dbraw/zinc/66/21/77/556662177.db2.gz JRRAWBUZBPZDHH-UHFFFAOYSA-N 0 0 443.891 4.346 50 0 IIAARN COc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccccc3OC)n2)cc1 ZINC000033013032 556662408 /nfs/dbraw/zinc/66/24/08/556662408.db2.gz NSOFZMZHWPJVFZ-UHFFFAOYSA-N 0 0 445.475 4.263 50 0 IIAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 ZINC000011852522 556662616 /nfs/dbraw/zinc/66/26/16/556662616.db2.gz HNHSQLGVHJFITP-UHFFFAOYSA-N 0 0 441.534 4.157 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=S)N(C)Cc1c(C)nn(C)c1C)CCCCC2 ZINC000017099187 556664490 /nfs/dbraw/zinc/66/44/90/556664490.db2.gz IUUGNCYYYJNEQL-UHFFFAOYSA-N 0 0 434.631 4.373 50 0 IIAARN CCCCOc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc2c1C ZINC000011867124 556664891 /nfs/dbraw/zinc/66/48/91/556664891.db2.gz NHFAXISHLPUFFJ-AFMDSPMNSA-N 0 0 441.568 4.285 50 0 biogenic IIAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000017100099 556665230 /nfs/dbraw/zinc/66/52/30/556665230.db2.gz HVGXTHVXEPCYLQ-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1Cl ZINC000033018970 556665762 /nfs/dbraw/zinc/66/57/62/556665762.db2.gz JZCYZHPPSOCDQI-HNNXBMFYSA-N 0 0 435.915 4.400 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2cccc(Cl)c2)cc1 ZINC000044170452 556666455 /nfs/dbraw/zinc/66/64/55/556666455.db2.gz WSOSAJYCQXORQZ-UHFFFAOYSA-N 0 0 434.970 4.465 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000011883089 556668636 /nfs/dbraw/zinc/66/86/36/556668636.db2.gz JVJXZWQGSBXRDK-UHFFFAOYSA-N 0 0 438.530 4.471 50 0 IIAARN COc1ccccc1-c1nc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)cs1 ZINC000017134373 556669113 /nfs/dbraw/zinc/66/91/13/556669113.db2.gz IFADPGQEWWZGOK-UHFFFAOYSA-N 0 0 442.562 4.476 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)c1C2 ZINC000248206221 556676215 /nfs/dbraw/zinc/67/62/15/556676215.db2.gz BBLGFTAMNVMXFH-HXUWFJFHSA-N 0 0 431.496 4.002 50 0 IIAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017986737 556680698 /nfs/dbraw/zinc/68/06/98/556680698.db2.gz ZJDAOUVKRNSFRV-JSNMRZPZSA-N 0 0 439.895 4.305 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000012007813 556680753 /nfs/dbraw/zinc/68/07/53/556680753.db2.gz JOOLPFAWZKQMIA-OAHLLOKOSA-N 0 0 433.468 4.157 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012007913 556680757 /nfs/dbraw/zinc/68/07/57/556680757.db2.gz GCISCSXLWBENRF-UHFFFAOYSA-N 0 0 429.436 4.338 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000017988115 556681322 /nfs/dbraw/zinc/68/13/22/556681322.db2.gz WCPCXJDWGDEQRA-ROUUACIJSA-N 0 0 427.298 4.381 50 0 IIAARN O=C(O[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]12)c1ccccc1 ZINC000239296969 556682097 /nfs/dbraw/zinc/68/20/97/556682097.db2.gz DNPZOTRCZLEXQU-ANZUNKEZSA-N 0 0 444.524 4.089 50 0 biogenic IIAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000072313115 556688123 /nfs/dbraw/zinc/68/81/23/556688123.db2.gz UXLKNSMLHYHBCE-OAQYLSRUSA-N 0 0 438.553 4.028 50 0 IIAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018271354 556688772 /nfs/dbraw/zinc/68/87/72/556688772.db2.gz BPBAVGSPVIPOAU-GOSISDBHSA-N 0 0 427.863 4.132 50 0 IIAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252483341 556690318 /nfs/dbraw/zinc/69/03/18/556690318.db2.gz DZGSAFCDWORODF-NRFANRHFSA-N 0 0 437.521 4.477 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)cc1 ZINC000046006561 556690605 /nfs/dbraw/zinc/69/06/05/556690605.db2.gz XLMDROFHOVBAIP-UHFFFAOYSA-N 0 0 444.535 4.304 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NCc1cccnc1 ZINC000046141435 556692969 /nfs/dbraw/zinc/69/29/69/556692969.db2.gz ZOTOWRWMSMADTF-UHFFFAOYSA-N 0 0 446.941 4.300 50 0 IIAARN CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000072314369 556700220 /nfs/dbraw/zinc/70/02/20/556700220.db2.gz PMBGXHQTDHUEEU-OAQYLSRUSA-N 0 0 449.946 4.066 50 0 IIAARN CC(C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027676 556707071 /nfs/dbraw/zinc/70/70/71/556707071.db2.gz YUZJQQSZDNFLIM-UHFFFAOYSA-N 0 0 442.516 4.284 50 0 IIAARN Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCCC(C)C)c3)s2)cc1 ZINC000033027798 556707785 /nfs/dbraw/zinc/70/77/85/556707785.db2.gz DUYLRDHSCZEQPB-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN CC(C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032291 556712795 /nfs/dbraw/zinc/71/27/95/556712795.db2.gz PBQVNAIKWUZBBI-UHFFFAOYSA-N 0 0 442.516 4.284 50 0 IIAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 ZINC000013704741 556713483 /nfs/dbraw/zinc/71/34/83/556713483.db2.gz ZIUWHIVINDHCAS-UHFFFAOYSA-N 0 0 441.578 4.087 50 0 IIAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F)c1ccc(F)cc1 ZINC000072328272 556724934 /nfs/dbraw/zinc/72/49/34/556724934.db2.gz MYNHBSNBBXILBC-UHFFFAOYSA-N 0 0 443.500 4.481 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000019295264 556734503 /nfs/dbraw/zinc/73/45/03/556734503.db2.gz KUIINCYFSZNEGH-UHFFFAOYSA-N 0 0 435.402 4.352 50 0 IIAARN COc1cccc(CN(C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)c1 ZINC000055245030 556738508 /nfs/dbraw/zinc/73/85/08/556738508.db2.gz DAPUQQJAYMSSNC-UHFFFAOYSA-N 0 0 441.597 4.154 50 0 IIAARN CN1CCN(C(=O)c2c3c(sc2NC(=O)c2ccco2)C[C@H](C(C)(C)C)CC3)CC1 ZINC000055481636 556741450 /nfs/dbraw/zinc/74/14/50/556741450.db2.gz JCUYMGCXNDCCTK-OAHLLOKOSA-N 0 0 429.586 4.132 50 0 IIAARN CCOC(=O)COc1ccc(F)cc1C(=O)c1ccn2nc(-c3ccc(C)cc3)cc2n1 ZINC000013828397 556744678 /nfs/dbraw/zinc/74/46/78/556744678.db2.gz GMZDWDLQAUCXQZ-UHFFFAOYSA-N 0 0 433.439 4.017 50 0 IIAARN CCOC(=O)COc1ccc(CC)cc1C(=O)c1ccn2nc(-c3ccc(F)cc3)cc2n1 ZINC000013828424 556744788 /nfs/dbraw/zinc/74/47/88/556744788.db2.gz GLVYCNVCMSYSEX-UHFFFAOYSA-N 0 0 447.466 4.271 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)cc(-c3ccccc3)n1)CC2 ZINC000019356370 556745206 /nfs/dbraw/zinc/74/52/06/556745206.db2.gz WQXSHNAUHGVVMY-UHFFFAOYSA-N 0 0 435.549 4.146 50 0 IIAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000019357800 556745395 /nfs/dbraw/zinc/74/53/95/556745395.db2.gz STUWPGZLSMHTMO-UHFFFAOYSA-N 0 0 429.860 4.052 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000033048887 556745528 /nfs/dbraw/zinc/74/55/28/556745528.db2.gz QCJVYVIJFXYCMD-UHFFFAOYSA-N 0 0 435.886 4.481 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccc(C(F)(F)F)cc1 ZINC000033048939 556746057 /nfs/dbraw/zinc/74/60/57/556746057.db2.gz JPGGIIYDJPXIFY-UHFFFAOYSA-N 0 0 437.421 4.399 50 0 IIAARN COc1ccccc1/C=C/[C@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2S[C@H](C)C(=O)N21 ZINC000002245642 556759794 /nfs/dbraw/zinc/75/97/94/556759794.db2.gz RAGHRWBEIDMDBK-XFYBZPILSA-N 0 0 448.544 4.428 50 0 IIAARN CN(CC(=O)Nc1ccccc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000046628058 556761481 /nfs/dbraw/zinc/76/14/81/556761481.db2.gz WUIZJCMVZGKGHO-UHFFFAOYSA-N 0 0 442.441 4.479 50 0 IIAARN Cc1cc(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005324561 556763506 /nfs/dbraw/zinc/76/35/06/556763506.db2.gz AEGVRUHFOUQYCR-UHFFFAOYSA-N 0 0 427.497 4.143 50 0 IIAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1 ZINC000058161413 556765165 /nfs/dbraw/zinc/76/51/65/556765165.db2.gz OLRCVMXTZXDWEO-SANMLTNESA-N 0 0 443.547 4.400 50 0 IIAARN Cc1ccc(-c2nc(CC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)cs2)o1 ZINC000058161568 556765503 /nfs/dbraw/zinc/76/55/03/556765503.db2.gz BGFQMANIIPCXNI-HNNXBMFYSA-N 0 0 426.416 4.002 50 0 IIAARN O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000062007371 556765719 /nfs/dbraw/zinc/76/57/19/556765719.db2.gz MZNGEVSORLEOAH-UHFFFAOYSA-N 0 0 427.838 4.422 50 0 IIAARN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058162370 556765965 /nfs/dbraw/zinc/76/59/65/556765965.db2.gz KRIJWFODEOOHOA-UHFFFAOYSA-N 0 0 438.837 4.056 50 0 IIAARN c1ccc(CO[C@H]2[C@@H]([C@H]3COC4(CCCCC4)O3)O[C@@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000061996963 556767097 /nfs/dbraw/zinc/76/70/97/556767097.db2.gz OAEPJJXLQXXGMV-XNBWIAOKSA-N 0 0 430.541 4.448 50 0 biogenic IIAARN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)c1C ZINC000058245516 556775214 /nfs/dbraw/zinc/77/52/14/556775214.db2.gz GVYNGADOUCVQSO-LJQANCHMSA-N 0 0 428.558 4.349 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)c2)cc1 ZINC000010657437 556775604 /nfs/dbraw/zinc/77/56/04/556775604.db2.gz RHZXZUJRFARLDE-INIZCTEOSA-N 0 0 438.505 4.016 50 0 IIAARN O=C(NCc1ccc(Br)s1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000058282619 556777464 /nfs/dbraw/zinc/77/74/64/556777464.db2.gz BJUCNMKHJQKPSR-UHFFFAOYSA-N 0 0 446.370 4.297 50 0 IIAARN O=C(Nc1ccccc1F)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000058290412 556777738 /nfs/dbraw/zinc/77/77/38/556777738.db2.gz AXZHPNBUYSXYTA-OAQYLSRUSA-N 0 0 428.460 4.114 50 0 IIAARN CN(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCCCCCC1 ZINC000058291419 556777841 /nfs/dbraw/zinc/77/78/41/556777841.db2.gz GHSGNZODESNVHQ-UHFFFAOYSA-N 0 0 427.636 4.177 50 0 IIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C2=O ZINC000058365617 556783142 /nfs/dbraw/zinc/78/31/42/556783142.db2.gz XOLAMQARNPYPFO-FOZYCNAUSA-N 0 0 431.964 4.044 50 0 IIAARN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(F)cc1F ZINC000058440553 556789001 /nfs/dbraw/zinc/78/90/01/556789001.db2.gz CYKKTNQYUORREP-UHFFFAOYSA-N 0 0 436.418 4.261 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)c(OC)c1 ZINC000059054662 556794599 /nfs/dbraw/zinc/79/45/99/556794599.db2.gz BNQJOCXYRGMUIX-INIZCTEOSA-N 0 0 425.407 4.409 50 0 IIAARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001518336 556797601 /nfs/dbraw/zinc/79/76/01/556797601.db2.gz DAAKDAYKSKEFML-UHFFFAOYSA-N 0 0 435.958 4.377 50 0 IIAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)Nc1nccs1 ZINC000002615890 556800102 /nfs/dbraw/zinc/80/01/02/556800102.db2.gz IIERGORKDHYVDD-UHFFFAOYSA-N 0 0 441.607 4.360 50 0 IIAARN COc1ccccc1N1CCN(C[C@H](C)N(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000059606980 556803136 /nfs/dbraw/zinc/80/31/36/556803136.db2.gz MDUDKPOIYPKKNF-NRFANRHFSA-N 0 0 436.600 4.214 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)CC1 ZINC000003217781 556805528 /nfs/dbraw/zinc/80/55/28/556805528.db2.gz NUNYPDYFNQCSGQ-UHFFFAOYSA-N 0 0 431.945 4.464 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CC[C@@H](C)C2 ZINC000003315628 556809738 /nfs/dbraw/zinc/80/97/38/556809738.db2.gz KJYTZQIZRAAQDC-MLCYQJTMSA-N 0 0 448.368 4.115 50 0 IIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c12 ZINC000061722023 556811174 /nfs/dbraw/zinc/81/11/74/556811174.db2.gz DKODOMZRMDPTJF-UHFFFAOYSA-N 0 0 426.948 4.177 50 0 IIAARN CCC(CC)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000003350784 556813574 /nfs/dbraw/zinc/81/35/74/556813574.db2.gz SLGUIIGPPMMTBL-UHFFFAOYSA-N 0 0 443.396 4.489 50 0 IIAARN Cc1ccccc1Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1 ZINC000022989687 556815056 /nfs/dbraw/zinc/81/50/56/556815056.db2.gz OCIXPWQSHCYCDZ-UHFFFAOYSA-N 0 0 439.610 4.027 50 0 IIAARN CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000072402558 556815937 /nfs/dbraw/zinc/81/59/37/556815937.db2.gz MHGDNEYBRQGEMU-NRFANRHFSA-N 0 0 435.553 4.474 50 0 IIAARN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccc1Cl ZINC000033062103 556817772 /nfs/dbraw/zinc/81/77/72/556817772.db2.gz VCGKYCBIFOYBDJ-UHFFFAOYSA-N 0 0 435.336 4.346 50 0 IIAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccccc3Cl)cc(=O)c2c1 ZINC000033063779 556818773 /nfs/dbraw/zinc/81/87/73/556818773.db2.gz IIIGUAFPHUNBIH-UHFFFAOYSA-N 0 0 430.913 4.230 50 0 IIAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033068251 556821838 /nfs/dbraw/zinc/82/18/38/556821838.db2.gz XYYKETWZDDGGRE-INIZCTEOSA-N 0 0 449.894 4.333 50 0 IIAARN O=C1c2cccc(N3CCN(Cc4ccc(F)cc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000064103336 556822657 /nfs/dbraw/zinc/82/26/57/556822657.db2.gz DBHRBWJAUKAGHM-UHFFFAOYSA-N 0 0 435.524 4.006 50 0 IIAARN Cc1ccc(-n2ccn3c(CCCC(=O)Nc4ccc(Cl)cc4)nnc3c2=O)cc1C ZINC000064591415 556825168 /nfs/dbraw/zinc/82/51/68/556825168.db2.gz SOXKGWYEZDNOKY-UHFFFAOYSA-N 0 0 435.915 4.112 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccc(C)cc3)ccc21 ZINC000064983977 556830022 /nfs/dbraw/zinc/83/00/22/556830022.db2.gz JUCGMNWSJULAOO-NRFANRHFSA-N 0 0 428.554 4.046 50 0 IIAARN COc1ccc2c(COC(=O)c3ccccc3SC[C@H]3CCCO3)cc(=O)oc2c1 ZINC000019606006 556831357 /nfs/dbraw/zinc/83/13/57/556831357.db2.gz CTCJYMNGFMCSFI-QGZVFWFLSA-N 0 0 426.490 4.430 50 0 IIAARN Cc1ccc(F)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000065003699 556831738 /nfs/dbraw/zinc/83/17/38/556831738.db2.gz WEJZWGNJMRPZFF-QGZVFWFLSA-N 0 0 438.524 4.204 50 0 IIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000065003655 556831770 /nfs/dbraw/zinc/83/17/70/556831770.db2.gz HQKOHAGDUPIHLB-GOSISDBHSA-N 0 0 434.561 4.319 50 0 IIAARN CC(C)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C[C@H]1CCCO1 ZINC000019639048 556836734 /nfs/dbraw/zinc/83/67/34/556836734.db2.gz OUBLBQXQWMFYRT-MRXNPFEDSA-N 0 0 443.598 4.435 50 0 IIAARN O=C1Nc2ccc([C@]3(Cc4ccccn4)C(=O)Nc4ccccc43)cc2/C1=C/c1ccccn1 ZINC000096602460 556838023 /nfs/dbraw/zinc/83/80/23/556838023.db2.gz FZBZNYQJUGHYJV-VRGXVADMSA-N 0 0 444.494 4.450 50 0 IIAARN O=C(c1ccn(COc2cccc(Cl)c2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019642857 556838078 /nfs/dbraw/zinc/83/80/78/556838078.db2.gz PMXIEVCLWNQYNZ-UHFFFAOYSA-N 0 0 445.350 4.184 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008703869 556842541 /nfs/dbraw/zinc/84/25/41/556842541.db2.gz WMTYCGSIIODKAT-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000008724062 556843506 /nfs/dbraw/zinc/84/35/06/556843506.db2.gz VRTGVZLAIFYAPI-UHFFFAOYSA-N 0 0 446.931 4.230 50 0 IIAARN COc1ccc(OC)c(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 ZINC000023012349 556848243 /nfs/dbraw/zinc/84/82/43/556848243.db2.gz KPAPIHHUBMYCCF-UHFFFAOYSA-N 0 0 430.460 4.391 50 0 IIAARN Cc1ccccc1NC(=O)[C@H](C)Sc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087842 556855524 /nfs/dbraw/zinc/85/55/24/556855524.db2.gz YOBOIRIUWBRVRZ-INIZCTEOSA-N 0 0 443.594 4.221 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 ZINC000033089216 556857796 /nfs/dbraw/zinc/85/77/96/556857796.db2.gz OKMFWOYWRXTBHL-NSHDSACASA-N 0 0 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ZINC000033126793 556867365 /nfs/dbraw/zinc/86/73/65/556867365.db2.gz ZPDZXILNDMIBSS-UHFFFAOYSA-N 0 0 444.531 4.419 50 0 IIAARN COc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCCC2)cc1OC ZINC000004672780 556868088 /nfs/dbraw/zinc/86/80/88/556868088.db2.gz GTJSLLNZZIFDIW-FJDUUPPCSA-N 0 0 428.573 4.327 50 0 IIAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2CCCO2)cc1 ZINC000004673082 556868097 /nfs/dbraw/zinc/86/80/97/556868097.db2.gz SDJGJWVJJIOCLC-UPVQGACJSA-N 0 0 428.573 4.089 50 0 IIAARN COc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129969 556869502 /nfs/dbraw/zinc/86/95/02/556869502.db2.gz HMFHLDFTUUGLQM-UHFFFAOYSA-N 0 0 436.533 4.399 50 0 IIAARN CCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000033138539 556872401 /nfs/dbraw/zinc/87/24/01/556872401.db2.gz AEYQJPHVQWMJFD-UHFFFAOYSA-N 0 0 441.578 4.482 50 0 IIAARN Clc1ccc(-c2n[nH]cc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000019722333 556876405 /nfs/dbraw/zinc/87/64/05/556876405.db2.gz 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557146573 /nfs/dbraw/zinc/14/65/73/557146573.db2.gz QJJOOZGGRXBWQT-SFHVURJKSA-N 0 0 426.929 4.234 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000024802392 557147095 /nfs/dbraw/zinc/14/70/95/557147095.db2.gz YIDSIWZZZPTKIA-UHFFFAOYSA-N 0 0 439.519 4.262 50 0 IIAARN COc1cc(OC)c(NC(=O)Cn2c3ccccc3nc(-c3ccccc3)c2=O)cc1Cl ZINC000585146867 557151189 /nfs/dbraw/zinc/15/11/89/557151189.db2.gz UHOIEUMRQKDXBF-UHFFFAOYSA-N 0 0 449.894 4.373 50 0 IIAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)CSc2nnc(NC3CCCCC3)s2)c1 ZINC000011467329 557151739 /nfs/dbraw/zinc/15/17/39/557151739.db2.gz WFFUXXFSVKMTND-AWEZNQCLSA-N 0 0 434.587 4.254 50 0 IIAARN CCOc1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607777 557153631 /nfs/dbraw/zinc/15/36/31/557153631.db2.gz JVBKTQSTDHLEDA-UHFFFAOYSA-N 0 0 426.469 4.039 50 0 IIAARN O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000014730208 557154773 /nfs/dbraw/zinc/15/47/73/557154773.db2.gz JRSXMKCEUUFAQK-UHFFFAOYSA-N 0 0 438.352 4.175 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CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2csc(CC)n2)[C@H]1c1ccc(OC)cc1 ZINC000069926801 557178103 /nfs/dbraw/zinc/17/81/03/557178103.db2.gz BDNYORBWTBLPRG-DENIHFKCSA-N 0 0 429.586 4.062 50 0 IIAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 ZINC000024929111 557180843 /nfs/dbraw/zinc/18/08/43/557180843.db2.gz IRYZUXSTVCPPDE-UHFFFAOYSA-N 0 0 441.944 4.335 50 0 IIAARN CCn1cc(C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c2ccccc21 ZINC000009095928 557181792 /nfs/dbraw/zinc/18/17/92/557181792.db2.gz ZPOXAJPSOHMIGZ-UHFFFAOYSA-N 0 0 447.564 4.003 50 0 IIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000010971011 557182391 /nfs/dbraw/zinc/18/23/91/557182391.db2.gz XLIOBYKZIFGUTF-IBGZPJMESA-N 0 0 441.531 4.041 50 0 IIAARN COc1ccc(CNC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 ZINC000024965170 557183155 /nfs/dbraw/zinc/18/31/55/557183155.db2.gz LNFZVEUKXKOYTM-UHFFFAOYSA-N 0 0 435.480 4.286 50 0 IIAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000024969447 557183403 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O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N(Cc1ccco1)Cc1cccnc1 ZINC000012526578 568742569 /nfs/dbraw/zinc/74/25/69/568742569.db2.gz BQNTUQBPVVGEQA-UHFFFAOYSA-N 0 0 436.471 4.216 50 0 IIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2C1 ZINC000003210181 568742953 /nfs/dbraw/zinc/74/29/53/568742953.db2.gz XOTZQSPXTALNGU-OAHLLOKOSA-N 0 0 441.578 4.345 50 0 IIAARN COc1ccc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000003217034 568743168 /nfs/dbraw/zinc/74/31/68/568743168.db2.gz UIKSIFSBRXFZAH-UHFFFAOYSA-N 0 0 426.472 4.384 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 ZINC000003239980 568743522 /nfs/dbraw/zinc/74/35/22/568743522.db2.gz UFSSEQVIJYIFQR-UHFFFAOYSA-N 0 0 429.549 4.089 50 0 IIAARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1 ZINC000003242546 568743560 /nfs/dbraw/zinc/74/35/60/568743560.db2.gz PTLCFARLTJZBQF-UHFFFAOYSA-N 0 0 441.487 4.102 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N1CCc2ccccc2C1 ZINC000003323980 568746046 /nfs/dbraw/zinc/74/60/46/568746046.db2.gz IZFINEPUKSQJKI-UHFFFAOYSA-N 0 0 428.282 4.245 50 0 IIAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1Cl ZINC000003352359 568746995 /nfs/dbraw/zinc/74/69/95/568746995.db2.gz PFTUFAHQZBLYSU-IBGZPJMESA-N 0 0 440.714 4.361 50 0 IIAARN CCOc1ccc(-c2csc3c2ncn(CC(=O)OC(C)(C)C)c3=O)cc1OCC ZINC000044167014 568749264 /nfs/dbraw/zinc/74/92/64/568749264.db2.gz IDJVUPVPRQWUDR-UHFFFAOYSA-N 0 0 430.526 4.264 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000003437381 568749434 /nfs/dbraw/zinc/74/94/34/568749434.db2.gz LOGKCLKCMDYPDV-UHFFFAOYSA-N 0 0 438.505 4.186 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003598380 568751283 /nfs/dbraw/zinc/75/12/83/568751283.db2.gz OQGUEISUWYXDIE-UHFFFAOYSA-N 0 0 437.359 4.266 50 0 IIAARN Cc1ccc(-c2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)NCCc4ccccn4)CC3)cc2)o1 ZINC000299761378 568755677 /nfs/dbraw/zinc/75/56/77/568755677.db2.gz VVQSUDMFVKSASI-HSZRJFAPSA-N 0 0 443.547 4.251 50 0 IIAARN COc1ccc(C2(C(=O)NCc3nnc(SC)n3-c3ccc(F)cc3)CCCC2)cc1 ZINC000299760538 568755728 /nfs/dbraw/zinc/75/57/28/568755728.db2.gz WAEIZGRAGILLQC-UHFFFAOYSA-N 0 0 440.544 4.265 50 0 IIAARN O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC000015319752 568758167 /nfs/dbraw/zinc/75/81/67/568758167.db2.gz KRTRCAXFVVIYKW-UHFFFAOYSA-N 0 0 444.915 4.478 50 0 IIAARN Cc1ccc(F)cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000015327314 568758324 /nfs/dbraw/zinc/75/83/24/568758324.db2.gz VVAABALXZDFAGC-UHFFFAOYSA-N 0 0 434.514 4.038 50 0 IIAARN CCCCS[C@H]1CCCC[C@H]1OC(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586684 568759522 /nfs/dbraw/zinc/75/95/22/568759522.db2.gz WXRHXRQJLTZHBC-PSBKLILYSA-N 0 0 432.630 4.045 50 0 biogenic IIAARN CCOc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390985 568761423 /nfs/dbraw/zinc/76/14/23/568761423.db2.gz OUWUHOVWYWSCIJ-SFHVURJKSA-N 0 0 436.961 4.311 50 0 IIAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000263615911 568776239 /nfs/dbraw/zinc/77/62/39/568776239.db2.gz FXDDMWCDMZEIJH-SFHVURJKSA-N 0 0 427.888 4.313 50 0 IIAARN Fc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(Br)cc3)C4)n2)cc1 ZINC000263616140 568776974 /nfs/dbraw/zinc/77/69/74/568776974.db2.gz HIHQZBQLOKSOOF-INIZCTEOSA-N 0 0 442.248 4.168 50 0 IIAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC)c(OC)c5)no4)cc3CO2)cc1 ZINC000263618552 568777727 /nfs/dbraw/zinc/77/77/27/568777727.db2.gz UHZSGENUKXYANJ-JOCHJYFZSA-N 0 0 448.479 4.288 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263618226 568778227 /nfs/dbraw/zinc/77/82/27/568778227.db2.gz RUXJSXUVWKDTJG-UHFFFAOYSA-N 0 0 446.894 4.320 50 0 IIAARN CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)C1=O ZINC000032100430 568780363 /nfs/dbraw/zinc/78/03/63/568780363.db2.gz NPYUVKCUPNZDKB-FQEVSTJZSA-N 0 0 428.370 4.025 50 0 IIAARN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000083859034 568783638 /nfs/dbraw/zinc/78/36/38/568783638.db2.gz KKXPYPPPWJFRCM-HXUWFJFHSA-N 0 0 439.606 4.440 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N1CCc2ccccc21 ZINC000001381470 568783845 /nfs/dbraw/zinc/78/38/45/568783845.db2.gz WWKHGJQRAPHLNV-UHFFFAOYSA-N 0 0 430.942 4.125 50 0 IIAARN CN(c1ccc(NC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1F)C1CCCCC1 ZINC000083869454 568784120 /nfs/dbraw/zinc/78/41/20/568784120.db2.gz RPFSEOJIPWWBPS-SFHVURJKSA-N 0 0 439.535 4.026 50 0 IIAARN COCCn1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)c2ccccc21 ZINC000083912180 568785361 /nfs/dbraw/zinc/78/53/61/568785361.db2.gz XURZCIMBIMAOTF-UHFFFAOYSA-N 0 0 431.286 4.074 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(-n3cncn3)c1)CC2 ZINC000083925359 568785843 /nfs/dbraw/zinc/78/58/43/568785843.db2.gz PDQBYHPKLAZSKL-HSZRJFAPSA-N 0 0 446.532 4.134 50 0 IIAARN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(Br)cc1 ZINC000001402310 568786616 /nfs/dbraw/zinc/78/66/16/568786616.db2.gz VVFZCDONPDYTID-UHFFFAOYSA-N 0 0 433.615 4.161 50 0 IIAARN Cc1nc(C)c([C@@H](C)NC(=O)Nc2cc(Br)ccc2N2CCOCC2)s1 ZINC000084062330 568790769 /nfs/dbraw/zinc/79/07/69/568790769.db2.gz XCNCMTDBOOZMIW-GFCCVEGCSA-N 0 0 439.379 4.242 50 0 IIAARN Cc1nc(C2(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CCCC2)no1 ZINC000084280670 568796799 /nfs/dbraw/zinc/79/67/99/568796799.db2.gz FUUZAXUTFRFXCN-UHFFFAOYSA-N 0 0 438.553 4.142 50 0 IIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000015669379 568801884 /nfs/dbraw/zinc/80/18/84/568801884.db2.gz POUYMDBRWPOONK-UHFFFAOYSA-N 0 0 437.565 4.148 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)cc3C)n2)cc1 ZINC000015670174 568802165 /nfs/dbraw/zinc/80/21/65/568802165.db2.gz ZJPGWKUGDHCDGL-HXUWFJFHSA-N 0 0 440.507 4.132 50 0 IIAARN CC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c(=O)oc21 ZINC000015678969 568805361 /nfs/dbraw/zinc/80/53/61/568805361.db2.gz GXFYYWNXKGTCFC-UHFFFAOYSA-N 0 0 448.431 4.462 50 0 IIAARN O=C(CN1c2ccccc2Oc2ncccc2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000015679966 568805883 /nfs/dbraw/zinc/80/58/83/568805883.db2.gz IOSGCXQRQPWEDU-UHFFFAOYSA-N 0 0 427.504 4.315 50 0 IIAARN Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000015680805 568806019 /nfs/dbraw/zinc/80/60/19/568806019.db2.gz GSKSQXIYEIVKSO-UHFFFAOYSA-N 0 0 432.545 4.240 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000015681494 568806740 /nfs/dbraw/zinc/80/67/40/568806740.db2.gz QLHFRUHLTFAEDK-UHFFFAOYSA-N 0 0 443.526 4.381 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728095 568812854 /nfs/dbraw/zinc/81/28/54/568812854.db2.gz PVVYWFGEMHFFIF-CQSZACIVSA-N 0 0 431.949 4.154 50 0 IIAARN CCCN(C(=O)c1c(C)oc2nc(C)nc(N3CCOCC3)c21)c1ccc(OCC)cc1 ZINC000015727859 568813028 /nfs/dbraw/zinc/81/30/28/568813028.db2.gz SCLLXGQDHTYFKW-UHFFFAOYSA-N 0 0 438.528 4.132 50 0 IIAARN CCCCc1nn2c(nc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)cc2=O)s1 ZINC000015731873 568815093 /nfs/dbraw/zinc/81/50/93/568815093.db2.gz CJYAJLAUHBBPAH-UHFFFAOYSA-N 0 0 432.962 4.224 50 0 IIAARN COc1c2c(cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4C3CCCCC3)c1OC)OCO2 ZINC000085411768 568818032 /nfs/dbraw/zinc/81/80/32/568818032.db2.gz UTCLVLRSIZTRNG-IBGZPJMESA-N 0 0 431.514 4.314 50 0 IIAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c2c1OCO2 ZINC000085411856 568818042 /nfs/dbraw/zinc/81/80/42/568818042.db2.gz IZQDMEVCDBMXBU-LJQANCHMSA-N 0 0 431.514 4.314 50 0 IIAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000085413469 568818599 /nfs/dbraw/zinc/81/85/99/568818599.db2.gz QZBOOYGSFWPGDR-FPOVZHCZSA-N 0 0 426.852 4.247 50 0 IIAARN COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000001465357 568820184 /nfs/dbraw/zinc/82/01/84/568820184.db2.gz PSCVBBLZCGIGJG-CQSZACIVSA-N 0 0 427.595 4.276 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 ZINC000001467227 568820440 /nfs/dbraw/zinc/82/04/40/568820440.db2.gz RYINACMFMBQGKB-QHCPKHFHSA-N 0 0 438.491 4.180 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000001473329 568822276 /nfs/dbraw/zinc/82/22/76/568822276.db2.gz ZFHDVKICTXCBGR-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2cccs2)cc1 ZINC000015780891 568825166 /nfs/dbraw/zinc/82/51/66/568825166.db2.gz BVIXZUXFEJLEBL-NRFANRHFSA-N 0 0 429.563 4.319 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)cc1 ZINC000015781214 568825781 /nfs/dbraw/zinc/82/57/81/568825781.db2.gz YWJDEGGIQGCSAU-IJBPVIJFSA-N 0 0 443.565 4.136 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O ZINC000015783374 568826305 /nfs/dbraw/zinc/82/63/05/568826305.db2.gz XMBBHIZHUGDUTN-QGZVFWFLSA-N 0 0 426.929 4.471 50 0 IIAARN COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5Cl)no4)ccc3c2=O)c1 ZINC000085601831 568827225 /nfs/dbraw/zinc/82/72/25/568827225.db2.gz ZKYCPKJFHYBXMT-UHFFFAOYSA-N 0 0 446.850 4.058 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4C)no3)o2)cc1OC ZINC000085643826 568829010 /nfs/dbraw/zinc/82/90/10/568829010.db2.gz QPGCSHJYSGEOMD-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000085650032 568831272 /nfs/dbraw/zinc/83/12/72/568831272.db2.gz NFZLRXTWBSEFJW-UHFFFAOYSA-N 0 0 433.961 4.111 50 0 IIAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)o2)OC1=O ZINC000001508743 568835513 /nfs/dbraw/zinc/83/55/13/568835513.db2.gz YKMQLRKQZCASJQ-YFHOEESVSA-N 0 0 427.048 4.158 50 0 IIAARN O=C(OCc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100346931 568837129 /nfs/dbraw/zinc/83/71/29/568837129.db2.gz GWDLNWLYRGHGEZ-OALUTQOASA-N 0 0 440.293 4.262 50 0 IIAARN COc1ccc(CN2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)cc1C ZINC000104482678 568837487 /nfs/dbraw/zinc/83/74/87/568837487.db2.gz NNBJHHGSYVJZOE-JOCHJYFZSA-N 0 0 437.609 4.196 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C[C@H](O)COC(C)C)C2)cc1 ZINC000104982787 568839193 /nfs/dbraw/zinc/83/91/93/568839193.db2.gz SWPUKSPWBIQSAW-RBBKRZOGSA-N 0 0 446.975 4.130 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000015823147 568839973 /nfs/dbraw/zinc/83/99/73/568839973.db2.gz RMJGFJFZUHSJLD-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000001517840 568840630 /nfs/dbraw/zinc/84/06/30/568840630.db2.gz SUUBFIUSQOYMDU-YVLHZVERSA-N 0 0 444.281 4.426 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000001518660 568841373 /nfs/dbraw/zinc/84/13/73/568841373.db2.gz XJJPZGAJFBWTTH-UHFFFAOYSA-N 0 0 436.514 4.183 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000006144619 568846036 /nfs/dbraw/zinc/84/60/36/568846036.db2.gz OYAYTABGNJMOJJ-VAMGGRTRSA-N 0 0 439.393 4.152 50 0 IIAARN CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000006144217 568846055 /nfs/dbraw/zinc/84/60/55/568846055.db2.gz WKKHQTFMPCWURQ-UHFFFAOYSA-N 0 0 438.329 4.448 50 0 IIAARN CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864377 568849564 /nfs/dbraw/zinc/84/95/64/568849564.db2.gz NBVZWJUEYCWHMM-UHFFFAOYSA-N 0 0 443.547 4.316 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000015865586 568850479 /nfs/dbraw/zinc/85/04/79/568850479.db2.gz CFTLTDZZFIKWHQ-NRFANRHFSA-N 0 0 426.925 4.094 50 0 IIAARN Cc1c(CCNC(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882117 568856462 /nfs/dbraw/zinc/85/64/62/568856462.db2.gz LCNXHKRCZJWXMY-UHFFFAOYSA-N 0 0 440.912 4.121 50 0 IIAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000015882680 568857223 /nfs/dbraw/zinc/85/72/23/568857223.db2.gz SPSXQRVQXNAZSI-UHFFFAOYSA-N 0 0 429.527 4.230 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000015882663 568857227 /nfs/dbraw/zinc/85/72/27/568857227.db2.gz DPZOBVBJRGBJOZ-UHFFFAOYSA-N 0 0 433.490 4.061 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(Cl)cc2)cc1 ZINC000015883903 568858099 /nfs/dbraw/zinc/85/80/99/568858099.db2.gz KYRHZPCKRYCHQM-UHFFFAOYSA-N 0 0 444.940 4.450 50 0 IIAARN Cc1nnc2nc(SCC(=O)Nc3ccccc3Cl)n(-c3ccccc3C)c(N)c1-2 ZINC000015899942 568858500 /nfs/dbraw/zinc/85/85/00/568858500.db2.gz BIWINLNYAIASLC-UHFFFAOYSA-N 0 0 438.944 4.229 50 0 IIAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)c3ccccc3F)cc2=O)s1 ZINC000015935170 568858883 /nfs/dbraw/zinc/85/88/83/568858883.db2.gz WGSLXCZHUQNLHY-UHFFFAOYSA-N 0 0 426.498 4.143 50 0 IIAARN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414587 568862465 /nfs/dbraw/zinc/86/24/65/568862465.db2.gz BWHBKVOKQUGVQX-KRWDZBQOSA-N 0 0 431.863 4.361 50 0 IIAARN COC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)Cc1cccs1 ZINC000012939028 568867833 /nfs/dbraw/zinc/86/78/33/568867833.db2.gz RNBXJKFTOACSSF-HNNXBMFYSA-N 0 0 435.592 4.418 50 0 IIAARN COc1ccc(CCNC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1OC ZINC000575442944 568867849 /nfs/dbraw/zinc/86/78/49/568867849.db2.gz CQKHNGUBNQTDTL-JOCHJYFZSA-N 0 0 444.535 4.406 50 0 IIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)ccc12 ZINC000016042719 568868385 /nfs/dbraw/zinc/86/83/85/568868385.db2.gz PTECCRZQBLKOLA-QGZVFWFLSA-N 0 0 435.542 4.297 50 0 IIAARN COc1ccc(N2C[C@@H](NC(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000016047644 568869248 /nfs/dbraw/zinc/86/92/48/568869248.db2.gz IJTIPDIMEOTSRB-QFIPXVFZSA-N 0 0 443.547 4.322 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950162 568871991 /nfs/dbraw/zinc/87/19/91/568871991.db2.gz YOQLOYQURBIBES-IBGZPJMESA-N 0 0 430.552 4.017 50 0 IIAARN COc1cc(C=NNc2cn[nH]c(=O)c2Br)ccc1OCc1ccccc1F ZINC000016214943 568873216 /nfs/dbraw/zinc/87/32/16/568873216.db2.gz RDNSXWIOTNIQND-UHFFFAOYSA-N 0 0 447.264 4.117 50 0 IIAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575617029 568881657 /nfs/dbraw/zinc/88/16/57/568881657.db2.gz MNQTVPGNSXOSPF-HXUWFJFHSA-N 0 0 437.499 4.105 50 0 IIAARN CN(C)[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575618721 568882285 /nfs/dbraw/zinc/88/22/85/568882285.db2.gz BHZXUOWRBVKLDY-QGZVFWFLSA-N 0 0 426.460 4.174 50 0 IIAARN CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000006725159 568888443 /nfs/dbraw/zinc/88/84/43/568888443.db2.gz BKQOMLNHFFIYML-YADHBBJMSA-N 0 0 428.504 4.012 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1cccc(-c2nc(-c3cnccn3)no2)c1=O ZINC000090592164 568888725 /nfs/dbraw/zinc/88/87/25/568888725.db2.gz SMWNVXHGWFGIJI-HXUWFJFHSA-N 0 0 444.495 4.069 50 0 IIAARN Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(Br)c1 ZINC000012976044 568890168 /nfs/dbraw/zinc/89/01/68/568890168.db2.gz JEDALVUJVTXWGI-UHFFFAOYSA-N 0 0 430.346 4.047 50 0 IIAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(OC)cc3OC)C2=O)c1 ZINC000102997344 568891235 /nfs/dbraw/zinc/89/12/35/568891235.db2.gz FEVJXAUDHYTMSL-QNGOZBTKSA-N 0 0 430.460 4.352 50 0 IIAARN COc1cccc2cc(C(=O)N3CCO[C@H](c4cc(Cl)cc(Cl)c4)C3)c(=O)oc21 ZINC000090613827 568892498 /nfs/dbraw/zinc/89/24/98/568892498.db2.gz KWWNOXMKFQJCMV-SFHVURJKSA-N 0 0 434.275 4.322 50 0 IIAARN CCC(=O)N(c1nnc(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)s1)C1CC1 ZINC000012983384 568895296 /nfs/dbraw/zinc/89/52/96/568895296.db2.gz AFCUXMDKZPQHHZ-NSHDSACASA-N 0 0 431.543 4.355 50 0 IIAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000012983522 568895523 /nfs/dbraw/zinc/89/55/23/568895523.db2.gz AZAOZLPCXUKAOQ-WGDIFIGCSA-N 0 0 445.494 4.137 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000036391338 568896403 /nfs/dbraw/zinc/89/64/03/568896403.db2.gz JWNUOYOLFVORHA-LFYBBSHMSA-N 0 0 449.576 4.185 50 0 IIAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000013008753 568899767 /nfs/dbraw/zinc/89/97/67/568899767.db2.gz KHEZFESSWOUWBD-UHFFFAOYSA-N 0 0 432.911 4.489 50 0 IIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Br)s3)cs1)CS2 ZINC000013020507 568902314 /nfs/dbraw/zinc/90/23/14/568902314.db2.gz CUDVVTPNDZGBLV-BJOHPYRUSA-N 0 0 444.401 4.027 50 0 IIAARN COc1ccc(OCCn2c(CCNC(=O)c3cccc(C)c3)nc3ccccc32)cc1 ZINC000006442119 568907094 /nfs/dbraw/zinc/90/70/94/568907094.db2.gz NVFLHUKQYFKXEQ-UHFFFAOYSA-N 0 0 429.520 4.405 50 0 IIAARN COc1ccccc1OCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000006442122 568907100 /nfs/dbraw/zinc/90/71/00/568907100.db2.gz OACYWMPBKGDQTI-UHFFFAOYSA-N 0 0 429.520 4.405 50 0 IIAARN CC(C)[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000390832734 568909424 /nfs/dbraw/zinc/90/94/24/568909424.db2.gz SOXFWCHWFGPACR-XZOQPEGZSA-N 0 0 430.504 4.364 50 0 IIAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000239046351 568910540 /nfs/dbraw/zinc/91/05/40/568910540.db2.gz FOSNTVDHSDNFAX-BHIFYINESA-N 0 0 434.879 4.400 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000242242298 568912615 /nfs/dbraw/zinc/91/26/15/568912615.db2.gz XTQTULDZLOPODU-LMMKCTJWSA-N 0 0 446.613 4.228 50 0 IIAARN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2 ZINC000245254608 568913391 /nfs/dbraw/zinc/91/33/91/568913391.db2.gz AZRSUKPQWZSIBP-XHOYROJHSA-N 0 0 432.630 4.199 50 0 IIAARN C[C@@H]1CCC[C@H](N2C(=O)N[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C2=O)[C@H]1C ZINC000245254805 568913608 /nfs/dbraw/zinc/91/36/08/568913608.db2.gz CDTOJBWUWRECHM-URYASSDKSA-N 0 0 431.499 4.303 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256765 568913933 /nfs/dbraw/zinc/91/39/33/568913933.db2.gz SHYRXROEJRPOQG-BVBHFADKSA-N 0 0 440.952 4.268 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256509 568914002 /nfs/dbraw/zinc/91/40/02/568914002.db2.gz QFBQOHYYDQZFSX-NHWIGJJZSA-N 0 0 434.561 4.313 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000016513824 568920444 /nfs/dbraw/zinc/92/04/44/568920444.db2.gz FUMUADVILIBMKL-UHFFFAOYSA-N 0 0 429.564 4.388 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000001934491 568923516 /nfs/dbraw/zinc/92/35/16/568923516.db2.gz JQUOMFAEDMXLJF-SNAWJCMRSA-N 0 0 440.279 4.214 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1 ZINC000000935793 568924608 /nfs/dbraw/zinc/92/46/08/568924608.db2.gz DQMZKHYTCGJSMC-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2)C(C(=O)OC)=C1C ZINC000016609934 568925610 /nfs/dbraw/zinc/92/56/10/568925610.db2.gz ABMGCTMZBGNOHT-KCZVDYSFSA-N 0 0 449.576 4.127 50 0 IIAARN CC(N=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000252618396 568926279 /nfs/dbraw/zinc/92/62/79/568926279.db2.gz LFTYCGMPMHKLPF-UHFFFAOYSA-N 0 0 432.488 4.350 50 0 IIAARN CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(F)cc1)C3 ZINC000054278194 568930946 /nfs/dbraw/zinc/93/09/46/568930946.db2.gz UJPAAHSWJDZIJO-UHFFFAOYSA-N 0 0 439.483 4.397 50 0 IIAARN COc1cccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000064557996 568931827 /nfs/dbraw/zinc/93/18/27/568931827.db2.gz SCBMJOLFVHNBDK-OAQYLSRUSA-N 0 0 435.501 4.022 50 0 IIAARN COc1ccc(C)cc1NC(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1 ZINC000064565881 568932600 /nfs/dbraw/zinc/93/26/00/568932600.db2.gz BQTXZWGXUJZIEH-UHFFFAOYSA-N 0 0 434.540 4.353 50 0 IIAARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000037341976 568936163 /nfs/dbraw/zinc/93/61/63/568936163.db2.gz HVARHDAWKQCAGC-BANJIEJESA-N 0 0 445.462 4.003 50 0 IIAARN Cc1cc(C)c(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1C ZINC000064593884 568936273 /nfs/dbraw/zinc/93/62/73/568936273.db2.gz QRBBRVUIOJPUBR-UHFFFAOYSA-N 0 0 440.475 4.059 50 0 IIAARN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1Cl ZINC000089534612 568936747 /nfs/dbraw/zinc/93/67/47/568936747.db2.gz PTRAPMFBHXVHIY-UHFFFAOYSA-N 0 0 427.313 4.219 50 0 IIAARN Cc1c(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)nnn1-c1ccc2ncccc2c1 ZINC000089556323 568937441 /nfs/dbraw/zinc/93/74/41/568937441.db2.gz RUVYGZAGPKIGDW-UHFFFAOYSA-N 0 0 441.539 4.057 50 0 IIAARN Cc1nc([C@@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)oc1-c1ccc(Cl)cc1 ZINC000089557962 568937458 /nfs/dbraw/zinc/93/74/58/568937458.db2.gz CGXYCGJEHOFMGA-OAHLLOKOSA-N 0 0 427.936 4.443 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604946 568939076 /nfs/dbraw/zinc/93/90/76/568939076.db2.gz JAZULSPLFKTJPG-OAQYLSRUSA-N 0 0 438.915 4.420 50 0 IIAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000064604998 568939093 /nfs/dbraw/zinc/93/90/93/568939093.db2.gz DPSCWCBENWFERA-CQSZACIVSA-N 0 0 438.915 4.284 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)cc2)cc(NC(C)=O)c1=O ZINC000064605043 568939104 /nfs/dbraw/zinc/93/91/04/568939104.db2.gz RXTUYRNEFAYNRG-UHFFFAOYSA-N 0 0 438.915 4.032 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2F)cc1 ZINC000064656901 568942376 /nfs/dbraw/zinc/94/23/76/568942376.db2.gz XTBABJSQFTZZSE-AWEZNQCLSA-N 0 0 435.473 4.342 50 0 IIAARN COc1cccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)c1 ZINC000064664258 568943707 /nfs/dbraw/zinc/94/37/07/568943707.db2.gz XADDDGIDKMYNAN-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN CCCCn1c(SCC(=O)NCc2ccccc2)nc2c3cccnc3sc2c1=O ZINC000064699670 568944293 /nfs/dbraw/zinc/94/42/93/568944293.db2.gz RMZLAMSMHZWJLG-UHFFFAOYSA-N 0 0 438.578 4.215 50 0 IIAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068544 568945344 /nfs/dbraw/zinc/94/53/44/568945344.db2.gz ZLDKLSQQGUKCSV-UHFFFAOYSA-N 0 0 448.473 4.480 50 0 IIAARN CC[C@@H](C)NC(=O)c1cccc(Nc2c(Oc3ccc(C)cc3OC)cnn(C)c2=O)c1 ZINC000036073187 568945646 /nfs/dbraw/zinc/94/56/46/568945646.db2.gz UBIDLLOWRMDANZ-MRXNPFEDSA-N 0 0 436.512 4.162 50 0 IIAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cc(OC)ccc2OC)n1 ZINC000036073658 568946586 /nfs/dbraw/zinc/94/65/86/568946586.db2.gz XUWTWUWPCKOOQR-GOSISDBHSA-N 0 0 437.540 4.423 50 0 IIAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cc(OC)ccc1OC ZINC000036082604 568946789 /nfs/dbraw/zinc/94/67/89/568946789.db2.gz UCMUFHZTQNYCJC-INIZCTEOSA-N 0 0 427.501 4.016 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036083486 568947242 /nfs/dbraw/zinc/94/72/42/568947242.db2.gz VNWJCMQWCQQESH-OAQYLSRUSA-N 0 0 442.899 4.135 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083890 568947596 /nfs/dbraw/zinc/94/75/96/568947596.db2.gz WYRDIJXXNDNFRJ-HSZRJFAPSA-N 0 0 438.524 4.294 50 0 IIAARN O=C(NCc1ccccc1C(F)(F)F)c1nnn(Cc2ccccc2)c1-n1cccc1 ZINC000064744100 568948760 /nfs/dbraw/zinc/94/87/60/568948760.db2.gz NKAHNCVJVAXETG-UHFFFAOYSA-N 0 0 425.414 4.066 50 0 IIAARN O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)c1 ZINC000064754666 568950990 /nfs/dbraw/zinc/95/09/90/568950990.db2.gz ASECGFMDNZZJMX-IBGZPJMESA-N 0 0 447.922 4.262 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)N(C)Cc4ccccc4)CC3=O)c2)c1 ZINC000064754784 568951045 /nfs/dbraw/zinc/95/10/45/568951045.db2.gz JUXHKBNOOKOZCL-QFIPXVFZSA-N 0 0 441.531 4.259 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)N[C@@H](C)c4ccccc4)CC3=O)c2)cc1 ZINC000064754709 568951053 /nfs/dbraw/zinc/95/10/53/568951053.db2.gz SLQXCNADUMCQTC-SIKLNZKXSA-N 0 0 441.531 4.478 50 0 IIAARN CCN1c2ccc(CNC(=O)c3ccc(NC(C)=O)cc3)cc2Sc2ncccc2C1=O ZINC000064759582 568952088 /nfs/dbraw/zinc/95/20/88/568952088.db2.gz PAJMOXHMDSXHJO-UHFFFAOYSA-N 0 0 446.532 4.101 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)[C@H](C)CC ZINC000036117763 568955958 /nfs/dbraw/zinc/95/59/58/568955958.db2.gz GJPBZRTYGVQXRO-MJGOQNOKSA-N 0 0 444.597 4.299 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787685 568956244 /nfs/dbraw/zinc/95/62/44/568956244.db2.gz XFXHQZYDPDPDRN-QHCPKHFHSA-N 0 0 447.510 4.008 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C2CC2)cc1 ZINC000036119783 568956768 /nfs/dbraw/zinc/95/67/68/568956768.db2.gz XFNVPLISBIIGKP-QFIPXVFZSA-N 0 0 440.609 4.456 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C(C)C)cc1 ZINC000036120180 568957128 /nfs/dbraw/zinc/95/71/28/568957128.db2.gz NBPRMUNKKXPWOF-QFIPXVFZSA-N 0 0 440.609 4.456 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C(C)C)cc1 ZINC000036119875 568957181 /nfs/dbraw/zinc/95/71/81/568957181.db2.gz JZWFRMZZZWKPSR-OAQYLSRUSA-N 0 0 426.582 4.208 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)NCC ZINC000036122547 568958182 /nfs/dbraw/zinc/95/81/82/568958182.db2.gz DWSDXQPVLWOPPQ-HXUWFJFHSA-N 0 0 443.613 4.311 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)NC(C)C)C2CC2)cc1 ZINC000036122838 568958305 /nfs/dbraw/zinc/95/83/05/568958305.db2.gz HQCACGVMEJRKBC-OAQYLSRUSA-N 0 0 441.597 4.144 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036123286 568958509 /nfs/dbraw/zinc/95/85/09/568958509.db2.gz ZLCOCAIVEGCBEH-FQEVSTJZSA-N 0 0 447.576 4.224 50 0 IIAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)cc1 ZINC000064791607 568958968 /nfs/dbraw/zinc/95/89/68/568958968.db2.gz FBFGXOPHGUKVOU-UHFFFAOYSA-N 0 0 449.518 4.477 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)N3CCCC[C@@H]3C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791571 568959056 /nfs/dbraw/zinc/95/90/56/568959056.db2.gz BTAAVSWXMNAMHL-KRWDZBQOSA-N 0 0 427.512 4.253 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccccc3Cl)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000064791809 568959134 /nfs/dbraw/zinc/95/91/34/568959134.db2.gz YXIKOEKIHZGFIZ-UHFFFAOYSA-N 0 0 442.306 4.188 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2ccccc2C)cc1 ZINC000064792778 568959319 /nfs/dbraw/zinc/95/93/19/568959319.db2.gz ADHPYQJWLBHJKB-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2ccccc2C)cc1 ZINC000064792775 568959327 /nfs/dbraw/zinc/95/93/27/568959327.db2.gz ADHPYQJWLBHJKB-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)cc1C ZINC000064792497 568959351 /nfs/dbraw/zinc/95/93/51/568959351.db2.gz RMJKBNBTIUGAOK-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN Cc1cccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)c1C ZINC000064792510 568959434 /nfs/dbraw/zinc/95/94/34/568959434.db2.gz QLAVGEWAVRPFRK-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(F)c3)c3nnnn32)cc1 ZINC000064793193 568959599 /nfs/dbraw/zinc/95/95/99/568959599.db2.gz URZHQSYILXNQLM-QHCPKHFHSA-N 0 0 440.482 4.210 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064798129 568960406 /nfs/dbraw/zinc/96/04/06/568960406.db2.gz AMMKUVJVLSPXEQ-MRXNPFEDSA-N 0 0 429.519 4.072 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064798990 568960559 /nfs/dbraw/zinc/96/05/59/568960559.db2.gz PFRAJRJKFBPVPO-QGZVFWFLSA-N 0 0 429.519 4.072 50 0 IIAARN O[C@H](COc1ccccc1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147064 568962503 /nfs/dbraw/zinc/96/25/03/568962503.db2.gz FEPWIGORRUUXNZ-ZCYQVOJMSA-N 0 0 434.511 4.261 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccccc3F)nn2c(=O)c1C ZINC000064813923 568963850 /nfs/dbraw/zinc/96/38/50/568963850.db2.gz PZFFJZQCIGLYAN-UHFFFAOYSA-N 0 0 433.487 4.144 50 0 IIAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4ccccc4)cc3nc2N2CCCC2)c1 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430.892 4.325 50 0 IIAARN CN(CCc1noc(COc2ccc(F)cc2)n1)C(=O)Nc1cccc(Br)c1 ZINC000064840529 568969941 /nfs/dbraw/zinc/96/99/41/568969941.db2.gz ZMZWOGFBCFJPOV-UHFFFAOYSA-N 0 0 449.280 4.257 50 0 IIAARN CCOc1ccc(CNc2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)cc1OC ZINC000064838071 568970108 /nfs/dbraw/zinc/97/01/08/568970108.db2.gz TWOVUIZDDXCEKD-UHFFFAOYSA-N 0 0 433.468 4.222 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000064841522 568970230 /nfs/dbraw/zinc/97/02/30/568970230.db2.gz YAAVISZGIIVXIQ-UHFFFAOYSA-N 0 0 449.960 4.289 50 0 IIAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000064841641 568970423 /nfs/dbraw/zinc/97/04/23/568970423.db2.gz SPJODMMGGSIVNT-UHFFFAOYSA-N 0 0 430.288 4.046 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064841676 568970476 /nfs/dbraw/zinc/97/04/76/568970476.db2.gz BBQSSYSOCLCZEU-UHFFFAOYSA-N 0 0 426.325 4.215 50 0 IIAARN O=C(CC1CCN(C(=O)Nc2ccc(Br)cc2F)CC1)N1CCCCC1 ZINC000064847512 568971240 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IIAARN CCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)c(OC)c4)sc3C2)cc1 ZINC000064868399 568975485 /nfs/dbraw/zinc/97/54/85/568975485.db2.gz ZKHBXNKLZZBLLK-UHFFFAOYSA-N 0 0 444.578 4.137 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc3c(c2)OCO3)=Nc2ccccc2N1 ZINC000064869719 568976319 /nfs/dbraw/zinc/97/63/19/568976319.db2.gz MWSVPNYMXWYDJK-UHFFFAOYSA-N 0 0 439.493 4.080 50 0 IIAARN COC(=O)CC1=CC(S[C@H](C)C(=O)NCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869660 568976321 /nfs/dbraw/zinc/97/63/21/568976321.db2.gz GANQYIBALRKLRE-OAHLLOKOSA-N 0 0 439.537 4.036 50 0 IIAARN CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCC(C)C)c1 ZINC000036219116 568977566 /nfs/dbraw/zinc/97/75/66/568977566.db2.gz VYGLEATZUUSWMG-GOTSBHOMSA-N 0 0 437.540 4.178 50 0 IIAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4C)cc3)n2)c1 ZINC000064873258 568978294 /nfs/dbraw/zinc/97/82/94/568978294.db2.gz XIKZAEHTEXNALV-UHFFFAOYSA-N 0 0 439.515 4.358 50 0 IIAARN O=C(NCc1cccc(F)c1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873490 568978478 /nfs/dbraw/zinc/97/84/78/568978478.db2.gz QKQQAEKBTGTRTK-UHFFFAOYSA-N 0 0 447.441 4.020 50 0 IIAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)no1 ZINC000064889474 568980972 /nfs/dbraw/zinc/98/09/72/568980972.db2.gz HGUYOCCQWINZFF-UHFFFAOYSA-N 0 0 430.430 4.280 50 0 IIAARN CC(C)Cn1c2ccc(-c3noc(-c4ccccc4C(F)(F)F)n3)cc2[nH]c(=O)c1=O ZINC000064890972 568980974 /nfs/dbraw/zinc/98/09/74/568980974.db2.gz CIMBZUMPPYOSIF-UHFFFAOYSA-N 0 0 430.386 4.082 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)[nH]c(=O)n5C(C)C)no3)CC2=O)cc1C ZINC000064891108 568981124 /nfs/dbraw/zinc/98/11/24/568981124.db2.gz OWHXQMNNOJHUHW-QGZVFWFLSA-N 0 0 431.496 4.098 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(Cl)c1)C(=O)NC(C)C ZINC000006771754 568982457 /nfs/dbraw/zinc/98/24/57/568982457.db2.gz KOSWMYJAOMCQAB-JOCHJYFZSA-N 0 0 430.980 4.149 50 0 IIAARN CC(C)CC(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249161 568983064 /nfs/dbraw/zinc/98/30/64/568983064.db2.gz VUSBERALWQGSDD-UHFFFAOYSA-N 0 0 441.503 4.485 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000064924766 568986174 /nfs/dbraw/zinc/98/61/74/568986174.db2.gz NKMLLZGPBDSYEO-GOSISDBHSA-N 0 0 432.572 4.079 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc1Cl ZINC000064927601 568986638 /nfs/dbraw/zinc/98/66/38/568986638.db2.gz GBRVYMPWVMSEIF-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN COc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)c3ncccc32)cc(OC)c1OC ZINC000064929706 568988311 /nfs/dbraw/zinc/98/83/11/568988311.db2.gz IVGRLWZUWOSYIU-UHFFFAOYSA-N 0 0 433.508 4.083 50 0 IIAARN O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064930322 568988702 /nfs/dbraw/zinc/98/87/02/568988702.db2.gz HMBPEBZZPBFWJU-QGZVFWFLSA-N 0 0 446.454 4.114 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930557 568989094 /nfs/dbraw/zinc/98/90/94/568989094.db2.gz OYCXKCNXAYWLJR-GOSISDBHSA-N 0 0 437.525 4.476 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000064930836 568989218 /nfs/dbraw/zinc/98/92/18/568989218.db2.gz PRNDFHGGIAWHFO-INIZCTEOSA-N 0 0 435.500 4.248 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000169679756 568991098 /nfs/dbraw/zinc/99/10/98/568991098.db2.gz OYAYTABGNJMOJJ-SLFFLAALSA-N 0 0 439.393 4.152 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000169681268 568992955 /nfs/dbraw/zinc/99/29/55/568992955.db2.gz GJCWDRJEBSRPIL-UHFFFAOYSA-N 0 0 434.496 4.065 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(C)ccc(NC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000169681257 568992978 /nfs/dbraw/zinc/99/29/78/568992978.db2.gz UUVVOLOLRQAEAI-UHFFFAOYSA-N 0 0 434.496 4.147 50 0 IIAARN COc1ccccc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944233 568993241 /nfs/dbraw/zinc/99/32/41/568993241.db2.gz XYGYAHNPPATWLP-UHFFFAOYSA-N 0 0 429.571 4.206 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c1 ZINC000064944132 568993319 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ZINC000065099315 569105046 /nfs/dbraw/zinc/10/50/46/569105046.db2.gz IENXZTUTCMSWGM-UHFFFAOYSA-N 0 0 446.580 4.082 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099468 569105167 /nfs/dbraw/zinc/10/51/67/569105167.db2.gz SSPMBYLHCIZGAB-UHFFFAOYSA-N 0 0 432.553 4.405 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099765 569105290 /nfs/dbraw/zinc/10/52/90/569105290.db2.gz KFQFPBMEDUQBRB-UHFFFAOYSA-N 0 0 434.525 4.363 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000065102450 569106164 /nfs/dbraw/zinc/10/61/64/569106164.db2.gz IIEQJMQECKKSCP-UHFFFAOYSA-N 0 0 448.592 4.478 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(Cl)nc4)CC3)n2)c1 ZINC000065111459 569106419 /nfs/dbraw/zinc/10/64/19/569106419.db2.gz MJTRZKXFFHMIPY-UHFFFAOYSA-N 0 0 439.903 4.153 50 0 IIAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000065112112 569107903 /nfs/dbraw/zinc/10/79/03/569107903.db2.gz KTPYYEJSFLHGMV-UHFFFAOYSA-N 0 0 441.528 4.323 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1Cl ZINC000065112014 569107933 /nfs/dbraw/zinc/10/79/33/569107933.db2.gz MHPNUOMSPHPNJK-UHFFFAOYSA-N 0 0 447.944 4.275 50 0 IIAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4C)CC3)no2)c1 ZINC000065112210 569108046 /nfs/dbraw/zinc/10/80/46/569108046.db2.gz ASAFCFLPGYAOLG-UHFFFAOYSA-N 0 0 447.944 4.275 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1Cl ZINC000065112128 569108099 /nfs/dbraw/zinc/10/80/99/569108099.db2.gz QUGQWEWYPNNFCO-UHFFFAOYSA-N 0 0 435.908 4.406 50 0 IIAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000169793892 569108349 /nfs/dbraw/zinc/10/83/49/569108349.db2.gz LMTLHHAPBWMCRS-SFHLNBCPSA-N 0 0 425.492 4.014 50 0 IIAARN Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccco4)CC3)n2)cc1 ZINC000065130845 569109322 /nfs/dbraw/zinc/10/93/22/569109322.db2.gz ITNCRXSGRGNIDF-UHFFFAOYSA-N 0 0 443.507 4.233 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@@H](c3noc(-c4ccccc4OC)n3)C2)cc1Cl ZINC000065149525 569110943 /nfs/dbraw/zinc/11/09/43/569110943.db2.gz KGUUSVDEVYLFDK-MRXNPFEDSA-N 0 0 441.915 4.356 50 0 IIAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCCc1ccc(Cl)cc1 ZINC000065150000 569110976 /nfs/dbraw/zinc/11/09/76/569110976.db2.gz XJLVUKZXLHMFJF-UHFFFAOYSA-N 0 0 428.945 4.426 50 0 IIAARN CC(C)c1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)cc1 ZINC000065150693 569111181 /nfs/dbraw/zinc/11/11/81/569111181.db2.gz IYRGUGOUYKSAQH-UHFFFAOYSA-N 0 0 437.887 4.099 50 0 IIAARN COc1ccc(-c2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)c(-c3ccncc3)n2)cc1 ZINC000065153924 569112238 /nfs/dbraw/zinc/11/22/38/569112238.db2.gz ACRARXDQCLUGKR-UHFFFAOYSA-N 0 0 439.475 4.425 50 0 IIAARN CSc1cccc(NC(=O)CN2c3ccccc3[C@@](O)(c3cccc(Cl)c3)C2=O)c1 ZINC000065155474 569112431 /nfs/dbraw/zinc/11/24/31/569112431.db2.gz ZPIYYMLUOSUNPK-QHCPKHFHSA-N 0 0 438.936 4.283 50 0 IIAARN Cc1ccc(CC(=O)N2CCC(COc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000065179719 569113501 /nfs/dbraw/zinc/11/35/01/569113501.db2.gz JCEMDYMIDNIBDE-UHFFFAOYSA-N 0 0 434.580 4.481 50 0 IIAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(Br)o3)C2)cc1 ZINC000065179523 569113534 /nfs/dbraw/zinc/11/35/34/569113534.db2.gz JHUMIDHRFUPHLE-HNNXBMFYSA-N 0 0 449.345 4.112 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3cc(F)cc(F)c3)cccn12 ZINC000065185310 569114254 /nfs/dbraw/zinc/11/42/54/569114254.db2.gz AEVJHVHXAUJFDI-UHFFFAOYSA-N 0 0 442.491 4.328 50 0 IIAARN Cc1nn2c(CNS(=O)(=O)Cc3ccc(C)c(C)c3)c(-c3ccccc3)nc2s1 ZINC000065217367 569117045 /nfs/dbraw/zinc/11/70/45/569117045.db2.gz KLGKFPMFTCTBQC-UHFFFAOYSA-N 0 0 426.567 4.003 50 0 IIAARN O=C(CNC(=O)c1ccccc1)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000065219402 569117164 /nfs/dbraw/zinc/11/71/64/569117164.db2.gz DHVHZXUZOKTAMB-UHFFFAOYSA-N 0 0 440.431 4.112 50 0 IIAARN O=C(NCc1ccccc1Br)C1CCN(c2nnc(-c3ccccc3)o2)CC1 ZINC000065229482 569118134 /nfs/dbraw/zinc/11/81/34/569118134.db2.gz URTJUIGWTGMSAY-UHFFFAOYSA-N 0 0 441.329 4.032 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cnc4nc(C)c(C)nc4c3)CC2)cc1Cl ZINC000065227447 569118158 /nfs/dbraw/zinc/11/81/58/569118158.db2.gz IEVHZIINAJKQBU-UHFFFAOYSA-N 0 0 425.920 4.159 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000036596662 569118740 /nfs/dbraw/zinc/11/87/40/569118740.db2.gz IHCKKBFPWBLUDI-SUMWQHHRSA-N 0 0 435.402 4.190 50 0 IIAARN Cc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCC1 ZINC000065232231 569118928 /nfs/dbraw/zinc/11/89/28/569118928.db2.gz VRAZIXRZYUZOAK-UHFFFAOYSA-N 0 0 435.446 4.258 50 0 IIAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1cc(C)ccc1OC)CC2 ZINC000065235512 569119247 /nfs/dbraw/zinc/11/92/47/569119247.db2.gz NPXVBCPDPSKVNB-UHFFFAOYSA-N 0 0 442.947 4.251 50 0 biogenic IIAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239240 569120191 /nfs/dbraw/zinc/12/01/91/569120191.db2.gz FXKLOZVDAAISHH-QGZVFWFLSA-N 0 0 445.629 4.300 50 0 IIAARN CCN1c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2Sc2ncccc2C1=O ZINC000065241364 569120987 /nfs/dbraw/zinc/12/09/87/569120987.db2.gz GYGJNEQNPAPMMM-UHFFFAOYSA-N 0 0 435.505 4.482 50 0 IIAARN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251507 569122013 /nfs/dbraw/zinc/12/20/13/569122013.db2.gz NPEHNQWRZBIGKU-CYBMUJFWSA-N 0 0 432.459 4.133 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c12 ZINC000036616109 569122750 /nfs/dbraw/zinc/12/27/50/569122750.db2.gz FUOBXHFSQGCBTC-UHFFFAOYSA-N 0 0 441.470 4.069 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccc(F)c(C)c3)c3ncccc3S2(=O)=O)c1 ZINC000065255485 569122886 /nfs/dbraw/zinc/12/28/86/569122886.db2.gz PNEMJPHVZQKQPC-UHFFFAOYSA-N 0 0 427.457 4.000 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)c12 ZINC000036616408 569122887 /nfs/dbraw/zinc/12/28/87/569122887.db2.gz CUVYOASLFQAOCX-HXUWFJFHSA-N 0 0 434.519 4.218 50 0 IIAARN CCn1nccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036613255 569123686 /nfs/dbraw/zinc/12/36/86/569123686.db2.gz QCKKAUJFDHRAPE-INIZCTEOSA-N 0 0 428.540 4.373 50 0 IIAARN CCn1nccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036613254 569123773 /nfs/dbraw/zinc/12/37/73/569123773.db2.gz QCKKAUJFDHRAPE-MRXNPFEDSA-N 0 0 428.540 4.373 50 0 IIAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 ZINC000036613358 569123866 /nfs/dbraw/zinc/12/38/66/569123866.db2.gz NQFCWDBNTJIJLZ-HNNXBMFYSA-N 0 0 428.540 4.198 50 0 IIAARN COc1cccc(NC(=O)N2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)c1 ZINC000065258102 569124370 /nfs/dbraw/zinc/12/43/70/569124370.db2.gz RCTFOXCBEXDDSZ-UHFFFAOYSA-N 0 0 436.516 4.008 50 0 IIAARN COc1ccc(CNC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)cc1 ZINC000065260024 569124981 /nfs/dbraw/zinc/12/49/81/569124981.db2.gz RTCGNGSDIXXTNA-AREMUKBSSA-N 0 0 447.583 4.427 50 0 IIAARN COc1ccc(NC(=O)CCn2c3nn(C(C)C)cc3c(C(F)(F)F)cc2=O)c(C)c1 ZINC000036621507 569126217 /nfs/dbraw/zinc/12/62/17/569126217.db2.gz KWVVHYRDMVIWRZ-UHFFFAOYSA-N 0 0 436.434 4.144 50 0 IIAARN CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)c(Cl)c3)CC2)ncn1 ZINC000065274207 569128404 /nfs/dbraw/zinc/12/84/04/569128404.db2.gz SWZZIVWMSAYFID-UHFFFAOYSA-N 0 0 433.959 4.404 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000065272543 569129051 /nfs/dbraw/zinc/12/90/51/569129051.db2.gz BHKNPETVWCFLAE-UHFFFAOYSA-N 0 0 438.890 4.498 50 0 IIAARN O=C(Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1)c1cccc(Br)c1 ZINC000065272573 569129111 /nfs/dbraw/zinc/12/91/11/569129111.db2.gz QCDKYOPKXUSLAV-UHFFFAOYSA-N 0 0 429.318 4.281 50 0 IIAARN C[C@@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000036645810 569130356 /nfs/dbraw/zinc/13/03/56/569130356.db2.gz MWORPVTVFHDXID-HZPDHXFCSA-N 0 0 431.581 4.346 50 0 IIAARN Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CN(Cc1cccc(F)c1)CC2 ZINC000065292001 569130530 /nfs/dbraw/zinc/13/05/30/569130530.db2.gz FJHYQZNOAVUCOA-UHFFFAOYSA-N 0 0 433.527 4.248 50 0 IIAARN CC(C)Cn1c2ccccc2n2nc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2c1=O ZINC000065292394 569130729 /nfs/dbraw/zinc/13/07/29/569130729.db2.gz AYCVJTPKDSEHLX-HXUWFJFHSA-N 0 0 429.524 4.068 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2ccn3c(c2)nnc3-c2ccc(Cl)cc2)CC1 ZINC000065296162 569131631 /nfs/dbraw/zinc/13/16/31/569131631.db2.gz SJQMSCCCBPTSAU-UHFFFAOYSA-N 0 0 447.926 4.021 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)sc12 ZINC000065297110 569131700 /nfs/dbraw/zinc/13/17/00/569131700.db2.gz GHRMIIYKDKGKKN-UHFFFAOYSA-N 0 0 435.528 4.200 50 0 IIAARN CCOc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccccc3)CC2)cc1 ZINC000065297191 569131723 /nfs/dbraw/zinc/13/17/23/569131723.db2.gz JUDFAXONUDUKLL-UHFFFAOYSA-N 0 0 447.564 4.152 50 0 IIAARN Cc1cnc(NC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)s1 ZINC000065301684 569132818 /nfs/dbraw/zinc/13/28/18/569132818.db2.gz QIXFYHSXTHSYNR-UHFFFAOYSA-N 0 0 442.508 4.256 50 0 IIAARN Cc1c(C(=O)N2CCN(c3nc4c(cccc4Cl)s3)CC2)cnn1-c1ccccc1 ZINC000036687705 569132954 /nfs/dbraw/zinc/13/29/54/569132954.db2.gz DWXBXLABWRZTIW-UHFFFAOYSA-N 0 0 437.956 4.406 50 0 IIAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)NCc4cc(F)cc(F)c4)sc32)cc1 ZINC000065306764 569133555 /nfs/dbraw/zinc/13/35/55/569133555.db2.gz NLRTYSVVCHWVCU-UHFFFAOYSA-N 0 0 442.491 4.370 50 0 IIAARN CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)C1 ZINC000065315502 569134156 /nfs/dbraw/zinc/13/41/56/569134156.db2.gz RYCACRJXRRVYCA-GOSISDBHSA-N 0 0 437.544 4.327 50 0 IIAARN O=C(c1cnn2ccc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)cc12)N1CCCC1 ZINC000065315603 569134268 /nfs/dbraw/zinc/13/42/68/569134268.db2.gz CCJRTOGJGFTAQX-UHFFFAOYSA-N 0 0 436.943 4.244 50 0 IIAARN CC(C)c1cccc(NC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c1 ZINC000065314000 569135318 /nfs/dbraw/zinc/13/53/18/569135318.db2.gz WSDILYFQPURDME-QFIPXVFZSA-N 0 0 430.552 4.270 50 0 IIAARN O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000065315196 569135807 /nfs/dbraw/zinc/13/58/07/569135807.db2.gz XGMWMURIBKBDNZ-UHFFFAOYSA-N 0 0 439.940 4.092 50 0 IIAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320906 569136313 /nfs/dbraw/zinc/13/63/13/569136313.db2.gz YFPAEORDSJLQNZ-LJQANCHMSA-N 0 0 429.929 4.405 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cn(CCOc3ccccc3C)c3ccccc23)S1 ZINC000065322491 569136731 /nfs/dbraw/zinc/13/67/31/569136731.db2.gz JYPHGRCECVGHII-JOCHJYFZSA-N 0 0 436.537 4.030 50 0 IIAARN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C12CC3CC(CC(C3)C1)C2 ZINC000036747877 569137524 /nfs/dbraw/zinc/13/75/24/569137524.db2.gz RBZBSWAACYYVRY-IJBPVIJFSA-N 0 0 448.629 4.107 50 0 IIAARN COc1ccc2nc(NC(=O)[C@H]3CC[C@H](Cn4cnc5ccccc5c4=O)CC3)sc2c1 ZINC000238950859 569138154 /nfs/dbraw/zinc/13/81/54/569138154.db2.gz ZZPPZDICVPRPAX-WKILWMFISA-N 0 0 448.548 4.460 50 0 IIAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000065548418 569139484 /nfs/dbraw/zinc/13/94/84/569139484.db2.gz BWUUNLXEJNGZKF-SFHVURJKSA-N 0 0 433.986 4.335 50 0 IIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000037115262 569140065 /nfs/dbraw/zinc/14/00/65/569140065.db2.gz NRWMSKSFJLFVPP-UHFFFAOYSA-N 0 0 428.476 4.349 50 0 IIAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc(-c2nc[nH]n2)no1 ZINC000526052323 569140506 /nfs/dbraw/zinc/14/05/06/569140506.db2.gz YSZQBXHCYRNPHS-HXUWFJFHSA-N 0 0 439.479 4.197 50 0 IIAARN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)C[C@H](C)O1 ZINC000170593801 569141243 /nfs/dbraw/zinc/14/12/43/569141243.db2.gz JOLIOOOZELLFCN-CALCHBBNSA-N 0 0 426.582 4.196 50 0 IIAARN CCC(CC)(C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(OC)c(OC)c1 ZINC000170595137 569141429 /nfs/dbraw/zinc/14/14/29/569141429.db2.gz CDCUWOGDIBEPTL-LJQANCHMSA-N 0 0 440.584 4.413 50 0 IIAARN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)COc2ccc(C(F)(F)F)cc2)n1 ZINC000170611817 569145097 /nfs/dbraw/zinc/14/50/97/569145097.db2.gz WWJDMMWICZOKJJ-HNNXBMFYSA-N 0 0 428.432 4.081 50 0 IIAARN Cc1ccc([C@@H]2c3cc(O[C@H](C)C(=O)NCC(C)C)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037280952 569146058 /nfs/dbraw/zinc/14/60/58/569146058.db2.gz NBDOCTWLJVFFRU-KBMIEXCESA-N 0 0 434.580 4.419 50 0 IIAARN COC(=O)c1c(Br)cc(Br)c(NC(=O)[C@H](C)OCC2CC2)c1C ZINC000170617632 569146930 /nfs/dbraw/zinc/14/69/30/569146930.db2.gz DKQOVNPLWGXGEB-VIFPVBQESA-N 0 0 449.139 4.060 50 0 IIAARN Cc1c(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)nnn1-c1cccc(Cl)c1 ZINC000170618335 569147011 /nfs/dbraw/zinc/14/70/11/569147011.db2.gz WVSJESKZOVMNHD-MRXNPFEDSA-N 0 0 444.366 4.447 50 0 IIAARN Cc1ccccc1C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccsc1 ZINC000170618394 569147018 /nfs/dbraw/zinc/14/70/18/569147018.db2.gz STMVHACYKFMHDW-OAQYLSRUSA-N 0 0 439.562 4.420 50 0 IIAARN Cc1csc(C2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)CC2)n1 ZINC000170626264 569148632 /nfs/dbraw/zinc/14/86/32/569148632.db2.gz AISNIMAJKAAWSA-UHFFFAOYSA-N 0 0 432.343 4.075 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)cc12 ZINC000010028711 569151774 /nfs/dbraw/zinc/15/17/74/569151774.db2.gz VZNYMLJIVDQXBM-UHFFFAOYSA-N 0 0 439.585 4.489 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(Cc3ccccc3)o2)c1 ZINC000010028590 569151827 /nfs/dbraw/zinc/15/18/27/569151827.db2.gz DTPZBJPUEOBHKO-IBGZPJMESA-N 0 0 439.537 4.133 50 0 IIAARN COc1ccc(SCC(=O)N2CCN(c3nc4c(cc(F)cc4F)s3)CC2)cc1 ZINC000010219243 569153598 /nfs/dbraw/zinc/15/35/98/569153598.db2.gz IZHRFSLIRPXVEP-UHFFFAOYSA-N 0 0 435.521 4.024 50 0 IIAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1C ZINC000013696541 569156691 /nfs/dbraw/zinc/15/66/91/569156691.db2.gz HULPFGOLQATJNK-UHFFFAOYSA-N 0 0 430.570 4.438 50 0 IIAARN O=C(NCCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000013800445 569157197 /nfs/dbraw/zinc/15/71/97/569157197.db2.gz RLDRBFLICHMTTI-UHFFFAOYSA-N 0 0 432.402 4.021 50 0 IIAARN Cc1nc(SCC(=O)N[C@@H](c2nccn2C)c2ccccc2)[nH]c1Cc1ccccc1 ZINC000014044958 569157561 /nfs/dbraw/zinc/15/75/61/569157561.db2.gz UEIWVUOXUNQAHG-JOCHJYFZSA-N 0 0 431.565 4.040 50 0 IIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H](C)n1c(=O)oc2ccccc21 ZINC000014166525 569157905 /nfs/dbraw/zinc/15/79/05/569157905.db2.gz YAEMYVIFCJUANI-GFCCVEGCSA-N 0 0 443.452 4.429 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1Br ZINC000014247278 569158404 /nfs/dbraw/zinc/15/84/04/569158404.db2.gz YSFIXNRDPAPDQI-UHFFFAOYSA-N 0 0 433.199 4.318 50 0 IIAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000089638939 569160235 /nfs/dbraw/zinc/16/02/35/569160235.db2.gz AVKVFRLDSJKLOQ-UHFFFAOYSA-N 0 0 448.544 4.350 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014672729 569161822 /nfs/dbraw/zinc/16/18/22/569161822.db2.gz LNVAZTNHOHKQTD-BUHFOSPRSA-N 0 0 428.536 4.401 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(F)cc4)n3)CC2)cc1 ZINC000016850238 569164699 /nfs/dbraw/zinc/16/46/99/569164699.db2.gz USNBDHNPNSVPIV-UHFFFAOYSA-N 0 0 438.528 4.120 50 0 IIAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830397 569165540 /nfs/dbraw/zinc/16/55/40/569165540.db2.gz YSABYPFNBDVCKC-AREMUKBSSA-N 0 0 435.527 4.279 50 0 IIAARN COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891261 569165809 /nfs/dbraw/zinc/16/58/09/569165809.db2.gz XUSVATLRTSCCDN-DVECYGJZSA-N 0 0 435.593 4.439 50 0 IIAARN O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)[C@H]1CC(=O)Nc2ccccc21 ZINC000089857724 569165883 /nfs/dbraw/zinc/16/58/83/569165883.db2.gz RFCHJQFQLPALKQ-SFHVURJKSA-N 0 0 430.895 4.421 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c1 ZINC000016943192 569166808 /nfs/dbraw/zinc/16/68/08/569166808.db2.gz HZXRRSDGKZHOKG-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904483 569167040 /nfs/dbraw/zinc/16/70/40/569167040.db2.gz MBQPGPZUXLWCPU-VOJFVSQTSA-N 0 0 430.291 4.342 50 0 IIAARN CCC(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)ccc1F ZINC000089941793 569168456 /nfs/dbraw/zinc/16/84/56/569168456.db2.gz APVAMYZGFAZLKL-KRWDZBQOSA-N 0 0 436.277 4.215 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000016977003 569168948 /nfs/dbraw/zinc/16/89/48/569168948.db2.gz RGFKSWGEUNOKBY-INIZCTEOSA-N 0 0 428.897 4.261 50 0 IIAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000016992121 569169715 /nfs/dbraw/zinc/16/97/15/569169715.db2.gz PZRCQDLRGLKKTB-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN COc1ccc(CCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1Br ZINC000207986112 569170160 /nfs/dbraw/zinc/17/01/60/569170160.db2.gz VYSDSIGLDNJGNA-QFIPXVFZSA-N 0 0 444.325 4.079 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccc(F)c(Cl)c4)ncn3)CC2)c1 ZINC000037355945 569171165 /nfs/dbraw/zinc/17/11/65/569171165.db2.gz ZPNPIZVFRIXROR-UHFFFAOYSA-N 0 0 442.878 4.032 50 0 IIAARN COc1ccccc1CN(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)[C@H](C)c1ccccc1 ZINC000252012204 569172168 /nfs/dbraw/zinc/17/21/68/569172168.db2.gz SRJVSFDZCNMEMW-DENIHFKCSA-N 0 0 449.551 4.355 50 0 IIAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000017169791 569175436 /nfs/dbraw/zinc/17/54/36/569175436.db2.gz VNMBJQBADBPWFN-GOSISDBHSA-N 0 0 441.402 4.383 50 0 IIAARN COc1ccc(-c2nc(N3CCCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1OC ZINC000037358053 569175877 /nfs/dbraw/zinc/17/58/77/569175877.db2.gz ZWCUAWNECPBOFK-UHFFFAOYSA-N 0 0 448.502 4.211 50 0 IIAARN O=C(NCCc1csc2nc(-c3ccccc3)nn12)c1ccccc1Br ZINC000017192304 569175892 /nfs/dbraw/zinc/17/58/92/569175892.db2.gz ULBAIPCVAUBZRM-UHFFFAOYSA-N 0 0 427.327 4.193 50 0 IIAARN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000170635069 569176173 /nfs/dbraw/zinc/17/61/73/569176173.db2.gz UJHQVTDISVFIBZ-IMJJTQAJSA-N 0 0 432.870 4.327 50 0 IIAARN Cc1cc(OC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 ZINC000002095941 569179251 /nfs/dbraw/zinc/17/92/51/569179251.db2.gz KYTXIISCVSBQEB-SFHVURJKSA-N 0 0 437.492 4.451 50 0 biogenic IIAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1 ZINC000002103425 569180001 /nfs/dbraw/zinc/18/00/01/569180001.db2.gz SXXXIGSAYLWYKZ-IGKIAQTJSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000001299975 569180076 /nfs/dbraw/zinc/18/00/76/569180076.db2.gz BCXAFVMXIFVOEP-UHFFFAOYSA-N 0 0 446.374 4.052 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Br)N2C(=O)CCSC2=N1 ZINC000000702589 569180373 /nfs/dbraw/zinc/18/03/73/569180373.db2.gz VITPMTCZDPILKL-QGZVFWFLSA-N 0 0 437.359 4.299 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 ZINC000001247025 569180579 /nfs/dbraw/zinc/18/05/79/569180579.db2.gz NJXASFNXNAKEOE-UHFFFAOYSA-N 0 0 430.485 4.398 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cccnc1 ZINC000002522903 569180864 /nfs/dbraw/zinc/18/08/64/569180864.db2.gz CUQXUAFUTZZQRF-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCCC1)nc2-c1ccc2c(c1)OCO2 ZINC000037360767 569181600 /nfs/dbraw/zinc/18/16/00/569181600.db2.gz FGVYLHIRNBCOOY-UHFFFAOYSA-N 0 0 434.887 4.047 50 0 IIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@@H](C)CC)CC(=O)N21 ZINC000002108967 569181813 /nfs/dbraw/zinc/18/18/13/569181813.db2.gz BNTTYFAVKISXRJ-YVPSIOQSSA-N 0 0 431.536 4.050 50 0 biogenic IIAARN CCCc1cc2c3c(c(=O)oc2cc1OC(=O)CNC(=O)OCc1ccccc1)CCC3 ZINC000002122247 569183661 /nfs/dbraw/zinc/18/36/61/569183661.db2.gz MMFPNQGZUIFUQT-UHFFFAOYSA-N 0 0 435.476 4.066 50 0 biogenic IIAARN Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)cn2n1 ZINC000207995960 569183770 /nfs/dbraw/zinc/18/37/70/569183770.db2.gz GOWMEZZOHFXNDG-UHFFFAOYSA-N 0 0 440.956 4.269 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000252444278 569183777 /nfs/dbraw/zinc/18/37/77/569183777.db2.gz NRUIWVCGIQIHSB-VGSWGCGISA-N 0 0 448.544 4.080 50 0 IIAARN O=C(CCSCc1csc(-c2ccc(F)cc2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000027192588 569184546 /nfs/dbraw/zinc/18/45/46/569184546.db2.gz IXPUSGNPEOJLHA-UHFFFAOYSA-N 0 0 428.514 4.381 50 0 IIAARN Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002147595 569187011 /nfs/dbraw/zinc/18/70/11/569187011.db2.gz AEVXNBBPAGPKCL-UHFFFAOYSA-N 0 0 437.492 4.431 50 0 biogenic IIAARN O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000252498007 569187966 /nfs/dbraw/zinc/18/79/66/569187966.db2.gz QTTHKOMTQWWRDZ-NHCUHLMSSA-N 0 0 449.482 4.167 50 0 IIAARN C[C@H]1CCc2c(sc3nc(SCC(=O)N[C@@H]4CCOc5ccccc54)nc(N)c32)C1 ZINC000027314919 569190316 /nfs/dbraw/zinc/19/03/16/569190316.db2.gz DOIGQTMHSXKXPL-SWLSCSKDSA-N 0 0 440.594 4.130 50 0 IIAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)n1 ZINC000037384598 569192141 /nfs/dbraw/zinc/19/21/41/569192141.db2.gz MAKVIOBROXTVRX-UHFFFAOYSA-N 0 0 449.467 4.205 50 0 IIAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCCOC)CCc2ccccc2)n1 ZINC000037384671 569192286 /nfs/dbraw/zinc/19/22/86/569192286.db2.gz BKMPSSUGMGVXJR-UHFFFAOYSA-N 0 0 440.975 4.047 50 0 IIAARN COC(=O)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002204432 569192966 /nfs/dbraw/zinc/19/29/66/569192966.db2.gz QGRIZOPTYLGJNT-UHFFFAOYSA-N 0 0 444.487 4.328 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)CC(C)(C)C)C3CC3)c2)cc1 ZINC000037400524 569194939 /nfs/dbraw/zinc/19/49/39/569194939.db2.gz DHEACMVEQASVKE-UHFFFAOYSA-N 0 0 431.554 4.390 50 0 IIAARN CCOc1cc(CNc2ccccc2OC(F)(F)F)ccc1O[C@H](C)C(=O)N(C)C ZINC000170679466 569195382 /nfs/dbraw/zinc/19/53/82/569195382.db2.gz ASIBNTRGZDZANN-CQSZACIVSA-N 0 0 426.435 4.452 50 0 IIAARN CO[C@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000170683005 569195500 /nfs/dbraw/zinc/19/55/00/569195500.db2.gz XRALFARBWRBXHX-PKOBYXMFSA-N 0 0 431.521 4.197 50 0 IIAARN O=C(C1CCC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441638 569196871 /nfs/dbraw/zinc/19/68/71/569196871.db2.gz WWVKDZLJHFRTFS-LJQANCHMSA-N 0 0 426.900 4.391 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037524299 569198620 /nfs/dbraw/zinc/19/86/20/569198620.db2.gz SNUXVJKQCACOCF-UHFFFAOYSA-N 0 0 445.538 4.497 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)C1 ZINC000037541644 569199317 /nfs/dbraw/zinc/19/93/17/569199317.db2.gz GWJACESWPYGMOY-GOSISDBHSA-N 0 0 440.565 4.483 50 0 IIAARN Cc1cccc([C@@H]2CC(=O)N(Cc3ccc(C(=O)NCc4ccccc4)cc3)C(=O)N2)c1 ZINC000037553964 569200358 /nfs/dbraw/zinc/20/03/58/569200358.db2.gz LULDAQYXZUJXBH-QHCPKHFHSA-N 0 0 427.504 4.108 50 0 IIAARN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037556415 569200546 /nfs/dbraw/zinc/20/05/46/569200546.db2.gz RWLWAFHITSMSAP-UHFFFAOYSA-N 0 0 438.474 4.003 50 0 IIAARN COc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccco2)CC3)cc1 ZINC000037580569 569202086 /nfs/dbraw/zinc/20/20/86/569202086.db2.gz VAHBSTQXCMJUBF-UHFFFAOYSA-N 0 0 448.523 4.305 50 0 IIAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2 ZINC000037602067 569202380 /nfs/dbraw/zinc/20/23/80/569202380.db2.gz XEODFWVGAOVJNW-OSPHWJPCSA-N 0 0 426.532 4.249 50 0 IIAARN O=c1c(=Cc2ccccc2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000252668853 569209845 /nfs/dbraw/zinc/20/98/45/569209845.db2.gz FTTVSOWWJQVIJN-RUZDIDTESA-N 0 0 436.536 4.024 50 0 IIAARN O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000003023640 569211236 /nfs/dbraw/zinc/21/12/36/569211236.db2.gz YNBNKVGJMRSFCR-UHFFFAOYSA-N 0 0 436.867 4.349 50 0 IIAARN CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073819 569212050 /nfs/dbraw/zinc/21/20/50/569212050.db2.gz ZUZBFNNMSSNIBD-KMEZTADASA-N 0 0 427.541 4.057 50 0 IIAARN COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002690561 569212640 /nfs/dbraw/zinc/21/26/40/569212640.db2.gz QBNVIVQUVDOPRB-UHFFFAOYSA-N 0 0 429.472 4.307 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002247476 569214656 /nfs/dbraw/zinc/21/46/56/569214656.db2.gz UOKAGNFFCYJSCM-IBGZPJMESA-N 0 0 446.484 4.403 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002249621 569214841 /nfs/dbraw/zinc/21/48/41/569214841.db2.gz QJUCKFOPAKMTNS-GDBMZVCRSA-N 0 0 443.352 4.222 50 0 IIAARN CCCCn1c(=O)nc2n(-c3ccccc3C)c3c(cc-2c1=O)c(C)nn3-c1ccccc1 ZINC000002259883 569215624 /nfs/dbraw/zinc/21/56/24/569215624.db2.gz DOGGSADSCDWKTE-UHFFFAOYSA-N 0 0 439.519 4.255 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)c1cccc(I)c1 ZINC000027503857 569216283 /nfs/dbraw/zinc/21/62/83/569216283.db2.gz NAJUYLVVZYFDKA-UHFFFAOYSA-N 0 0 430.083 4.326 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1F)N2 ZINC000009490820 569256661 /nfs/dbraw/zinc/25/66/61/569256661.db2.gz ZRVUTKPELFKZLU-HSZRJFAPSA-N 0 0 449.551 4.464 50 0 IIAARN COc1ccc(NC(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000019927531 569257231 /nfs/dbraw/zinc/25/72/31/569257231.db2.gz KWQHNECJYAUYSI-UHFFFAOYSA-N 0 0 447.535 4.164 50 0 IIAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3[nH]c(C(C)C)nc3c1)C=C2 ZINC000253406816 569265286 /nfs/dbraw/zinc/26/52/86/569265286.db2.gz JHQBNYWWAKQOLQ-UHFFFAOYSA-N 0 0 448.523 4.088 50 0 biogenic IIAARN CO[C@H](C)c1noc(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)n1 ZINC000253415654 569266353 /nfs/dbraw/zinc/26/63/53/569266353.db2.gz WGUDJDJFQIPDQL-QGZVFWFLSA-N 0 0 442.947 4.332 50 0 IIAARN O=C(O[C@@H]1CCCCc2c(Br)cccc21)C1CCN(c2cnccn2)CC1 ZINC000253419329 569266709 /nfs/dbraw/zinc/26/67/09/569266709.db2.gz MSKFBJTUJQHMMO-LJQANCHMSA-N 0 0 430.346 4.466 50 0 IIAARN O=C(NC1CCCC1)C1(N(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000002457439 569266939 /nfs/dbraw/zinc/26/69/39/569266939.db2.gz BMTJUNXPTZVGFN-UHFFFAOYSA-N 0 0 438.524 4.412 50 0 IIAARN Cc1cccc2nc(Cn3c(=O)c(C(F)(F)F)nc4ccc(C(F)(F)F)cc43)cn21 ZINC000253424020 569267129 /nfs/dbraw/zinc/26/71/29/569267129.db2.gz XGKLZHSTPILENB-UHFFFAOYSA-N 0 0 426.320 4.439 50 0 IIAARN COc1cccc([C@@H](O)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000253426099 569267383 /nfs/dbraw/zinc/26/73/83/569267383.db2.gz ILBKZMYMNCDOJA-LEWJYISDSA-N 0 0 442.556 4.137 50 0 IIAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002290879 569267876 /nfs/dbraw/zinc/26/78/76/569267876.db2.gz WQURAGTVRWFONW-UHFFFAOYSA-N 0 0 425.467 4.268 50 0 IIAARN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000027548042 569271322 /nfs/dbraw/zinc/27/13/22/569271322.db2.gz RWGWFRCATGIKSI-ZDLGFXPLSA-N 0 0 447.896 4.137 50 0 IIAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccccc3)no2)cc1 ZINC000027576069 569273787 /nfs/dbraw/zinc/27/37/87/569273787.db2.gz BNZLLEIATATLEE-UHFFFAOYSA-N 0 0 428.492 4.424 50 0 IIAARN O=c1cc(-c2ccccn2)nc(SCc2nc(-c3ccc(Br)cc3)no2)[nH]1 ZINC000253537659 569284142 /nfs/dbraw/zinc/28/41/42/569284142.db2.gz BWLOPSXOKJKQGV-UHFFFAOYSA-N 0 0 442.298 4.349 50 0 IIAARN Cc1ccc(N2C(=O)C3=C(C2=O)C(C)=C[C@@H]([C@H]2CC(=O)N(c4ccc(C)cc4)C2=O)C3)cc1 ZINC000002356881 569285934 /nfs/dbraw/zinc/28/59/34/569285934.db2.gz GJLNBYTWJXMIQK-WIYYLYMNSA-N 0 0 440.499 4.019 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)ccc2s1 ZINC000009445308 569296349 /nfs/dbraw/zinc/29/63/49/569296349.db2.gz LNKDAWZJEQFBRF-UHFFFAOYSA-N 0 0 429.567 4.278 50 0 IIAARN CCCc1ccc(OCc2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)c(OC)c1 ZINC000002414708 569301249 /nfs/dbraw/zinc/30/12/49/569301249.db2.gz YKXVPVSWFXCHES-UHFFFAOYSA-N 0 0 428.496 4.312 50 0 IIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1F ZINC000011847561 569302987 /nfs/dbraw/zinc/30/29/87/569302987.db2.gz WROHCRZLIRDFSR-ZRGWGRIASA-N 0 0 434.533 4.190 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000013001281 569306216 /nfs/dbraw/zinc/30/62/16/569306216.db2.gz JIWQAKCITKAQAS-RCDICMHDSA-N 0 0 448.350 4.255 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(Br)o4)cc3)nn2)n1 ZINC000013009700 569306629 /nfs/dbraw/zinc/30/66/29/569306629.db2.gz RZLYSAMRZPGGTJ-UHFFFAOYSA-N 0 0 439.273 4.322 50 0 IIAARN C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)C[C@H](C)O1 ZINC000013011062 569306837 /nfs/dbraw/zinc/30/68/37/569306837.db2.gz CMMUTKFMQBDTSY-CALCHBBNSA-N 0 0 441.478 4.038 50 0 IIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 ZINC000013038904 569307814 /nfs/dbraw/zinc/30/78/14/569307814.db2.gz PQBOUJQFZUVSHA-QGZVFWFLSA-N 0 0 437.517 4.425 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2)C1 ZINC000013040121 569308042 /nfs/dbraw/zinc/30/80/42/569308042.db2.gz NOOIPTNIMPMEDM-IRXDYDNUSA-N 0 0 434.989 4.279 50 0 IIAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl ZINC000013039825 569308050 /nfs/dbraw/zinc/30/80/50/569308050.db2.gz ZHTZRPKBWMMKRX-UHFFFAOYSA-N 0 0 444.940 4.388 50 0 IIAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(O)c1 ZINC000013062517 569308635 /nfs/dbraw/zinc/30/86/35/569308635.db2.gz SCICIDPSBWBTRS-UHFFFAOYSA-N 0 0 427.460 4.349 50 0 IIAARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCCC[C@H]2C(N)=O)c1=S ZINC000013071553 569309037 /nfs/dbraw/zinc/30/90/37/569309037.db2.gz AHKAVJMKTGJGGC-IBGZPJMESA-N 0 0 441.988 4.329 50 0 IIAARN COc1ccc(C=CC(=O)N[C@H](C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 ZINC000013076229 569309249 /nfs/dbraw/zinc/30/92/49/569309249.db2.gz DQHWTTGDCWJXHM-MHHGWNCESA-N 0 0 449.547 4.153 50 0 IIAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC(=O)NCc1ccccc1 ZINC000013075803 569309263 /nfs/dbraw/zinc/30/92/63/569309263.db2.gz MTHRKOZBJSZAQM-UHFFFAOYSA-N 0 0 437.304 4.391 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ncc(Cl)c(Cl)c1Cl ZINC000013095899 569309477 /nfs/dbraw/zinc/30/94/77/569309477.db2.gz KHAPLMVLRRGEAH-UHFFFAOYSA-N 0 0 434.732 4.079 50 0 IIAARN COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013098178 569309814 /nfs/dbraw/zinc/30/98/14/569309814.db2.gz CLCXUHUAPLXRLK-UHFFFAOYSA-N 0 0 445.566 4.122 50 0 IIAARN Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1Cl ZINC000013125975 569311109 /nfs/dbraw/zinc/31/11/09/569311109.db2.gz OTKIAFOOXMWVHT-UHFFFAOYSA-N 0 0 431.872 4.251 50 0 IIAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1C ZINC000013120755 569311155 /nfs/dbraw/zinc/31/11/55/569311155.db2.gz WKBITSRPQPWOOT-UHFFFAOYSA-N 0 0 436.585 4.390 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1)c1ccccc1 ZINC000013352195 569313354 /nfs/dbraw/zinc/31/33/54/569313354.db2.gz XPAJOQCOQFZPCU-UHFFFAOYSA-N 0 0 447.579 4.488 50 0 IIAARN CCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013352343 569313364 /nfs/dbraw/zinc/31/33/64/569313364.db2.gz NREXHMGDKVHMDM-UHFFFAOYSA-N 0 0 441.959 4.361 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1 ZINC000013354082 569313471 /nfs/dbraw/zinc/31/34/71/569313471.db2.gz UFLREGLVLRNLNN-UHFFFAOYSA-N 0 0 443.569 4.108 50 0 IIAARN O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccccc3)c2=O)cc1)c1ccc(F)cc1 ZINC000013358885 569313751 /nfs/dbraw/zinc/31/37/51/569313751.db2.gz UNNAEPGPBFLYAN-UHFFFAOYSA-N 0 0 441.462 4.159 50 0 IIAARN O=C(COc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361112 569314017 /nfs/dbraw/zinc/31/40/17/569314017.db2.gz MDVXTRMCSZMYQR-UHFFFAOYSA-N 0 0 435.480 4.372 50 0 IIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(C)c4)c3)cc2=O)s1 ZINC000013368544 569314591 /nfs/dbraw/zinc/31/45/91/569314591.db2.gz RPMQIGXCRKQTLM-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN CCCc1nn2c(nc(COc3ccc(NC(=O)c4ccccc4C)cc3)cc2=O)s1 ZINC000013368595 569314714 /nfs/dbraw/zinc/31/47/14/569314714.db2.gz CLQZBYSAWSDPNK-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN CC[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)c1ccccc1 ZINC000328590624 569316968 /nfs/dbraw/zinc/31/69/68/569316968.db2.gz UXXCHQCFFVYXRE-QUCCMNQESA-N 0 0 426.561 4.124 50 0 IIAARN COCCCCN(C(=O)CSc1ccc(OC)cc1)c1ccc(Br)cn1 ZINC000328596810 569317972 /nfs/dbraw/zinc/31/79/72/569317972.db2.gz AFIXSCJELCAQLQ-UHFFFAOYSA-N 0 0 439.375 4.405 50 0 IIAARN C[C@](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)(C(N)=O)c1ccccc1 ZINC000078720339 569318609 /nfs/dbraw/zinc/31/86/09/569318609.db2.gz QNTWFCYKMRFVNQ-OAQYLSRUSA-N 0 0 429.398 4.023 50 0 IIAARN CCCOc1c(Cl)cc(/C=C/C(=O)N(CCNC(C)=O)Cc2ccccc2)cc1OC ZINC000078815096 569319296 /nfs/dbraw/zinc/31/92/96/569319296.db2.gz YCUPDHJKARPOAY-ZHACJKMWSA-N 0 0 444.959 4.316 50 0 IIAARN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000078875806 569319792 /nfs/dbraw/zinc/31/97/92/569319792.db2.gz DBYOQNVBXRLPBH-UHFFFAOYSA-N 0 0 435.499 4.266 50 0 IIAARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)cc2)n1 ZINC000078879214 569320024 /nfs/dbraw/zinc/32/00/24/569320024.db2.gz FLXGHFJARVOZQP-NBGIEHNGSA-N 0 0 432.568 4.050 50 0 IIAARN CC(C)[C@@H]1CN(C(=O)COC2CCCC2)c2ccccc2N1C(=O)COC1CCCC1 ZINC000078968408 569320832 /nfs/dbraw/zinc/32/08/32/569320832.db2.gz ATUHSYFEXQQNAF-QHCPKHFHSA-N 0 0 428.573 4.309 50 0 IIAARN COc1ccc([C@@H](CNC(=O)CCc2nc([C@H](C)OC)no2)c2c[nH]c3ccccc32)cc1 ZINC000079018078 569322277 /nfs/dbraw/zinc/32/22/77/569322277.db2.gz DLKASEKYROMDRJ-OXJNMPFZSA-N 0 0 448.523 4.148 50 0 IIAARN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000079026393 569322929 /nfs/dbraw/zinc/32/29/29/569322929.db2.gz AGXVEWUPWOXAJL-BUXKBTBVSA-N 0 0 430.936 4.466 50 0 IIAARN O=C(CCc1ccc(F)cc1)N1CCN(C(=O)CCc2ccc(F)cc2)c2cnccc21 ZINC000079050885 569323353 /nfs/dbraw/zinc/32/33/53/569323353.db2.gz UWPDDHRVPHIOSO-UHFFFAOYSA-N 0 0 435.474 4.305 50 0 IIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@@H](c4cnn(C)c4)C3)o2)cc1 ZINC000079050505 569323386 /nfs/dbraw/zinc/32/33/86/569323386.db2.gz GKIDEABOPMVDOP-HSZRJFAPSA-N 0 0 428.492 4.264 50 0 IIAARN COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1-n1nnnc1C1CC1 ZINC000079057633 569323773 /nfs/dbraw/zinc/32/37/73/569323773.db2.gz ZSJIWDFZMXNKHP-UHFFFAOYSA-N 0 0 434.283 4.116 50 0 IIAARN COC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000079096886 569325422 /nfs/dbraw/zinc/32/54/22/569325422.db2.gz VUBHJCRGWBVACR-RTBURBONSA-N 0 0 433.549 4.345 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)s2)cc1OC ZINC000019796622 569329544 /nfs/dbraw/zinc/32/95/44/569329544.db2.gz TXOWVJFVZJWLDC-LLVKDONJSA-N 0 0 439.493 4.107 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2)cc1 ZINC000019855235 569330512 /nfs/dbraw/zinc/33/05/12/569330512.db2.gz NZSWCOUKMQGFSX-UHFFFAOYSA-N 0 0 428.492 4.083 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Br)c2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002463317 569331589 /nfs/dbraw/zinc/33/15/89/569331589.db2.gz WLFVTIYHEWWPPR-MLGOLLRUSA-N 0 0 437.359 4.297 50 0 IIAARN O=C(CSc1nc2ccccc2nc1N1CCCC1)NCCc1ccc(Cl)cc1 ZINC000020069429 569333260 /nfs/dbraw/zinc/33/32/60/569333260.db2.gz CMZSTHDUOIFYCJ-UHFFFAOYSA-N 0 0 426.973 4.334 50 0 IIAARN CCOc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000020105027 569334201 /nfs/dbraw/zinc/33/42/01/569334201.db2.gz ULQNRVCRUKFZCK-RPBOFIJWSA-N 0 0 426.516 4.239 50 0 IIAARN Cn1nc(-c2ccccc2)cc1C(=O)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826280 569353856 /nfs/dbraw/zinc/35/38/56/569353856.db2.gz GXMDSORUEOBSTF-UHFFFAOYSA-N 0 0 440.551 4.431 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cn(C[C@@H](O)c5ccco5)nn4)cc3)sc2c1 ZINC000390828058 569353982 /nfs/dbraw/zinc/35/39/82/569353982.db2.gz OCHOQTBYBIGSBO-LJQANCHMSA-N 0 0 445.504 4.442 50 0 IIAARN CC(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(Cl)cc4)c(Cl)c1=O)(C3)C2 ZINC000020177339 569354528 /nfs/dbraw/zinc/35/45/28/569354528.db2.gz RGGMUFOJJDAEDE-BXBLUCELSA-N 0 0 447.366 4.478 50 0 IIAARN CCOCCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181367 569355298 /nfs/dbraw/zinc/35/52/98/569355298.db2.gz TXFKTJFAPZTZIW-XSFVSMFZSA-N 0 0 430.957 4.363 50 0 IIAARN CCCCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020208855 569356031 /nfs/dbraw/zinc/35/60/31/569356031.db2.gz NZGVRVQVTNBBBF-DNQXCXABSA-N 0 0 436.552 4.189 50 0 IIAARN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000020209317 569356098 /nfs/dbraw/zinc/35/60/98/569356098.db2.gz PBKTZJKJCZBMSB-UHFFFAOYSA-N 0 0 440.443 4.075 50 0 IIAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCc1ccc(C)cc1 ZINC000020241560 569358026 /nfs/dbraw/zinc/35/80/26/569358026.db2.gz XVQZFISTZVNSFE-GDLZYMKVSA-N 0 0 430.957 4.219 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000020242063 569358147 /nfs/dbraw/zinc/35/81/47/569358147.db2.gz ZETSJNBBPQJELC-SFHVURJKSA-N 0 0 440.565 4.011 50 0 IIAARN CCN1c2cc(C(=O)NCc3ccccc3Cl)ccc2[S@](=O)c2ccccc2C1=O ZINC000020242875 569358286 /nfs/dbraw/zinc/35/82/86/569358286.db2.gz HWJUIPHFCWMHOL-PMERELPUSA-N 0 0 438.936 4.417 50 0 IIAARN COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(C4CCCCC4)cc3)n2)c(OC)c1 ZINC000020330712 569360934 /nfs/dbraw/zinc/36/09/34/569360934.db2.gz PVQADDAZQDLGQT-UHFFFAOYSA-N 0 0 441.553 4.434 50 0 IIAARN CN(CC(=O)Nc1ccccc1OC(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356872 569362160 /nfs/dbraw/zinc/36/21/60/569362160.db2.gz IKVIVPYVYSTGPV-MAUKXSAKSA-N 0 0 431.266 4.123 50 0 IIAARN NC(=O)COc1ccc(C=C2SC(=O)N=C2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000080338537 569362512 /nfs/dbraw/zinc/36/25/12/569362512.db2.gz GRYJFGZPFSWHHL-OQLLNIDSSA-N 0 0 437.399 4.168 50 0 IIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCc1ccccc1 ZINC000020384782 569362882 /nfs/dbraw/zinc/36/28/82/569362882.db2.gz GUPBDESDOZWFGI-UHFFFAOYSA-N 0 0 446.576 4.473 50 0 IIAARN CCOC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000095381760 569363232 /nfs/dbraw/zinc/36/32/32/569363232.db2.gz LYSBLARQNVDEFC-UHFFFAOYSA-N 0 0 426.513 4.168 50 0 IIAARN O=C1c2cccc(-n3cccc3)c2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020405299 569363706 /nfs/dbraw/zinc/36/37/06/569363706.db2.gz WQEGRIPGPKNKOZ-UHFFFAOYSA-N 0 0 434.805 4.253 50 0 IIAARN CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000095436614 569366601 /nfs/dbraw/zinc/36/66/01/569366601.db2.gz GWYWINFXTXCWGR-UHFFFAOYSA-N 0 0 438.142 4.333 50 0 IIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000095460956 569369715 /nfs/dbraw/zinc/36/97/15/569369715.db2.gz KVDIGZDQEHABEA-NOVUIFNWSA-N 0 0 429.590 4.072 50 0 IIAARN O=C(CCS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 ZINC000002541822 569408876 /nfs/dbraw/zinc/40/88/76/569408876.db2.gz MIOIGCQDHARJMT-UHFFFAOYSA-N 0 0 443.187 4.191 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000095469804 569371731 /nfs/dbraw/zinc/37/17/31/569371731.db2.gz VBEQRTVLPNEFAS-QFIPXVFZSA-N 0 0 448.519 4.172 50 0 IIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482384 569374360 /nfs/dbraw/zinc/37/43/60/569374360.db2.gz LXJBEYBCIPUUPZ-INIZCTEOSA-N 0 0 434.265 4.112 50 0 IIAARN O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000020643533 569374899 /nfs/dbraw/zinc/37/48/99/569374899.db2.gz AJAUFTOZRGLKAC-UHFFFAOYSA-N 0 0 442.629 4.096 50 0 IIAARN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)n[nH]1)CC2)c1ccsc1 ZINC000096096387 569381198 /nfs/dbraw/zinc/38/11/98/569381198.db2.gz KALPWXXUWMJSIT-UHFFFAOYSA-N 0 0 441.563 4.107 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099901 569381835 /nfs/dbraw/zinc/38/18/35/569381835.db2.gz DERZJCQQCYQUCO-UHFFFAOYSA-N 0 0 439.541 4.363 50 0 IIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc3c1ccn3CC(C)C)C=C2 ZINC000096116074 569383675 /nfs/dbraw/zinc/38/36/75/569383675.db2.gz AVLCEUZXHVVDPZ-UHFFFAOYSA-N 0 0 447.535 4.309 50 0 biogenic IIAARN CC(C)CN(CCC(=O)NCc1ccncc1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000096210615 569386438 /nfs/dbraw/zinc/38/64/38/569386438.db2.gz YEDUQLGUKRLUCD-UHFFFAOYSA-N 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ZINC000096281497 569389934 /nfs/dbraw/zinc/38/99/34/569389934.db2.gz DJMUCIANAZNVRW-ZCYQVOJMSA-N 0 0 434.580 4.306 50 0 IIAARN Cc1ccc2nc(-c3ccco3)nc(N3CCN(C(=O)COCc4ccccc4)CC3)c2c1 ZINC000096288709 569390460 /nfs/dbraw/zinc/39/04/60/569390460.db2.gz URQQDVPRWWBMFW-UHFFFAOYSA-N 0 0 442.519 4.064 50 0 IIAARN CCS(=O)(=O)Oc1cc(CN(CC2CC2)C(=O)c2ccccc2Cl)ccc1OC ZINC000096294645 569391806 /nfs/dbraw/zinc/39/18/06/569391806.db2.gz CESQTKXCJVYMDM-UHFFFAOYSA-N 0 0 437.945 4.130 50 0 IIAARN COc1cccc(C2=NC(=Cc3ccc(OCC(=O)c4ccccc4)c(OC)c3)C(=O)O2)c1 ZINC000096298626 569392096 /nfs/dbraw/zinc/39/20/96/569392096.db2.gz BLMDTFRDFSXCOH-BKUYFWCQSA-N 0 0 443.455 4.310 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316740 569392824 /nfs/dbraw/zinc/39/28/24/569392824.db2.gz RHQDKMYEURWABD-UHFFFAOYSA-N 0 0 446.517 4.406 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000096320215 569394055 /nfs/dbraw/zinc/39/40/55/569394055.db2.gz ANHNOFNZFRDMDA-UHFFFAOYSA-N 0 0 430.851 4.109 50 0 IIAARN CSc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)cc1 ZINC000096322268 569394430 /nfs/dbraw/zinc/39/44/30/569394430.db2.gz SKNAIEWFOVMNSH-UHFFFAOYSA-N 0 0 429.505 4.292 50 0 IIAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000096323133 569395114 /nfs/dbraw/zinc/39/51/14/569395114.db2.gz SQZSILJZAZHOBO-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000096326201 569396091 /nfs/dbraw/zinc/39/60/91/569396091.db2.gz LJBMWLGOGKHCHO-UHFFFAOYSA-N 0 0 445.610 4.043 50 0 IIAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O ZINC000096335874 569396643 /nfs/dbraw/zinc/39/66/43/569396643.db2.gz GSHYWTVQEMPFSL-QGZVFWFLSA-N 0 0 431.897 4.381 50 0 IIAARN CSc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1 ZINC000096372479 569397856 /nfs/dbraw/zinc/39/78/56/569397856.db2.gz KWERWOIJPAWJHV-UHFFFAOYSA-N 0 0 448.592 4.477 50 0 IIAARN O=C(NCCc1csc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)n1)C1CCC1 ZINC000096373261 569398054 /nfs/dbraw/zinc/39/80/54/569398054.db2.gz OADXCUPIAIXPGK-HNNXBMFYSA-N 0 0 449.979 4.414 50 0 IIAARN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 ZINC000096375394 569398237 /nfs/dbraw/zinc/39/82/37/569398237.db2.gz WFDHHCWQCRKQLP-QIDMFYOTSA-N 0 0 431.529 4.117 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)cc1OC ZINC000096386239 569398440 /nfs/dbraw/zinc/39/84/40/569398440.db2.gz LFMBWKXQRZFZHS-KRWDZBQOSA-N 0 0 430.504 4.284 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386453 569398545 /nfs/dbraw/zinc/39/85/45/569398545.db2.gz UCHMONYUZUWJGA-UHFFFAOYSA-N 0 0 430.936 4.192 50 0 IIAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(F)cc1)NCc1ccc(F)cc1Cl ZINC000096387156 569398850 /nfs/dbraw/zinc/39/88/50/569398850.db2.gz VKDUOKXUGSTAEP-IBGZPJMESA-N 0 0 427.838 4.421 50 0 IIAARN CCc1nc2cc(N3CCC[C@@H](C(=O)Nc4ccc(OC)cc4OC)C3)cnc2nc1CC ZINC000096387353 569398905 /nfs/dbraw/zinc/39/89/05/569398905.db2.gz UWPFFLXVRXJHSS-MRXNPFEDSA-N 0 0 449.555 4.022 50 0 IIAARN COc1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)c(OC)c1 ZINC000096396474 569399116 /nfs/dbraw/zinc/39/91/16/569399116.db2.gz PVUBSQRCMWMURH-UHFFFAOYSA-N 0 0 436.439 4.360 50 0 IIAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCc1cc(F)cc(F)c1 ZINC000096396549 569399134 /nfs/dbraw/zinc/39/91/34/569399134.db2.gz YLAUZLONVMEQKR-UHFFFAOYSA-N 0 0 426.394 4.299 50 0 IIAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)c2ccc(OC)cc2OC)cc1OCC ZINC000096400553 569400407 /nfs/dbraw/zinc/40/04/07/569400407.db2.gz KKRDOZVPKPEELL-UHFFFAOYSA-N 0 0 425.485 4.452 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000096404330 569400652 /nfs/dbraw/zinc/40/06/52/569400652.db2.gz LNVAZTNHOHKQTD-YPKPFQOOSA-N 0 0 428.536 4.401 50 0 IIAARN COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000096592096 569401808 /nfs/dbraw/zinc/40/18/08/569401808.db2.gz YHPNYJVOFSKLAA-MFOYZWKCSA-N 0 0 432.885 4.241 50 0 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Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NC4CCCCCC4)cc3C2=O)c1 ZINC000003296111 569444753 /nfs/dbraw/zinc/44/47/53/569444753.db2.gz IJEKVRGZBQGRQC-UHFFFAOYSA-N 0 0 448.519 4.100 50 0 IIAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003297590 569444838 /nfs/dbraw/zinc/44/48/38/569444838.db2.gz YEZBCJFZUBQNEB-UHFFFAOYSA-N 0 0 437.201 4.276 50 0 IIAARN Cc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4ccccc4F)C3=O)coc2c1 ZINC000003309513 569445342 /nfs/dbraw/zinc/44/53/42/569445342.db2.gz IQICCQDLEFBTBH-JAIQZWGSSA-N 0 0 438.480 4.276 50 0 IIAARN CCOC(=O)CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccc(F)cc1 ZINC000058029711 569445469 /nfs/dbraw/zinc/44/54/69/569445469.db2.gz FUHZKDIFVFDUFV-UHFFFAOYSA-N 0 0 446.482 4.467 50 0 IIAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)NCc1ccccc1 ZINC000003314033 569445640 /nfs/dbraw/zinc/44/56/40/569445640.db2.gz NNWVEOSECSSGJJ-UHFFFAOYSA-N 0 0 435.936 4.448 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1C[C@H]1CCCO1 ZINC000003336887 569446665 /nfs/dbraw/zinc/44/66/65/569446665.db2.gz GUHNWGFLXLYHNZ-CQSZACIVSA-N 0 0 425.312 4.213 50 0 IIAARN Cc1cc2nn(CN(C)CC(=O)Nc3ccc(F)c(F)c3F)c(=S)n2c2ccccc12 ZINC000003339205 569446741 /nfs/dbraw/zinc/44/67/41/569446741.db2.gz GLHXLQIOIXCMLS-UHFFFAOYSA-N 0 0 445.470 4.272 50 0 IIAARN Cc1sc2nc(Sc3nnnn3-c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000003339802 569446758 /nfs/dbraw/zinc/44/67/58/569446758.db2.gz HBGYSSXUAGOETP-UHFFFAOYSA-N 0 0 432.534 4.191 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1Br ZINC000003361111 569447957 /nfs/dbraw/zinc/44/79/57/569447957.db2.gz IFZURSLYERYBOZ-SNVBAGLBSA-N 0 0 431.149 4.352 50 0 IIAARN O=C(CNC(=O)C1CCCCC1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000003368880 569448267 /nfs/dbraw/zinc/44/82/67/569448267.db2.gz ZXMBDJVYEBROAT-DEOSSOPVSA-N 0 0 427.472 4.173 50 0 IIAARN O=C(NCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003369255 569448268 /nfs/dbraw/zinc/44/82/68/569448268.db2.gz HXNZIXIGWGTIKK-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN 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569449304 /nfs/dbraw/zinc/44/93/04/569449304.db2.gz AJVJYLKYXMOTHA-GOSISDBHSA-N 0 0 442.485 4.462 50 0 IIAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000003401985 569449812 /nfs/dbraw/zinc/44/98/12/569449812.db2.gz FLTFDJWPELOLPE-QFIPXVFZSA-N 0 0 443.576 4.022 50 0 IIAARN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1)c1cccnc1 ZINC000058178728 569449828 /nfs/dbraw/zinc/44/98/28/569449828.db2.gz ZZSZPYVATZMWPJ-UHFFFAOYSA-N 0 0 448.910 4.476 50 0 IIAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000003412151 569450087 /nfs/dbraw/zinc/45/00/87/569450087.db2.gz OLDZEFJXWCWKCS-UHFFFAOYSA-N 0 0 447.535 4.335 50 0 IIAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003416421 569450242 /nfs/dbraw/zinc/45/02/42/569450242.db2.gz PZNNSYIASWVYMV-UHFFFAOYSA-N 0 0 438.336 4.081 50 0 IIAARN CC(=O)c1cc(Br)cc(Br)c1OCC(=O)N1CCC[C@H](C)C1 ZINC000003417476 569450256 /nfs/dbraw/zinc/45/02/56/569450256.db2.gz BXOFCDBHIOKYKY-JTQLQIEISA-N 0 0 433.140 4.052 50 0 IIAARN 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IIAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000003530230 569453357 /nfs/dbraw/zinc/45/33/57/569453357.db2.gz WKDPFYMQQUBFIG-UHFFFAOYSA-N 0 0 447.535 4.284 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)NC1CCCC1 ZINC000003563456 569454107 /nfs/dbraw/zinc/45/41/07/569454107.db2.gz ZZQBAOPFHGIICX-UHFFFAOYSA-N 0 0 431.920 4.329 50 0 IIAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl ZINC000003598009 569454764 /nfs/dbraw/zinc/45/47/64/569454764.db2.gz MTSQFAPXSVPFCV-UHFFFAOYSA-N 0 0 439.320 4.342 50 0 IIAARN CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657541 569455780 /nfs/dbraw/zinc/45/57/80/569455780.db2.gz VSRHOCJZRKDPLT-XZOQPEGZSA-N 0 0 426.532 4.401 50 0 IIAARN O=c1c(Cl)c(NC[C@H](O)c2ccc(Cl)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058648680 569456680 /nfs/dbraw/zinc/45/66/80/569456680.db2.gz CZMBDDLDOADLHU-AWEZNQCLSA-N 0 0 445.228 4.099 50 0 IIAARN O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000031722842 569457112 /nfs/dbraw/zinc/45/71/12/569457112.db2.gz JWYOMAWOLSQZEW-UHFFFAOYSA-N 0 0 433.473 4.223 50 0 IIAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000031738372 569457197 /nfs/dbraw/zinc/45/71/97/569457197.db2.gz VSSUZFNEJHCJAK-MRXNPFEDSA-N 0 0 446.334 4.295 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(Cl)ccc2O)C12CCCC2 ZINC000031812516 569457795 /nfs/dbraw/zinc/45/77/95/569457795.db2.gz HFFGPXPJPRXTBT-FQEVSTJZSA-N 0 0 428.916 4.183 50 0 IIAARN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)c(OC)c1 ZINC000004064763 569458538 /nfs/dbraw/zinc/45/85/38/569458538.db2.gz MLXKFNWZFUGHFM-PBXXJUDPSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000004090903 569458945 /nfs/dbraw/zinc/45/89/45/569458945.db2.gz RTBPPPCVQQRIPQ-UHFFFAOYSA-N 0 0 449.532 4.391 50 0 IIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2cc(Br)ccc2F)nn1 ZINC000032088183 569459492 /nfs/dbraw/zinc/45/94/92/569459492.db2.gz ZYROJIIHDLHOAB-LBPRGKRZSA-N 0 0 432.253 4.005 50 0 IIAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000032093961 569459756 /nfs/dbraw/zinc/45/97/56/569459756.db2.gz QARYMNOGUJMJGG-UHFFFAOYSA-N 0 0 435.436 4.177 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(Cl)cc2)C12CCCC2 ZINC000032094179 569459758 /nfs/dbraw/zinc/45/97/58/569459758.db2.gz SLDJURHFRANFFK-OAQYLSRUSA-N 0 0 426.944 4.155 50 0 IIAARN COc1ccc(CC(=O)Nc2nc(C)c(-c3nc(-c4ccc(OC)cc4)no3)s2)cc1 ZINC000032101803 569460142 /nfs/dbraw/zinc/46/01/42/569460142.db2.gz VIILHVQUVVQNKP-UHFFFAOYSA-N 0 0 436.493 4.367 50 0 IIAARN CCCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183286 569460749 /nfs/dbraw/zinc/46/07/49/569460749.db2.gz GRSNFPGJGLMTGC-JOCHJYFZSA-N 0 0 429.582 4.428 50 0 IIAARN COc1cc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc(OC)c1OC ZINC000059382432 569461092 /nfs/dbraw/zinc/46/10/92/569461092.db2.gz XIXNUYLJPKSGIS-YBFXNURJSA-N 0 0 428.510 4.435 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032491443 569461851 /nfs/dbraw/zinc/46/18/51/569461851.db2.gz BIRZODWUCUIQDV-MRXNPFEDSA-N 0 0 432.517 4.172 50 0 IIAARN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NCc1nnc2ccccn21 ZINC000032524042 569461934 /nfs/dbraw/zinc/46/19/34/569461934.db2.gz JUSUBWVZFWRGIN-UHFFFAOYSA-N 0 0 431.546 4.440 50 0 IIAARN COCCNC(=O)c1c2c(sc1NC(=O)CCc1c[nH]c3ccccc13)CCCC2 ZINC000007989753 569462075 /nfs/dbraw/zinc/46/20/75/569462075.db2.gz OUWOQKVDOAFJBK-UHFFFAOYSA-N 0 0 425.554 4.056 50 0 IIAARN COc1cccc(-c2cc(C(=O)Nc3cccc(-c4ccc(N5CCCC5)nn4)c3)n[nH]2)c1 ZINC000038486333 569462747 /nfs/dbraw/zinc/46/27/47/569462747.db2.gz VXOMJGANBWTIGK-UHFFFAOYSA-N 0 0 440.507 4.395 50 0 IIAARN O=C(NCc1cc(F)cc(F)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000038487525 569462896 /nfs/dbraw/zinc/46/28/96/569462896.db2.gz HRJKNKNPBUMHHG-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN Cc1cccc(-c2noc(Cn3c4ccccc4c(=O)n(-c4cc(C)cc(C)c4)c3=O)n2)c1 ZINC000038487295 569462910 /nfs/dbraw/zinc/46/29/10/569462910.db2.gz RSUMGIRPNQMWAU-UHFFFAOYSA-N 0 0 438.487 4.176 50 0 IIAARN Cc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(Cc2ccc(Cl)cc2)c3=O)n1 ZINC000038487742 569462929 /nfs/dbraw/zinc/46/29/29/569462929.db2.gz QSTJWTQJWCSDSH-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)c1OC ZINC000038546168 569463472 /nfs/dbraw/zinc/46/34/72/569463472.db2.gz PRXJHFMVSUWBNS-FQEVSTJZSA-N 0 0 442.537 4.341 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208499 569464725 /nfs/dbraw/zinc/46/47/25/569464725.db2.gz ZXZKSKBKUDHWQX-UHFFFAOYSA-N 0 0 437.503 4.221 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cccc(Br)c3)n(C(C)C)c(=O)c2[nH]1 ZINC000067236037 569465373 /nfs/dbraw/zinc/46/53/73/569465373.db2.gz KPZQQJANLIDLIN-UHFFFAOYSA-N 0 0 435.347 4.107 50 0 IIAARN Cc1cc2nc(SCC(=O)N(C)C3CCCCC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237412 569465535 /nfs/dbraw/zinc/46/55/35/569465535.db2.gz WBLQKFMDZNPGBD-UHFFFAOYSA-N 0 0 428.533 4.045 50 0 IIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc(F)cc1Cl ZINC000067238574 569465628 /nfs/dbraw/zinc/46/56/28/569465628.db2.gz DPYDHUDLTIAKFR-UHFFFAOYSA-N 0 0 436.940 4.034 50 0 IIAARN Nc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1Cc1cccc(Cl)c1 ZINC000067240111 569465684 /nfs/dbraw/zinc/46/56/84/569465684.db2.gz XUPUMQKOVNIUMV-UHFFFAOYSA-N 0 0 430.217 4.487 50 0 IIAARN CCN(c1ccsc1C(=O)N[C@H]1CCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000067245667 569465939 /nfs/dbraw/zinc/46/59/39/569465939.db2.gz XQXVZAWVSVDZTB-IBGZPJMESA-N 0 0 426.563 4.381 50 0 IIAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc3c(c2)OCO3)c1 ZINC000067258628 569466155 /nfs/dbraw/zinc/46/61/55/569466155.db2.gz BKSAADHXPGCJGS-UHFFFAOYSA-N 0 0 448.500 4.424 50 0 IIAARN CCOc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000067261703 569466565 /nfs/dbraw/zinc/46/65/65/569466565.db2.gz BOEHKGQHZVCIFL-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN O=C(CSc1ccc(F)cc1)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000038679153 569466642 /nfs/dbraw/zinc/46/66/42/569466642.db2.gz CLRFJJUCEKCTJO-UHFFFAOYSA-N 0 0 427.545 4.005 50 0 IIAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000067292819 569467713 /nfs/dbraw/zinc/46/77/13/569467713.db2.gz DHNMPVQYGLVLNI-LTHSRMNQSA-N 0 0 442.899 4.245 50 0 IIAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)NC[C@@H]1CCCO1 ZINC000067294139 569467864 /nfs/dbraw/zinc/46/78/64/569467864.db2.gz DQRJBISTBSLZQP-BTAOAOQOSA-N 0 0 442.899 4.245 50 0 IIAARN COc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1Cl ZINC000067319938 569468556 /nfs/dbraw/zinc/46/85/56/569468556.db2.gz DUFCSTJIEQGPGP-UHFFFAOYSA-N 0 0 448.976 4.185 50 0 IIAARN CC[C@H](C)n1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccsc2c1=O ZINC000067335156 569468815 /nfs/dbraw/zinc/46/88/15/569468815.db2.gz VMNLRNMMUMFRPE-LBPRGKRZSA-N 0 0 433.555 4.177 50 0 IIAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc3ccccc32)Oc2ccc(Cl)cc21 ZINC000038834098 569469245 /nfs/dbraw/zinc/46/92/45/569469245.db2.gz VGFNJCNGIIQZNA-HXUWFJFHSA-N 0 0 430.913 4.049 50 0 IIAARN Cc1cc(C)n2nc(S[C@H](C)c3nc(=O)c4c5c(sc4[nH]3)C[C@H](C)CC5)nc2n1 ZINC000008621861 569469446 /nfs/dbraw/zinc/46/94/46/569469446.db2.gz VWSFXYHPIHFAHI-BXKDBHETSA-N 0 0 426.571 4.017 50 0 IIAARN C[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008662346 569469881 /nfs/dbraw/zinc/46/98/81/569469881.db2.gz RQNLFEOGMSXNEA-KRWDZBQOSA-N 0 0 428.941 4.413 50 0 IIAARN CC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2Cl)nc1-c1ccccc1 ZINC000008705060 569470328 /nfs/dbraw/zinc/47/03/28/569470328.db2.gz VNPBZMLFRMMGRT-UHFFFAOYSA-N 0 0 427.913 4.425 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000008709251 569470751 /nfs/dbraw/zinc/47/07/51/569470751.db2.gz XSFVXURUCKKCTA-OAHLLOKOSA-N 0 0 430.555 4.006 50 0 IIAARN Cc1ccccc1-n1c(SCCCC(=O)c2cccs2)nnc1N1CCOCC1 ZINC000008710377 569470921 /nfs/dbraw/zinc/47/09/21/569470921.db2.gz WHTXBQBHUJUFDO-UHFFFAOYSA-N 0 0 428.583 4.229 50 0 IIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000008720151 569471513 /nfs/dbraw/zinc/47/15/13/569471513.db2.gz XODZHKJFZUNAMA-ZHRRBRCNSA-N 0 0 443.569 4.019 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc4C3)nnc2N2CCCCC2)cc1 ZINC000008720461 569471552 /nfs/dbraw/zinc/47/15/52/569471552.db2.gz IJEZCBOYSZWMIB-UHFFFAOYSA-N 0 0 447.608 4.243 50 0 IIAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000008722028 569471748 /nfs/dbraw/zinc/47/17/48/569471748.db2.gz JDIRHHFXPONPFY-UHFFFAOYSA-N 0 0 428.941 4.212 50 0 IIAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)ccc1O ZINC000008722398 569471811 /nfs/dbraw/zinc/47/18/11/569471811.db2.gz ONNRBZCDOPGBJI-JOCHJYFZSA-N 0 0 435.549 4.265 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NCCc2cccs2)nc2ccccc2c1=O ZINC000008724664 569472007 /nfs/dbraw/zinc/47/20/07/569472007.db2.gz ADFDZBCFUPVIOX-UHFFFAOYSA-N 0 0 435.574 4.207 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCCC1=CCCCC1 ZINC000008748547 569473237 /nfs/dbraw/zinc/47/32/37/569473237.db2.gz AZRJXBMWDRTPOL-PKOBYXMFSA-N 0 0 441.597 4.063 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCCC1=CCCCC1 ZINC000008748548 569473251 /nfs/dbraw/zinc/47/32/51/569473251.db2.gz AZRJXBMWDRTPOL-IEBWSBKVSA-N 0 0 441.597 4.063 50 0 IIAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000008756576 569474060 /nfs/dbraw/zinc/47/40/60/569474060.db2.gz KSEBPSXGOYXPJW-OAQYLSRUSA-N 0 0 435.524 4.065 50 0 IIAARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Br)c2)c1 ZINC000008767136 569474867 /nfs/dbraw/zinc/47/48/67/569474867.db2.gz JNLHLCRQTWDFIK-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C12CC3CC(CC(C3)C1)C2 ZINC000008777382 569475402 /nfs/dbraw/zinc/47/54/02/569475402.db2.gz YDNIIZDYBPYBQR-VTKOLAJRSA-N 0 0 449.572 4.399 50 0 IIAARN FC(F)(F)COCn1cc(NC(=S)Nc2cnn(Cc3cccc(Cl)c3)c2)cn1 ZINC000008782441 569475831 /nfs/dbraw/zinc/47/58/31/569475831.db2.gz UHNGBGGLNCMNNW-UHFFFAOYSA-N 0 0 444.870 4.127 50 0 IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCc4cccnc4)ccc23)cc1 ZINC000008789987 569476011 /nfs/dbraw/zinc/47/60/11/569476011.db2.gz KNJLNSSHXSDQIX-KRWDZBQOSA-N 0 0 444.487 4.256 50 0 biogenic IIAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC3CCCC3)C(=O)N21 ZINC000008789989 569476014 /nfs/dbraw/zinc/47/60/14/569476014.db2.gz HPOJRIWDVHTBHH-QRQCRPRQSA-N 0 0 442.519 4.295 50 0 biogenic IIAARN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791299 569476207 /nfs/dbraw/zinc/47/62/07/569476207.db2.gz XADZWCNKQGOSMJ-UPVQGACJSA-N 0 0 425.463 4.093 50 0 biogenic IIAARN Cc1cc2oc(=O)c(CC(=O)NCCc3c[nH]cn3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791953 569476327 /nfs/dbraw/zinc/47/63/27/569476327.db2.gz JXAMQXONJLEFQF-UHFFFAOYSA-N 0 0 441.487 4.448 50 0 biogenic IIAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000008817612 569476898 /nfs/dbraw/zinc/47/68/98/569476898.db2.gz RJAXWQXNUFMWAA-CYBMUJFWSA-N 0 0 444.578 4.261 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)NCc1ccco1 ZINC000008828676 569477851 /nfs/dbraw/zinc/47/78/51/569477851.db2.gz HKTRZOSFFXWKJK-UHFFFAOYSA-N 0 0 448.479 4.008 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C ZINC000008840646 569478335 /nfs/dbraw/zinc/47/83/35/569478335.db2.gz DTQONLOCLKCXRS-UHFFFAOYSA-N 0 0 436.533 4.284 50 0 IIAARN O=S(=O)(c1nc(-c2ccccc2F)oc1NCc1cccnc1)c1ccc(F)cc1 ZINC000008844652 569478641 /nfs/dbraw/zinc/47/86/41/569478641.db2.gz BTRZYUGBCZNORC-UHFFFAOYSA-N 0 0 427.432 4.460 50 0 IIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000008844573 569478659 /nfs/dbraw/zinc/47/86/59/569478659.db2.gz IEXUQLAFSVMGMC-QZTJIDSGSA-N 0 0 426.538 4.405 50 0 IIAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)c1 ZINC000008862186 569480177 /nfs/dbraw/zinc/48/01/77/569480177.db2.gz WTIGBTRTCVIBHA-UHFFFAOYSA-N 0 0 441.578 4.084 50 0 IIAARN COc1cc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008869882 569480470 /nfs/dbraw/zinc/48/04/70/569480470.db2.gz IORWNQUKMIGZBK-QFIPXVFZSA-N 0 0 431.444 4.462 50 0 IIAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000008876792 569481159 /nfs/dbraw/zinc/48/11/59/569481159.db2.gz RQJDIWJYGYZQIB-UHFFFAOYSA-N 0 0 439.519 4.262 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)cc1)[C@]31c2ccccc2NC1=O ZINC000008877623 569481262 /nfs/dbraw/zinc/48/12/62/569481262.db2.gz ABZYUACNUMIIIB-HHHXNRCGSA-N 0 0 437.499 4.379 50 0 biogenic IIAARN Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2nc3ccccc3s2)n1 ZINC000039383725 569481563 /nfs/dbraw/zinc/48/15/63/569481563.db2.gz NVQDIXVNWWKDSV-UHFFFAOYSA-N 0 0 433.541 4.125 50 0 IIAARN C[C@@H]1CN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000039404178 569481575 /nfs/dbraw/zinc/48/15/75/569481575.db2.gz VUGVVZVEEYRGLD-OKILXGFUSA-N 0 0 434.464 4.066 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000039843988 569481864 /nfs/dbraw/zinc/48/18/64/569481864.db2.gz WCDVJHYJOMWEOM-HOTGVXAUSA-N 0 0 430.501 4.236 50 0 IIAARN C[C@@H]1CN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)C[C@@H](C)O1 ZINC000039845468 569481965 /nfs/dbraw/zinc/48/19/65/569481965.db2.gz PXEUKCDUGKSFTP-HUUCEWRRSA-N 0 0 432.929 4.441 50 0 IIAARN C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000040002668 569482472 /nfs/dbraw/zinc/48/24/72/569482472.db2.gz UYXRSFSWFWGVJB-WDEREUQCSA-N 0 0 442.397 4.448 50 0 IIAARN Cc1nn(-c2ccc(C)cc2C)c(OC(=O)c2ccco2)c1S(=O)(=O)c1ccccc1 ZINC000008884085 569483112 /nfs/dbraw/zinc/48/31/12/569483112.db2.gz BMAMQQZPDONMLE-UHFFFAOYSA-N 0 0 436.489 4.443 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000040039816 569483366 /nfs/dbraw/zinc/48/33/66/569483366.db2.gz QEJGOFWLBMYHOQ-XEZPLFJOSA-N 0 0 436.927 4.429 50 0 IIAARN CCN(CC)[C@@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000040043243 569483637 /nfs/dbraw/zinc/48/36/37/569483637.db2.gz UTWZKDFKGQSTTF-QFIPXVFZSA-N 0 0 440.565 4.066 50 0 IIAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000040046962 569483654 /nfs/dbraw/zinc/48/36/54/569483654.db2.gz BKINOSLEJFXZKG-UHFFFAOYSA-N 0 0 446.532 4.243 50 0 IIAARN Cc1cc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000008895696 569483767 /nfs/dbraw/zinc/48/37/67/569483767.db2.gz GJJGQRTVDOLZAX-IBGZPJMESA-N 0 0 447.564 4.388 50 0 IIAARN O=S(=O)(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000008899123 569484038 /nfs/dbraw/zinc/48/40/38/569484038.db2.gz HLZJJNYMLZBNKH-FQEVSTJZSA-N 0 0 434.517 4.050 50 0 IIAARN COC(=O)c1c(=O)n(CC(=O)OC2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008899193 569484066 /nfs/dbraw/zinc/48/40/66/569484066.db2.gz JQTYOHYIYFQIOZ-UHFFFAOYSA-N 0 0 446.503 4.240 50 0 IIAARN CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000040050268 569484161 /nfs/dbraw/zinc/48/41/61/569484161.db2.gz GCYPILATZQKBHX-UHFFFAOYSA-N 0 0 431.517 4.254 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1OC(F)F)c1ccccc1 ZINC000040051849 569484483 /nfs/dbraw/zinc/48/44/83/569484483.db2.gz OWQYNPGYOQZTOU-FQEVSTJZSA-N 0 0 425.431 4.373 50 0 IIAARN O=C(COC(=O)Cc1ccc(OC(F)F)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000040057341 569484586 /nfs/dbraw/zinc/48/45/86/569484586.db2.gz MNOFGDKHDCCTGU-UHFFFAOYSA-N 0 0 441.434 4.076 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)s1 ZINC000008911588 569484929 /nfs/dbraw/zinc/48/49/29/569484929.db2.gz OWNHVPVQIWIVMV-UHFFFAOYSA-N 0 0 429.977 4.132 50 0 IIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000040070940 569485702 /nfs/dbraw/zinc/48/57/02/569485702.db2.gz FFVJPUVHEQDPIN-UHFFFAOYSA-N 0 0 434.486 4.471 50 0 IIAARN Cc1cc2occ(CC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)c2c(C)c1 ZINC000008916683 569485802 /nfs/dbraw/zinc/48/58/02/569485802.db2.gz RQAIGMYIEXOHDF-FQEVSTJZSA-N 0 0 445.968 4.461 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000008917456 569486035 /nfs/dbraw/zinc/48/60/35/569486035.db2.gz QAAVHRJDJQHUGS-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000040074376 569486232 /nfs/dbraw/zinc/48/62/32/569486232.db2.gz FPQKIDLUDWBZLU-QHCPKHFHSA-N 0 0 426.476 4.237 50 0 IIAARN C[C@@]12c3[nH]c4ccc(F)cc4c3CCN1C(=O)CN(Cc1ccc(Cl)cc1Cl)C2=O ZINC000008918472 569486299 /nfs/dbraw/zinc/48/62/99/569486299.db2.gz YFSYPRARVOJRHT-QFIPXVFZSA-N 0 0 446.309 4.256 50 0 biogenic IIAARN CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000008924569 569487207 /nfs/dbraw/zinc/48/72/07/569487207.db2.gz XSZSKSDXWYIRSB-GJZGRUSLSA-N 0 0 428.533 4.471 50 0 IIAARN Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@H](c3ccccc3)CC2=O)c1C ZINC000008931825 569487606 /nfs/dbraw/zinc/48/76/06/569487606.db2.gz RAJTZFNBMDTAKX-QHCPKHFHSA-N 0 0 448.544 4.194 50 0 IIAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000008932483 569487697 /nfs/dbraw/zinc/48/76/97/569487697.db2.gz XJJCTRKZVKGUPD-UHFFFAOYSA-N 0 0 440.515 4.340 50 0 IIAARN CCN(CC)C(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933246 569487805 /nfs/dbraw/zinc/48/78/05/569487805.db2.gz HOMKEGLIFXSFDR-UHFFFAOYSA-N 0 0 430.552 4.193 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Cl)c2Cl)c1 ZINC000008937702 569488140 /nfs/dbraw/zinc/48/81/40/569488140.db2.gz MSDWFYKLUIRMGR-GOSISDBHSA-N 0 0 436.295 4.277 50 0 IIAARN O=C(CC1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000040104329 569488178 /nfs/dbraw/zinc/48/81/78/569488178.db2.gz SBRIABLWNXPZQO-UHFFFAOYSA-N 0 0 427.545 4.375 50 0 IIAARN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000040113043 569488983 /nfs/dbraw/zinc/48/89/83/569488983.db2.gz KBXBTOFLRBQFSJ-KSFYIVLOSA-N 0 0 425.960 4.252 50 0 IIAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000008955671 569490146 /nfs/dbraw/zinc/49/01/46/569490146.db2.gz WNZPEYYQWOLOGI-UBFBPUDLSA-N 0 0 442.902 4.051 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(=O)NC(C)C)C1 ZINC000040130108 569490226 /nfs/dbraw/zinc/49/02/26/569490226.db2.gz LXVWAHYISDSTLC-LJQANCHMSA-N 0 0 429.586 4.116 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC ZINC000008959805 569490350 /nfs/dbraw/zinc/49/03/50/569490350.db2.gz CYYHSYDHQXOSHL-UHFFFAOYSA-N 0 0 440.540 4.293 50 0 IIAARN CC(C)CN1c2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2OCC(C)(C)C1=O ZINC000008959779 569490359 /nfs/dbraw/zinc/49/03/59/569490359.db2.gz MBKPIXIEUWYNNE-UHFFFAOYSA-N 0 0 434.492 4.453 50 0 IIAARN CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000040132511 569490397 /nfs/dbraw/zinc/49/03/97/569490397.db2.gz GBGQPJYJTDYMBS-MRXNPFEDSA-N 0 0 428.558 4.113 50 0 IIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(-c4nncn4C)c3)c12 ZINC000040133590 569490446 /nfs/dbraw/zinc/49/04/46/569490446.db2.gz VJHOAZMVSFRDMW-UHFFFAOYSA-N 0 0 429.528 4.420 50 0 IIAARN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000040139125 569490802 /nfs/dbraw/zinc/49/08/02/569490802.db2.gz KMRIUQLGFXVJOF-NRFANRHFSA-N 0 0 432.520 4.117 50 0 IIAARN C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000040145886 569492246 /nfs/dbraw/zinc/49/22/46/569492246.db2.gz VPMHTNDJFCGPDO-KRWDZBQOSA-N 0 0 440.565 4.384 50 0 IIAARN COc1ccc(-c2noc(CN(Cc3ccccc3)Cc3cccc(C(N)=O)c3)n2)cc1 ZINC000040149548 569492624 /nfs/dbraw/zinc/49/26/24/569492624.db2.gz BGWCYJHNDIURTE-UHFFFAOYSA-N 0 0 428.492 4.047 50 0 IIAARN CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008971033 569492693 /nfs/dbraw/zinc/49/26/93/569492693.db2.gz HHNSVAPYDBRCDE-NRFANRHFSA-N 0 0 432.505 4.243 50 0 IIAARN Cc1c(O[C@@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008971654 569492724 /nfs/dbraw/zinc/49/27/24/569492724.db2.gz ZWRHLSBPXJAOOB-FDDCHVKYSA-N 0 0 443.499 4.386 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H](O)c1ccccc1)oc1c3CCCC1 ZINC000008971676 569492748 /nfs/dbraw/zinc/49/27/48/569492748.db2.gz MWJJFLBBDAMOBG-NRFANRHFSA-N 0 0 431.488 4.119 50 0 biogenic IIAARN O=C(Nc1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)Nc1ccccc1 ZINC000008979888 569493073 /nfs/dbraw/zinc/49/30/73/569493073.db2.gz IBEAXQSVAZZZAT-UHFFFAOYSA-N 0 0 441.944 4.403 50 0 IIAARN O=C(Nc1ccccc1CN1CCc2ccccc21)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000040150644 569493197 /nfs/dbraw/zinc/49/31/97/569493197.db2.gz QADQACHHOQAOEI-DEOSSOPVSA-N 0 0 439.559 4.279 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000040150767 569493207 /nfs/dbraw/zinc/49/32/07/569493207.db2.gz MVKUKNGYDOXELV-IBGZPJMESA-N 0 0 430.508 4.198 50 0 IIAARN CCS(=O)(=O)N1CCC(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)CC1 ZINC000040151931 569493327 /nfs/dbraw/zinc/49/33/27/569493327.db2.gz RIPUYYAJHMCYNW-DEOSSOPVSA-N 0 0 440.609 4.073 50 0 IIAARN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000040152689 569493494 /nfs/dbraw/zinc/49/34/94/569493494.db2.gz NLUBYHONZLYQLJ-UHFFFAOYSA-N 0 0 449.561 4.412 50 0 IIAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(C5CC5)no4)c3)CC2=O)cc1 ZINC000040153010 569493549 /nfs/dbraw/zinc/49/35/49/569493549.db2.gz UMXKIQFTJHFZNR-KRWDZBQOSA-N 0 0 432.480 4.004 50 0 IIAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000008989888 569495018 /nfs/dbraw/zinc/49/50/18/569495018.db2.gz KWTVZVHIEDZXNN-MSVKLTOBSA-N 0 0 437.495 4.225 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000009010875 569496486 /nfs/dbraw/zinc/49/64/86/569496486.db2.gz BUGUUDVYWWMCED-IRXDYDNUSA-N 0 0 445.544 4.496 50 0 IIAARN C[C@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009031697 569497167 /nfs/dbraw/zinc/49/71/67/569497167.db2.gz WXKGDKSEVIRYPK-KRWDZBQOSA-N 0 0 433.460 4.221 50 0 IIAARN COc1cc(NC(=O)CCn2ccc3c2cccc3Br)cc(OC)c1OC ZINC000040268009 569497506 /nfs/dbraw/zinc/49/75/06/569497506.db2.gz BBJTWORHTHAMPT-UHFFFAOYSA-N 0 0 433.302 4.458 50 0 IIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000040286770 569498149 /nfs/dbraw/zinc/49/81/49/569498149.db2.gz AAINBQCLAGCHRW-LLVKDONJSA-N 0 0 428.283 4.357 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000009050091 569498577 /nfs/dbraw/zinc/49/85/77/569498577.db2.gz FBPWNGZADQTOTC-GFCCVEGCSA-N 0 0 430.555 4.478 50 0 IIAARN Cc1cccc(OCc2nnc(SCC(=O)N(C)Cc3nc4ccccc4s3)o2)c1 ZINC000009051602 569498724 /nfs/dbraw/zinc/49/87/24/569498724.db2.gz YKRICGGHVSPHJV-UHFFFAOYSA-N 0 0 440.550 4.317 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccco1 ZINC000009052664 569498765 /nfs/dbraw/zinc/49/87/65/569498765.db2.gz PTPHKUKIVIJBOA-LJQANCHMSA-N 0 0 432.295 4.111 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)c1C ZINC000009052998 569498797 /nfs/dbraw/zinc/49/87/97/569498797.db2.gz NGQQNLCARHWGLX-HXUWFJFHSA-N 0 0 430.618 4.115 50 0 IIAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)s1 ZINC000009056508 569499009 /nfs/dbraw/zinc/49/90/09/569499009.db2.gz HHTPLTVMMNJHFJ-UHFFFAOYSA-N 0 0 427.551 4.155 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009056869 569499155 /nfs/dbraw/zinc/49/91/55/569499155.db2.gz UFCCNGHMHPIZBE-ZDUSSCGKSA-N 0 0 426.523 4.438 50 0 IIAARN CN(CCc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355848 569499849 /nfs/dbraw/zinc/49/98/49/569499849.db2.gz DNSANAWVPRRWSG-UHFFFAOYSA-N 0 0 435.336 4.412 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245240721 569500714 /nfs/dbraw/zinc/50/07/14/569500714.db2.gz RYVFZFYHBHFVPC-QKSGUBBWSA-N 0 0 449.551 4.353 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)NCc2cccs2)cc1 ZINC000009100911 569501704 /nfs/dbraw/zinc/50/17/04/569501704.db2.gz IYVUKABZHOYVKQ-INIZCTEOSA-N 0 0 427.551 4.202 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000009106830 569501814 /nfs/dbraw/zinc/50/18/14/569501814.db2.gz OHANOTMBUIKUCH-HXUWFJFHSA-N 0 0 449.619 4.365 50 0 IIAARN O=C(NCc1cccc(F)c1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009115628 569502804 /nfs/dbraw/zinc/50/28/04/569502804.db2.gz IUXMPKCIIXGRQN-AREMUKBSSA-N 0 0 436.302 4.419 50 0 IIAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1C(=O)C1CC1 ZINC000009117037 569503057 /nfs/dbraw/zinc/50/30/57/569503057.db2.gz SCWZUGSNZGMGGI-SFHVURJKSA-N 0 0 438.593 4.018 50 0 IIAARN CCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009119124 569503455 /nfs/dbraw/zinc/50/34/55/569503455.db2.gz BFSTWWLPDABOIW-UHFFFAOYSA-N 0 0 428.529 4.210 50 0 IIAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009125281 569504595 /nfs/dbraw/zinc/50/45/95/569504595.db2.gz LQHWGFHYBIHMHX-SANMLTNESA-N 0 0 441.487 4.201 50 0 IIAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)CCc2c[nH]c3ccccc23)c1C ZINC000009125565 569504672 /nfs/dbraw/zinc/50/46/72/569504672.db2.gz GADJVQXYCGJUKD-NRFANRHFSA-N 0 0 433.552 4.364 50 0 IIAARN CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)Nc1ccc(OC)cc1 ZINC000009125756 569504683 /nfs/dbraw/zinc/50/46/83/569504683.db2.gz FQWNYUXKNYLTTO-UHFFFAOYSA-N 0 0 441.534 4.477 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(C)n1-c1nccs1 ZINC000009125755 569504726 /nfs/dbraw/zinc/50/47/26/569504726.db2.gz LKYQAWXTZWAGSM-UHFFFAOYSA-N 0 0 448.548 4.452 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl ZINC000009127784 569505299 /nfs/dbraw/zinc/50/52/99/569505299.db2.gz FYAZAVTTZOWCAR-UHFFFAOYSA-N 0 0 433.295 4.295 50 0 IIAARN CSc1nn(-c2ccc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)cc2)c(=S)s1 ZINC000009128116 569505342 /nfs/dbraw/zinc/50/53/42/569505342.db2.gz AUOXEDIOEQLPSN-IUODEOHRSA-N 0 0 437.612 4.237 50 0 IIAARN COc1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)cc1OC ZINC000040451020 569506437 /nfs/dbraw/zinc/50/64/37/569506437.db2.gz MIECPKLDCOUINS-UHFFFAOYSA-N 0 0 434.315 4.480 50 0 IIAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc(OC)c1OC ZINC000040455127 569506566 /nfs/dbraw/zinc/50/65/66/569506566.db2.gz MMEJDCVRFAEYPF-MRXNPFEDSA-N 0 0 443.887 4.393 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)c(OC)c1 ZINC000009131643 569506911 /nfs/dbraw/zinc/50/69/11/569506911.db2.gz FBBWQRGIEXOTMF-OAHLLOKOSA-N 0 0 441.484 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IIAARN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1SCCCOc1ccccc1 ZINC000009586604 569549708 /nfs/dbraw/zinc/54/97/08/569549708.db2.gz BXOSVMCJVNSDHD-CQSZACIVSA-N 0 0 449.370 4.101 50 0 IIAARN COC(=O)CC1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)CC1 ZINC000070666588 569550609 /nfs/dbraw/zinc/55/06/09/569550609.db2.gz YOALPMBEIMPXPM-UHFFFAOYSA-N 0 0 439.508 4.199 50 0 biogenic IIAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000009595074 569550697 /nfs/dbraw/zinc/55/06/97/569550697.db2.gz WISAVWVOIPFZLQ-UHFFFAOYSA-N 0 0 433.596 4.331 50 0 IIAARN CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000009596319 569550845 /nfs/dbraw/zinc/55/08/45/569550845.db2.gz QLZCTIRQJFCPJX-LJQANCHMSA-N 0 0 434.492 4.165 50 0 IIAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000009602480 569551703 /nfs/dbraw/zinc/55/17/03/569551703.db2.gz CSDGVYXUOLTVNP-SJORKVTESA-N 0 0 432.542 4.089 50 0 IIAARN Clc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCCC2)c1 ZINC000009608363 569552169 /nfs/dbraw/zinc/55/21/69/569552169.db2.gz XBDWNKLTLKNTKF-UHFFFAOYSA-N 0 0 428.905 4.456 50 0 IIAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1ccccc1 ZINC000009610722 569552567 /nfs/dbraw/zinc/55/25/67/569552567.db2.gz CQCYIYSZKHNRJH-UHFFFAOYSA-N 0 0 427.456 4.408 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000009610737 569552579 /nfs/dbraw/zinc/55/25/79/569552579.db2.gz LEYSRZYOLOFSOM-UHFFFAOYSA-N 0 0 445.446 4.200 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccccc2)cc1 ZINC000009611567 569552774 /nfs/dbraw/zinc/55/27/74/569552774.db2.gz ZCAQCHNKFYPSQB-UHFFFAOYSA-N 0 0 445.548 4.130 50 0 IIAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCC(C)CC2)cc1OC ZINC000009615223 569553191 /nfs/dbraw/zinc/55/31/91/569553191.db2.gz AUCXBPMHOVIFAO-FJDUUPPCSA-N 0 0 436.552 4.486 50 0 IIAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000009634920 569554552 /nfs/dbraw/zinc/55/45/52/569554552.db2.gz LFALMRCCGOWIRB-LAUBAEHRSA-N 0 0 442.581 4.066 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3C2=O)cc1 ZINC000009635241 569554622 /nfs/dbraw/zinc/55/46/22/569554622.db2.gz NCINEKSHWIFURT-UHFFFAOYSA-N 0 0 426.432 4.015 50 0 IIAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000009636816 569554720 /nfs/dbraw/zinc/55/47/20/569554720.db2.gz ZBYPTOYPRPIUSN-QFIPXVFZSA-N 0 0 441.483 4.364 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2[C@H]1c1ccncc1 ZINC000009638157 569554941 /nfs/dbraw/zinc/55/49/41/569554941.db2.gz MTJJSBXVHPFRKG-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n32)cc1C ZINC000009641487 569555714 /nfs/dbraw/zinc/55/57/14/569555714.db2.gz CONYIYHMMADJGR-UHFFFAOYSA-N 0 0 439.928 4.086 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCN(C(=O)Nc3cccc(C)c3)CC1)nnc2C ZINC000009642416 569555839 /nfs/dbraw/zinc/55/58/39/569555839.db2.gz UDUMYHGLDPZJFT-UHFFFAOYSA-N 0 0 441.539 4.095 50 0 IIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009642563 569555864 /nfs/dbraw/zinc/55/58/64/569555864.db2.gz FPUQMUQSHVEVFC-UHFFFAOYSA-N 0 0 428.488 4.015 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(C)c(F)c1 ZINC000009642908 569555922 /nfs/dbraw/zinc/55/59/22/569555922.db2.gz CGHSYCVHMBIQTJ-UHFFFAOYSA-N 0 0 440.496 4.146 50 0 IIAARN COc1cccc(-c2nc(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)cs2)c1 ZINC000009644412 569556027 /nfs/dbraw/zinc/55/60/27/569556027.db2.gz DVNVFLAZKGWDEX-UHFFFAOYSA-N 0 0 437.473 4.356 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl ZINC000009645558 569556123 /nfs/dbraw/zinc/55/61/23/569556123.db2.gz SYQTZICFHVGRBG-UHFFFAOYSA-N 0 0 431.297 4.039 50 0 IIAARN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000009660324 569556740 /nfs/dbraw/zinc/55/67/40/569556740.db2.gz NSSOBCDVHJTDHR-UHFFFAOYSA-N 0 0 439.515 4.392 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661136 569556964 /nfs/dbraw/zinc/55/69/64/569556964.db2.gz KOCZZFJUAONIJK-UHFFFAOYSA-N 0 0 447.861 4.354 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000009661100 569556967 /nfs/dbraw/zinc/55/69/67/569556967.db2.gz UYQJPBNOFPHWLQ-HXUWFJFHSA-N 0 0 437.507 4.442 50 0 IIAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000009661450 569557055 /nfs/dbraw/zinc/55/70/55/569557055.db2.gz HZDPDSBHQCSDCF-UHFFFAOYSA-N 0 0 442.397 4.310 50 0 IIAARN O=C(Oc1ccc(Br)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009665525 569557571 /nfs/dbraw/zinc/55/75/71/569557571.db2.gz GLNUELVOZFACOF-UHFFFAOYSA-N 0 0 444.734 4.106 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000009671109 569558498 /nfs/dbraw/zinc/55/84/98/569558498.db2.gz JBLNKPNYLDPJFL-UHFFFAOYSA-N 0 0 444.578 4.065 50 0 IIAARN O=C(Nc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000009671337 569558518 /nfs/dbraw/zinc/55/85/18/569558518.db2.gz LHSUDBZPBDYKDI-SFHVURJKSA-N 0 0 432.954 4.156 50 0 IIAARN CCOc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1S(=O)(=O)N1CCCC1 ZINC000009671409 569558540 /nfs/dbraw/zinc/55/85/40/569558540.db2.gz JBYPINRLUVIFHW-OAHLLOKOSA-N 0 0 448.610 4.308 50 0 IIAARN COc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000009671495 569558587 /nfs/dbraw/zinc/55/85/87/569558587.db2.gz ADGQFXHFAWNVTE-CYBMUJFWSA-N 0 0 440.924 4.303 50 0 IIAARN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009672603 569558875 /nfs/dbraw/zinc/55/88/75/569558875.db2.gz AKMSFQDXEADFTB-LJQANCHMSA-N 0 0 437.565 4.278 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2oc1C(=O)NCc1ccccc1 ZINC000009673123 569558879 /nfs/dbraw/zinc/55/88/79/569558879.db2.gz JPAQHVPMJBXAMI-MRXNPFEDSA-N 0 0 426.538 4.092 50 0 IIAARN COCCNC(=O)CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(OC)cc1 ZINC000009674155 569559102 /nfs/dbraw/zinc/55/91/02/569559102.db2.gz AKKAIUHHLGHMIN-UHFFFAOYSA-N 0 0 431.945 4.260 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1c(-c2ccc3c(c2)OCO3)cn(-c2ccccc2)c1=O ZINC000009675825 569559313 /nfs/dbraw/zinc/55/93/13/569559313.db2.gz FGIMQCIQKKCLBF-UHFFFAOYSA-N 0 0 441.487 4.290 50 0 IIAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)ccc1Br ZINC000009676718 569559496 /nfs/dbraw/zinc/55/94/96/569559496.db2.gz YILOIFNVIJCAAM-UHFFFAOYSA-N 0 0 449.370 4.248 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1Cl)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000009678948 569559656 /nfs/dbraw/zinc/55/96/56/569559656.db2.gz VIRQCGRWMYEMRG-FQEVSTJZSA-N 0 0 447.293 4.077 50 0 IIAARN COC(=O)c1cc(N[C@H]2c3ccccc3C(=O)N2c2ccccc2C)cc(C(=O)OC)c1 ZINC000009681377 569560260 /nfs/dbraw/zinc/56/02/60/569560260.db2.gz JGOLCTJEECKDIG-JOCHJYFZSA-N 0 0 430.460 4.339 50 0 IIAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2s1 ZINC000009683985 569560498 /nfs/dbraw/zinc/56/04/98/569560498.db2.gz BUIGASJQYFYCJT-UHFFFAOYSA-N 0 0 429.567 4.422 50 0 IIAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000009684435 569560566 /nfs/dbraw/zinc/56/05/66/569560566.db2.gz IBEUJKHRSFEMRL-UHFFFAOYSA-N 0 0 446.555 4.131 50 0 IIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCCC4=CCCCC4)cc3c2=O)cc1 ZINC000009686065 569560682 /nfs/dbraw/zinc/56/06/82/569560682.db2.gz BQIOLHZWNUZSEA-UHFFFAOYSA-N 0 0 431.536 4.382 50 0 IIAARN Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)Nc1cccc(Br)c1 ZINC000009686104 569560740 /nfs/dbraw/zinc/56/07/40/569560740.db2.gz PKXNSIGJCONEGS-UHFFFAOYSA-N 0 0 449.308 4.163 50 0 IIAARN CCS(=O)(=O)c1ccc2oc(NC(=O)CCCOc3ccc(Cl)cc3C)nc2c1 ZINC000009703926 569561422 /nfs/dbraw/zinc/56/14/22/569561422.db2.gz JGRCGRIGQRCDKR-UHFFFAOYSA-N 0 0 436.917 4.381 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccs1 ZINC000009707793 569561692 /nfs/dbraw/zinc/56/16/92/569561692.db2.gz HUINLQRJLVRHSQ-UHFFFAOYSA-N 0 0 433.868 4.123 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 ZINC000009707864 569561710 /nfs/dbraw/zinc/56/17/10/569561710.db2.gz OVENCJDBLUXGSX-UHFFFAOYSA-N 0 0 433.415 4.401 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 ZINC000009708019 569561801 /nfs/dbraw/zinc/56/18/01/569561801.db2.gz UPSMXNPUVGCJAQ-UHFFFAOYSA-N 0 0 441.509 4.081 50 0 IIAARN CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000070900086 569562015 /nfs/dbraw/zinc/56/20/15/569562015.db2.gz QWTRDNDFGMLPKY-UHFFFAOYSA-N 0 0 436.581 4.391 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnnn1Cc1cccs1)c1ccccc1 ZINC000009713842 569562738 /nfs/dbraw/zinc/56/27/38/569562738.db2.gz AZHFNKMLWHXWCH-GOSISDBHSA-N 0 0 425.514 4.394 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)sc2C1 ZINC000009714772 569562861 /nfs/dbraw/zinc/56/28/61/569562861.db2.gz GFFCKPZEVFOLOO-ZDUSSCGKSA-N 0 0 445.541 4.460 50 0 IIAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 ZINC000009717129 569563282 /nfs/dbraw/zinc/56/32/82/569563282.db2.gz JSQVWRIZECHOOT-HNNXBMFYSA-N 0 0 434.569 4.418 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009717021 569563289 /nfs/dbraw/zinc/56/32/89/569563289.db2.gz XWIOQTRCSMLKKI-UHFFFAOYSA-N 0 0 437.546 4.089 50 0 IIAARN CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009721781 569563434 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/nfs/dbraw/zinc/42/98/69/522429869.db2.gz JIHAIOSXVURPBP-CQSZACIVSA-N 0 0 439.375 4.222 50 0 IIAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012917241 522445177 /nfs/dbraw/zinc/44/51/77/522445177.db2.gz CFSYACGDQCZDJZ-UHFFFAOYSA-N 0 0 449.550 4.038 50 0 IIAARN COC(=O)c1sccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037595 522447870 /nfs/dbraw/zinc/44/78/70/522447870.db2.gz OMDPAMIKOXOCPB-QGZVFWFLSA-N 0 0 434.477 4.496 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012754806 522514423 /nfs/dbraw/zinc/51/44/23/522514423.db2.gz OFMLIVOQLWWGIH-QGZVFWFLSA-N 0 0 443.975 4.012 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000013006500 522517143 /nfs/dbraw/zinc/51/71/43/522517143.db2.gz FUVHCNFIAYMTCE-AWEZNQCLSA-N 0 0 442.990 4.066 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000012739396 522518277 /nfs/dbraw/zinc/51/82/77/522518277.db2.gz FHEVUHJKBPLKEJ-UHFFFAOYSA-N 0 0 436.821 4.460 50 0 IIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000021845015 522662165 /nfs/dbraw/zinc/66/21/65/522662165.db2.gz HMWYZPIDSMGOID-YJBOKZPZSA-N 0 0 443.594 4.121 50 0 IIAARN CC[C@@H](NC(=O)CN1C(=S)N=NC1c1cccs1)c1ccc(Br)cc1 ZINC000012861509 522698326 /nfs/dbraw/zinc/69/83/26/522698326.db2.gz WEBHFKTZKUYUQI-CYBMUJFWSA-N 0 0 437.388 4.325 50 0 IIAARN CCc1nn2c(ncc3c2ccn(-c2ccccc2OC)c3=O)c1-c1ccc(OC)cc1 ZINC000020734816 522712246 /nfs/dbraw/zinc/71/22/46/522712246.db2.gz PLBJZUVGEMRWJX-UHFFFAOYSA-N 0 0 426.476 4.280 50 0 IIAARN COCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000035977117 522734177 /nfs/dbraw/zinc/73/41/77/522734177.db2.gz HEACAGVXGDKJKL-QHCPKHFHSA-N 0 0 449.551 4.435 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445651 522806037 /nfs/dbraw/zinc/80/60/37/522806037.db2.gz NMIGNXQDDHUPHZ-RBUKOAKNSA-N 0 0 427.961 4.454 50 0 IIAARN COc1cc(OC)cc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000021037962 522854291 /nfs/dbraw/zinc/85/42/91/522854291.db2.gz KQKQUFOTSULDEY-OAQYLSRUSA-N 0 0 433.439 4.412 50 0 IIAARN COCc1c(C(=O)NCCc2ccccc2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012451947 522899671 /nfs/dbraw/zinc/89/96/71/522899671.db2.gz FRGYCYMQUYXGJZ-UHFFFAOYSA-N 0 0 447.564 4.127 50 0 IIAARN CCc1noc(CSc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)n1 ZINC000012769850 522900560 /nfs/dbraw/zinc/90/05/60/522900560.db2.gz FXJLYOWJBSQLSP-UHFFFAOYSA-N 0 0 443.326 4.386 50 0 IIAARN COc1cc([C@H](CC(=O)Nc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561748 522950372 /nfs/dbraw/zinc/95/03/72/522950372.db2.gz QHZQTSWTJOMXBD-NRFANRHFSA-N 0 0 446.503 4.438 50 0 IIAARN CN(CCc1ccccn1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000022147810 522961129 /nfs/dbraw/zinc/96/11/29/522961129.db2.gz IKGLOPMGYXDTBL-HKUYNNGSSA-N 0 0 447.436 4.392 50 0 IIAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1OCC(C)C ZINC000020728773 522967819 /nfs/dbraw/zinc/96/78/19/522967819.db2.gz ZTAZUOQDDKBNAS-HXUWFJFHSA-N 0 0 439.541 4.438 50 0 IIAARN COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000012344773 522969750 /nfs/dbraw/zinc/96/97/50/522969750.db2.gz XFOCWFFTYZNANS-NRFANRHFSA-N 0 0 425.460 4.290 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000036043166 523038912 /nfs/dbraw/zinc/03/89/12/523038912.db2.gz BLHMSWAHOPBXEF-QMHKHESXSA-N 0 0 443.563 4.429 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)N(Cc1ccccc1C)CC2 ZINC000036041050 523045458 /nfs/dbraw/zinc/04/54/58/523045458.db2.gz QVUSYQIUBMSHDU-VWLOTQADSA-N 0 0 444.575 4.471 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NCCc1cccs1)CC2 ZINC000035334211 523050419 /nfs/dbraw/zinc/05/04/19/523050419.db2.gz GNGVNKTZIBBAKD-VWLOTQADSA-N 0 0 436.577 4.072 50 0 IIAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ccccc1C(N)=O ZINC000012296429 523073788 /nfs/dbraw/zinc/07/37/88/523073788.db2.gz ULNZMIYYXZVYFV-UHFFFAOYSA-N 0 0 442.471 4.139 50 0 biogenic IIAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCCSC)c21 ZINC000011842058 523084835 /nfs/dbraw/zinc/08/48/35/523084835.db2.gz ODNDOZZBDLNBPY-UHFFFAOYSA-N 0 0 440.569 4.173 50 0 IIAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000034693721 523102885 /nfs/dbraw/zinc/10/28/85/523102885.db2.gz MGMSDJBJACSLIJ-UHFFFAOYSA-N 0 0 436.943 4.368 50 0 IIAARN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000021033143 523145957 /nfs/dbraw/zinc/14/59/57/523145957.db2.gz BUMWVKZPWVCQPY-UHFFFAOYSA-N 0 0 441.278 4.361 50 0 IIAARN COc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5OC)no4)c(=O)c23)cc1 ZINC000012913850 523172693 /nfs/dbraw/zinc/17/26/93/523172693.db2.gz GGPBQBRKPWVQMD-UHFFFAOYSA-N 0 0 446.488 4.241 50 0 IIAARN COc1ccc(-c2csc3nc(C)nc(Sc4nnnn4C4CC4)c23)cc1OC ZINC000012676112 523173204 /nfs/dbraw/zinc/17/32/04/523173204.db2.gz KOBVJABNUMCPEV-UHFFFAOYSA-N 0 0 426.527 4.157 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)cs2)cc1 ZINC000012554962 523188975 /nfs/dbraw/zinc/18/89/75/523188975.db2.gz AFFHOMPGSCYKSS-UHFFFAOYSA-N 0 0 439.512 4.123 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)cc1OC ZINC000012563487 523189509 /nfs/dbraw/zinc/18/95/09/523189509.db2.gz WKPZOQCFGFGHSZ-UHFFFAOYSA-N 0 0 437.565 4.407 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087524 523225322 /nfs/dbraw/zinc/22/53/22/523225322.db2.gz KITAFUJLHWCISE-UHFFFAOYSA-N 0 0 438.553 4.474 50 0 IIAARN COC(=O)CSCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 ZINC000021238087 523233629 /nfs/dbraw/zinc/23/36/29/523233629.db2.gz BHUAYOOMNMXFEZ-HSZRJFAPSA-N 0 0 448.544 4.432 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 ZINC000013145935 523238676 /nfs/dbraw/zinc/23/86/76/523238676.db2.gz ZUSTWDHPEGALFQ-DTQAZKPQSA-N 0 0 435.487 4.498 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000035684883 523248047 /nfs/dbraw/zinc/24/80/47/523248047.db2.gz MBDLZQPVRLNGQO-OAHLLOKOSA-N 0 0 430.386 4.456 50 0 IIAARN CCn1c2c(nc(CCC(=O)Nc3cccc(C)c3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021040639 523255014 /nfs/dbraw/zinc/25/50/14/523255014.db2.gz WOWRPSAAGZKUOK-UHFFFAOYSA-N 0 0 429.524 4.099 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2CCc2ccccc2)cc1 ZINC000012658465 523260207 /nfs/dbraw/zinc/26/02/07/523260207.db2.gz XATUZANFRUARBW-UHFFFAOYSA-N 0 0 436.581 4.347 50 0 IIAARN COc1ccc(-c2nnc(SCCOc3ccc(C(C)(C)C)cc3)n2N)cc1OC ZINC000013145882 523263458 /nfs/dbraw/zinc/26/34/58/523263458.db2.gz FDZUOSBRVJJZRL-UHFFFAOYSA-N 0 0 428.558 4.145 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)[C@H](C)c1ccccc1 ZINC000020814458 523267446 /nfs/dbraw/zinc/26/74/46/523267446.db2.gz HBKQEOJYIWQSCZ-LJQANCHMSA-N 0 0 440.613 4.424 50 0 IIAARN CN(Cc1ccccc1)CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000016188619 523344497 /nfs/dbraw/zinc/34/44/97/523344497.db2.gz MRYFMPZFIAGLJL-RUZDIDTESA-N 0 0 429.545 4.056 50 0 IIAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(Cl)c4)n3)c2C)cc1 ZINC000020597781 523353187 /nfs/dbraw/zinc/35/31/87/523353187.db2.gz SMQMXKSXINNXKJ-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)C(=O)c2cc(F)ccc21 ZINC000023983060 523488833 /nfs/dbraw/zinc/48/88/33/523488833.db2.gz NLASSZBQRCSDMI-UHFFFAOYSA-N 0 0 440.478 4.297 50 0 IIAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cn(C(F)F)nc2C)n1 ZINC000020614364 523493180 /nfs/dbraw/zinc/49/31/80/523493180.db2.gz ZSOOTKFCZFZWGS-UHFFFAOYSA-N 0 0 437.516 4.322 50 0 IIAARN COCCCn1c(=O)c2ccccc2nc1SCc1noc(-c2ccc(Cl)cc2)n1 ZINC000012897063 523496022 /nfs/dbraw/zinc/49/60/22/523496022.db2.gz UQNTYJXEWGSZOA-UHFFFAOYSA-N 0 0 442.928 4.429 50 0 IIAARN CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000012314266 523520617 /nfs/dbraw/zinc/52/06/17/523520617.db2.gz VVNXSZDGLRAECG-MRXNPFEDSA-N 0 0 443.569 4.408 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000012567918 523523080 /nfs/dbraw/zinc/52/30/80/523523080.db2.gz COSZZXGVMKTVKB-UHFFFAOYSA-N 0 0 439.515 4.200 50 0 IIAARN COC(=O)[C@@H](C)N(CCC(C)C)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844978 523528175 /nfs/dbraw/zinc/52/81/75/523528175.db2.gz CKDADGTWHOBZQN-OAQYLSRUSA-N 0 0 428.573 4.069 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000012157333 523567190 /nfs/dbraw/zinc/56/71/90/523567190.db2.gz IFRHIXWSQVBKAI-QHCPKHFHSA-N 0 0 425.529 4.066 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCCOC(C)C)c3)C2)cc1 ZINC000033034746 523635926 /nfs/dbraw/zinc/63/59/26/523635926.db2.gz NQTODMSPDAHNQC-HSZRJFAPSA-N 0 0 438.568 4.260 50 0 biogenic IIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1)C(=O)CC(C)(C)C ZINC000035946806 523651385 /nfs/dbraw/zinc/65/13/85/523651385.db2.gz MRTJDMRKDASUEV-HXUWFJFHSA-N 0 0 443.519 4.008 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036041967 523671229 /nfs/dbraw/zinc/67/12/29/523671229.db2.gz PRTGKOAUKGDZCK-UXHICEINSA-N 0 0 434.458 4.094 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036041969 523672726 /nfs/dbraw/zinc/67/27/26/523672726.db2.gz PRTGKOAUKGDZCK-PMACEKPBSA-N 0 0 434.458 4.094 50 0 IIAARN COc1ccc(C(=O)N[C@@H](c2nnc(SCCOc3ccccc3)n2C)C(C)C)cc1 ZINC000035655177 523724709 /nfs/dbraw/zinc/72/47/09/523724709.db2.gz GTDPGCKHQXHQNE-HXUWFJFHSA-N 0 0 440.569 4.122 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035976432 523736729 /nfs/dbraw/zinc/73/67/29/523736729.db2.gz IHLGNLCYQSBTSH-UHFFFAOYSA-N 0 0 435.524 4.367 50 0 IIAARN CCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012124329 523739116 /nfs/dbraw/zinc/73/91/16/523739116.db2.gz HOTRXKRRZAXRQJ-UHFFFAOYSA-N 0 0 425.492 4.315 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1OC ZINC000009659187 523763000 /nfs/dbraw/zinc/76/30/00/523763000.db2.gz LUMJKSWMPOEKKM-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COc1ccc(C)cc1CN(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000015143653 523811070 /nfs/dbraw/zinc/81/10/70/523811070.db2.gz DEYWAENJWUQYLW-UHFFFAOYSA-N 0 0 438.837 4.253 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccccc1 ZINC000034927893 523811162 /nfs/dbraw/zinc/81/11/62/523811162.db2.gz UJLOVGXBSCHMJA-BJKOFHAPSA-N 0 0 432.495 4.069 50 0 IIAARN CN(C(=O)COC(=O)c1cccnc1Cl)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000021577734 523831302 /nfs/dbraw/zinc/83/13/02/523831302.db2.gz JCBDHTNCHWWIQE-OAQYLSRUSA-N 0 0 435.307 4.042 50 0 IIAARN CC[C@H](C)C(=O)Nc1c2cc(NCC(C)(C)C)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014531436 523837060 /nfs/dbraw/zinc/83/70/60/523837060.db2.gz KHRQAABRMPHXEJ-DOTOQJQBSA-N 0 0 444.576 4.445 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012769346 523842390 /nfs/dbraw/zinc/84/23/90/523842390.db2.gz CSKRXERIFRRPQR-UHFFFAOYSA-N 0 0 442.562 4.064 50 0 IIAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cc(OC)cc(OC)c3)CC2)s1 ZINC000021716357 523849221 /nfs/dbraw/zinc/84/92/21/523849221.db2.gz IDQPIWWBQYWRBB-UHFFFAOYSA-N 0 0 426.542 4.126 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cc(OC)cc(OC)c3)C2)s1 ZINC000033078473 523850076 /nfs/dbraw/zinc/85/00/76/523850076.db2.gz DDIZYNOEDPHLIS-CQSZACIVSA-N 0 0 426.542 4.126 50 0 IIAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CSC)o3)[C@H](c3ccco3)C2)cc1 ZINC000012896900 523877366 /nfs/dbraw/zinc/87/73/66/523877366.db2.gz PWPVELXBYPTNSL-INIZCTEOSA-N 0 0 444.538 4.004 50 0 IIAARN COc1ccc(C2=NN(CCN3CCOCC3)C(c3ccc(OC)cc3)=C(C)S2)cc1 ZINC000022079755 523877988 /nfs/dbraw/zinc/87/79/88/523877988.db2.gz WEOBECSSUZNGPU-UHFFFAOYSA-N 0 0 439.581 4.135 50 0 IIAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000012868760 523880162 /nfs/dbraw/zinc/88/01/62/523880162.db2.gz RLRFACXEJFXUSG-MHZLTWQESA-N 0 0 445.515 4.274 50 0 IIAARN CCc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(OS(=O)(=O)CC)cc2)cc1 ZINC000035769895 523882881 /nfs/dbraw/zinc/88/28/81/523882881.db2.gz DOBQMWBEESXGGS-UHFFFAOYSA-N 0 0 427.522 4.413 50 0 IIAARN COc1ccc(CC(=O)Nc2nnc(SCc3cc(OC)cc(OC)c3)s2)cc1 ZINC000035924422 523912716 /nfs/dbraw/zinc/91/27/16/523912716.db2.gz IBEVKRSZOBJKSC-UHFFFAOYSA-N 0 0 431.539 4.037 50 0 IIAARN COc1ccc(CCN2Cc3cc(NC(=O)Cc4ccccc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884667 523952923 /nfs/dbraw/zinc/95/29/23/523952923.db2.gz DTEOJMODXXIZBW-IBGZPJMESA-N 0 0 444.531 4.229 50 0 IIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccccc4)ccc3O[C@H](C)C2=O)cc1 ZINC000035884647 523952980 /nfs/dbraw/zinc/95/29/80/523952980.db2.gz DMFDCDIMIOVRMB-GOSISDBHSA-N 0 0 430.504 4.300 50 0 IIAARN COc1ccc(CCNC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)cc1OC ZINC000015679091 523972089 /nfs/dbraw/zinc/97/20/89/523972089.db2.gz WRIMRYSSJNNUNZ-UHFFFAOYSA-N 0 0 437.515 4.405 50 0 IIAARN CCc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000035512545 523983556 /nfs/dbraw/zinc/98/35/56/523983556.db2.gz ITPUBXLNFBNXJY-UHFFFAOYSA-N 0 0 429.586 4.170 50 0 IIAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012459589 524001502 /nfs/dbraw/zinc/00/15/02/524001502.db2.gz VFCMRNPRYQRYTQ-XMMPIXPASA-N 0 0 447.579 4.169 50 0 IIAARN CCc1ccc(OC[C@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000012892720 524006418 /nfs/dbraw/zinc/00/64/18/524006418.db2.gz BPDPHXAQVLOHRW-ZDUSSCGKSA-N 0 0 431.867 4.496 50 0 IIAARN COc1ccc(CN(CC(C)C)C(=O)C(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000033748646 524012180 /nfs/dbraw/zinc/01/21/80/524012180.db2.gz BEWLNZLACXTHRL-UHFFFAOYSA-N 0 0 437.533 4.243 50 0 IIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncs2)cc1OCc1ccco1 ZINC000012099375 524013523 /nfs/dbraw/zinc/01/35/23/524013523.db2.gz QJCZGIXAUSQRIE-KRWDZBQOSA-N 0 0 428.510 4.145 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526477 524021094 /nfs/dbraw/zinc/02/10/94/524021094.db2.gz DJVLWLFEALTIBA-SANMLTNESA-N 0 0 449.551 4.497 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021811221 524021498 /nfs/dbraw/zinc/02/14/98/524021498.db2.gz HWJIZQXAPADYBZ-ADLZZSLISA-N 0 0 449.551 4.353 50 0 IIAARN COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1 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4.026 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1NC(C)=O ZINC000012905891 524583485 /nfs/dbraw/zinc/58/34/85/524583485.db2.gz HIIXLMWKGJCQJB-SNVBAGLBSA-N 0 0 441.709 4.476 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1C ZINC000017135636 524602773 /nfs/dbraw/zinc/60/27/73/524602773.db2.gz BDYNHHJULLIDND-UHFFFAOYSA-N 0 0 437.590 4.287 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)c1C ZINC000012140713 524608861 /nfs/dbraw/zinc/60/88/61/524608861.db2.gz HPPJRIVLFXVQLV-UHFFFAOYSA-N 0 0 439.471 4.154 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1C(F)(F)F ZINC000065289451 524615995 /nfs/dbraw/zinc/61/59/95/524615995.db2.gz PZHHULMMWMIXRI-AWEZNQCLSA-N 0 0 434.462 4.238 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(C)ccc2OC)cs1 ZINC000016047535 524617887 /nfs/dbraw/zinc/61/78/87/524617887.db2.gz ZUQYYIBJVIXHDM-UHFFFAOYSA-N 0 0 426.498 4.294 50 0 IIAARN Cc1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000033317507 524620309 /nfs/dbraw/zinc/62/03/09/524620309.db2.gz ZAJFSSDZKCPIOT-UHFFFAOYSA-N 0 0 434.477 4.442 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1 ZINC000012567395 524627496 /nfs/dbraw/zinc/62/74/96/524627496.db2.gz LMUFZUOPSACUJN-UHFFFAOYSA-N 0 0 429.476 4.327 50 0 IIAARN COc1ccc(NC(=O)c2ccc(C)nc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000021877893 524630533 /nfs/dbraw/zinc/63/05/33/524630533.db2.gz PGPJVEBWLYRQQI-UHFFFAOYSA-N 0 0 431.901 4.105 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012788030 524635283 /nfs/dbraw/zinc/63/52/83/524635283.db2.gz GEMALWDZDVEPEK-UHFFFAOYSA-N 0 0 447.491 4.159 50 0 IIAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c2ccccc2O1 ZINC000041158141 524660998 /nfs/dbraw/zinc/66/09/98/524660998.db2.gz AZTKHZGPVKYZJU-HNNXBMFYSA-N 0 0 426.469 4.054 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585280 524688592 /nfs/dbraw/zinc/68/85/92/524688592.db2.gz NYBGQLKKXGVXEC-JXFKEZNVSA-N 0 0 443.569 4.081 50 0 IIAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)s2)c1 ZINC000021258555 524700315 /nfs/dbraw/zinc/70/03/15/524700315.db2.gz KFWHUOJMGYYKTO-CQSZACIVSA-N 0 0 442.566 4.331 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051623 524759147 /nfs/dbraw/zinc/75/91/47/524759147.db2.gz JNYFELIATXWQEV-ZEQRLZLVSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000012753431 524791976 /nfs/dbraw/zinc/79/19/76/524791976.db2.gz VLFKZGQBIYBAJH-UHFFFAOYSA-N 0 0 446.475 4.430 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)c1 ZINC000012292533 524847373 /nfs/dbraw/zinc/84/73/73/524847373.db2.gz KHUFXYIXQHFRJW-UHFFFAOYSA-N 0 0 442.512 4.105 50 0 IIAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324904 524884041 /nfs/dbraw/zinc/88/40/41/524884041.db2.gz YKIZACHROLRTSM-GJZGRUSLSA-N 0 0 434.993 4.033 50 0 IIAARN COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2ccc(C)cc2)cc1=O ZINC000015824807 524888382 /nfs/dbraw/zinc/88/83/82/524888382.db2.gz CYCFCFREPQPYOO-UHFFFAOYSA-N 0 0 442.968 4.427 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000012919759 524893447 /nfs/dbraw/zinc/89/34/47/524893447.db2.gz IWVBVRVVXKBRRY-SFHVURJKSA-N 0 0 437.323 4.104 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012809726 524912918 /nfs/dbraw/zinc/91/29/18/524912918.db2.gz PTQOERDUHYDWSB-GOSISDBHSA-N 0 0 437.323 4.104 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1Cl ZINC000012911466 524913150 /nfs/dbraw/zinc/91/31/50/524913150.db2.gz KNVZZESSKFMYGR-INIZCTEOSA-N 0 0 447.000 4.107 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccc(Cl)c1 ZINC000012920251 524914043 /nfs/dbraw/zinc/91/40/43/524914043.db2.gz VHZPIUTXCWBSAP-INIZCTEOSA-N 0 0 447.000 4.107 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765749 524914059 /nfs/dbraw/zinc/91/40/59/524914059.db2.gz MUKBKSAGCWPYPX-HXUWFJFHSA-N 0 0 447.373 4.262 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000248083388 524929943 /nfs/dbraw/zinc/92/99/43/524929943.db2.gz DOEDEFKGCVGNNU-OJJQZRKESA-N 0 0 434.495 4.268 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)cc1C ZINC000016033568 524930241 /nfs/dbraw/zinc/93/02/41/524930241.db2.gz LPRNTVANBTUBJO-KEZOAJOQSA-N 0 0 438.483 4.295 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)cc1 ZINC000020732459 524935660 /nfs/dbraw/zinc/93/56/60/524935660.db2.gz OZXMRMSEQNZACH-UHFFFAOYSA-N 0 0 442.519 4.473 50 0 IIAARN COc1ccc(OCCSc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)cc1 ZINC000023995924 524964492 /nfs/dbraw/zinc/96/44/92/524964492.db2.gz DADDGYLEKBVCHG-UHFFFAOYSA-N 0 0 445.610 4.320 50 0 IIAARN Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c(C)c1 ZINC000020736702 524965653 /nfs/dbraw/zinc/96/56/53/524965653.db2.gz MUEQFWDBCVDZIQ-NRFANRHFSA-N 0 0 442.357 4.495 50 0 IIAARN C[C@H](NC(=O)CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000032987155 524976539 /nfs/dbraw/zinc/97/65/39/524976539.db2.gz YAWBDWCLLLPLDF-ZDUSSCGKSA-N 0 0 430.530 4.040 50 0 IIAARN C[C@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020857453 524990375 /nfs/dbraw/zinc/99/03/75/524990375.db2.gz KXPDHYPHPNQWGB-MBSDFSHPSA-N 0 0 425.623 4.420 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1F ZINC000022766802 525004601 /nfs/dbraw/zinc/00/46/01/525004601.db2.gz QYRPSOYDFIZADU-QFIPXVFZSA-N 0 0 437.540 4.050 50 0 IIAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012217415 525005722 /nfs/dbraw/zinc/00/57/22/525005722.db2.gz VICSUKBPPORHTR-GOSISDBHSA-N 0 0 426.520 4.257 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(Cl)c1 ZINC000012880360 525028511 /nfs/dbraw/zinc/02/85/11/525028511.db2.gz GFGBTRVKQIFNSJ-UHFFFAOYSA-N 0 0 432.973 4.177 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccs4)ccc32)cc1 ZINC000016954473 525033180 /nfs/dbraw/zinc/03/31/80/525033180.db2.gz PJZZSEBSICAQJX-UHFFFAOYSA-N 0 0 428.535 4.151 50 0 IIAARN C[C@@H]1CN(Cn2nc(-c3cccnc3)n(-c3ccc(SC(F)F)cc3)c2=S)CCO1 ZINC000012554218 525038942 /nfs/dbraw/zinc/03/89/42/525038942.db2.gz ICKXEMZSEGKRKW-CQSZACIVSA-N 0 0 449.552 4.458 50 0 IIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)CCN1C(=O)C1CC1 ZINC000034707504 525074339 /nfs/dbraw/zinc/07/43/39/525074339.db2.gz MZEYAPABHPVTQD-OAHLLOKOSA-N 0 0 446.942 4.045 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(COc4ccccc4)n3)cc2)cc1 ZINC000021702584 525079187 /nfs/dbraw/zinc/07/91/87/525079187.db2.gz VUKDCDOFQZQNKB-UHFFFAOYSA-N 0 0 437.477 4.125 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1C ZINC000017011372 525087717 /nfs/dbraw/zinc/08/77/17/525087717.db2.gz IKQWKRGORTXXFK-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012745101 525096956 /nfs/dbraw/zinc/09/69/56/525096956.db2.gz OAHUBDBWRJISEZ-UHFFFAOYSA-N 0 0 440.565 4.063 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)cc1F ZINC000035535179 525104113 /nfs/dbraw/zinc/10/41/13/525104113.db2.gz GPUGYLGIYORQBV-UHFFFAOYSA-N 0 0 443.478 4.331 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)cc1C ZINC000035535150 525104643 /nfs/dbraw/zinc/10/46/43/525104643.db2.gz POCOURANNBSBPV-UHFFFAOYSA-N 0 0 439.515 4.500 50 0 IIAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661147 525162136 /nfs/dbraw/zinc/16/21/36/525162136.db2.gz XUWUPZICSCZJBP-UHFFFAOYSA-N 0 0 443.898 4.144 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561034 525171717 /nfs/dbraw/zinc/17/17/17/525171717.db2.gz BMEMUDWEPFAABP-JOCHJYFZSA-N 0 0 430.504 4.107 50 0 IIAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc21 ZINC000012768192 525186025 /nfs/dbraw/zinc/18/60/25/525186025.db2.gz RAFLUYOHFRDZEJ-UHFFFAOYSA-N 0 0 433.942 4.038 50 0 IIAARN COc1ccc([C@@H](NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c2nccn2C)cc1 ZINC000012541437 525192340 /nfs/dbraw/zinc/19/23/40/525192340.db2.gz WZODYLBFZBDZRD-AQDPXUSMSA-N 0 0 443.638 4.247 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1Cl ZINC000021861759 525198479 /nfs/dbraw/zinc/19/84/79/525198479.db2.gz XNADNNBYEJKYOM-XMMPIXPASA-N 0 0 436.943 4.163 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1CCc1ccccc1 ZINC000035405754 525212405 /nfs/dbraw/zinc/21/24/05/525212405.db2.gz LOIFWPMQSLBHCD-AREMUKBSSA-N 0 0 443.572 4.476 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000035537001 525212761 /nfs/dbraw/zinc/21/27/61/525212761.db2.gz GJUYAURIVYMRJD-NRFANRHFSA-N 0 0 430.346 4.400 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021865447 525212819 /nfs/dbraw/zinc/21/28/19/525212819.db2.gz WCKVAILGSRSCAH-HHHXNRCGSA-N 0 0 439.515 4.479 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(c2cc(SCC(=O)Nc3ccc(Br)cc3)ncn2)C1 ZINC000049006740 525214856 /nfs/dbraw/zinc/21/48/56/525214856.db2.gz VKOAQGKRDGEZOS-ZIAGYGMSSA-N 0 0 435.391 4.452 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc(Cl)cc1 ZINC000012553919 525224364 /nfs/dbraw/zinc/22/43/64/525224364.db2.gz BIFNVEUQYZONPL-AWEZNQCLSA-N 0 0 431.945 4.312 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)ccc1Br ZINC000015728070 525232844 /nfs/dbraw/zinc/23/28/44/525232844.db2.gz NBQGLESQQRAEFX-AWEZNQCLSA-N 0 0 446.374 4.255 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCC5)c(OC)c1OC ZINC000012296358 525236135 /nfs/dbraw/zinc/23/61/35/525236135.db2.gz JDWNATUWKYSSHQ-SFHVURJKSA-N 0 0 436.460 4.322 50 0 biogenic IIAARN Cc1ccccc1OCC(=O)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 ZINC000035461091 525278435 /nfs/dbraw/zinc/27/84/35/525278435.db2.gz WKZCITRRVZFAOU-UHFFFAOYSA-N 0 0 425.448 4.396 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017136070 525279040 /nfs/dbraw/zinc/27/90/40/525279040.db2.gz FPYOZUQUQBWRQY-UHFFFAOYSA-N 0 0 436.533 4.154 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3ccc(Cl)c(Cl)c3)s1)CS2 ZINC000012846855 525343320 /nfs/dbraw/zinc/34/33/20/525343320.db2.gz WYPSGUDQAONJPF-KSSFIOAISA-N 0 0 442.393 4.433 50 0 IIAARN COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000020680503 525383214 /nfs/dbraw/zinc/38/32/14/525383214.db2.gz DBNWSZCHSJDIPT-FNZWTVRRSA-N 0 0 428.532 4.411 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(-n2cnnc2)c1 ZINC000015867191 525394788 /nfs/dbraw/zinc/39/47/88/525394788.db2.gz ALKWPXYAWHSALO-UHFFFAOYSA-N 0 0 425.448 4.401 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(C3OCCCO3)c2)c(-n2nc3ccccc3n2)c1 ZINC000012447400 525394980 /nfs/dbraw/zinc/39/49/80/525394980.db2.gz HVOGAJGCMNYBKV-UHFFFAOYSA-N 0 0 444.491 4.182 50 0 IIAARN Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)ccc1F ZINC000022767529 525410805 /nfs/dbraw/zinc/41/08/05/525410805.db2.gz BSZIIIZVUXCOSE-JOCHJYFZSA-N 0 0 430.570 4.274 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC ZINC000012552727 525412382 /nfs/dbraw/zinc/41/23/82/525412382.db2.gz NDAVMWYBRDBDPX-HXUWFJFHSA-N 0 0 435.499 4.495 50 0 IIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2cccs2)cc1 ZINC000020413977 525441033 /nfs/dbraw/zinc/44/10/33/525441033.db2.gz ZVTWKIQDHBTISX-QHCPKHFHSA-N 0 0 445.544 4.110 50 0 IIAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1OC ZINC000012344290 525443249 /nfs/dbraw/zinc/44/32/49/525443249.db2.gz OVCIYPHBDIBDFD-QFIPXVFZSA-N 0 0 437.496 4.160 50 0 IIAARN COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4cccnc4Cl)n3c2c1 ZINC000012521689 525496174 /nfs/dbraw/zinc/49/61/74/525496174.db2.gz LBJXDAVVVNVCPW-LBPRGKRZSA-N 0 0 427.917 4.367 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)C(C)C)Cc2ccco2)cc1 ZINC000022323507 525502791 /nfs/dbraw/zinc/50/27/91/525502791.db2.gz VUWSJIYITBEKSY-UHFFFAOYSA-N 0 0 440.565 4.216 50 0 IIAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012380754 525506123 /nfs/dbraw/zinc/50/61/23/525506123.db2.gz XATOJAGZEQRSNP-VIFPVBQESA-N 0 0 441.258 4.318 50 0 IIAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000035477203 525506388 /nfs/dbraw/zinc/50/63/88/525506388.db2.gz DCBZDPQFPXWPFY-UHFFFAOYSA-N 0 0 447.974 4.400 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020597796 525513539 /nfs/dbraw/zinc/51/35/39/525513539.db2.gz GOTAALBQFXWSPK-UHFFFAOYSA-N 0 0 436.444 4.427 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000012705907 525523734 /nfs/dbraw/zinc/52/37/34/525523734.db2.gz JDSHDIKNERVBRI-UHFFFAOYSA-N 0 0 433.517 4.081 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1C ZINC000035399318 525524528 /nfs/dbraw/zinc/52/45/28/525524528.db2.gz JATWJUFYFRFFSO-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccccc2C)cc1 ZINC000035559368 525552616 /nfs/dbraw/zinc/55/26/16/525552616.db2.gz UZPOYWGPIZCEFI-VWLOTQADSA-N 0 0 448.588 4.298 50 0 IIAARN Cc1cc([C@H]2C[C@@H](C(=O)N3CCSCC3)CN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000034755310 525553001 /nfs/dbraw/zinc/55/30/01/525553001.db2.gz HNNPLAUDNUTZMJ-VQTJNVASSA-N 0 0 441.572 4.347 50 0 IIAARN C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000035684384 525569132 /nfs/dbraw/zinc/56/91/32/525569132.db2.gz CYYDWENZCFBLKM-JJCXBQPYSA-N 0 0 436.533 4.183 50 0 IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000089712575 525590236 /nfs/dbraw/zinc/59/02/36/525590236.db2.gz MPTUAMCIQIEPEN-SFHVURJKSA-N 0 0 449.642 4.424 50 0 IIAARN COc1ccc2c(c1)c(C(=O)CN1CCN(c3cc(Cl)ccc3C)CC1)c(C)n2C ZINC000035945993 525600608 /nfs/dbraw/zinc/60/06/08/525600608.db2.gz HWXYBFJNSJHSDS-UHFFFAOYSA-N 0 0 425.960 4.462 50 0 IIAARN COc1ccc2c(c1)c(C(=O)NC[C@@H](c1cccs1)N1CCOCC1)c(C)n2C1CC1 ZINC000012608266 525601727 /nfs/dbraw/zinc/60/17/27/525601727.db2.gz YWOATQXCSRCRDL-NRFANRHFSA-N 0 0 439.581 4.158 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCC1=CCCCC1 ZINC000012871211 525610980 /nfs/dbraw/zinc/61/09/80/525610980.db2.gz PAPDQYMMGUWAAG-DENIHFKCSA-N 0 0 430.570 4.059 50 0 biogenic IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)o1 ZINC000021810788 525618947 /nfs/dbraw/zinc/61/89/47/525618947.db2.gz JNGFGLMOSLJOEF-QHCPKHFHSA-N 0 0 425.554 4.468 50 0 IIAARN C[C@@H]1S[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000012416930 525625682 /nfs/dbraw/zinc/62/56/82/525625682.db2.gz FWCUDIPRIOFEOS-HJPURHCSSA-N 0 0 441.984 4.451 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C3=O ZINC000021857551 525644211 /nfs/dbraw/zinc/64/42/11/525644211.db2.gz VIMBTJJZAYJQJZ-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCCN3CCOCC3)cc12 ZINC000020597580 525685810 /nfs/dbraw/zinc/68/58/10/525685810.db2.gz DOPMQQZDOUWYCE-UHFFFAOYSA-N 0 0 439.987 4.412 50 0 IIAARN Cc1cc2nnc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2c2ccccc12 ZINC000021486390 525687852 /nfs/dbraw/zinc/68/78/52/525687852.db2.gz UOYOUJLKPUTQKD-LJQANCHMSA-N 0 0 445.592 4.016 50 0 IIAARN COc1cccc(-n2cc(C(=O)OCCOc3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000021359807 525752038 /nfs/dbraw/zinc/75/20/38/525752038.db2.gz HXUHSVUVELVBHF-UHFFFAOYSA-N 0 0 433.435 4.374 50 0 IIAARN COc1cccc(-n2nnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012293143 525755736 /nfs/dbraw/zinc/75/57/36/525755736.db2.gz SWVCQVVDCZLTGN-UHFFFAOYSA-N 0 0 443.838 4.074 50 0 IIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000012775699 525757248 /nfs/dbraw/zinc/75/72/48/525757248.db2.gz ZNSFGIWUELNKMM-JOCHJYFZSA-N 0 0 439.556 4.145 50 0 IIAARN Cc1ccc(-c2ccnc3c(C(=O)N4CCN(c5ccccc5F)CC4)cnn32)cc1C ZINC000034786275 525761362 /nfs/dbraw/zinc/76/13/62/525761362.db2.gz HZJWAOMEJCGFEX-UHFFFAOYSA-N 0 0 429.499 4.115 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012567264 525765459 /nfs/dbraw/zinc/76/54/59/525765459.db2.gz HJCVGTVTTIVOIU-UHFFFAOYSA-N 0 0 445.910 4.265 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CSc3nncn3Cc3ccco3)n2)cc1C ZINC000022379513 525783659 /nfs/dbraw/zinc/78/36/59/525783659.db2.gz HPXURXULQSQVBE-UHFFFAOYSA-N 0 0 425.539 4.391 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccccc1 ZINC000021863802 525790917 /nfs/dbraw/zinc/79/09/17/525790917.db2.gz GAVDJNLHKPMGLG-SANMLTNESA-N 0 0 431.536 4.264 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCc1ccccc1 ZINC000021850992 525792394 /nfs/dbraw/zinc/79/23/94/525792394.db2.gz VBEQIXNHGUAKJW-SANMLTNESA-N 0 0 446.551 4.049 50 0 IIAARN COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccccc4Cl)oc3C)CC2)c1 ZINC000015063350 525801194 /nfs/dbraw/zinc/80/11/94/525801194.db2.gz LPSFMIPVQWSGHJ-UHFFFAOYSA-N 0 0 425.916 4.270 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cc(C)ccc3C)CC2)c1 ZINC000035887470 525804407 /nfs/dbraw/zinc/80/44/07/525804407.db2.gz AHYHJUYVXVEIKL-UHFFFAOYSA-N 0 0 444.579 4.272 50 0 IIAARN Cc1ccc(-c2nc3cccnc3n2CCCNS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000021155446 525826814 /nfs/dbraw/zinc/82/68/14/525826814.db2.gz AOYRGHILPHXTCI-UHFFFAOYSA-N 0 0 434.565 4.392 50 0 IIAARN Cc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000020996522 525840547 /nfs/dbraw/zinc/84/05/47/525840547.db2.gz VQZGAMZWOCIUKM-UHFFFAOYSA-N 0 0 442.519 4.390 50 0 IIAARN Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012744767 525855388 /nfs/dbraw/zinc/85/53/88/525855388.db2.gz ZWFMEMFYKJNTDS-NRFANRHFSA-N 0 0 434.517 4.034 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035962074 525857100 /nfs/dbraw/zinc/85/71/00/525857100.db2.gz UATXSNVXCXEQJY-JOCHJYFZSA-N 0 0 439.943 4.285 50 0 IIAARN Cc1ccc(-c2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccc(C)cc2)cc1 ZINC000012527430 525857746 /nfs/dbraw/zinc/85/77/46/525857746.db2.gz NPORZIFOQNMVKQ-MRXNPFEDSA-N 0 0 446.584 4.238 50 0 IIAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022773793 525859470 /nfs/dbraw/zinc/85/94/70/525859470.db2.gz UUNOQOJEZZJYNS-SFHVURJKSA-N 0 0 426.948 4.456 50 0 IIAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022773788 525859964 /nfs/dbraw/zinc/85/99/64/525859964.db2.gz UUNOQOJEZZJYNS-GOSISDBHSA-N 0 0 426.948 4.456 50 0 IIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@H](C)O3)c1 ZINC000035883582 525874529 /nfs/dbraw/zinc/87/45/29/525874529.db2.gz VVOZJEJVEKGLBD-IBGZPJMESA-N 0 0 444.531 4.229 50 0 IIAARN COc1cccc(CC2=NO[C@H](C(=O)N3CCC(Sc4ccc(F)cc4)CC3)C2)c1 ZINC000012198987 525876874 /nfs/dbraw/zinc/87/68/74/525876874.db2.gz UPVJZNDVUJTHRG-QFIPXVFZSA-N 0 0 428.529 4.305 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850450 525918302 /nfs/dbraw/zinc/91/83/02/525918302.db2.gz WNQXZGHSIJGPSY-HUUCEWRRSA-N 0 0 429.318 4.017 50 0 IIAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)CC(C)C)c1 ZINC000035835353 525925497 /nfs/dbraw/zinc/92/54/97/525925497.db2.gz CLSBYYRKNIMJKD-NRFANRHFSA-N 0 0 440.540 4.280 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021857009 525927936 /nfs/dbraw/zinc/92/79/36/525927936.db2.gz UTJTUXHGEIZVAM-AREMUKBSSA-N 0 0 431.536 4.123 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036001994 525934126 /nfs/dbraw/zinc/93/41/26/525934126.db2.gz KCYPQHBRQMUGDP-UHFFFAOYSA-N 0 0 446.942 4.048 50 0 IIAARN Cc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Br)c1 ZINC000012770394 525947554 /nfs/dbraw/zinc/94/75/54/525947554.db2.gz XRWDFWROUQJNSR-MDZDMXLPSA-N 0 0 427.342 4.192 50 0 IIAARN COc1cccc(CN2C[C@H](C(=O)NC3c4ccccc4-c4ccccc43)CCC2=O)c1 ZINC000012468324 525957206 /nfs/dbraw/zinc/95/72/06/525957206.db2.gz BSFFMYJGSNOTJB-LJQANCHMSA-N 0 0 426.516 4.320 50 0 IIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016750035 525964175 /nfs/dbraw/zinc/96/41/75/525964175.db2.gz LVVSISBIDMVDNC-SFHVURJKSA-N 0 0 429.513 4.327 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000035528383 525965176 /nfs/dbraw/zinc/96/51/76/525965176.db2.gz NZHBXOWMIHJELG-UHFFFAOYSA-N 0 0 444.457 4.190 50 0 IIAARN C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000016648503 525985126 /nfs/dbraw/zinc/98/51/26/525985126.db2.gz MZOSSMOKVBDOMZ-CYBMUJFWSA-N 0 0 438.578 4.302 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417477 525995919 /nfs/dbraw/zinc/99/59/19/525995919.db2.gz KVKMYCKJRROOCA-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)s2)on1 ZINC000020978359 526041714 /nfs/dbraw/zinc/04/17/14/526041714.db2.gz QQRGUYRKPIWWGR-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000012123650 526120549 /nfs/dbraw/zinc/12/05/49/526120549.db2.gz WNSFLAQLEDVXDQ-UHFFFAOYSA-N 0 0 439.475 4.018 50 0 IIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012903124 526137503 /nfs/dbraw/zinc/13/75/03/526137503.db2.gz JLIMDXZKZPXJNE-CQSZACIVSA-N 0 0 426.870 4.293 50 0 IIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccccc2O)CC1 ZINC000024979914 526138082 /nfs/dbraw/zinc/13/80/82/526138082.db2.gz GQLBPUTUYIDROX-CYBMUJFWSA-N 0 0 427.854 4.214 50 0 IIAARN Cc1ccc(C(=O)NCCC(C)C)c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 ZINC000034729034 526160010 /nfs/dbraw/zinc/16/00/10/526160010.db2.gz RWJKBHZEXSXJOH-UHFFFAOYSA-N 0 0 429.511 4.464 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000012757140 526169201 /nfs/dbraw/zinc/16/92/01/526169201.db2.gz CWSAGVOCKRJZDA-UHFFFAOYSA-N 0 0 438.753 4.310 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012782295 526216365 /nfs/dbraw/zinc/21/63/65/526216365.db2.gz XVRMLEKXJXNNSK-GOSISDBHSA-N 0 0 438.553 4.155 50 0 IIAARN CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 ZINC000011613014 534913706 /nfs/dbraw/zinc/91/37/06/534913706.db2.gz PHMJTOYMDPKJBW-UHFFFAOYSA-N 0 0 433.474 4.165 50 0 IIAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)n1 ZINC000014994049 526222023 /nfs/dbraw/zinc/22/20/23/526222023.db2.gz DVOKSEISTFPICB-CZUORRHYSA-N 0 0 447.988 4.144 50 0 IIAARN Cc1ccc2nc(CSCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc(=O)n2c1 ZINC000023413701 526250365 /nfs/dbraw/zinc/25/03/65/526250365.db2.gz FGRPSOBUEHRQHX-UHFFFAOYSA-N 0 0 443.572 4.465 50 0 IIAARN Cc1ccc2nc(COc3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)cc(=O)n2c1 ZINC000033068150 526250541 /nfs/dbraw/zinc/25/05/41/526250541.db2.gz VIEYBRSAWJGAHZ-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)O[C@H]3CCOC3=O)cc12 ZINC000012679771 526287461 /nfs/dbraw/zinc/28/74/61/526287461.db2.gz LZCRFCXZAGXQOK-AWEZNQCLSA-N 0 0 425.293 4.234 50 0 IIAARN O=C(NCCCn1ncc2ccccc21)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012456143 526293510 /nfs/dbraw/zinc/29/35/10/526293510.db2.gz PCJAZXQYNXFCMM-UHFFFAOYSA-N 0 0 430.508 4.302 50 0 IIAARN O[C@H]1C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000097973318 526315641 /nfs/dbraw/zinc/31/56/41/526315641.db2.gz PDGHLARNGSMEJE-YAOOYPAMSA-N 0 0 434.532 4.481 50 0 IIAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020714166 526315699 /nfs/dbraw/zinc/31/56/99/526315699.db2.gz NLCONQVJVOYZOZ-SUJPRDTKSA-N 0 0 427.976 4.389 50 0 IIAARN Fc1ccc(-c2nnc(SCc3ccc4ccccc4n3)n2CCN2CCOCC2)cc1 ZINC000012516859 526318396 /nfs/dbraw/zinc/31/83/96/526318396.db2.gz JSNZVUNXFUOYGU-UHFFFAOYSA-N 0 0 449.555 4.257 50 0 IIAARN O=C(CC1=CCCCC1)N1CCc2c(sc3[nH]c(=O)n(C4CCCCC4)c(=O)c23)C1 ZINC000022621231 526337882 /nfs/dbraw/zinc/33/78/82/526337882.db2.gz JAXNGUCLMYGZOJ-UHFFFAOYSA-N 0 0 427.570 4.032 50 0 IIAARN O=C(NCCOc1ccccc1Cc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000012376596 526364728 /nfs/dbraw/zinc/36/47/28/526364728.db2.gz ODBUTVCVJADZNQ-DEOSSOPVSA-N 0 0 443.547 4.469 50 0 IIAARN O=C(CCCn1c(=O)oc2ccccc21)O[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000012468340 526469229 /nfs/dbraw/zinc/46/92/29/526469229.db2.gz YFJVYSVCPQUYKP-QHCPKHFHSA-N 0 0 430.460 4.298 50 0 IIAARN O=C(CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1 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527408073 /nfs/dbraw/zinc/40/80/73/527408073.db2.gz RPWRABDQQBXHSZ-UHFFFAOYSA-N 0 0 447.560 4.169 50 0 IIAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000035327308 527434385 /nfs/dbraw/zinc/43/43/85/527434385.db2.gz QVYAOYYKZGFHQE-KRWDZBQOSA-N 0 0 430.460 4.242 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCOCC1)nc2-c1ccccc1 ZINC000035929535 527435793 /nfs/dbraw/zinc/43/57/93/527435793.db2.gz ZTCNEVIPAAQLIV-UHFFFAOYSA-N 0 0 441.322 4.208 50 0 IIAARN O=c1[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c2c1CN(CCc1ccccc1)CN2 ZINC000020567559 527437224 /nfs/dbraw/zinc/43/72/24/527437224.db2.gz NOQPJIIHQHHXNB-UHFFFAOYSA-N 0 0 432.471 4.342 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000012559894 527451093 /nfs/dbraw/zinc/45/10/93/527451093.db2.gz WCEOHLQMJNJBBR-NRFANRHFSA-N 0 0 438.959 4.007 50 0 IIAARN O=c1c2c(nc(SCCN3CCOCC3)n1-c1ccccc1)sc1c2CCCCC1 ZINC000012783040 527455526 /nfs/dbraw/zinc/45/55/26/527455526.db2.gz SLEWEAOOSKDJPA-UHFFFAOYSA-N 0 0 441.622 4.140 50 0 IIAARN O=c1c2c3c(sc2nc(S[C@@H]2CCCCNC2=O)n1Cc1ccccc1)CCCC3 ZINC000013006630 527458902 /nfs/dbraw/zinc/45/89/02/527458902.db2.gz PBMJLDUQCISAEU-GOSISDBHSA-N 0 0 439.606 4.146 50 0 IIAARN Cn1cnc2cc(-c3noc(-c4ccc(CS(=O)(=O)Cc5ccccc5)cc4)n3)ccc21 ZINC000035453220 527496042 /nfs/dbraw/zinc/49/60/42/527496042.db2.gz RPHALSLDUPQVFT-UHFFFAOYSA-N 0 0 444.516 4.405 50 0 IIAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012799727 527515904 /nfs/dbraw/zinc/51/59/04/527515904.db2.gz MDZYMLFTVGIOMM-UHFFFAOYSA-N 0 0 449.518 4.275 50 0 IIAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017201224 527516762 /nfs/dbraw/zinc/51/67/62/527516762.db2.gz YLRYCBRVZMSMCN-LBPRGKRZSA-N 0 0 441.987 4.193 50 0 IIAARN O=C(NC1CCCCC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000034839099 527518257 /nfs/dbraw/zinc/51/82/57/527518257.db2.gz LGALWGDVPLZSGS-UHFFFAOYSA-N 0 0 433.531 4.158 50 0 IIAARN O=C(NC1CCCCCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458615 527520424 /nfs/dbraw/zinc/52/04/24/527520424.db2.gz ODBKFIQPWCEFNQ-XMMPIXPASA-N 0 0 445.563 4.291 50 0 IIAARN O=C(NC1CCCCCC1)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035458960 527520820 /nfs/dbraw/zinc/52/08/20/527520820.db2.gz DBQFCASZKBLVFH-XMMPIXPASA-N 0 0 445.563 4.291 50 0 IIAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000021100864 527536926 /nfs/dbraw/zinc/53/69/26/527536926.db2.gz IPQLEQPEWOBFQH-UHFFFAOYSA-N 0 0 429.480 4.064 50 0 IIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ncn(Cc4ccccc4Cl)n3)sc21 ZINC000020616191 527550290 /nfs/dbraw/zinc/55/02/90/527550290.db2.gz NMURXWYIICSKGY-UHFFFAOYSA-N 0 0 440.838 4.199 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)CC(C)C)CC3)c12 ZINC000035912721 527554859 /nfs/dbraw/zinc/55/48/59/527554859.db2.gz KSNHYUNMBGLYQS-UHFFFAOYSA-N 0 0 448.615 4.407 50 0 IIAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCCN(C(=O)c4ccccc4)CC3)c12 ZINC000036019696 527564641 /nfs/dbraw/zinc/56/46/41/527564641.db2.gz VEUJCXVNQGALFR-UHFFFAOYSA-N 0 0 440.551 4.093 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000015670143 527574538 /nfs/dbraw/zinc/57/45/38/527574538.db2.gz JVVMSZINZCKKND-KRWDZBQOSA-N 0 0 432.434 4.093 50 0 IIAARN Nn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1F ZINC000008987378 527584222 /nfs/dbraw/zinc/58/42/22/527584222.db2.gz NEURNNGXMILJIF-LJQANCHMSA-N 0 0 437.475 4.409 50 0 IIAARN O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000012766046 527611906 /nfs/dbraw/zinc/61/19/06/527611906.db2.gz WRZHPXYPGIIPSD-FMIVXFBMSA-N 0 0 425.535 4.002 50 0 IIAARN O=C(/C=C/c1cccc(F)c1F)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 ZINC000014992332 527626125 /nfs/dbraw/zinc/62/61/25/527626125.db2.gz GTTMDCRGSLCVKC-JFDDCEBESA-N 0 0 427.838 4.208 50 0 IIAARN O=C(/C=C/c1ccccn1)N1CCC[C@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000012203285 527637163 /nfs/dbraw/zinc/63/71/63/527637163.db2.gz VSOQWTWHHARJSQ-HYSAVQALSA-N 0 0 428.492 4.159 50 0 IIAARN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012324449 527656378 /nfs/dbraw/zinc/65/63/78/527656378.db2.gz RGDXRVVMUCXYIF-LJQANCHMSA-N 0 0 432.293 4.017 50 0 IIAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(c2ccccn2)CC1 ZINC000020677357 527656613 /nfs/dbraw/zinc/65/66/13/527656613.db2.gz XTPZBRCYXUAKHI-RUZDIDTESA-N 0 0 442.519 4.090 50 0 IIAARN FC(F)(F)Oc1ccc(-n2nnnc2SCc2nccn2Cc2ccccc2)cc1 ZINC000040067310 527675724 /nfs/dbraw/zinc/67/57/24/527675724.db2.gz RPLMJNHDSKKROQ-UHFFFAOYSA-N 0 0 432.431 4.098 50 0 IIAARN CCN(C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)c1cccc(C)c1 ZINC000008591464 535689175 /nfs/dbraw/zinc/68/91/75/535689175.db2.gz SQFVSOWGXCOELS-LJQANCHMSA-N 0 0 432.572 4.131 50 0 IIAARN CCN(C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)c1ccccc1C ZINC000009211186 535689432 /nfs/dbraw/zinc/68/94/32/535689432.db2.gz NDGPVRGLOMWRLB-LJQANCHMSA-N 0 0 432.572 4.131 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(F)c3)CC2)c2cc(C)ccc2O1 ZINC000008588586 536116748 /nfs/dbraw/zinc/11/67/48/536116748.db2.gz NVBZHHMQIMKVFE-NRFANRHFSA-N 0 0 439.531 4.260 50 0 aggregator IIAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccccc2Cl)cc1 ZINC000003665818 536183884 /nfs/dbraw/zinc/18/38/84/536183884.db2.gz YOFAPBTVDRQZSY-XMMPIXPASA-N 0 0 435.911 4.416 50 0 IIAARN CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@@H](C)CC)cc1 ZINC000002457862 536183985 /nfs/dbraw/zinc/18/39/85/536183985.db2.gz DVSQOHIVWVJDHS-ZSEKCTLFSA-N 0 0 446.345 4.123 50 0 IIAARN COc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1 ZINC000009609053 536511268 /nfs/dbraw/zinc/51/12/68/536511268.db2.gz JJCCDRGVTHNPNN-UHFFFAOYSA-N 0 0 443.956 4.490 50 0 IIAARN COC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCOCC1 ZINC000009906137 536528228 /nfs/dbraw/zinc/52/82/28/536528228.db2.gz TXKBDQSOMHJWOR-UHFFFAOYSA-N 0 0 430.504 4.080 50 0 IIAARN COC(=O)c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1N1CCOCC1 ZINC000009906135 536564469 /nfs/dbraw/zinc/56/44/69/536564469.db2.gz VJVAGYQCFXWRKO-UHFFFAOYSA-N 0 0 430.913 4.430 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000010542152 536969379 /nfs/dbraw/zinc/96/93/79/536969379.db2.gz SRWGAMNJQKXXHS-KDURUIRLSA-N 0 0 436.552 4.457 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000010542214 536969401 /nfs/dbraw/zinc/96/94/01/536969401.db2.gz AQPGFENHZOAAMI-UHFFFAOYSA-N 0 0 425.488 4.046 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000010542154 536969432 /nfs/dbraw/zinc/96/94/32/536969432.db2.gz SRWGAMNJQKXXHS-OALUTQOASA-N 0 0 436.552 4.457 50 0 IIAARN COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)cc1 ZINC000000622583 555511124 /nfs/dbraw/zinc/51/11/24/555511124.db2.gz ZKJUYNOJSIKJIY-FGRIZXQQSA-N 0 0 429.516 4.147 50 0 IIAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)c(COc2c(C)cccc2C)c1 ZINC000000625179 555512428 /nfs/dbraw/zinc/51/24/28/555512428.db2.gz IRDNIDZPJJLDFG-OAQYLSRUSA-N 0 0 440.565 4.247 50 0 IIAARN Cc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000638215 555517298 /nfs/dbraw/zinc/51/72/98/555517298.db2.gz XXCCLFJFLHQJSE-UHFFFAOYSA-N 0 0 446.931 4.299 50 0 IIAARN CCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1OCC ZINC000000653235 555523760 /nfs/dbraw/zinc/52/37/60/555523760.db2.gz ZIXIHIMMEWWUDN-UHFFFAOYSA-N 0 0 438.549 4.416 50 0 IIAARN CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000000654142 555524125 /nfs/dbraw/zinc/52/41/25/555524125.db2.gz MVNMEYORTHEABS-GOSISDBHSA-N 0 0 429.586 4.348 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C2CCCCC2)cc1 ZINC000009254313 555527403 /nfs/dbraw/zinc/52/74/03/555527403.db2.gz MHZZLEHEJJURQD-UHFFFAOYSA-N 0 0 428.554 4.008 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1)c1ccccc1 ZINC000000665083 555528012 /nfs/dbraw/zinc/52/80/12/555528012.db2.gz RIKKQBVNSPKFIQ-OAHLLOKOSA-N 0 0 446.475 4.022 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000000665520 555528277 /nfs/dbraw/zinc/52/82/77/555528277.db2.gz IILRWQNLTJAOGK-UHFFFAOYSA-N 0 0 446.912 4.410 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000000669046 555530247 /nfs/dbraw/zinc/53/02/47/555530247.db2.gz MAIAZVDVDFDNIQ-KVEVGEHQSA-N 0 0 426.538 4.379 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCCC2 ZINC000000670317 555530758 /nfs/dbraw/zinc/53/07/58/555530758.db2.gz WPZTVMZYDFKHNX-UHFFFAOYSA-N 0 0 433.526 4.472 50 0 IIAARN CC(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000674773 555533716 /nfs/dbraw/zinc/53/37/16/555533716.db2.gz GJNKCVILJLUVAW-KGLIPLIRSA-N 0 0 431.256 4.444 50 0 IIAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(OC)ccc1OC ZINC000000684364 555539202 /nfs/dbraw/zinc/53/92/02/555539202.db2.gz CDPVYCIOKAJKLS-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000000717391 555549124 /nfs/dbraw/zinc/54/91/24/555549124.db2.gz MIAWUMQLBYYOFV-PKTZIBPZSA-N 0 0 445.471 4.185 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000718618 555549391 /nfs/dbraw/zinc/54/93/91/555549391.db2.gz NILNIUDXLTZPOM-UHFFFAOYSA-N 0 0 430.844 4.360 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000000799065 555558652 /nfs/dbraw/zinc/55/86/52/555558652.db2.gz FRQGKUVDFHQRAU-UHFFFAOYSA-N 0 0 440.381 4.454 50 0 IIAARN O=C(NCc1cccnc1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000825555 555564803 /nfs/dbraw/zinc/56/48/03/555564803.db2.gz NICGVJLFFVHZSG-UHFFFAOYSA-N 0 0 431.805 4.394 50 0 IIAARN CCOc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000000833421 555566620 /nfs/dbraw/zinc/56/66/20/555566620.db2.gz GFFRVNHSDQSHPS-UHFFFAOYSA-N 0 0 440.521 4.282 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3n2)cc1OC ZINC000000845000 555568967 /nfs/dbraw/zinc/56/89/67/555568967.db2.gz LLQHVGBQZIHMHI-UHFFFAOYSA-N 0 0 448.445 4.495 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000000852386 555570727 /nfs/dbraw/zinc/57/07/27/555570727.db2.gz GTWDSUQVFSZLKQ-OAQYLSRUSA-N 0 0 434.517 4.242 50 0 IIAARN COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1OC ZINC000000867228 555574270 /nfs/dbraw/zinc/57/42/70/555574270.db2.gz MEAHOBVOLUAMBK-SFHVURJKSA-N 0 0 431.945 4.097 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(C)cc2)cc1 ZINC000000877072 555576457 /nfs/dbraw/zinc/57/64/57/555576457.db2.gz RZTYYASNLLKZRU-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(OC)c1 ZINC000000897148 555580289 /nfs/dbraw/zinc/58/02/89/555580289.db2.gz FRCAXELCFHDXAM-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN Cc1cc(C)n(C[C@H](O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000000895740 555580356 /nfs/dbraw/zinc/58/03/56/555580356.db2.gz WHVQUFOUFLVPRB-DEOSSOPVSA-N 0 0 449.576 4.218 50 0 IIAARN O=C(c1cccc2ccccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000000899755 555580822 /nfs/dbraw/zinc/58/08/22/555580822.db2.gz YFTRNFLEHTWKML-UHFFFAOYSA-N 0 0 430.529 4.140 50 0 IIAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000903490 555581568 /nfs/dbraw/zinc/58/15/68/555581568.db2.gz PCMSRDCLMLSJLH-UHFFFAOYSA-N 0 0 447.358 4.370 50 0 IIAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1Br ZINC000000903497 555581706 /nfs/dbraw/zinc/58/17/06/555581706.db2.gz IFXVWKRDUFFZDX-UHFFFAOYSA-N 0 0 447.358 4.370 50 0 IIAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 ZINC000000908257 555582286 /nfs/dbraw/zinc/58/22/86/555582286.db2.gz TXOLFLCPXRFMAI-KRWDZBQOSA-N 0 0 428.554 4.187 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000000917757 555583733 /nfs/dbraw/zinc/58/37/33/555583733.db2.gz QHIZZXCUVSSGTH-UHFFFAOYSA-N 0 0 449.511 4.394 50 0 IIAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000009633500 555585386 /nfs/dbraw/zinc/58/53/86/555585386.db2.gz RJYPEEAVVLLMCE-YJJOXIQCSA-N 0 0 436.533 4.388 50 0 IIAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939982 555586779 /nfs/dbraw/zinc/58/67/79/555586779.db2.gz FXKRWKBUVCDTDT-UHFFFAOYSA-N 0 0 438.354 4.048 50 0 biogenic IIAARN Cc1cc(I)ccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000000943215 555587362 /nfs/dbraw/zinc/58/73/62/555587362.db2.gz LTYHAUWIMHJWNL-HNNXBMFYSA-N 0 0 438.290 4.041 50 0 IIAARN Cc1cc(C)c(-n2nnnc2SCc2cccc(I)c2)c(C)c1 ZINC000000977628 555592664 /nfs/dbraw/zinc/59/26/64/555592664.db2.gz GEHVLPAYOBTIMA-UHFFFAOYSA-N 0 0 436.322 4.484 50 0 IIAARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000000979826 555593092 /nfs/dbraw/zinc/59/30/92/555593092.db2.gz PEGIRFMXKVZJSR-ZRRZQRFHSA-N 0 0 427.906 4.125 50 0 IIAARN CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000982943 555593902 /nfs/dbraw/zinc/59/39/02/555593902.db2.gz ILJSAEXZVXPDNK-UHFFFAOYSA-N 0 0 441.258 4.271 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000000983511 555594212 /nfs/dbraw/zinc/59/42/12/555594212.db2.gz ULVXWUQZLNUUEA-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN Cc1nc(SCC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)n(Cc2ccccc2)c1C ZINC000000984823 555594416 /nfs/dbraw/zinc/59/44/16/555594416.db2.gz CUIFJKUAJBUUBS-UHFFFAOYSA-N 0 0 446.576 4.321 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001033013 555606508 /nfs/dbraw/zinc/60/65/08/555606508.db2.gz GKBIEMYBFOWKRW-UHFFFAOYSA-N 0 0 434.514 4.044 50 0 IIAARN COC(=O)c1sc(SC)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)c1C ZINC000001037599 555608775 /nfs/dbraw/zinc/60/87/75/555608775.db2.gz NCCSTXKOECQJJG-UHFFFAOYSA-N 0 0 442.971 4.319 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001046894 555611224 /nfs/dbraw/zinc/61/12/24/555611224.db2.gz MMNVZLJZTMBSGA-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000001052975 555613945 /nfs/dbraw/zinc/61/39/45/555613945.db2.gz XEEMITAGKWAECL-UHFFFAOYSA-N 0 0 437.315 4.377 50 0 IIAARN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1OC ZINC000001057870 555615172 /nfs/dbraw/zinc/61/51/72/555615172.db2.gz JBUZMYMUGINMCX-UHFFFAOYSA-N 0 0 440.521 4.374 50 0 IIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000001060483 555616014 /nfs/dbraw/zinc/61/60/14/555616014.db2.gz XYKGRBXVGFQQCZ-UHFFFAOYSA-N 0 0 436.867 4.452 50 0 IIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000001064642 555617540 /nfs/dbraw/zinc/61/75/40/555617540.db2.gz SUZBKSOQLVVANQ-UHFFFAOYSA-N 0 0 446.488 4.096 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)cc1Br ZINC000001064729 555617668 /nfs/dbraw/zinc/61/76/68/555617668.db2.gz DACXNFAFVTWHNW-UHFFFAOYSA-N 0 0 431.330 4.319 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000001065626 555618133 /nfs/dbraw/zinc/61/81/33/555618133.db2.gz WJZCVBISZVWBGS-UHFFFAOYSA-N 0 0 434.561 4.313 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000001065519 555618229 /nfs/dbraw/zinc/61/82/29/555618229.db2.gz CKBXEIJXYSPAGT-OAHLLOKOSA-N 0 0 430.913 4.438 50 0 IIAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Br)s2)NC(=O)N1C ZINC000001082705 555626275 /nfs/dbraw/zinc/62/62/75/555626275.db2.gz JPXOMGQGEYJYOD-QGZVFWFLSA-N 0 0 435.343 4.267 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000001085857 555626652 /nfs/dbraw/zinc/62/66/52/555626652.db2.gz AWOILOWDMAVSEW-LBPRGKRZSA-N 0 0 428.888 4.434 50 0 IIAARN Cc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br ZINC000001110241 555631116 /nfs/dbraw/zinc/63/11/16/555631116.db2.gz WSIAVINJPMNCTR-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001110691 555631413 /nfs/dbraw/zinc/63/14/13/555631413.db2.gz LGOFWGGZMXGGCB-UHFFFAOYSA-N 0 0 438.505 4.086 50 0 IIAARN O=C(CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1)N1CCCC1 ZINC000001111610 555631948 /nfs/dbraw/zinc/63/19/48/555631948.db2.gz APHLVHDPLQBVKS-UHFFFAOYSA-N 0 0 426.973 4.420 50 0 IIAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 ZINC000001117939 555635541 /nfs/dbraw/zinc/63/55/41/555635541.db2.gz KZPMSURQZBFWFB-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN CCOC(=O)c1c(NC(=S)NCCc2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000001118938 555636091 /nfs/dbraw/zinc/63/60/91/555636091.db2.gz FZIAYQHQCZCQPY-UHFFFAOYSA-N 0 0 448.610 4.350 50 0 IIAARN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000001119372 555636395 /nfs/dbraw/zinc/63/63/95/555636395.db2.gz YEFYTBXZVYGESB-UHFFFAOYSA-N 0 0 440.590 4.458 50 0 IIAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(NC(=O)COc3cc(C)ccc3C)n2)c1 ZINC000001122690 555638768 /nfs/dbraw/zinc/63/87/68/555638768.db2.gz CKIBQTHTDQKPBF-UHFFFAOYSA-N 0 0 433.508 4.350 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000001123439 555639142 /nfs/dbraw/zinc/63/91/42/555639142.db2.gz UOMVRBWQIWSOJO-SECBINFHSA-N 0 0 437.359 4.304 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c(Br)cc1O ZINC000001142611 555650913 /nfs/dbraw/zinc/65/09/13/555650913.db2.gz OMJVKRXEFIFXRL-PXNMLYILSA-N 0 0 436.283 4.413 50 0 IIAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccco1 ZINC000001143393 555651514 /nfs/dbraw/zinc/65/15/14/555651514.db2.gz IGBGUJLKLDHVJU-UHFFFAOYSA-N 0 0 429.432 4.307 50 0 aggregator IIAARN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001148505 555654980 /nfs/dbraw/zinc/65/49/80/555654980.db2.gz KPGNJUAQBPFGFU-UHFFFAOYSA-N 0 0 441.505 4.008 50 0 IIAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccs4)cc3n2)cc1Cl ZINC000001151779 555656687 /nfs/dbraw/zinc/65/66/87/555656687.db2.gz VGWSYAFOSPURMM-UHFFFAOYSA-N 0 0 443.941 4.271 50 0 IIAARN O=C(c1ccc(F)cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001152061 555656863 /nfs/dbraw/zinc/65/68/63/555656863.db2.gz JSFNLGVPEVXFGR-MRXNPFEDSA-N 0 0 431.183 4.089 50 0 IIAARN COc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000001152738 555657351 /nfs/dbraw/zinc/65/73/51/555657351.db2.gz HGXJZAYJZWMRKK-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(C=C(NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000001156901 555659527 /nfs/dbraw/zinc/65/95/27/555659527.db2.gz GYZSWRBECPUBOJ-JLPGSUDCSA-N 0 0 444.487 4.316 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001158364 555660198 /nfs/dbraw/zinc/66/01/98/555660198.db2.gz CLDIQKYHKMOSIM-UHFFFAOYSA-N 0 0 433.526 4.335 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000001158527 555660552 /nfs/dbraw/zinc/66/05/52/555660552.db2.gz NYRZSNZWEWHGOO-UHFFFAOYSA-N 0 0 436.430 4.214 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 ZINC000001161188 555661765 /nfs/dbraw/zinc/66/17/65/555661765.db2.gz KJQTWHXDZNGJHB-HSZRJFAPSA-N 0 0 436.305 4.457 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001171519 555666934 /nfs/dbraw/zinc/66/69/34/555666934.db2.gz JQELUJOXCXMHQE-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN O=S(=O)(Nc1ccc2c3c(cccc31)CC2)c1ccc(I)cc1 ZINC000001183360 555673013 /nfs/dbraw/zinc/67/30/13/555673013.db2.gz LEBHNJOXIOQRBI-UHFFFAOYSA-N 0 0 435.286 4.344 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1c3ccccc3C2(CO)c2ccccc21 ZINC000001195005 555676341 /nfs/dbraw/zinc/67/63/41/555676341.db2.gz AWCKCQMBGQNQFE-OKHMJZBSSA-N 0 0 431.491 4.383 50 0 IIAARN COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCCC2)cc1OC ZINC000001211265 555682197 /nfs/dbraw/zinc/68/21/97/555682197.db2.gz CJGBVICKZACMST-LTGZKZEYSA-N 0 0 436.552 4.395 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000001210597 555682215 /nfs/dbraw/zinc/68/22/15/555682215.db2.gz SMJLGLRQJHZXIN-UHFFFAOYSA-N 0 0 438.299 4.481 50 0 IIAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000001217204 555684517 /nfs/dbraw/zinc/68/45/17/555684517.db2.gz XUEVWUBLCJGSLI-IBGZPJMESA-N 0 0 431.945 4.097 50 0 IIAARN Cc1ccc(NC(=O)c2ccn(C(=O)c3cccc(I)c3)n2)c(C)c1 ZINC000001217432 555684537 /nfs/dbraw/zinc/68/45/37/555684537.db2.gz HPBIJUGKNNKDBT-UHFFFAOYSA-N 0 0 445.260 4.045 50 0 IIAARN CCc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000046153839 555696226 /nfs/dbraw/zinc/69/62/26/555696226.db2.gz DEAAXSQWXGXKGA-UHFFFAOYSA-N 0 0 432.427 4.226 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3oc(-c4ccco4)cc(=O)c3c2)cc1 ZINC000001978239 555727018 /nfs/dbraw/zinc/72/70/18/555727018.db2.gz IBONEAKIMIBXCY-UHFFFAOYSA-N 0 0 433.416 4.247 50 0 IIAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002060712 555731702 /nfs/dbraw/zinc/73/17/02/555731702.db2.gz JXOHEUIELJAASQ-YQORSWRPSA-N 0 0 446.300 4.295 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2)cc1 ZINC000002085278 555739778 /nfs/dbraw/zinc/73/97/78/555739778.db2.gz RPHFIZCWDRAUMP-UHFFFAOYSA-N 0 0 432.586 4.077 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccc(Br)o2)cc1 ZINC000002116050 555744938 /nfs/dbraw/zinc/74/49/38/555744938.db2.gz IMOICXAUFFXIGX-LGMDPLHJSA-N 0 0 441.281 4.460 50 0 IIAARN CCCCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCC)c3nc4ccccc4nc32)cc1 ZINC000002195756 555756838 /nfs/dbraw/zinc/75/68/38/555756838.db2.gz SCNLMFAYUWQSPB-UHFFFAOYSA-N 0 0 445.523 4.253 50 0 IIAARN Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000002207439 555758099 /nfs/dbraw/zinc/75/80/99/555758099.db2.gz QZUMMPNTIVYQEN-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1cccs1)Nc1ccc(F)cc1 ZINC000002210251 555758320 /nfs/dbraw/zinc/75/83/20/555758320.db2.gz GMLVAFMJCAXXSD-IBGZPJMESA-N 0 0 439.537 4.418 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1Cl ZINC000002264644 555763734 /nfs/dbraw/zinc/76/37/34/555763734.db2.gz OEOIFBPTKMHVSH-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccn2)cc1 ZINC000002324346 555768566 /nfs/dbraw/zinc/76/85/66/555768566.db2.gz GWOPXRPZHFOAHF-UHFFFAOYSA-N 0 0 435.484 4.208 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 ZINC000002341534 555770208 /nfs/dbraw/zinc/77/02/08/555770208.db2.gz NRZHBWWSSZDWGF-UHFFFAOYSA-N 0 0 446.536 4.081 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000002448576 555780802 /nfs/dbraw/zinc/78/08/02/555780802.db2.gz KGRJPLDOLLWVKB-UHFFFAOYSA-N 0 0 435.940 4.391 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccco2)c1 ZINC000002453875 555782316 /nfs/dbraw/zinc/78/23/16/555782316.db2.gz BDGNDQVEYREQDO-UHFFFAOYSA-N 0 0 448.504 4.354 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Br)cc1 ZINC000002459159 555782953 /nfs/dbraw/zinc/78/29/53/555782953.db2.gz JSXBNSANWXTSNR-HSZRJFAPSA-N 0 0 436.305 4.457 50 0 IIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000002458614 555782955 /nfs/dbraw/zinc/78/29/55/555782955.db2.gz OXLNKVRARBMNQL-UHFFFAOYSA-N 0 0 434.514 4.044 50 0 IIAARN O=C(NCc1cccnc1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1 ZINC000034671348 555793190 /nfs/dbraw/zinc/79/31/90/555793190.db2.gz CRTKWJNJINMZMQ-DNQXCXABSA-N 0 0 428.536 4.061 50 0 IIAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N3CCN(C)CC3)cc2)cc1 ZINC000034675515 555794126 /nfs/dbraw/zinc/79/41/26/555794126.db2.gz MMCZNADFPYGMLC-UHFFFAOYSA-N 0 0 441.575 4.159 50 0 IIAARN Cc1ccc(Cn2c(C(=O)N3CCN(C)CC3)cc3sc(Br)cc32)cc1 ZINC000034678464 555797105 /nfs/dbraw/zinc/79/71/05/555797105.db2.gz AHZCYFLXWFJICY-UHFFFAOYSA-N 0 0 432.387 4.210 50 0 IIAARN COc1ccccc1/C=C/[C@@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SCCC(=O)N21 ZINC000002695826 555799801 /nfs/dbraw/zinc/79/98/01/555799801.db2.gz SLOGLAYDDALYLW-DRUFCSCSSA-N 0 0 448.544 4.430 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1 ZINC000002693684 555799814 /nfs/dbraw/zinc/79/98/14/555799814.db2.gz DBXZYHWBRXJJJB-UHFFFAOYSA-N 0 0 443.532 4.285 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000002741276 555807413 /nfs/dbraw/zinc/80/74/13/555807413.db2.gz KJYUDJFRFRSHGZ-UHFFFAOYSA-N 0 0 438.958 4.459 50 0 IIAARN COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c(C(N)=O)c1C ZINC000002752834 555810658 /nfs/dbraw/zinc/81/06/58/555810658.db2.gz FRNGCNQGBLOXTA-UHFFFAOYSA-N 0 0 449.488 4.311 50 0 IIAARN NC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 ZINC000002763096 555813366 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447.462 4.446 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 ZINC000002720632 556127096 /nfs/dbraw/zinc/12/70/96/556127096.db2.gz DLVOJMMGVBQRBW-UHFFFAOYSA-N 0 0 432.549 4.408 50 0 IIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723413 556128472 /nfs/dbraw/zinc/12/84/72/556128472.db2.gz KVHQXKOQPVFTTQ-UHFFFAOYSA-N 0 0 448.932 4.063 50 0 IIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=S)N=NC1c1ccnn1C ZINC000002730743 556134317 /nfs/dbraw/zinc/13/43/17/556134317.db2.gz MHORIRQVERAYDV-UHFFFAOYSA-N 0 0 434.356 4.125 50 0 IIAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3c4ccccc4C[C@@H]3C)c2n1 ZINC000002778733 556141285 /nfs/dbraw/zinc/14/12/85/556141285.db2.gz FOFQLVITZGGYFG-LBPRGKRZSA-N 0 0 440.429 4.048 50 0 IIAARN COc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002800235 556142096 /nfs/dbraw/zinc/14/20/96/556142096.db2.gz UMHZSUIUWHLLTF-UHFFFAOYSA-N 0 0 445.880 4.162 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002809160 556146917 /nfs/dbraw/zinc/14/69/17/556146917.db2.gz MLFZMUJQZSVPND-UHFFFAOYSA-N 0 0 429.366 4.338 50 0 IIAARN Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002808921 556147019 /nfs/dbraw/zinc/14/70/19/556147019.db2.gz MJIAYELKNOEGGN-LLVKDONJSA-N 0 0 446.824 4.250 50 0 IIAARN COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2C)c1 ZINC000003031148 556157959 /nfs/dbraw/zinc/15/79/59/556157959.db2.gz JIDVLAFSUWFNKN-UHFFFAOYSA-N 0 0 442.512 4.182 50 0 IIAARN CCn1c(SCC(=O)Nc2nnc(-c3cccs3)s2)nnc1-c1cccs1 ZINC000008383005 556158878 /nfs/dbraw/zinc/15/88/78/556158878.db2.gz LRNKNPGMMOFQIR-UHFFFAOYSA-N 0 0 434.597 4.337 50 0 IIAARN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 ZINC000008384053 556160053 /nfs/dbraw/zinc/16/00/53/556160053.db2.gz ACNLZVAZHSVDMZ-LJQANCHMSA-N 0 0 445.471 4.267 50 0 IIAARN COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 ZINC000008384063 556160088 /nfs/dbraw/zinc/16/00/88/556160088.db2.gz ACNLZVAZHSVDMZ-IBGZPJMESA-N 0 0 445.471 4.267 50 0 IIAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008396072 556163308 /nfs/dbraw/zinc/16/33/08/556163308.db2.gz YEKIQUCUKJZFOC-NDENLUEZSA-N 0 0 441.411 4.077 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O ZINC000008396054 556163360 /nfs/dbraw/zinc/16/33/60/556163360.db2.gz PLRGAKSXKFVBCQ-ZRRZQRFHSA-N 0 0 427.906 4.124 50 0 IIAARN CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000008448106 556180473 /nfs/dbraw/zinc/18/04/73/556180473.db2.gz VRVDIXOJHWOXSI-UHFFFAOYSA-N 0 0 443.471 4.173 50 0 IIAARN O=C(Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000008449945 556181076 /nfs/dbraw/zinc/18/10/76/556181076.db2.gz BXQIYUSRIXWKHU-SLDRDFCHSA-N 0 0 440.293 4.204 50 0 IIAARN O=C(COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000008452710 556183045 /nfs/dbraw/zinc/18/30/45/556183045.db2.gz GYQWMSUAURVUMB-XSFVSMFZSA-N 0 0 447.878 4.455 50 0 IIAARN C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008587360 556188311 /nfs/dbraw/zinc/18/83/11/556188311.db2.gz BUOBCPOGQNZAKC-SECBINFHSA-N 0 0 431.867 4.440 50 0 IIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 ZINC000008591905 556189263 /nfs/dbraw/zinc/18/92/63/556189263.db2.gz AKWWZLGWBPUPAJ-JOCHJYFZSA-N 0 0 447.491 4.435 50 0 IIAARN COc1ccc(CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599890 556191011 /nfs/dbraw/zinc/19/10/11/556191011.db2.gz VWLACYIGFFDLES-QHCPKHFHSA-N 0 0 443.503 4.104 50 0 IIAARN Cc1cc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)ccc1Cl ZINC000008705728 556201110 /nfs/dbraw/zinc/20/11/10/556201110.db2.gz PIFOJWZCLBAMBJ-UHFFFAOYSA-N 0 0 428.945 4.037 50 0 IIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)o3)C2=O)cc1C ZINC000008722452 556203438 /nfs/dbraw/zinc/20/34/38/556203438.db2.gz GUQHMIAYXIADFY-RIYZIHGNSA-N 0 0 435.299 4.334 50 0 IIAARN CCn1c(/C=C/c2ccc(OC)cc2)nc2ccc(I)cc2c1=O ZINC000008738103 556205101 /nfs/dbraw/zinc/20/51/01/556205101.db2.gz IIGJTMLICCILIS-IZZDOVSWSA-N 0 0 432.261 4.200 50 0 IIAARN CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)ccc1O ZINC000008845136 556226883 /nfs/dbraw/zinc/22/68/83/556226883.db2.gz SFKGRUFVFOCXCX-DEOSSOPVSA-N 0 0 442.475 4.027 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)OCO2 ZINC000008922056 556233801 /nfs/dbraw/zinc/23/38/01/556233801.db2.gz CBGFVMHPZZGWMO-DEOSSOPVSA-N 0 0 435.863 4.076 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1OC ZINC000008927815 556235021 /nfs/dbraw/zinc/23/50/21/556235021.db2.gz OITFOJRUSPOSHH-MHZLTWQESA-N 0 0 445.515 4.328 50 0 IIAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000008927824 556235029 /nfs/dbraw/zinc/23/50/29/556235029.db2.gz GODKRHVVPVVLME-HHHXNRCGSA-N 0 0 443.499 4.082 50 0 IIAARN CC(C)CCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000009067263 556244883 /nfs/dbraw/zinc/24/48/83/556244883.db2.gz OJATVTJDPVKGII-RTFZILSDSA-N 0 0 444.553 4.413 50 0 biogenic IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1F ZINC000009129682 556248895 /nfs/dbraw/zinc/24/88/95/556248895.db2.gz SYMGEYDYELLMNW-UHFFFAOYSA-N 0 0 425.485 4.228 50 0 IIAARN CCCCCn1c(NCCC(c2ccccc2)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009190509 556252898 /nfs/dbraw/zinc/25/28/98/556252898.db2.gz SPPSHBPYCBAGOL-UHFFFAOYSA-N 0 0 445.567 4.248 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197013 556255155 /nfs/dbraw/zinc/25/51/55/556255155.db2.gz MRRWYVGBVQZGTF-RTBURBONSA-N 0 0 427.961 4.454 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009197648 556255835 /nfs/dbraw/zinc/25/58/35/556255835.db2.gz AKPHMHCTNIWREC-RTWAWAEBSA-N 0 0 437.569 4.254 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 ZINC000009199797 556257426 /nfs/dbraw/zinc/25/74/26/556257426.db2.gz ZXEMCHGKLBOECT-INIZCTEOSA-N 0 0 436.537 4.326 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NC[C@H](C)c1ccccc1)nnc2C ZINC000009224485 556258035 /nfs/dbraw/zinc/25/80/35/556258035.db2.gz LSVNQXBHGFBVMW-INIZCTEOSA-N 0 0 431.565 4.444 50 0 IIAARN COc1cccc(NC(=O)Cn2c3cc(OC)ccc3cc(CNc3ccccc3)c2=O)c1 ZINC000009225130 556258932 /nfs/dbraw/zinc/25/89/32/556258932.db2.gz JEDBIWNFWQSPQL-UHFFFAOYSA-N 0 0 443.503 4.270 50 0 IIAARN COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000009225800 556259873 /nfs/dbraw/zinc/25/98/73/556259873.db2.gz CYPZWNAWTSVOCV-XMMPIXPASA-N 0 0 434.492 4.314 50 0 IIAARN O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)N1CCc2ccccc2C1 ZINC000009234012 556262791 /nfs/dbraw/zinc/26/27/91/556262791.db2.gz PZLUTKVAFMWBQC-HYARGMPZSA-N 0 0 428.513 4.461 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239262 556265601 /nfs/dbraw/zinc/26/56/01/556265601.db2.gz UYXBQBFFORCQDQ-SJORKVTESA-N 0 0 433.459 4.257 50 0 IIAARN COc1ccc(Cl)cc1Nc1nc(N)nc(CSC(=S)N2CCCC[C@@H]2C)n1 ZINC000009280967 556272218 /nfs/dbraw/zinc/27/22/18/556272218.db2.gz PXHJYSYQTXSUKJ-NSHDSACASA-N 0 0 439.010 4.252 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)c1 ZINC000009288059 556272469 /nfs/dbraw/zinc/27/24/69/556272469.db2.gz MSUHUBROKNVZDK-QFIPXVFZSA-N 0 0 429.476 4.061 50 0 IIAARN COc1cc(OC)c([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000009288520 556272878 /nfs/dbraw/zinc/27/28/78/556272878.db2.gz YYHSUSFEGNQJEH-JOCHJYFZSA-N 0 0 437.496 4.303 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009289581 556273733 /nfs/dbraw/zinc/27/37/33/556273733.db2.gz OCCCWZMUDPFDPT-INIZCTEOSA-N 0 0 427.917 4.054 50 0 IIAARN COc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1OC ZINC000009289734 556273794 /nfs/dbraw/zinc/27/37/94/556273794.db2.gz VRUCWDCQIMEJQG-UHFFFAOYSA-N 0 0 431.315 4.083 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 ZINC000009295099 556274868 /nfs/dbraw/zinc/27/48/68/556274868.db2.gz PBPXAGXAQLDINC-PMACEKPBSA-N 0 0 425.533 4.330 50 0 IIAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000009312133 556280514 /nfs/dbraw/zinc/28/05/14/556280514.db2.gz KDVPWISSJIJWPC-UHFFFAOYSA-N 0 0 438.871 4.214 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Oc2ccccc2)cc1 ZINC000013691683 556280992 /nfs/dbraw/zinc/28/09/92/556280992.db2.gz BCWVGNSLFUTQBO-UHFFFAOYSA-N 0 0 427.460 4.153 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccccc3)[C@@H]2C1 ZINC000009344253 556283386 /nfs/dbraw/zinc/28/33/86/556283386.db2.gz BNYXICNYSZGCFN-DLBZAZTESA-N 0 0 427.378 4.268 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)cc1 ZINC000009392164 556287492 /nfs/dbraw/zinc/28/74/92/556287492.db2.gz VXDBJYAGZMJPLZ-INIZCTEOSA-N 0 0 431.564 4.173 50 0 IIAARN O=C(CCn1ccc2cc(Br)ccc21)Nc1ccc(CN2CCOCC2)cc1 ZINC000013720309 556289342 /nfs/dbraw/zinc/28/93/42/556289342.db2.gz ODHJTYKUZHJWII-UHFFFAOYSA-N 0 0 442.357 4.265 50 0 IIAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1C ZINC000009424938 556289931 /nfs/dbraw/zinc/28/99/31/556289931.db2.gz WYGOZDQNOOINDZ-OEAKJJBVSA-N 0 0 428.513 4.353 50 0 IIAARN CCCc1cc(-c2nc(C)c(C(=O)NCCc3ccc(OC)c(OC)c3)s2)ccn1 ZINC000013722902 556291255 /nfs/dbraw/zinc/29/12/55/556291255.db2.gz CWJUZQFZPSVGTJ-UHFFFAOYSA-N 0 0 425.554 4.456 50 0 IIAARN C[C@@H](C(=O)c1ccc(Cl)cc1)[C@]1(O)c2ccccc2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000009448029 556292479 /nfs/dbraw/zinc/29/24/79/556292479.db2.gz ZYYIWUTUYLONKB-MQNRADLISA-N 0 0 449.890 4.322 50 0 IIAARN COc1ccc([C@H]2N=C(Nc3ccc(C(C)C)cc3)Nc3nc(C)cc(=O)n32)c(OC)c1 ZINC000009484046 556294298 /nfs/dbraw/zinc/29/42/98/556294298.db2.gz RJRRNCVOXHYHGN-QFIPXVFZSA-N 0 0 433.512 4.133 50 0 IIAARN O=S1(=O)C[C@H]2N=C(SCCCc3ccccc3)N(c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000013729597 556294364 /nfs/dbraw/zinc/29/43/64/556294364.db2.gz IDLQFKXHGCTHAA-RTBURBONSA-N 0 0 438.977 4.187 50 0 IIAARN COc1ccc2c(cc(C(=O)N[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)C(C)C)n2C)c1 ZINC000013729390 556294496 /nfs/dbraw/zinc/29/44/96/556294496.db2.gz NCOPYFAUEKSCDA-NRFANRHFSA-N 0 0 443.931 4.242 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cc(Cl)cc(Cl)c1 ZINC000013732992 556296519 /nfs/dbraw/zinc/29/65/19/556296519.db2.gz YJWPWMQZHFJBAG-UHFFFAOYSA-N 0 0 432.307 4.447 50 0 IIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 ZINC000009560020 556299203 /nfs/dbraw/zinc/29/92/03/556299203.db2.gz YJMXYZPLISFXDN-CQSZACIVSA-N 0 0 434.275 4.343 50 0 IIAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569608 556299839 /nfs/dbraw/zinc/29/98/39/556299839.db2.gz JGJVLRBNFRGUMZ-QGZVFWFLSA-N 0 0 429.542 4.065 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000009573981 556300049 /nfs/dbraw/zinc/30/00/49/556300049.db2.gz WBEDODDACLJXAT-UHFFFAOYSA-N 0 0 437.422 4.319 50 0 IIAARN COc1ccc(-c2nnc3sc(-c4ccc(F)c(Br)c4)nn32)cc1OC ZINC000009575858 556300082 /nfs/dbraw/zinc/30/00/82/556300082.db2.gz XDUOFYQTMMBNCY-UHFFFAOYSA-N 0 0 435.278 4.439 50 0 IIAARN Cc1cc(=O)c(C(=O)Nc2ccc(N3CCCC3)cc2)nn1-c1ccccc1C(F)(F)F ZINC000032744539 556304615 /nfs/dbraw/zinc/30/46/15/556304615.db2.gz BZBGFXRUAOYLHI-UHFFFAOYSA-N 0 0 442.441 4.412 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)COc1ccccc1C ZINC000009762216 556308311 /nfs/dbraw/zinc/30/83/11/556308311.db2.gz XIOQMWJNOQUWEK-UHFFFAOYSA-N 0 0 444.553 4.232 50 0 IIAARN O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000032738728 556308613 /nfs/dbraw/zinc/30/86/13/556308613.db2.gz KWRYVXXSJUYLLK-UHFFFAOYSA-N 0 0 446.374 4.442 50 0 IIAARN CC[C@H](Sc1nc2ncccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000009830388 556310707 /nfs/dbraw/zinc/31/07/07/556310707.db2.gz BUFYAQWENDVNHW-FQEVSTJZSA-N 0 0 446.532 4.299 50 0 IIAARN COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)c3ccc(C)cc3)cc2c1 ZINC000013805021 556311109 /nfs/dbraw/zinc/31/11/09/556311109.db2.gz VFAYYMQOKJKWBH-UHFFFAOYSA-N 0 0 428.488 4.457 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892311 556315304 /nfs/dbraw/zinc/31/53/04/556315304.db2.gz VSMOPPRCXNBELG-QFIPXVFZSA-N 0 0 447.466 4.201 50 0 IIAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C)cc2)c(OC)cc1Cl ZINC000009905540 556315924 /nfs/dbraw/zinc/31/59/24/556315924.db2.gz VRNJIRBDRIEAOD-HXUWFJFHSA-N 0 0 439.903 4.185 50 0 IIAARN Cc1ccc(Cl)c(O[C@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)c1 ZINC000013851263 556320563 /nfs/dbraw/zinc/32/05/63/556320563.db2.gz DQACQXVSUBNOEX-OAHLLOKOSA-N 0 0 430.961 4.325 50 0 IIAARN COc1c(Br)c2ccccc2cc1C(=O)NCCCNC(=O)c1cccs1 ZINC000013858121 556321731 /nfs/dbraw/zinc/32/17/31/556321731.db2.gz ULEGXDJBSHXHOM-UHFFFAOYSA-N 0 0 447.354 4.222 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(Cl)cc4)c3)nn12 ZINC000010010344 556322153 /nfs/dbraw/zinc/32/21/53/556322153.db2.gz HBMCSSWMHUHVCS-UHFFFAOYSA-N 0 0 443.916 4.095 50 0 IIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753640 556322859 /nfs/dbraw/zinc/32/28/59/556322859.db2.gz ZDFLDSNWRILRES-DHIUTWEWSA-N 0 0 432.520 4.178 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000004325359 556323352 /nfs/dbraw/zinc/32/33/52/556323352.db2.gz FYHTYUXWMHZIRA-VAMGGRTRSA-N 0 0 440.286 4.440 50 0 IIAARN CC1CCN(c2nnc(SCc3nc(-c4ccco4)no3)n2Cc2ccco2)CC1 ZINC000032754575 556323735 /nfs/dbraw/zinc/32/37/35/556323735.db2.gz WDNSVXPPJCCEQH-UHFFFAOYSA-N 0 0 426.502 4.091 50 0 IIAARN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c[nH]c21 ZINC000013880501 556325953 /nfs/dbraw/zinc/32/59/53/556325953.db2.gz WJHJKZGJYOBUMQ-ODLFYWEKSA-N 0 0 435.505 4.414 50 0 IIAARN O=C(Nc1ccc2c(c1)CCC2)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000013882266 556326527 /nfs/dbraw/zinc/32/65/27/556326527.db2.gz NAQIGFCZTPSYQM-BXBLUCELSA-N 0 0 441.373 4.464 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000032768463 556333304 /nfs/dbraw/zinc/33/33/04/556333304.db2.gz YSGBYKLRVYOXHN-UHFFFAOYSA-N 0 0 446.945 4.303 50 0 IIAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000032769621 556334179 /nfs/dbraw/zinc/33/41/79/556334179.db2.gz KUCNAVODXJDKFT-UHFFFAOYSA-N 0 0 432.364 4.199 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000032772777 556335556 /nfs/dbraw/zinc/33/55/56/556335556.db2.gz WMUCVGYXPYGPNR-FQEVSTJZSA-N 0 0 426.929 4.106 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000032559901 556337960 /nfs/dbraw/zinc/33/79/60/556337960.db2.gz HACVBDRZMDDGTN-LJQANCHMSA-N 0 0 439.537 4.189 50 0 IIAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662697 556343879 /nfs/dbraw/zinc/34/38/79/556343879.db2.gz ROKIMKNFDNEECF-INIZCTEOSA-N 0 0 435.553 4.230 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000011664575 556345090 /nfs/dbraw/zinc/34/50/90/556345090.db2.gz LBXLAQJMVDJKCG-QHCPKHFHSA-N 0 0 441.528 4.306 50 0 IIAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CCn2ccnc2CC)C1 ZINC000011664389 556345253 /nfs/dbraw/zinc/34/52/53/556345253.db2.gz CHRADXZPIFOFMY-VWLOTQADSA-N 0 0 425.573 4.030 50 0 IIAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000011782705 556351440 /nfs/dbraw/zinc/35/14/40/556351440.db2.gz HBXZGJZVRBYFIN-DVECYGJZSA-N 0 0 444.572 4.176 50 0 IIAARN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000014010193 556354802 /nfs/dbraw/zinc/35/48/02/556354802.db2.gz JPGLBNWILIJOIH-NCUBORBFSA-N 0 0 445.878 4.188 50 0 IIAARN CSc1nnc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1-c1ccccc1C ZINC000011791463 556356100 /nfs/dbraw/zinc/35/61/00/556356100.db2.gz JGOIORCKQFDVRF-UHFFFAOYSA-N 0 0 446.580 4.089 50 0 IIAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCCCCC2)n1Cc1ccccc1)N(C)C ZINC000014022755 556357147 /nfs/dbraw/zinc/35/71/47/556357147.db2.gz YTJKJPNONQZPBB-AZUAARDMSA-N 0 0 429.634 4.222 50 0 IIAARN CCN1C(=O)C[C@](CC(=O)N(C)Cc2cccc3ccccc32)(c2ccccc2C)C1=O ZINC000011841330 556365187 /nfs/dbraw/zinc/36/51/87/556365187.db2.gz XCOPLDHRWPCDBG-HHHXNRCGSA-N 0 0 428.532 4.214 50 0 IIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccco1)Cc1ccccc1 ZINC000014118102 556371280 /nfs/dbraw/zinc/37/12/80/556371280.db2.gz ZROXCGBTOIHQAR-UHFFFAOYSA-N 0 0 449.488 4.379 50 0 IIAARN C[C@@H]1CN(Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C[C@H](C)O1 ZINC000014121422 556372280 /nfs/dbraw/zinc/37/22/80/556372280.db2.gz PMPJYKUYFWDNJA-TXEJJXNPSA-N 0 0 430.357 4.077 50 0 IIAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000014141921 556377310 /nfs/dbraw/zinc/37/73/10/556377310.db2.gz DAGHRYSDPZPGHC-SFHVURJKSA-N 0 0 425.514 4.065 50 0 IIAARN CCCCCN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014167380 556380126 /nfs/dbraw/zinc/38/01/26/556380126.db2.gz DKAOCGLKCVNGFF-UHFFFAOYSA-N 0 0 446.588 4.445 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(C(=O)CSc3nc4ccccc4s3)CC2)c(O)c1 ZINC000014168085 556380559 /nfs/dbraw/zinc/38/05/59/556380559.db2.gz CUXGKRKEPFSFKV-UHFFFAOYSA-N 0 0 441.578 4.280 50 0 IIAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)N(Cc1ccco1)C1=CCCCC1 ZINC000014169550 556380924 /nfs/dbraw/zinc/38/09/24/556380924.db2.gz POAZCLCFZIKDHR-UHFFFAOYSA-N 0 0 442.313 4.239 50 0 IIAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)CCc2c[nH]c4ccccc24)O3)n1 ZINC000011964604 556381433 /nfs/dbraw/zinc/38/14/33/556381433.db2.gz GFBBKHCWKVOLKQ-OAQYLSRUSA-N 0 0 426.520 4.294 50 0 IIAARN O=C(c1cccc(-c2ccccc2F)c1)N1CCC(=O)N(CCOc2ccccc2)CC1 ZINC000011976634 556383075 /nfs/dbraw/zinc/38/30/75/556383075.db2.gz PLIWBMMYAFZQMD-UHFFFAOYSA-N 0 0 432.495 4.246 50 0 IIAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)NCc3cccs3)cc12 ZINC000014186062 556385771 /nfs/dbraw/zinc/38/57/71/556385771.db2.gz UHBNAZXNRNESJL-HNNXBMFYSA-N 0 0 439.562 4.378 50 0 IIAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)c(C)c2)cc1OC ZINC000014187386 556386738 /nfs/dbraw/zinc/38/67/38/556386738.db2.gz UQSKZOANXDGRJD-QGZVFWFLSA-N 0 0 440.359 4.301 50 0 IIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000014189641 556387231 /nfs/dbraw/zinc/38/72/31/556387231.db2.gz PRQVBZGFJDEBKK-KRWDZBQOSA-N 0 0 438.524 4.410 50 0 IIAARN Cc1nc2scc(-c3cccs3)c2c(NCc2ccc(CS(N)(=O)=O)cc2)n1 ZINC000014196476 556387966 /nfs/dbraw/zinc/38/79/66/556387966.db2.gz NAJAWOFBWLQHFI-UHFFFAOYSA-N 0 0 430.580 4.129 50 0 IIAARN O=C(CSc1nnnn1C1CCCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014197885 556389344 /nfs/dbraw/zinc/38/93/44/556389344.db2.gz RYBPNYIWLZAKEA-OAHLLOKOSA-N 0 0 442.614 4.286 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1I ZINC000014200201 556390935 /nfs/dbraw/zinc/39/09/35/556390935.db2.gz BTXKYXJSGFKBEI-SFHVURJKSA-N 0 0 432.261 4.194 50 0 IIAARN CCC(=O)[C@H]1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000012049498 556392028 /nfs/dbraw/zinc/39/20/28/556392028.db2.gz YWHJUVMCJPRETP-INIZCTEOSA-N 0 0 429.948 4.343 50 0 IIAARN CCCOc1ccccc1OCC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O ZINC000014201826 556392335 /nfs/dbraw/zinc/39/23/35/556392335.db2.gz NGVMNBCDJVHKMH-UHFFFAOYSA-N 0 0 435.505 4.063 50 0 IIAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000032817681 556393393 /nfs/dbraw/zinc/39/33/93/556393393.db2.gz KJNLANMANXGMDN-UHFFFAOYSA-N 0 0 431.471 4.094 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(CSC)o3)C2)c1 ZINC000012056173 556394211 /nfs/dbraw/zinc/39/42/11/556394211.db2.gz LAYYTXNPWNEPMN-KRWDZBQOSA-N 0 0 430.570 4.100 50 0 IIAARN CS(=O)(=O)N(CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000014228604 556396088 /nfs/dbraw/zinc/39/60/88/556396088.db2.gz VFDHJFYQGDBGQT-QGZVFWFLSA-N 0 0 449.985 4.079 50 0 IIAARN O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000032818986 556396697 /nfs/dbraw/zinc/39/66/97/556396697.db2.gz GCCLJOAOYSADEO-INIZCTEOSA-N 0 0 429.250 4.264 50 0 IIAARN CSc1ncc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)n1-c1ccc(F)cc1 ZINC000032810740 556397511 /nfs/dbraw/zinc/39/75/11/556397511.db2.gz JHLNBFDZBYTOEV-UHFFFAOYSA-N 0 0 435.528 4.250 50 0 IIAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)s1 ZINC000012079621 556398522 /nfs/dbraw/zinc/39/85/22/556398522.db2.gz BLVOSABFFCZMIZ-KBXCAEBGSA-N 0 0 441.528 4.251 50 0 IIAARN C[C@@H](C1CC1)N(C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)C1CC1 ZINC000032814638 556400383 /nfs/dbraw/zinc/40/03/83/556400383.db2.gz LIGYTAUMNHODDY-ZDUSSCGKSA-N 0 0 435.977 4.224 50 0 IIAARN S=c1oc(-c2cccc(Cl)c2)nn1CN1CCC(c2nnc3ccccn32)CC1 ZINC000014241309 556401525 /nfs/dbraw/zinc/40/15/25/556401525.db2.gz KQSPZGRBMKSHAJ-UHFFFAOYSA-N 0 0 426.933 4.406 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)cc12 ZINC000014241447 556401739 /nfs/dbraw/zinc/40/17/39/556401739.db2.gz KCYLCXCTGONAIA-UHFFFAOYSA-N 0 0 448.614 4.391 50 0 IIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C(C)C)nc(N)n2)n1 ZINC000012373324 556403569 /nfs/dbraw/zinc/40/35/69/556403569.db2.gz OTZJDWCVGULCNT-HSZRJFAPSA-N 0 0 426.524 4.155 50 0 IIAARN CSc1nnc2c(n1)O[C@H](c1cn(C(C)=O)c3ccccc13)N(C(C)=O)c1ccccc1-2 ZINC000012380266 556403983 /nfs/dbraw/zinc/40/39/83/556403983.db2.gz USTJWQLCXFRSPD-JOCHJYFZSA-N 0 0 445.504 4.319 50 0 IIAARN CCOc1ccc(CN(C)Cn2nc([C@H]3COc4ccccc4O3)oc2=S)cc1OC ZINC000014244917 556404759 /nfs/dbraw/zinc/40/47/59/556404759.db2.gz RBZIAIDGRUYMBT-HXUWFJFHSA-N 0 0 443.525 4.215 50 0 IIAARN CCOc1ccccc1CNC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032578959 556406042 /nfs/dbraw/zinc/40/60/42/556406042.db2.gz RVMXPWIDMLXHCP-UHFFFAOYSA-N 0 0 429.476 4.498 50 0 IIAARN Cc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)c(C)c1 ZINC000032623848 556410954 /nfs/dbraw/zinc/41/09/54/556410954.db2.gz KCGFWLGPPHSFMC-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)cn1 ZINC000014268927 556411158 /nfs/dbraw/zinc/41/11/58/556411158.db2.gz GVDIZLKQSVKPBD-UHFFFAOYSA-N 0 0 445.479 4.106 50 0 IIAARN COc1ccc(-c2csc3ncn(C[C@H](O)COc4cc(C)ccc4C)c(=O)c23)cc1 ZINC000014303870 556412682 /nfs/dbraw/zinc/41/26/82/556412682.db2.gz ZNIMSSFTCJJIRI-SFHVURJKSA-N 0 0 436.533 4.190 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(C3OC(C)(C)C(C)(C)O3)c2)c(-n2cnnc2)c1 ZINC000032646721 556412853 /nfs/dbraw/zinc/41/28/53/556412853.db2.gz WYDAJUDYDXXGHH-UHFFFAOYSA-N 0 0 436.512 4.196 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1F ZINC000219356902 556413604 /nfs/dbraw/zinc/41/36/04/556413604.db2.gz ZZTRZFJUIFFIAH-LJQANCHMSA-N 0 0 431.501 4.372 50 0 IIAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)C1 ZINC000014359796 556414398 /nfs/dbraw/zinc/41/43/98/556414398.db2.gz JEQYMCDAOQWKPV-IYBDPMFKSA-N 0 0 425.529 4.121 50 0 IIAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 ZINC000014421383 556415619 /nfs/dbraw/zinc/41/56/19/556415619.db2.gz QTHMNHKJYCZYLV-UHFFFAOYSA-N 0 0 427.478 4.071 50 0 IIAARN CCCNC(=O)[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2O1 ZINC000032678588 556416211 /nfs/dbraw/zinc/41/62/11/556416211.db2.gz OPZZYYGPUHJPEW-DEOSSOPVSA-N 0 0 430.504 4.200 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 ZINC000012940286 556416533 /nfs/dbraw/zinc/41/65/33/556416533.db2.gz XRPOEWCLARGICW-HSZRJFAPSA-N 0 0 442.519 4.474 50 0 IIAARN CCOc1ccc([C@H](NS(=O)(=O)c2cc(NC(C)=O)ccc2C)C(C)C)cc1OCC ZINC000032837467 556418701 /nfs/dbraw/zinc/41/87/01/556418701.db2.gz DCDSMDZDUGOLTA-HSZRJFAPSA-N 0 0 448.585 4.426 50 0 IIAARN CCOc1cc2c(cc1NC(=O)c1cc(OC)c(Br)c(OC)c1)O[C@H](C)C2 ZINC000012975566 556421059 /nfs/dbraw/zinc/42/10/59/556421059.db2.gz WJYRCOGKUUZUQX-LLVKDONJSA-N 0 0 436.302 4.441 50 0 IIAARN COc1ccccc1[C@H](C)NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012975963 556421582 /nfs/dbraw/zinc/42/15/82/556421582.db2.gz ZHCYPMMHIRTICT-INIZCTEOSA-N 0 0 443.565 4.437 50 0 IIAARN NC(=O)Cc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)s1 ZINC000012975890 556421605 /nfs/dbraw/zinc/42/16/05/556421605.db2.gz SPCIXIHXGJPIBN-UHFFFAOYSA-N 0 0 425.560 4.423 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C(C)=O)cc1)CC2 ZINC000012978569 556423150 /nfs/dbraw/zinc/42/31/50/556423150.db2.gz DCNZZYSHBPTSHN-HHHXNRCGSA-N 0 0 444.531 4.493 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(NCCCOCC)s2)cc1 ZINC000012979567 556423704 /nfs/dbraw/zinc/42/37/04/556423704.db2.gz AUVDRCHCOXWNDS-AWEZNQCLSA-N 0 0 436.603 4.479 50 0 IIAARN 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4.400 50 0 IIAARN Clc1ccccc1-c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)s1 ZINC000029527618 556477536 /nfs/dbraw/zinc/47/75/36/556477536.db2.gz WAFXTIQYYDWCGN-UHFFFAOYSA-N 0 0 436.972 4.366 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000014997429 556478742 /nfs/dbraw/zinc/47/87/42/556478742.db2.gz OJWBECFHBJNNGT-FQEVSTJZSA-N 0 0 429.564 4.400 50 0 IIAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000029641221 556479480 /nfs/dbraw/zinc/47/94/80/556479480.db2.gz RELHFGFDOKJUKA-LJQANCHMSA-N 0 0 438.568 4.239 50 0 IIAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC(C)CC3)c21 ZINC000015000913 556479822 /nfs/dbraw/zinc/47/98/22/556479822.db2.gz ZPTDMLNIXUSRBV-UHFFFAOYSA-N 0 0 426.561 4.074 50 0 IIAARN COc1cc2c(cc1OC)[C@@]1(Nc3c-2c(C)nn3-c2ccccc2)c2ccccc2NC1=O ZINC000013130653 556479873 /nfs/dbraw/zinc/47/98/73/556479873.db2.gz KRLREJIMJXTRFO-SANMLTNESA-N 0 0 438.487 4.486 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1C ZINC000013131358 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50 0 IIAARN CC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013141505 556486910 /nfs/dbraw/zinc/48/69/10/556486910.db2.gz OUBXPXKJYUWOIB-UHFFFAOYSA-N 0 0 434.945 4.360 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2o1 ZINC000013145411 556487514 /nfs/dbraw/zinc/48/75/14/556487514.db2.gz LXCIXXNYUIOTML-UHFFFAOYSA-N 0 0 445.566 4.042 50 0 IIAARN C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000013145479 556487561 /nfs/dbraw/zinc/48/75/61/556487561.db2.gz UNKHGKODCKCGQR-LBPRGKRZSA-N 0 0 443.575 4.163 50 0 IIAARN CCOC(=O)Nc1ccc2c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)oc2c1 ZINC000013148071 556489332 /nfs/dbraw/zinc/48/93/32/556489332.db2.gz MDLCPIYIRORJSM-UHFFFAOYSA-N 0 0 442.777 4.244 50 0 IIAARN COc1ccccc1-c1nc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cs1 ZINC000015040497 556489477 /nfs/dbraw/zinc/48/94/77/556489477.db2.gz NDHRDAIAEXSHSJ-UHFFFAOYSA-N 0 0 425.529 4.483 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cs2)cc1OC ZINC000030019590 556489527 /nfs/dbraw/zinc/48/95/27/556489527.db2.gz TZASMDISQUPLBL-UHFFFAOYSA-N 0 0 437.565 4.094 50 0 IIAARN Cc1cc(C)c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(Cl)c1 ZINC000013148502 556490100 /nfs/dbraw/zinc/49/01/00/556490100.db2.gz KPDPDNOLVRJDEJ-UHFFFAOYSA-N 0 0 447.922 4.391 50 0 IIAARN Cc1cccc(-n2cc(CN3CCN(c4cnccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000015064353 556491706 /nfs/dbraw/zinc/49/17/06/556491706.db2.gz SICUZJOKTQQGEG-UHFFFAOYSA-N 0 0 428.515 4.099 50 0 IIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000013149983 556492047 /nfs/dbraw/zinc/49/20/47/556492047.db2.gz HPZMSANZYBBINX-UHFFFAOYSA-N 0 0 428.851 4.020 50 0 IIAARN COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)c1cccs1 ZINC000013152810 556492636 /nfs/dbraw/zinc/49/26/36/556492636.db2.gz HVJFGURIZZJNFK-UHFFFAOYSA-N 0 0 429.498 4.275 50 0 IIAARN Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1CCc1cccs1 ZINC000013163427 556493638 /nfs/dbraw/zinc/49/36/38/556493638.db2.gz BYOXGPMIZVVIFK-UHFFFAOYSA-N 0 0 425.485 4.248 50 0 IIAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000013163886 556494656 /nfs/dbraw/zinc/49/46/56/556494656.db2.gz BBAMYVHNIJHFCW-JOCHJYFZSA-N 0 0 428.554 4.128 50 0 IIAARN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000013164325 556496050 /nfs/dbraw/zinc/49/60/50/556496050.db2.gz PEOGSUNDWCKPMT-UHFFFAOYSA-N 0 0 426.520 4.272 50 0 IIAARN Cc1nonc1N1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000015076419 556499112 /nfs/dbraw/zinc/49/91/12/556499112.db2.gz BNDXYGSXPNITAB-UHFFFAOYSA-N 0 0 432.503 4.000 50 0 IIAARN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000015078360 556499962 /nfs/dbraw/zinc/49/99/62/556499962.db2.gz NKNGZQYDQYPDNZ-UHFFFAOYSA-N 0 0 432.923 4.423 50 0 IIAARN Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)s1 ZINC000013330618 556502679 /nfs/dbraw/zinc/50/26/79/556502679.db2.gz FEFLOCCOWVJEFU-UHFFFAOYSA-N 0 0 427.374 4.463 50 0 IIAARN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1csc(Br)c1 ZINC000072293360 556502920 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CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 ZINC000013554606 556515921 /nfs/dbraw/zinc/51/59/21/556515921.db2.gz VRJRPUKSXALTAH-IFXJQAMLSA-N 0 0 429.900 4.016 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000013556057 556516514 /nfs/dbraw/zinc/51/65/14/556516514.db2.gz SKBOKJXOLIQWBC-NRFANRHFSA-N 0 0 432.432 4.165 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3C(=O)Cc3ccccc3)ccc21 ZINC000030947686 556517676 /nfs/dbraw/zinc/51/76/76/556517676.db2.gz VNUXXQOYGMIKRB-UHFFFAOYSA-N 0 0 448.544 4.077 50 0 IIAARN COc1cc(C)c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1OC ZINC000032718841 556517849 /nfs/dbraw/zinc/51/78/49/556517849.db2.gz RVAQKXVRNFUFHY-UHFFFAOYSA-N 0 0 429.476 4.272 50 0 IIAARN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955130 556517969 /nfs/dbraw/zinc/51/79/69/556517969.db2.gz XEHLNAQVMFZRAD-UHFFFAOYSA-N 0 0 441.329 4.350 50 0 IIAARN O=C(Nc1cccc(Br)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955128 556517997 /nfs/dbraw/zinc/51/79/97/556517997.db2.gz AMDSZZSIVKNYPJ-UHFFFAOYSA-N 0 0 441.329 4.350 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000015314329 556518617 /nfs/dbraw/zinc/51/86/17/556518617.db2.gz CBNGMPVHQWQTAZ-SCUMNGBJSA-N 0 0 436.593 4.191 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)s1 ZINC000015313059 556518659 /nfs/dbraw/zinc/51/86/59/556518659.db2.gz COMCEIMMAZDSAO-UHFFFAOYSA-N 0 0 443.594 4.167 50 0 IIAARN CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2cc(Cl)ccc21 ZINC000013571699 556522227 /nfs/dbraw/zinc/52/22/27/556522227.db2.gz VWKGNJWREYSNHQ-KRWDZBQOSA-N 0 0 428.735 4.381 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015351144 556522666 /nfs/dbraw/zinc/52/26/66/556522666.db2.gz VALKRVAWVLXLHN-DEOSSOPVSA-N 0 0 442.519 4.052 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1NC(C)=O ZINC000015357931 556522871 /nfs/dbraw/zinc/52/28/71/556522871.db2.gz UNIQOWSVIVOVHU-JOCHJYFZSA-N 0 0 442.562 4.052 50 0 IIAARN CN(c1ccc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)cc1)S(C)(=O)=O ZINC000015405567 556524581 /nfs/dbraw/zinc/52/45/81/556524581.db2.gz NSCPZLQOXZMOLT-UHFFFAOYSA-N 0 0 443.381 4.308 50 0 IIAARN COc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015412505 556525128 /nfs/dbraw/zinc/52/51/28/556525128.db2.gz YSWDXWKGWCXYLF-VWLOTQADSA-N 0 0 430.504 4.442 50 0 IIAARN COc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015412507 556525166 /nfs/dbraw/zinc/52/51/66/556525166.db2.gz YSWDXWKGWCXYLF-RUZDIDTESA-N 0 0 430.504 4.442 50 0 IIAARN CCCCCCOc1ccc([C@@H]2C(C(=O)OCCC)C(C)=Nc3ncnn32)cc1OC ZINC000004424088 556526764 /nfs/dbraw/zinc/52/67/64/556526764.db2.gz FKYOUPWTCLIMDJ-OAQYLSRUSA-N 0 0 428.533 4.488 50 0 IIAARN CCOc1cc(CN(C(=O)c2cc(C)nc3c2c(C)nn3C)C2CC2)ccc1OC(F)F ZINC000032900456 556529138 /nfs/dbraw/zinc/52/91/38/556529138.db2.gz CLUAVOVQKPTHCE-UHFFFAOYSA-N 0 0 444.482 4.390 50 0 IIAARN COc1ccc(Oc2cc(N[C@H](C)C(=O)NC(=O)NC3CCCC3)ccc2OC)cc1 ZINC000032899545 556530954 /nfs/dbraw/zinc/53/09/54/556530954.db2.gz SKRWYGJBZWHOKH-OAHLLOKOSA-N 0 0 427.501 4.065 50 0 IIAARN CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000015517367 556532588 /nfs/dbraw/zinc/53/25/88/556532588.db2.gz SAAZZNNUUXJXSY-UHFFFAOYSA-N 0 0 431.945 4.093 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccco3)n2)c1 ZINC000032901222 556534281 /nfs/dbraw/zinc/53/42/81/556534281.db2.gz ATZGTJPBVCBBAU-HNNXBMFYSA-N 0 0 446.550 4.323 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc12 ZINC000015593809 556536431 /nfs/dbraw/zinc/53/64/31/556536431.db2.gz QSTRHVUROMHXDS-UHFFFAOYSA-N 0 0 440.617 4.246 50 0 IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000032901765 556537327 /nfs/dbraw/zinc/53/73/27/556537327.db2.gz MOLIWCAPXNLBPD-UHFFFAOYSA-N 0 0 438.880 4.457 50 0 IIAARN CCCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1[C@H](CC)N(C)C ZINC000015613800 556537906 /nfs/dbraw/zinc/53/79/06/556537906.db2.gz XQHYTTBKZWFUCP-AWEZNQCLSA-N 0 0 434.635 4.298 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000032719709 556538280 /nfs/dbraw/zinc/53/82/80/556538280.db2.gz VIFVSZUNACPOMI-UHFFFAOYSA-N 0 0 426.488 4.139 50 0 IIAARN O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015636903 556539605 /nfs/dbraw/zinc/53/96/05/556539605.db2.gz OVRIEYKBYSCFEP-UHFFFAOYSA-N 0 0 439.990 4.102 50 0 IIAARN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015679386 556543106 /nfs/dbraw/zinc/54/31/06/556543106.db2.gz QEIJSKKEHUPSSK-UHFFFAOYSA-N 0 0 445.748 4.455 50 0 IIAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013654131 556545703 /nfs/dbraw/zinc/54/57/03/556545703.db2.gz JSHDBMIVKDWATG-UTSGNWPNSA-N 0 0 435.886 4.250 50 0 IIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCCCCC4)ccc3c2=O)cc1OC ZINC000013655903 556546385 /nfs/dbraw/zinc/54/63/85/556546385.db2.gz NBZYAMHAILIKDY-UHFFFAOYSA-N 0 0 437.492 4.259 50 0 biogenic IIAARN O=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1ccccc1OCc1ccc(F)cc1 ZINC000072303114 556546955 /nfs/dbraw/zinc/54/69/55/556546955.db2.gz AXKUDLBGKFQFEG-QGZVFWFLSA-N 0 0 429.438 4.264 50 0 IIAARN CCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2s1 ZINC000032959447 556547433 /nfs/dbraw/zinc/54/74/33/556547433.db2.gz CMMUZNKXIUYIFL-UHFFFAOYSA-N 0 0 443.525 4.242 50 0 IIAARN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000072304353 556548457 /nfs/dbraw/zinc/54/84/57/556548457.db2.gz YUHGBGWUSLMTHK-ZFWWWQNUSA-N 0 0 434.537 4.342 50 0 IIAARN Cc1cccc2sc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)c(Cl)c21 ZINC000032906434 556552130 /nfs/dbraw/zinc/55/21/30/556552130.db2.gz AVIFQVKOJVPFMI-UHFFFAOYSA-N 0 0 443.956 4.386 50 0 IIAARN Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000015800283 556552809 /nfs/dbraw/zinc/55/28/09/556552809.db2.gz JMCRSTKNJVAIDQ-UYRXBGFRSA-N 0 0 432.929 4.261 50 0 IIAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c1 ZINC000033115407 556554916 /nfs/dbraw/zinc/55/49/16/556554916.db2.gz LFXFXKKXHZGDPC-UHFFFAOYSA-N 0 0 442.581 4.367 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)c2c1C ZINC000032960064 556556064 /nfs/dbraw/zinc/55/60/64/556556064.db2.gz USBSQYFPTICMDE-IBGZPJMESA-N 0 0 431.540 4.205 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4)C3)c2c1C ZINC000032960051 556556134 /nfs/dbraw/zinc/55/61/34/556556134.db2.gz MSWAVLRBNQOFGP-CQSZACIVSA-N 0 0 429.318 4.457 50 0 IIAARN O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000032905771 556556294 /nfs/dbraw/zinc/55/62/94/556556294.db2.gz ULYMPCPXKBRLQL-HXUWFJFHSA-N 0 0 445.544 4.441 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccc(C)s3)ccc21 ZINC000015866747 556559385 /nfs/dbraw/zinc/55/93/85/556559385.db2.gz HEMMQMUTQMQMTB-LJQANCHMSA-N 0 0 434.583 4.108 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c(=O)oc2c1 ZINC000072308047 556563743 /nfs/dbraw/zinc/56/37/43/556563743.db2.gz KCUQNXNQBQLUIH-UHFFFAOYSA-N 0 0 431.529 4.059 50 0 IIAARN O=C(Nc1nnc(C2CC2)s1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000032908268 556564519 /nfs/dbraw/zinc/56/45/19/556564519.db2.gz QRXHMLIJBRCRLR-UHFFFAOYSA-N 0 0 448.352 4.286 50 0 IIAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000072308333 556566221 /nfs/dbraw/zinc/56/62/21/556566221.db2.gz PRTMJXKLEKSFTR-HXUWFJFHSA-N 0 0 433.552 4.287 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCC2 ZINC000015946663 556567816 /nfs/dbraw/zinc/56/78/16/556567816.db2.gz LGXUQAXSGMGMNW-UHFFFAOYSA-N 0 0 433.961 4.185 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](N)Cc2c[nH]c3ccccc23)o1 ZINC000015987156 556571098 /nfs/dbraw/zinc/57/10/98/556571098.db2.gz PUODCBLVQKVECY-MRXNPFEDSA-N 0 0 441.944 4.486 50 0 IIAARN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2ccccn2)CC1 ZINC000015659154 556572183 /nfs/dbraw/zinc/57/21/83/556572183.db2.gz HYRIWUUVLRNBPQ-SPHKWJJASA-N 0 0 447.623 4.111 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)N1CCCCC1 ZINC000001114786 556573726 /nfs/dbraw/zinc/57/37/26/556573726.db2.gz YXRSGVOOMFGHER-UHFFFAOYSA-N 0 0 431.370 4.202 50 0 IIAARN CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000016014929 556574523 /nfs/dbraw/zinc/57/45/23/556574523.db2.gz UPLZRXBGLAUHAK-UHFFFAOYSA-N 0 0 443.301 4.098 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000016023425 556575909 /nfs/dbraw/zinc/57/59/09/556575909.db2.gz PIEKXGXJGUOACA-UHFFFAOYSA-N 0 0 431.521 4.488 50 0 IIAARN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000072311060 556577325 /nfs/dbraw/zinc/57/73/25/556577325.db2.gz SBCGDCXMJAULFO-INZIPBBXSA-N 0 0 436.581 4.119 50 0 IIAARN O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)ccc1Cl ZINC000072309856 556577590 /nfs/dbraw/zinc/57/75/90/556577590.db2.gz OHMINNMSGDLAMS-GHTZIAJQSA-N 0 0 427.932 4.352 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc1 ZINC000072310006 556577636 /nfs/dbraw/zinc/57/76/36/556577636.db2.gz TZIJBAZPSLGMFN-UHFFFAOYSA-N 0 0 426.542 4.113 50 0 IIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C(C)C)c1 ZINC000016044250 556578636 /nfs/dbraw/zinc/57/86/36/556578636.db2.gz YFAQWQNAVZYKAB-RXJMDAGWSA-N 0 0 442.600 4.179 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000032962393 556580673 /nfs/dbraw/zinc/58/06/73/556580673.db2.gz CDMWESSFEVAHIG-UHFFFAOYSA-N 0 0 440.337 4.352 50 0 IIAARN CCc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl ZINC000032910908 556582009 /nfs/dbraw/zinc/58/20/09/556582009.db2.gz FHMDYDRNZYXFJI-QGZVFWFLSA-N 0 0 439.895 4.101 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000032911149 556582160 /nfs/dbraw/zinc/58/21/60/556582160.db2.gz GHOHOFUPJRXWLZ-LJQANCHMSA-N 0 0 438.549 4.250 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000032911997 556585337 /nfs/dbraw/zinc/58/53/37/556585337.db2.gz MBPKOVOSXDMMAA-GFCCVEGCSA-N 0 0 446.267 4.249 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000032964193 556585730 /nfs/dbraw/zinc/58/57/30/556585730.db2.gz GKKISVOETQXUMN-HNNXBMFYSA-N 0 0 438.952 4.314 50 0 IIAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N(C)C[C@H]2COc3ccccc3O2)n1 ZINC000032966851 556587656 /nfs/dbraw/zinc/58/76/56/556587656.db2.gz DGVCNVYGTMGYKI-IBGZPJMESA-N 0 0 435.549 4.298 50 0 IIAARN Cc1c(NC(=O)CSc2nc(-c3ccccc3)cs2)c(=O)n(-c2ccccc2)n1C ZINC000016193312 556589359 /nfs/dbraw/zinc/58/93/59/556589359.db2.gz ZBNBMQCSEHNUQM-UHFFFAOYSA-N 0 0 436.562 4.339 50 0 IIAARN CCCCS[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](SCCCC)C3=O)cc2)C1=O ZINC000016213827 556591159 /nfs/dbraw/zinc/59/11/59/556591159.db2.gz YDXRWCDASZUDBV-QZTJIDSGSA-N 0 0 448.610 4.017 50 0 IIAARN CCN(Cc1cccc(NC(=O)CCNC(=O)c2ccccc2)c1)C(=O)OC(C)(C)C ZINC000032912881 556593572 /nfs/dbraw/zinc/59/35/72/556593572.db2.gz JFAJCGFCKLHDNR-UHFFFAOYSA-N 0 0 425.529 4.202 50 0 IIAARN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000032912873 556593594 /nfs/dbraw/zinc/59/35/94/556593594.db2.gz DUYKRCDMLPZGBM-UHFFFAOYSA-N 0 0 428.517 4.152 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC000016248338 556594262 /nfs/dbraw/zinc/59/42/62/556594262.db2.gz BDWUQLQIXJJJQT-UHFFFAOYSA-N 0 0 441.258 4.417 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)ccc21 ZINC000016260501 556594942 /nfs/dbraw/zinc/59/49/42/556594942.db2.gz DOEAGKPMTZWZDS-UHFFFAOYSA-N 0 0 435.549 4.158 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000016263231 556595353 /nfs/dbraw/zinc/59/53/53/556595353.db2.gz BRVIKLHBSRSSNP-HXUWFJFHSA-N 0 0 446.334 4.337 50 0 IIAARN Cc1cc(C)c(OCC(=O)Nc2ccc(I)c(C)n2)c(Cl)c1 ZINC000016267605 556595857 /nfs/dbraw/zinc/59/58/57/556595857.db2.gz HBOQHBSCHGQGOQ-UHFFFAOYSA-N 0 0 430.673 4.282 50 0 IIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccco2)c1 ZINC000032974978 556596729 /nfs/dbraw/zinc/59/67/29/556596729.db2.gz INFZXCADYCWFPJ-UHFFFAOYSA-N 0 0 431.492 4.399 50 0 IIAARN CC(=O)N(c1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c(=S)s1)C1CC1 ZINC000032913317 556597605 /nfs/dbraw/zinc/59/76/05/556597605.db2.gz ABMQZZKQAGTRDL-AWEZNQCLSA-N 0 0 429.571 4.168 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000016300729 556598906 /nfs/dbraw/zinc/59/89/06/556598906.db2.gz WGJQQQZQZNYBGS-FQEVSTJZSA-N 0 0 448.585 4.213 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)C[C@@H]2C)cc1 ZINC000037285014 556601473 /nfs/dbraw/zinc/60/14/73/556601473.db2.gz VCIPPHWMKKUWEB-INIZCTEOSA-N 0 0 437.475 4.159 50 0 IIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)CCc3ccccc3)[C@H](C)C2)ncn1 ZINC000037355974 556601850 /nfs/dbraw/zinc/60/18/50/556601850.db2.gz CXVKJOBEQYFASN-HXUWFJFHSA-N 0 0 446.551 4.256 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037356646 556601871 /nfs/dbraw/zinc/60/18/71/556601871.db2.gz ZHAQMIPCINCLPM-UHFFFAOYSA-N 0 0 430.842 4.163 50 0 IIAARN O=C(CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1 ZINC000060274470 556605039 /nfs/dbraw/zinc/60/50/39/556605039.db2.gz LKHZQZCGEBZEFK-UHFFFAOYSA-N 0 0 430.533 4.037 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCCC2=CCCCC2)s1 ZINC000032987318 556607250 /nfs/dbraw/zinc/60/72/50/556607250.db2.gz UVDSYBATZGZFOQ-UHFFFAOYSA-N 0 0 430.599 4.339 50 0 IIAARN O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000016446478 556607768 /nfs/dbraw/zinc/60/77/68/556607768.db2.gz VIULQMBZPBNPFF-DGVCBVDVSA-N 0 0 427.595 4.265 50 0 IIAARN CC(C)[C@H](NC(=O)COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1cccs1 ZINC000032987612 556607952 /nfs/dbraw/zinc/60/79/52/556607952.db2.gz LFSZEELENMIZNS-SFHVURJKSA-N 0 0 448.545 4.021 50 0 IIAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000016448208 556608524 /nfs/dbraw/zinc/60/85/24/556608524.db2.gz WQQWLJIYQWDQMB-QGZVFWFLSA-N 0 0 434.279 4.047 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCc2ccc(Br)cc2)CC1=O ZINC000016474682 556610191 /nfs/dbraw/zinc/61/01/91/556610191.db2.gz XVYMFFIGDGLYDR-ZDUSSCGKSA-N 0 0 438.705 4.207 50 0 IIAARN CS(=O)(=O)c1ccc2c(c1)CCCN2Cn1nc(-c2cccc(Cl)c2)oc1=S ZINC000032916154 556613814 /nfs/dbraw/zinc/61/38/14/556613814.db2.gz YUGGTPAKFFTEJJ-UHFFFAOYSA-N 0 0 435.958 4.340 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 ZINC000038651756 556615388 /nfs/dbraw/zinc/61/53/88/556615388.db2.gz MHWZRXADEWBUCZ-UHFFFAOYSA-N 0 0 432.505 4.031 50 0 IIAARN CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000016601561 556616841 /nfs/dbraw/zinc/61/68/41/556616841.db2.gz ATUCXNHMXNUUOF-AWEZNQCLSA-N 0 0 439.375 4.477 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)ccc1C ZINC000016626570 556618667 /nfs/dbraw/zinc/61/86/67/556618667.db2.gz YEXSREJNARDWPI-SFHVURJKSA-N 0 0 432.524 4.384 50 0 IIAARN O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(C(F)(F)F)c(Cl)c1 ZINC000038783820 556619685 /nfs/dbraw/zinc/61/96/85/556619685.db2.gz KIKLDOSTHNLREU-UHFFFAOYSA-N 0 0 433.699 4.119 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(CC)cccc3CC)n2)cc1NC(C)=O ZINC000016648227 556620031 /nfs/dbraw/zinc/62/00/31/556620031.db2.gz PVKOGYFJBANKNL-UHFFFAOYSA-N 0 0 446.551 4.195 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3Cl)n2)ccc1C ZINC000016651681 556620601 /nfs/dbraw/zinc/62/06/01/556620601.db2.gz LHSKXZZSISAFNS-UHFFFAOYSA-N 0 0 445.306 4.123 50 0 IIAARN CCOc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(OCC)c1OCC ZINC000016676421 556622344 /nfs/dbraw/zinc/62/23/44/556622344.db2.gz CZVUTKIYFBWHEI-UHFFFAOYSA-N 0 0 432.948 4.499 50 0 IIAARN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000016676175 556622360 /nfs/dbraw/zinc/62/23/60/556622360.db2.gz QDPVCRFIGDDUQW-RQZCQDPDSA-N 0 0 432.885 4.241 50 0 IIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)cc1 ZINC000032998864 556626752 /nfs/dbraw/zinc/62/67/52/556626752.db2.gz NSBOWFVCOOZZBU-UHFFFAOYSA-N 0 0 435.549 4.455 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N ZINC000005047420 556627027 /nfs/dbraw/zinc/62/70/27/556627027.db2.gz ALUWMMKQASVYKL-UHFFFAOYSA-N 0 0 425.558 4.048 50 0 IIAARN Cc1ccc(C(N)=O)c(OC(=O)c2ccc(Oc3ccccc3Br)nc2)c1 ZINC000071810466 556628008 /nfs/dbraw/zinc/62/80/08/556628008.db2.gz NLHDCCJKAYAIGQ-UHFFFAOYSA-N 0 0 427.254 4.263 50 0 IIAARN CC(C)[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000016695282 556628560 /nfs/dbraw/zinc/62/85/60/556628560.db2.gz NZYOVSADOJZAAT-SANMLTNESA-N 0 0 446.595 4.416 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C/c4ccccc4OCCC)c(=O)n3n2)cc1 ZINC000016701311 556629734 /nfs/dbraw/zinc/62/97/34/556629734.db2.gz GJOIPVBDQICRMS-LTGZKZEYSA-N 0 0 435.549 4.333 50 0 IIAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000016727617 556630919 /nfs/dbraw/zinc/63/09/19/556630919.db2.gz KYVOMGZWCOOFQE-UHFFFAOYSA-N 0 0 438.549 4.313 50 0 IIAARN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033788757 556635187 /nfs/dbraw/zinc/63/51/87/556635187.db2.gz HIUQJDVAOQMNPF-QGMBQPNBSA-N 0 0 430.957 4.461 50 0 IIAARN CCc1nn2c(nnc3c2ccn(CCc2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391654 556637935 /nfs/dbraw/zinc/63/79/35/556637935.db2.gz GLRUDYDVKSSSOH-UHFFFAOYSA-N 0 0 443.482 4.059 50 0 IIAARN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040396311 556639095 /nfs/dbraw/zinc/63/90/95/556639095.db2.gz UCWMRNBIDMUXKD-UHFFFAOYSA-N 0 0 429.867 4.057 50 0 IIAARN COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414640 556640111 /nfs/dbraw/zinc/64/01/11/556640111.db2.gz ZHJWBUCGBLBXIC-NRFANRHFSA-N 0 0 430.504 4.281 50 0 IIAARN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000016766177 556640135 /nfs/dbraw/zinc/64/01/35/556640135.db2.gz CDICESCUYXICRQ-MRVPVSSYSA-N 0 0 430.675 4.011 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2OC)cc1 ZINC000033855528 556642935 /nfs/dbraw/zinc/64/29/35/556642935.db2.gz CGEKTVJUDVMLOW-UHFFFAOYSA-N 0 0 425.506 4.267 50 0 IIAARN COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCc2ccccc2)cc1 ZINC000037556880 556645299 /nfs/dbraw/zinc/64/52/99/556645299.db2.gz XWWHYENCBXWFGG-UHFFFAOYSA-N 0 0 430.548 4.076 50 0 IIAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(=O)OC)cc4)nccn3n2)cc1 ZINC000016841676 556646158 /nfs/dbraw/zinc/64/61/58/556646158.db2.gz GQGHZEJFSQDTRL-UHFFFAOYSA-N 0 0 446.532 4.476 50 0 IIAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2 ZINC000037602068 556646423 /nfs/dbraw/zinc/64/64/23/556646423.db2.gz XEODFWVGAOVJNW-XDHUDOTRSA-N 0 0 426.532 4.249 50 0 IIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 ZINC000011726553 556647405 /nfs/dbraw/zinc/64/74/05/556647405.db2.gz NCQYKLZWGBLBSW-WMZOPIPTSA-N 0 0 443.638 4.212 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000017051664 556654427 /nfs/dbraw/zinc/65/44/27/556654427.db2.gz LJANHUYSOFGRBO-UHFFFAOYSA-N 0 0 432.505 4.222 50 0 IIAARN CCc1nc2cc(C(=O)N3CCCC[C@@H]3C)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000011788752 556655303 /nfs/dbraw/zinc/65/53/03/556655303.db2.gz GHLFKVKEWNZMPE-INIZCTEOSA-N 0 0 434.540 4.411 50 0 IIAARN C[C@H]1CCCN(C(=O)C2CCN(Cn3nc4c(Cl)cc(Cl)cn4c3=S)CC2)C1 ZINC000032926869 556655728 /nfs/dbraw/zinc/65/57/28/556655728.db2.gz FKBCCZRATLPTLV-ZDUSSCGKSA-N 0 0 442.416 4.100 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(OC)cc3OC)cc2OC)s1 ZINC000033008465 556655848 /nfs/dbraw/zinc/65/58/48/556655848.db2.gz RZFMHCRKMFMDEE-UHFFFAOYSA-N 0 0 430.486 4.315 50 0 IIAARN O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H]1c1ccccc1 ZINC000032927650 556656336 /nfs/dbraw/zinc/65/63/36/556656336.db2.gz XAQDPXBQXCZCHS-AWEZNQCLSA-N 0 0 431.149 4.347 50 0 IIAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccc2nc(NC(=O)CC)sc2c1)c1ccccc1 ZINC000033008055 556656860 /nfs/dbraw/zinc/65/68/60/556656860.db2.gz HAQFLEPNGXIJOB-QGZVFWFLSA-N 0 0 440.525 4.461 50 0 IIAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(SC)cc3)cc2)s1 ZINC000033011201 556659145 /nfs/dbraw/zinc/65/91/45/556659145.db2.gz KSRKOJKWMNIXGN-UHFFFAOYSA-N 0 0 426.567 4.395 50 0 IIAARN CSc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033011664 556659626 /nfs/dbraw/zinc/65/96/26/556659626.db2.gz JQKJWMIFYZJMIL-UHFFFAOYSA-N 0 0 448.570 4.060 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2CC)cc1 ZINC000017097172 556661199 /nfs/dbraw/zinc/66/11/99/556661199.db2.gz BIDLPWDTLARLBP-UHFFFAOYSA-N 0 0 430.574 4.328 50 0 IIAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000017097691 556662053 /nfs/dbraw/zinc/66/20/53/556662053.db2.gz DOIIOLYBRIYDRC-QZTJIDSGSA-N 0 0 431.627 4.167 50 0 IIAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(CCc2ccccc2)CC1 ZINC000017098648 556663583 /nfs/dbraw/zinc/66/35/83/556663583.db2.gz WLTLVHWEPZSZDV-UHFFFAOYSA-N 0 0 433.788 4.196 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013828 556663750 /nfs/dbraw/zinc/66/37/50/556663750.db2.gz FSAHFGDJQDPLSV-INIZCTEOSA-N 0 0 446.507 4.095 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2Cl)C1 ZINC000044122823 556665732 /nfs/dbraw/zinc/66/57/32/556665732.db2.gz JIDZJTLPNGYJFY-VQHPVUNQSA-N 0 0 427.010 4.125 50 0 IIAARN CCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OCC ZINC000248167913 556672125 /nfs/dbraw/zinc/67/21/25/556672125.db2.gz SQHYCUBZYNEFJH-SBODMUILSA-N 0 0 444.616 4.349 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011915998 556673011 /nfs/dbraw/zinc/67/30/11/556673011.db2.gz VWCYAHGYZSQWAI-UHFFFAOYSA-N 0 0 428.466 4.220 50 0 IIAARN CCCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)c1 ZINC000011916378 556673319 /nfs/dbraw/zinc/67/33/19/556673319.db2.gz HEGPPTPKHRLAEJ-XMMPIXPASA-N 0 0 435.524 4.461 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)c(OC)c1 ZINC000011918266 556674777 /nfs/dbraw/zinc/67/47/77/556674777.db2.gz LZVZQPIIWXONRR-UHFFFAOYSA-N 0 0 425.525 4.332 50 0 IIAARN COc1ccc(C(=O)N[C@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C(C)C)cc1 ZINC000032933129 556676333 /nfs/dbraw/zinc/67/63/33/556676333.db2.gz RXKMVEFDLRLWSK-DEOSSOPVSA-N 0 0 449.526 4.386 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C(C)C)cc1 ZINC000032933130 556676450 /nfs/dbraw/zinc/67/64/50/556676450.db2.gz RXKMVEFDLRLWSK-XMMPIXPASA-N 0 0 449.526 4.386 50 0 IIAARN Cc1nn(CN2CCN(c3nc4ccccc4s3)CC2)c(=S)n1Cc1ccccc1 ZINC000032934451 556677498 /nfs/dbraw/zinc/67/74/98/556677498.db2.gz SZCWJCSTHPFRBJ-UHFFFAOYSA-N 0 0 436.610 4.160 50 0 IIAARN Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc2)cc1 ZINC000032936745 556678792 /nfs/dbraw/zinc/67/87/92/556678792.db2.gz YHDQJPLHZRTJGQ-UHFFFAOYSA-N 0 0 435.498 4.011 50 0 IIAARN CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc3ccccc3o2)[nH]c1=O ZINC000012008879 556680954 /nfs/dbraw/zinc/68/09/54/556680954.db2.gz WMHSRBUMPGQKSI-UHFFFAOYSA-N 0 0 429.436 4.085 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000012016347 556681219 /nfs/dbraw/zinc/68/12/19/556681219.db2.gz LXGGYSPKEHZLEA-UHFFFAOYSA-N 0 0 439.471 4.153 50 0 IIAARN COc1ccc(OC)c(NC(=O)Nc2ccccc2Sc2cc(C)nc3ncnn32)c1 ZINC000033019912 556684858 /nfs/dbraw/zinc/68/48/58/556684858.db2.gz YJTDNVZMCKLGPT-UHFFFAOYSA-N 0 0 436.497 4.245 50 0 IIAARN COc1ccc(C)cc1-n1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC000060323106 556685144 /nfs/dbraw/zinc/68/51/44/556685144.db2.gz ZYDNDBBDLIYZBO-UHFFFAOYSA-N 0 0 432.455 4.446 50 0 IIAARN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109880893 556685383 /nfs/dbraw/zinc/68/53/83/556685383.db2.gz ZKWTUIDOCNHRCV-KXBFYZLASA-N 0 0 445.357 4.248 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1C ZINC000072313119 556688207 /nfs/dbraw/zinc/68/82/07/556688207.db2.gz RWGVDYMWXUADEG-FQEVSTJZSA-N 0 0 441.553 4.238 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000018247090 556688256 /nfs/dbraw/zinc/68/82/56/556688256.db2.gz CCQJWCMVPHKRQN-HDICACEKSA-N 0 0 428.282 4.348 50 0 IIAARN O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000018323656 556689395 /nfs/dbraw/zinc/68/93/95/556689395.db2.gz OMYOHAAJDKNABE-DEOSSOPVSA-N 0 0 445.494 4.072 50 0 IIAARN O=C(CSc1nnc(COc2ccc(Br)cc2)o1)OC1CCCCC1 ZINC000000892251 556689658 /nfs/dbraw/zinc/68/96/58/556689658.db2.gz HKEQBQNCPDKCAA-UHFFFAOYSA-N 0 0 427.320 4.379 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCc1ccccn1 ZINC000046141303 556692801 /nfs/dbraw/zinc/69/28/01/556692801.db2.gz YYTZVDQNYMLGGH-UHFFFAOYSA-N 0 0 446.941 4.300 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NCc1ccco1 ZINC000046141443 556692979 /nfs/dbraw/zinc/69/29/79/556692979.db2.gz PYGRTLRJOQQQEO-UHFFFAOYSA-N 0 0 435.914 4.498 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCc2[nH]cnc2C1)occ3-c1ccccc1 ZINC000013551971 556697010 /nfs/dbraw/zinc/69/70/10/556697010.db2.gz PLGMQPVIVHTXQA-UHFFFAOYSA-N 0 0 439.471 4.365 50 0 biogenic IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000137710059 556697966 /nfs/dbraw/zinc/69/79/66/556697966.db2.gz YZCWRZXLAXRNDP-RBZQAINGSA-N 0 0 444.487 4.063 50 0 IIAARN Cc1c(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)ccc2ccccc21 ZINC000067189943 556699818 /nfs/dbraw/zinc/69/98/18/556699818.db2.gz RDYKXFIYXDMSNQ-UHFFFAOYSA-N 0 0 443.532 4.385 50 0 IIAARN Cc1ccc2nc(CSc3ccccc3NC(=O)COc3cccc(F)c3)cc(=O)n2c1 ZINC000033025928 556701990 /nfs/dbraw/zinc/70/19/90/556701990.db2.gz UMNPPKIRROGCTA-UHFFFAOYSA-N 0 0 449.507 4.452 50 0 IIAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccccc3F)nc12 ZINC000033026072 556702547 /nfs/dbraw/zinc/70/25/47/556702547.db2.gz LDAJQXPCPKYSGG-UHFFFAOYSA-N 0 0 449.507 4.452 50 0 IIAARN O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1nnc(COc2ccccc2)s1 ZINC000033027169 556704459 /nfs/dbraw/zinc/70/44/59/556704459.db2.gz SVTRFRBKJMJTML-UHFFFAOYSA-N 0 0 444.516 4.299 50 0 IIAARN CC(C)NC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027907 556708020 /nfs/dbraw/zinc/70/80/20/556708020.db2.gz JZHHSKUTBOCZRS-UHFFFAOYSA-N 0 0 430.917 4.161 50 0 IIAARN COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000049997687 556708543 /nfs/dbraw/zinc/70/85/43/556708543.db2.gz FDOCCTYKAAWRBS-LCUIJRPUSA-N 0 0 431.448 4.344 50 0 IIAARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000011127722 556710765 /nfs/dbraw/zinc/71/07/65/556710765.db2.gz PCXNEGJTMBMJDU-UHFFFAOYSA-N 0 0 426.856 4.082 50 0 IIAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2F)n1 ZINC000036082861 556713198 /nfs/dbraw/zinc/71/31/98/556713198.db2.gz UVHZFARUIOEWCI-UHFFFAOYSA-N 0 0 448.473 4.480 50 0 IIAARN COc1cccc(CNC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)c1 ZINC000033037470 556722932 /nfs/dbraw/zinc/72/29/32/556722932.db2.gz PXFGXUMNQQJATB-UHFFFAOYSA-N 0 0 442.519 4.245 50 0 biogenic IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1CCc1cccs1 ZINC000005191546 556723580 /nfs/dbraw/zinc/72/35/80/556723580.db2.gz JLNTWMAQTJGJOP-IQMFZBJNSA-N 0 0 427.570 4.093 50 0 IIAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)c(C)c3)nn2)C1 ZINC000072328341 556725157 /nfs/dbraw/zinc/72/51/57/556725157.db2.gz BVSJVAFCCYYUQQ-QFIPXVFZSA-N 0 0 430.552 4.302 50 0 IIAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)[nH]n2)cc1 ZINC000072331242 556730119 /nfs/dbraw/zinc/73/01/19/556730119.db2.gz DQMRHBWAFGMQPY-UHFFFAOYSA-N 0 0 434.540 4.227 50 0 IIAARN CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)cc1 ZINC000055133336 556735795 /nfs/dbraw/zinc/73/57/95/556735795.db2.gz UWWKDSKWJFVUNB-UHFFFAOYSA-N 0 0 447.645 4.220 50 0 IIAARN CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2c2cccnc2)n1CCc1ccccc1 ZINC000055212177 556737989 /nfs/dbraw/zinc/73/79/89/556737989.db2.gz NFMZEHWSAUYUHN-QHCPKHFHSA-N 0 0 438.597 4.042 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000143598490 556739957 /nfs/dbraw/zinc/73/99/57/556739957.db2.gz RJMNYYGBCXEPKN-RBZQAINGSA-N 0 0 444.487 4.150 50 0 IIAARN CCCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC1CCC1 ZINC000055358045 556740516 /nfs/dbraw/zinc/74/05/16/556740516.db2.gz PERIUOJMWUKCTA-QFIPXVFZSA-N 0 0 430.618 4.379 50 0 IIAARN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(ccn4CC(C)C)c3)ccc21 ZINC000058009406 556752803 /nfs/dbraw/zinc/75/28/03/556752803.db2.gz PLDMEAAUYJKRAL-UHFFFAOYSA-N 0 0 425.554 4.397 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000058048851 556755428 /nfs/dbraw/zinc/75/54/28/556755428.db2.gz HHOAQYFCPDZYMH-NRFANRHFSA-N 0 0 444.622 4.144 50 0 IIAARN Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000010656869 556755564 /nfs/dbraw/zinc/75/55/64/556755564.db2.gz KFWNTAOJGJWCAV-UHFFFAOYSA-N 0 0 425.535 4.353 50 0 IIAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058112922 556759220 /nfs/dbraw/zinc/75/92/20/556759220.db2.gz FUBGVGRROGSDTE-OAHLLOKOSA-N 0 0 433.455 4.184 50 0 IIAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1F ZINC000058121535 556759419 /nfs/dbraw/zinc/75/94/19/556759419.db2.gz YXYCGLMBGBDNQR-UHFFFAOYSA-N 0 0 426.717 4.002 50 0 IIAARN CCOC(=O)CCN(CC1CC1)C(=O)c1cc(Br)c(Br)s1 ZINC000058130234 556759916 /nfs/dbraw/zinc/75/99/16/556759916.db2.gz MLUPUYUIFOMBJK-UHFFFAOYSA-N 0 0 439.169 4.079 50 0 IIAARN CCCCn1nc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccc2c1=O ZINC000058139342 556760823 /nfs/dbraw/zinc/76/08/23/556760823.db2.gz CKZHPAZRCNJYEM-KRWDZBQOSA-N 0 0 429.524 4.093 50 0 IIAARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1 ZINC000058157901 556763226 /nfs/dbraw/zinc/76/32/26/556763226.db2.gz RLRDPJIOLQNDSW-GFCCVEGCSA-N 0 0 431.279 4.442 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 ZINC000061974331 556763225 /nfs/dbraw/zinc/76/32/25/556763225.db2.gz OCXRHOKIBNNTDT-UHFFFAOYSA-N 0 0 436.577 4.078 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)CCc2cc(OC)ccc2OC)c2ccccc21 ZINC000058161139 556764981 /nfs/dbraw/zinc/76/49/81/556764981.db2.gz WOLFUUOWLIEODB-SPEDKVCISA-N 0 0 438.568 4.460 50 0 IIAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000058166510 556766799 /nfs/dbraw/zinc/76/67/99/556766799.db2.gz RCJLTJGHXBHGFJ-QGZVFWFLSA-N 0 0 435.427 4.220 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCn3cccc3[C@H]2C)cc1 ZINC000058173853 556768832 /nfs/dbraw/zinc/76/88/32/556768832.db2.gz STCQSLUMNTWYGC-CLOONOSVSA-N 0 0 428.536 4.251 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](CN1CCCCCC1=O)c1ccccc1 ZINC000058194477 556770582 /nfs/dbraw/zinc/77/05/82/556770582.db2.gz PTFNLSJBLVHRHB-OAQYLSRUSA-N 0 0 437.540 4.091 50 0 IIAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000058209937 556771984 /nfs/dbraw/zinc/77/19/84/556771984.db2.gz RPPVOBLTSRWUQY-XMMPIXPASA-N 0 0 429.520 4.005 50 0 IIAARN Cc1ccc(-n2cnnc2SCC(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000058225796 556773726 /nfs/dbraw/zinc/77/37/26/556773726.db2.gz NFOIPHVFXJEGNX-HSZRJFAPSA-N 0 0 447.539 4.450 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)n1 ZINC000058244927 556775066 /nfs/dbraw/zinc/77/50/66/556775066.db2.gz VSYUDBMYCGNILV-UHFFFAOYSA-N 0 0 430.512 4.378 50 0 IIAARN O=C(c1ccc(OC(F)(F)F)cc1)N(CCO)Cc1cc(Br)ccc1F ZINC000058246371 556775292 /nfs/dbraw/zinc/77/52/92/556775292.db2.gz JIPBVXRFYNEDQK-UHFFFAOYSA-N 0 0 436.199 4.122 50 0 IIAARN Cc1ccc(-c2noc([C@H](C)S(=O)(=O)Cc3nc4ccccc4nc3C)n2)cc1F ZINC000058407195 556786218 /nfs/dbraw/zinc/78/62/18/556786218.db2.gz IUBSMJOJMWESAN-AWEZNQCLSA-N 0 0 426.473 4.112 50 0 IIAARN C[C@H]1CN(c2ccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)cc2F)C[C@H](C)O1 ZINC000058425112 556787801 /nfs/dbraw/zinc/78/78/01/556787801.db2.gz IXSYLVVNYNNCRN-HOTGVXAUSA-N 0 0 446.954 4.343 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000059019538 556794363 /nfs/dbraw/zinc/79/43/63/556794363.db2.gz LXCQSGVCJAVERT-UHFFFAOYSA-N 0 0 431.374 4.232 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCCc3cc(F)cc(F)c32)nn1-c1cccc(C(F)(F)F)c1 ZINC000059265666 556796725 /nfs/dbraw/zinc/79/67/25/556796725.db2.gz CGYFSCOPAVNKDH-UHFFFAOYSA-N 0 0 449.379 4.431 50 0 IIAARN NC(=O)COc1cccc(C=C2SC(=O)N=C2Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000072400353 556799082 /nfs/dbraw/zinc/79/90/82/556799082.db2.gz YOBMMXXRCLCIAT-DHDCSXOGSA-N 0 0 437.399 4.168 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NCc2ccco2)cc1 ZINC000002616402 556800350 /nfs/dbraw/zinc/80/03/50/556800350.db2.gz AFOBHNFOKQZILF-UHFFFAOYSA-N 0 0 439.924 4.349 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)Cc2c(F)cccc2F)c1 ZINC000059767628 556804480 /nfs/dbraw/zinc/80/44/80/556804480.db2.gz HVEMIUGBAWYKOX-CYBMUJFWSA-N 0 0 444.931 4.008 50 0 IIAARN Nn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000059803746 556804659 /nfs/dbraw/zinc/80/46/59/556804659.db2.gz JCLPEOBIWVYYQP-UHFFFAOYSA-N 0 0 435.484 4.321 50 0 IIAARN COc1cc(CCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000003219393 556805518 /nfs/dbraw/zinc/80/55/18/556805518.db2.gz XQYQLCRESXAJTF-UHFFFAOYSA-N 0 0 442.295 4.134 50 0 IIAARN COC(=O)[C@@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 ZINC000096402519 556807600 /nfs/dbraw/zinc/80/76/00/556807600.db2.gz RZUBKDBULVLSRI-DGVDTQEHSA-N 0 0 444.516 4.040 50 0 IIAARN CCCCc1cc2c(cc1O[C@H](CC)C(=O)OCC)occ(-n1ccccc1=O)c2=O ZINC000005467976 556810243 /nfs/dbraw/zinc/81/02/43/556810243.db2.gz RJGIBZLYNNAYQW-LJQANCHMSA-N 0 0 425.481 4.007 50 0 biogenic IIAARN Nn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1cccc(Cl)c1 ZINC000003364777 556812015 /nfs/dbraw/zinc/81/20/15/556812015.db2.gz BDKLPQPGBKOGDI-UHFFFAOYSA-N 0 0 441.916 4.358 50 0 IIAARN O=C(OCc1nc2ccccc2s1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000003370766 556812281 /nfs/dbraw/zinc/81/22/81/556812281.db2.gz BZIQHFVRJBUJAQ-UHFFFAOYSA-N 0 0 442.496 4.492 50 0 IIAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(Br)cc1F ZINC000003349610 556813613 /nfs/dbraw/zinc/81/36/13/556813613.db2.gz JDKPALUMBLYGJD-UHFFFAOYSA-N 0 0 436.064 4.273 50 0 IIAARN COCCCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003381669 556814106 /nfs/dbraw/zinc/81/41/06/556814106.db2.gz QOFOHMLPCNYCHY-UHFFFAOYSA-N 0 0 430.961 4.390 50 0 IIAARN Cc1cccc2c(=O)cc(CSc3nnc(COc4ccc(Cl)cc4)n3C)[nH]c12 ZINC000033064327 556819057 /nfs/dbraw/zinc/81/90/57/556819057.db2.gz OWKHNHQCEOGUGJ-UHFFFAOYSA-N 0 0 426.929 4.490 50 0 IIAARN Cc1ccc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1C ZINC000064591430 556825202 /nfs/dbraw/zinc/82/52/02/556825202.db2.gz DJJQWKPOJDWWHW-UHFFFAOYSA-N 0 0 429.524 4.075 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(Cl)s4)cc32)c1 ZINC000065002988 556831199 /nfs/dbraw/zinc/83/11/99/556831199.db2.gz NKRVNSQWPHIZKG-UHFFFAOYSA-N 0 0 446.981 4.391 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccccc4Cl)cc32)c1 ZINC000065003029 556831290 /nfs/dbraw/zinc/83/12/90/556831290.db2.gz OADGIWNLGRTPQW-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN Cc1ccc(F)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000065003700 556831695 /nfs/dbraw/zinc/83/16/95/556831695.db2.gz WEJZWGNJMRPZFF-KRWDZBQOSA-N 0 0 438.524 4.204 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000065003724 556831740 /nfs/dbraw/zinc/83/17/40/556831740.db2.gz OBNIBANLADJIEH-GOSISDBHSA-N 0 0 434.561 4.319 50 0 IIAARN COC(=O)c1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000019632016 556832940 /nfs/dbraw/zinc/83/29/40/556832940.db2.gz WUTVVFSBSCJFKS-SFHVURJKSA-N 0 0 440.546 4.414 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000065363310 556834869 /nfs/dbraw/zinc/83/48/69/556834869.db2.gz FJWUXJSOBXSJEM-IBGZPJMESA-N 0 0 446.555 4.222 50 0 IIAARN CCOC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CCCC2 ZINC000019643950 556838845 /nfs/dbraw/zinc/83/88/45/556838845.db2.gz HNOFXSCPDPWKSD-UHFFFAOYSA-N 0 0 445.610 4.028 50 0 IIAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc21 ZINC000022998693 556841080 /nfs/dbraw/zinc/84/10/80/556841080.db2.gz QTKSLGWSPMXHTQ-UHFFFAOYSA-N 0 0 439.581 4.209 50 0 IIAARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCCCC1 ZINC000067321377 556842257 /nfs/dbraw/zinc/84/22/57/556842257.db2.gz UWJPQMDJWUNIIL-UHFFFAOYSA-N 0 0 442.512 4.492 50 0 IIAARN O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011213701 556842556 /nfs/dbraw/zinc/84/25/56/556842556.db2.gz NRNPYVSJJSSTCP-OAQYLSRUSA-N 0 0 432.973 4.008 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c(C)c1 ZINC000011214095 556842923 /nfs/dbraw/zinc/84/29/23/556842923.db2.gz HZNZJMCWNBUHGX-HSZRJFAPSA-N 0 0 440.609 4.280 50 0 IIAARN Cc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)s2)cc1 ZINC000008721374 556843522 /nfs/dbraw/zinc/84/35/22/556843522.db2.gz HHSABKUASTVTHF-GOSISDBHSA-N 0 0 426.567 4.282 50 0 IIAARN COc1cccc(C2=N/C(=C/c3ccc(OCc4csc(C)n4)c(OC)c3)C(=O)O2)c1 ZINC000096814847 556846234 /nfs/dbraw/zinc/84/62/34/556846234.db2.gz QDVCSHZMINVLLJ-DJKKODMXSA-N 0 0 436.489 4.392 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008901678 556851360 /nfs/dbraw/zinc/85/13/60/556851360.db2.gz KGSNDEUBDPLTMC-KRWDZBQOSA-N 0 0 429.007 4.306 50 0 IIAARN Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4cccc(Br)c4)C3)nc2c1 ZINC000033072220 556852008 /nfs/dbraw/zinc/85/20/08/556852008.db2.gz PAGXADYPOIFJDX-MRXNPFEDSA-N 0 0 427.346 4.167 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000033078348 556853239 /nfs/dbraw/zinc/85/32/39/556853239.db2.gz GMUDFVVTCPVYBT-INIZCTEOSA-N 0 0 428.989 4.482 50 0 IIAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)Nc5cccnc5Cl)CC4)c32)cc1 ZINC000033084988 556855063 /nfs/dbraw/zinc/85/50/63/556855063.db2.gz SZEFQRXHOUQSGV-UHFFFAOYSA-N 0 0 448.914 4.497 50 0 IIAARN Cc1ccccc1CNC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c32)CC1 ZINC000033085062 556855098 /nfs/dbraw/zinc/85/50/98/556855098.db2.gz KGODVUOUYKGTDW-UHFFFAOYSA-N 0 0 445.498 4.265 50 0 IIAARN CCc1ccccc1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087827 556855461 /nfs/dbraw/zinc/85/54/61/556855461.db2.gz JBGSFEATQBKPLY-UHFFFAOYSA-N 0 0 443.594 4.087 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C ZINC000033087507 556857647 /nfs/dbraw/zinc/85/76/47/556857647.db2.gz DSKJCMRTBUEZRF-UHFFFAOYSA-N 0 0 444.944 4.336 50 0 IIAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N(C)c3ccccc3)c2sc1NC(C)=O ZINC000033113606 556860396 /nfs/dbraw/zinc/86/03/96/556860396.db2.gz UEZQTZVUWYUVSL-UHFFFAOYSA-N 0 0 440.521 4.387 50 0 IIAARN CCCn1c(SCC(=O)NCc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114473 556861522 /nfs/dbraw/zinc/86/15/22/556861522.db2.gz UYLBCDFCXLTTTQ-UHFFFAOYSA-N 0 0 446.576 4.221 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)cc1Cl ZINC000033114794 556861540 /nfs/dbraw/zinc/86/15/40/556861540.db2.gz XDAHMEIZVIXHOI-UHFFFAOYSA-N 0 0 426.904 4.156 50 0 IIAARN CCOCCCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115976 556861710 /nfs/dbraw/zinc/86/17/10/556861710.db2.gz OLTFDSDDHBRDTF-UHFFFAOYSA-N 0 0 449.551 4.280 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(Cc4ccc(C)cc4)n3)cc2)cc1 ZINC000033122875 556864094 /nfs/dbraw/zinc/86/40/94/556864094.db2.gz HFBZMMODEHNHOE-UHFFFAOYSA-N 0 0 435.505 4.445 50 0 IIAARN COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1OC ZINC000033127951 556864797 /nfs/dbraw/zinc/86/47/97/556864797.db2.gz HFISSCXQLURJIM-NRFANRHFSA-N 0 0 445.519 4.026 50 0 IIAARN Cc1cc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)C(C)C)ccc1Br ZINC000033127587 556864832 /nfs/dbraw/zinc/86/48/32/556864832.db2.gz ZOPVKFDVYFLUHM-IBGZPJMESA-N 0 0 430.346 4.493 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCCCc3ccccc3)ccc2=O)cc1Cl ZINC000033128175 556865008 /nfs/dbraw/zinc/86/50/08/556865008.db2.gz WHOGPNCWWAXMRQ-KRWDZBQOSA-N 0 0 441.984 4.424 50 0 IIAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccccc3F)ccc2=O)cc1Cl ZINC000033128234 556865259 /nfs/dbraw/zinc/86/52/59/556865259.db2.gz YQKGLTPPEMVXTG-CQSZACIVSA-N 0 0 431.920 4.130 50 0 IIAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(Br)c3)ccc2=O)cc1 ZINC000033128342 556865598 /nfs/dbraw/zinc/86/55/98/556865598.db2.gz JLXIJOWGIGDAQG-CQSZACIVSA-N 0 0 444.354 4.423 50 0 IIAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1C ZINC000033125197 556866488 /nfs/dbraw/zinc/86/64/88/556866488.db2.gz JRFBGEGGFRDRIV-HNNXBMFYSA-N 0 0 431.414 4.274 50 0 IIAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000033125398 556866534 /nfs/dbraw/zinc/86/65/34/556866534.db2.gz CUPYGKQAQOXFFH-FQEVSTJZSA-N 0 0 448.567 4.410 50 0 IIAARN Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cs2)cc1 ZINC000004675252 556870897 /nfs/dbraw/zinc/87/08/97/556870897.db2.gz ARZLGGTZNYCDPH-KRWDZBQOSA-N 0 0 426.586 4.306 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1 ZINC000033141981 556877346 /nfs/dbraw/zinc/87/73/46/556877346.db2.gz SBUINCRBDYRQET-UHFFFAOYSA-N 0 0 431.496 4.082 50 0 IIAARN CCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141734 556878071 /nfs/dbraw/zinc/87/80/71/556878071.db2.gz OGJBLPLABGHZDU-UHFFFAOYSA-N 0 0 444.578 4.210 50 0 IIAARN COc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000033141802 556878266 /nfs/dbraw/zinc/87/82/66/556878266.db2.gz KECZXNAUIHZFQT-UHFFFAOYSA-N 0 0 446.550 4.151 50 0 IIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c1 ZINC000033168719 556880939 /nfs/dbraw/zinc/88/09/39/556880939.db2.gz MDZUUQJMQCLTIA-FQEVSTJZSA-N 0 0 448.592 4.478 50 0 IIAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCc3ccc(OC)cc3)cc2)c1=O ZINC000033171747 556882658 /nfs/dbraw/zinc/88/26/58/556882658.db2.gz KELVEUVMLZOFFQ-UHFFFAOYSA-N 0 0 427.504 4.412 50 0 biogenic IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N ZINC000033171883 556882674 /nfs/dbraw/zinc/88/26/74/556882674.db2.gz CGQUMWZWKSLZFH-AWEZNQCLSA-N 0 0 442.972 4.060 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1ncnc2c3cc(OC)c(OC)cc3[nH]c21 ZINC000033172756 556883102 /nfs/dbraw/zinc/88/31/02/556883102.db2.gz FEJGRHGOJNMODZ-UHFFFAOYSA-N 0 0 438.509 4.258 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1cccc(OC)c1 ZINC000033173641 556883542 /nfs/dbraw/zinc/88/35/42/556883542.db2.gz VZESQVAICZVSKK-UHFFFAOYSA-N 0 0 440.443 4.410 50 0 IIAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)cc1 ZINC000033174450 556884312 /nfs/dbraw/zinc/88/43/12/556884312.db2.gz BMSFGFWSKPLZBV-UHFFFAOYSA-N 0 0 444.438 4.486 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)nc2cccnc21 ZINC000033170472 556885838 /nfs/dbraw/zinc/88/58/38/556885838.db2.gz SZNWJAARIMOQFE-QGZVFWFLSA-N 0 0 442.519 4.368 50 0 IIAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000004710330 556888681 /nfs/dbraw/zinc/88/86/81/556888681.db2.gz LLPAFSNNROFWEX-UHFFFAOYSA-N 0 0 428.573 4.071 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249356 556889182 /nfs/dbraw/zinc/88/91/82/556889182.db2.gz BQRNHGWWHPRKFD-UHFFFAOYSA-N 0 0 446.981 4.218 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4)nc4ccccc4n3c2=O)c1 ZINC000033262549 556900811 /nfs/dbraw/zinc/90/08/11/556900811.db2.gz DDNIQKFXQODOOO-UHFFFAOYSA-N 0 0 441.516 4.143 50 0 IIAARN Clc1ccc(Cn2c3ccccc3c3nnc(SCCN4CCOCC4)nc32)cc1 ZINC000019797020 556916311 /nfs/dbraw/zinc/91/63/11/556916311.db2.gz NCYQTUBUYHCIRB-UHFFFAOYSA-N 0 0 439.972 4.106 50 0 IIAARN CCCCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OCC ZINC000019807952 556918353 /nfs/dbraw/zinc/91/83/53/556918353.db2.gz QRBXOJASOWUWLX-QGOAFFKASA-N 0 0 427.551 4.005 50 0 IIAARN CCc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1ccc(F)cc1 ZINC000019821377 556924434 /nfs/dbraw/zinc/92/44/34/556924434.db2.gz BPCNZJMPVAFULM-UHFFFAOYSA-N 0 0 428.423 4.131 50 0 IIAARN O=C(c1cc(F)cc2c1OCOC2)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019835168 556928130 /nfs/dbraw/zinc/92/81/30/556928130.db2.gz XZXLTQQMDYGJAL-UHFFFAOYSA-N 0 0 430.479 4.220 50 0 IIAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000019858186 556931820 /nfs/dbraw/zinc/93/18/20/556931820.db2.gz VQJNUTDCKHATJX-MRXNPFEDSA-N 0 0 440.487 4.194 50 0 IIAARN CSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860459 556932749 /nfs/dbraw/zinc/93/27/49/556932749.db2.gz YWBOQUVXSMKINS-INIZCTEOSA-N 0 0 439.002 4.242 50 0 IIAARN O=C(c1cc2cccc3c2n(c1=O)CC3)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019862126 556933942 /nfs/dbraw/zinc/93/39/42/556933942.db2.gz JGFWJTLJYGMCTC-UHFFFAOYSA-N 0 0 449.554 4.105 50 0 IIAARN c1ccc(CCNc2ncnc3c4c5c(c(N6CCOCC6)nc4sc32)CCC5)cc1 ZINC000019874154 556935826 /nfs/dbraw/zinc/93/58/26/556935826.db2.gz XSUVTRNDYYSGMQ-UHFFFAOYSA-N 0 0 431.565 4.219 50 0 IIAARN CC(C)OCCCN(Cn1c2ccccc2sc1=O)Cn1c2ccccc2sc1=O ZINC000019880431 556936816 /nfs/dbraw/zinc/93/68/16/556936816.db2.gz FVEZGLLKVHKMHS-UHFFFAOYSA-N 0 0 443.594 4.172 50 0 IIAARN COc1ccc(CN2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)c(OC)c1 ZINC000019888699 556938511 /nfs/dbraw/zinc/93/85/11/556938511.db2.gz RGMDMIWNVCZQAN-UHFFFAOYSA-N 0 0 446.547 4.094 50 0 IIAARN COc1ccc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000019904708 556942378 /nfs/dbraw/zinc/94/23/78/556942378.db2.gz YRLIGRONCZURLA-UHFFFAOYSA-N 0 0 430.548 4.180 50 0 IIAARN COC(=O)[C@@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000019907322 556942706 /nfs/dbraw/zinc/94/27/06/556942706.db2.gz CVDHVRYSSGYHQW-BJKOFHAPSA-N 0 0 432.495 4.488 50 0 IIAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc(F)cc1 ZINC000019930614 556948368 /nfs/dbraw/zinc/94/83/68/556948368.db2.gz PWRRSIHDJBNCKJ-UHFFFAOYSA-N 0 0 438.459 4.068 50 0 IIAARN CSc1ccc([C@H]2N=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000020028277 556967583 /nfs/dbraw/zinc/96/75/83/556967583.db2.gz AEJBNXWFULGOFT-QFIPXVFZSA-N 0 0 446.580 4.131 50 0 IIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000020033226 556969154 /nfs/dbraw/zinc/96/91/54/556969154.db2.gz ZMTHQTUJRUFQPI-RUZDIDTESA-N 0 0 447.510 4.438 50 0 IIAARN COc1cc(NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc(OC)c1 ZINC000033264321 556974030 /nfs/dbraw/zinc/97/40/30/556974030.db2.gz BIRXEJKFDHOWFU-LJQANCHMSA-N 0 0 425.529 4.254 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 ZINC000033266490 556976835 /nfs/dbraw/zinc/97/68/35/556976835.db2.gz BLZIYUDFBGZGQU-UHFFFAOYSA-N 0 0 425.536 4.238 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c1C ZINC000096996540 556978381 /nfs/dbraw/zinc/97/83/81/556978381.db2.gz QBVFDSQARMJISX-KGENOOAVSA-N 0 0 444.520 4.305 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000020068978 556978377 /nfs/dbraw/zinc/97/83/77/556978377.db2.gz YQLZLBHNEDMOKY-WOJBJXKFSA-N 0 0 431.496 4.482 50 0 IIAARN Cc1cc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)no1 ZINC000020066809 556978392 /nfs/dbraw/zinc/97/83/92/556978392.db2.gz FEZQHQCTWZUCTA-UHFFFAOYSA-N 0 0 431.231 4.447 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000020068984 556978412 /nfs/dbraw/zinc/97/84/12/556978412.db2.gz YQLZLBHNEDMOKY-PMACEKPBSA-N 0 0 431.496 4.482 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095658 556979458 /nfs/dbraw/zinc/97/94/58/556979458.db2.gz UQNQNBFRMNGKNK-QHCPKHFHSA-N 0 0 447.535 4.396 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c(OC)c1 ZINC000020095749 556979710 /nfs/dbraw/zinc/97/97/10/556979710.db2.gz LTJLOBICGCJJNX-KRWDZBQOSA-N 0 0 447.535 4.314 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000020100647 556979969 /nfs/dbraw/zinc/97/99/69/556979969.db2.gz KCTGDQISUXHYCB-UHFFFAOYSA-N 0 0 444.450 4.025 50 0 IIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000020105899 556982414 /nfs/dbraw/zinc/98/24/14/556982414.db2.gz QXIKFOQCXRNIIA-QHCPKHFHSA-N 0 0 438.524 4.215 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033268562 556985142 /nfs/dbraw/zinc/98/51/42/556985142.db2.gz BDOQPZWAJZIMEN-UHFFFAOYSA-N 0 0 429.476 4.233 50 0 IIAARN COC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)nc1N(C)Cc1ccccc1 ZINC000020117831 556987125 /nfs/dbraw/zinc/98/71/25/556987125.db2.gz ZZJVGXLRXLJZTD-QHCPKHFHSA-N 0 0 429.520 4.163 50 0 IIAARN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020146343 556990618 /nfs/dbraw/zinc/99/06/18/556990618.db2.gz ZNYZAEGMADSLPD-UHFFFAOYSA-N 0 0 447.966 4.327 50 0 IIAARN CC(C)(C)c1cc([C@H](c2ccncc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O ZINC000020192126 556996233 /nfs/dbraw/zinc/99/62/33/556996233.db2.gz NRTPCGCHVLRMHY-QHCPKHFHSA-N 0 0 425.617 4.082 50 0 IIAARN O=C(c1ccc(N2CCCC2=O)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000023079772 556996543 /nfs/dbraw/zinc/99/65/43/556996543.db2.gz VCNGOGMJPZUUJU-UHFFFAOYSA-N 0 0 436.899 4.322 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)c1 ZINC000023126301 557007918 /nfs/dbraw/zinc/00/79/18/557007918.db2.gz SXECBCPVROGEMP-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN O=C1COc2cc(Cl)ccc2N1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000023126570 557008626 /nfs/dbraw/zinc/00/86/26/557008626.db2.gz MOIDWXAOFORHHG-UHFFFAOYSA-N 0 0 425.750 4.214 50 0 IIAARN Clc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccncc5)nn43)CC2)c1 ZINC000020377136 557012249 /nfs/dbraw/zinc/01/22/49/557012249.db2.gz CKWHYZMSPSMQKA-UHFFFAOYSA-N 0 0 441.926 4.320 50 0 IIAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000098003466 557012522 /nfs/dbraw/zinc/01/25/22/557012522.db2.gz XEWOQDCFPFRTCM-PFONDFGASA-N 0 0 443.503 4.102 50 0 IIAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2cccc(C)c2)n1)CCN(C)C3 ZINC000020394674 557013097 /nfs/dbraw/zinc/01/30/97/557013097.db2.gz ZVLIUMFZUOASKW-UHFFFAOYSA-N 0 0 430.624 4.440 50 0 IIAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C)n1)CCN(C)C3 ZINC000020395328 557013508 /nfs/dbraw/zinc/01/35/08/557013508.db2.gz FSAFXPWUROWYCG-UHFFFAOYSA-N 0 0 430.624 4.440 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cccc(F)c5)n4ccn3n2)cc1 ZINC000045971275 557014249 /nfs/dbraw/zinc/01/42/49/557014249.db2.gz JIKCUIHGLZMQGR-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccc(C)cc4)nn3ccn12 ZINC000045971261 557014289 /nfs/dbraw/zinc/01/42/89/557014289.db2.gz XRUHLYBDDNQVNO-UHFFFAOYSA-N 0 0 444.520 4.092 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5F)n4ccn3n2)cc1 ZINC000045971273 557014344 /nfs/dbraw/zinc/01/43/44/557014344.db2.gz DXJLXGNWVQNSOZ-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000020414172 557014477 /nfs/dbraw/zinc/01/44/77/557014477.db2.gz ZKDUKOJRYIRXHW-QGZVFWFLSA-N 0 0 445.548 4.135 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21 ZINC000045998004 557015475 /nfs/dbraw/zinc/01/54/75/557015475.db2.gz TVJONIPUBCMOPD-UHFFFAOYSA-N 0 0 437.565 4.007 50 0 IIAARN COc1ccc(CNC(=O)COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000045990818 557016776 /nfs/dbraw/zinc/01/67/76/557016776.db2.gz OYWAMDSANYVLOY-UHFFFAOYSA-N 0 0 430.508 4.050 50 0 IIAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N2CCCC2)cc3C(F)(F)F)cc1 ZINC000045991311 557017082 /nfs/dbraw/zinc/01/70/82/557017082.db2.gz ZPCSLBORSAUEMN-UHFFFAOYSA-N 0 0 432.446 4.311 50 0 IIAARN COc1ccc2c(COC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc(=O)oc2c1 ZINC000010690911 557017562 /nfs/dbraw/zinc/01/75/62/557017562.db2.gz XHWDHINCCCZDAX-UHFFFAOYSA-N 0 0 439.464 4.183 50 0 IIAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc(-c3ccccc3)c12 ZINC000045992101 557017597 /nfs/dbraw/zinc/01/75/97/557017597.db2.gz LROAIDCJYDCBOH-HNNXBMFYSA-N 0 0 430.464 4.078 50 0 IIAARN COc1cccc(CSc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)[nH]2)c1 ZINC000023138184 557018626 /nfs/dbraw/zinc/01/86/26/557018626.db2.gz FIGCHQKMYPSRNW-UHFFFAOYSA-N 0 0 433.892 4.045 50 0 IIAARN COc1ccc(CCN2C(=O)O[C@H](c3ccc(OC)cc3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427218 557021136 /nfs/dbraw/zinc/02/11/36/557021136.db2.gz BMGZPSGFNQOESX-AOYPEHQESA-N 0 0 449.503 4.294 50 0 IIAARN COc1ccc(NC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)c(OC)c1 ZINC000023138716 557022119 /nfs/dbraw/zinc/02/21/19/557022119.db2.gz MRUZNDBUZSINLX-OAHLLOKOSA-N 0 0 439.537 4.130 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(c2c3c(nc4nc(-c5ccco5)nn42)CCC3)CC1 ZINC000046022683 557022665 /nfs/dbraw/zinc/02/26/65/557022665.db2.gz PULMHCIQRLLYTJ-UHFFFAOYSA-N 0 0 434.931 4.161 50 0 IIAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c2c(c1=O)CCCC2 ZINC000046027554 557023468 /nfs/dbraw/zinc/02/34/68/557023468.db2.gz GSOWQHFUFZTLMI-UHFFFAOYSA-N 0 0 441.528 4.057 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)cc(OCC)c1OCC ZINC000010751144 557024934 /nfs/dbraw/zinc/02/49/34/557024934.db2.gz CURPUYQQFAIZDV-UHFFFAOYSA-N 0 0 435.904 4.009 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000023143010 557025076 /nfs/dbraw/zinc/02/50/76/557025076.db2.gz OACKVXFTNXYWLK-CQSZACIVSA-N 0 0 432.402 4.490 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000046043820 557025426 /nfs/dbraw/zinc/02/54/26/557025426.db2.gz ZNQPXENDPOUWRA-HNNXBMFYSA-N 0 0 436.430 4.214 50 0 IIAARN COc1ccccc1OCC(=O)N(CCn1cccn1)c1nc2c(cccc2Cl)s1 ZINC000023144772 557026537 /nfs/dbraw/zinc/02/65/37/557026537.db2.gz WERYRTKNMMICAM-UHFFFAOYSA-N 0 0 442.928 4.267 50 0 IIAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1ccc3c(c1)OCCO3)CC(=O)N2 ZINC000046057617 557029244 /nfs/dbraw/zinc/02/92/44/557029244.db2.gz FYFSTTCREATXJB-HNNXBMFYSA-N 0 0 437.883 4.222 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CCCC4)cc3c2)cc1 ZINC000046058941 557029862 /nfs/dbraw/zinc/02/98/62/557029862.db2.gz QAKRLRABKYMSAG-UHFFFAOYSA-N 0 0 444.578 4.407 50 0 IIAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157163 557029924 /nfs/dbraw/zinc/02/99/24/557029924.db2.gz HLMKQPCDVLZVDM-LJQANCHMSA-N 0 0 442.585 4.293 50 0 IIAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(C)o1 ZINC000046085332 557035735 /nfs/dbraw/zinc/03/57/35/557035735.db2.gz SXEPNEHPKSLVFB-OAQYLSRUSA-N 0 0 437.521 4.477 50 0 IIAARN C[C@H](NC(=O)COC(=O)c1ccccc1COc1ccccc1)c1ccc2c(c1)OCO2 ZINC000010853946 557039946 /nfs/dbraw/zinc/03/99/46/557039946.db2.gz RVORWRMOWPALRW-KRWDZBQOSA-N 0 0 433.460 4.029 50 0 IIAARN CCN(CC(=O)NC(C)C)C(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c21 ZINC000048272133 557050901 /nfs/dbraw/zinc/05/09/01/557050901.db2.gz WYJURBYVCNULCJ-UHFFFAOYSA-N 0 0 448.445 4.204 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(-c3ccccn3)no1)CC2 ZINC000048273510 557051112 /nfs/dbraw/zinc/05/11/12/557051112.db2.gz CYHZAOFPZGZBFY-QFIPXVFZSA-N 0 0 434.521 4.358 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2cc(C)ccc2OC)cc1 ZINC000017306537 557052314 /nfs/dbraw/zinc/05/23/14/557052314.db2.gz IHVXXCIHFATLSL-UHFFFAOYSA-N 0 0 425.510 4.097 50 0 IIAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)s1 ZINC000033272902 557052882 /nfs/dbraw/zinc/05/28/82/557052882.db2.gz QTWLBCXMYWVZHL-UHFFFAOYSA-N 0 0 428.464 4.088 50 0 IIAARN CCOc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000017307665 557053775 /nfs/dbraw/zinc/05/37/75/557053775.db2.gz WVSMVBXJEWOUFJ-KRWDZBQOSA-N 0 0 425.428 4.062 50 0 IIAARN CCOc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000017307804 557053798 /nfs/dbraw/zinc/05/37/98/557053798.db2.gz IDYPYJWJAJOMCO-UHFFFAOYSA-N 0 0 443.956 4.468 50 0 IIAARN COc1ccccc1OCCSc1nnc(COc2ccc3c(c2)CCCC3)n1C ZINC000004736061 557054767 /nfs/dbraw/zinc/05/47/67/557054767.db2.gz OEIXZLHILFZLBV-UHFFFAOYSA-N 0 0 425.554 4.453 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000017335622 557060741 /nfs/dbraw/zinc/06/07/41/557060741.db2.gz GEMZVSFGVCQBND-UHFFFAOYSA-N 0 0 448.413 4.023 50 0 IIAARN O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000033287343 557064250 /nfs/dbraw/zinc/06/42/50/557064250.db2.gz YSTJYDXFGBREPS-UHFFFAOYSA-N 0 0 430.430 4.044 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)c1 ZINC000033288748 557066092 /nfs/dbraw/zinc/06/60/92/557066092.db2.gz PEEMJNSXFQMXGD-HXUWFJFHSA-N 0 0 448.592 4.478 50 0 IIAARN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000048325608 557066270 /nfs/dbraw/zinc/06/62/70/557066270.db2.gz AZQMYMVYAUITMZ-UHFFFAOYSA-N 0 0 426.314 4.071 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2cc(OC)ccc2OC)c2cnn(C)c2)cc1 ZINC000048333917 557068477 /nfs/dbraw/zinc/06/84/77/557068477.db2.gz OEZSEOWBOCKFCR-KRWDZBQOSA-N 0 0 443.569 4.346 50 0 IIAARN Clc1ccc(-c2cc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000048326451 557068802 /nfs/dbraw/zinc/06/88/02/557068802.db2.gz XDWOEZCPXKWZRE-LPHOPBHVSA-N 0 0 444.988 4.161 50 0 IIAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048331938 557069324 /nfs/dbraw/zinc/06/93/24/557069324.db2.gz WMLFMEBRIGXEAQ-UGKGYDQZSA-N 0 0 448.567 4.044 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000033289939 557071855 /nfs/dbraw/zinc/07/18/55/557071855.db2.gz SAXFBAUYZAXOAY-UHFFFAOYSA-N 0 0 435.908 4.406 50 0 IIAARN O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC000023186590 557071809 /nfs/dbraw/zinc/07/18/09/557071809.db2.gz KADJURDAQQACEW-SFHVURJKSA-N 0 0 425.273 4.129 50 0 IIAARN O=C(Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)c1)C1CCC1 ZINC000033296666 557072577 /nfs/dbraw/zinc/07/25/77/557072577.db2.gz FTFCGJRHCGGXQG-HNNXBMFYSA-N 0 0 445.441 4.436 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3sccc3C2)c1 ZINC000010885591 557074270 /nfs/dbraw/zinc/07/42/70/557074270.db2.gz PCIASLYBTPWODN-UHFFFAOYSA-N 0 0 446.981 4.425 50 0 IIAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033299068 557075331 /nfs/dbraw/zinc/07/53/31/557075331.db2.gz JRRKCILKKYXWRV-UHFFFAOYSA-N 0 0 444.987 4.075 50 0 IIAARN CCOC(=O)[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)CC ZINC000004752040 557076573 /nfs/dbraw/zinc/07/65/73/557076573.db2.gz MEDXIJAZHCJOLO-CTNGQTDRSA-N 0 0 428.573 4.211 50 0 IIAARN COc1ccc(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1F ZINC000014890773 557077806 /nfs/dbraw/zinc/07/78/06/557077806.db2.gz SYRLQOCJUSKMJT-UHFFFAOYSA-N 0 0 438.455 4.285 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NC2CCCCCC2)cc1 ZINC000048991131 557080502 /nfs/dbraw/zinc/08/05/02/557080502.db2.gz HYQHNPFGLKOWRH-UHFFFAOYSA-N 0 0 436.599 4.425 50 0 IIAARN CCCn1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c(=O)c2cc(F)ccc21 ZINC000049001958 557081340 /nfs/dbraw/zinc/08/13/40/557081340.db2.gz PTCOCDZNTZVWDD-UHFFFAOYSA-N 0 0 439.443 4.293 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1OC ZINC000048985188 557081884 /nfs/dbraw/zinc/08/18/84/557081884.db2.gz NWWZZARZXZSSBJ-WLRTZDKTSA-N 0 0 442.479 4.075 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1 ZINC000048988677 557083054 /nfs/dbraw/zinc/08/30/54/557083054.db2.gz LRNATTAXJGVEMG-UHFFFAOYSA-N 0 0 428.492 4.287 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)C1 ZINC000033302564 557083675 /nfs/dbraw/zinc/08/36/75/557083675.db2.gz LDAFMTVXNBKSIH-MRXNPFEDSA-N 0 0 448.523 4.441 50 0 IIAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049004865 557084024 /nfs/dbraw/zinc/08/40/24/557084024.db2.gz ZIDDFHXJHINJCW-UHFFFAOYSA-N 0 0 432.402 4.053 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000023336038 557084886 /nfs/dbraw/zinc/08/48/86/557084886.db2.gz ADMKWWACORMBSO-ZDUSSCGKSA-N 0 0 426.469 4.175 50 0 IIAARN Cc1nc(SCC(=O)Nc2ccc(Br)cc2F)cc(-c2ccccn2)n1 ZINC000049007143 557085700 /nfs/dbraw/zinc/08/57/00/557085700.db2.gz OAOCVKCKZMBLJJ-UHFFFAOYSA-N 0 0 433.306 4.479 50 0 IIAARN C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049025895 557087962 /nfs/dbraw/zinc/08/79/62/557087962.db2.gz TVUPLPOLKCWVQI-INIZCTEOSA-N 0 0 448.523 4.093 50 0 IIAARN CSc1ccccc1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)o1 ZINC000049028986 557088592 /nfs/dbraw/zinc/08/85/92/557088592.db2.gz LESVYBAAHHRKPI-UHFFFAOYSA-N 0 0 425.539 4.184 50 0 IIAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc21 ZINC000023382055 557089205 /nfs/dbraw/zinc/08/92/05/557089205.db2.gz AUEUVXKCEBAGQA-QGZVFWFLSA-N 0 0 447.322 4.296 50 0 IIAARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382304 557089624 /nfs/dbraw/zinc/08/96/24/557089624.db2.gz DCFDFPVSRRPJKH-FDDCHVKYSA-N 0 0 440.503 4.285 50 0 IIAARN CC(=O)c1ccc(N2CCN(C[C@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023389276 557090354 /nfs/dbraw/zinc/09/03/54/557090354.db2.gz SNDSIQFHZGRUAC-MHZLTWQESA-N 0 0 444.575 4.178 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cn1 ZINC000023452708 557092790 /nfs/dbraw/zinc/09/27/90/557092790.db2.gz MYNVXSXHKVYHRI-UHFFFAOYSA-N 0 0 449.576 4.286 50 0 IIAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363096 557094569 /nfs/dbraw/zinc/09/45/69/557094569.db2.gz KJBRKGJXTCOOAJ-UHFFFAOYSA-N 0 0 437.500 4.358 50 0 IIAARN O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)c2cccc(Br)c2)cc1 ZINC000033310723 557094665 /nfs/dbraw/zinc/09/46/65/557094665.db2.gz VNEUQCTUJDIUOC-LJQANCHMSA-N 0 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557099038 /nfs/dbraw/zinc/09/90/38/557099038.db2.gz LYEJPJAGVMUGRP-UHFFFAOYSA-N 0 0 434.920 4.123 50 0 IIAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000023562396 557099106 /nfs/dbraw/zinc/09/91/06/557099106.db2.gz BQTCDGUKHAWOCT-KRWDZBQOSA-N 0 0 429.549 4.264 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023569393 557099442 /nfs/dbraw/zinc/09/94/42/557099442.db2.gz NWJBDGOXTGNZBJ-UHFFFAOYSA-N 0 0 448.498 4.248 50 0 IIAARN O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)Nc1ccc2c(c1)OCCO2 ZINC000049405477 557100678 /nfs/dbraw/zinc/10/06/78/557100678.db2.gz SRSGQTSJEJLPIP-UHFFFAOYSA-N 0 0 446.488 4.301 50 0 IIAARN COc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)ccc2OC)cc1 ZINC000023626841 557101517 /nfs/dbraw/zinc/10/15/17/557101517.db2.gz GXJJPTMSWOJVMH-INIZCTEOSA-N 0 0 447.491 4.282 50 0 IIAARN Cc1nc2cc(NC(=O)[C@@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)ccc2o1 ZINC000017642970 557101715 /nfs/dbraw/zinc/10/17/15/557101715.db2.gz UNLSAQDJTTWJPB-LLVKDONJSA-N 0 0 428.539 4.311 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1)c1ccco1 ZINC000023640508 557101806 /nfs/dbraw/zinc/10/18/06/557101806.db2.gz LCGQRXQJFNHQNV-UHFFFAOYSA-N 0 0 429.929 4.205 50 0 IIAARN CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000049406661 557101839 /nfs/dbraw/zinc/10/18/39/557101839.db2.gz IQVUZBKYJGPTIM-UHFFFAOYSA-N 0 0 446.551 4.127 50 0 IIAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCN(CCOc2ccccc2)CC1 ZINC000023641894 557102220 /nfs/dbraw/zinc/10/22/20/557102220.db2.gz UPCIGMDCLWNPKZ-UHFFFAOYSA-N 0 0 438.531 4.134 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)cc1 ZINC000033320814 557104466 /nfs/dbraw/zinc/10/44/66/557104466.db2.gz CDJJYVFYPXRYJC-RBBKRZOGSA-N 0 0 441.531 4.305 50 0 IIAARN C[C@@H](NC(=O)c1cn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)cn1)c1ccc(F)cc1 ZINC000049420782 557107170 /nfs/dbraw/zinc/10/71/70/557107170.db2.gz CRNZZPAOPQVBDX-CQSZACIVSA-N 0 0 434.475 4.245 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccc(SC)cc3)c3ncccc3S2(=O)=O)c1 ZINC000049420952 557107395 /nfs/dbraw/zinc/10/73/95/557107395.db2.gz IXBUDUMNONBZFH-UHFFFAOYSA-N 0 0 441.534 4.275 50 0 IIAARN CSc1ccc(N2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 ZINC000049420951 557107474 /nfs/dbraw/zinc/10/74/74/557107474.db2.gz PQAOHZDZGUWLEV-UHFFFAOYSA-N 0 0 429.498 4.405 50 0 IIAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)NCc4ccco4)C2)nc3=O)cc1 ZINC000049421295 557107848 /nfs/dbraw/zinc/10/78/48/557107848.db2.gz YGCBFFYHHCWONA-QGZVFWFLSA-N 0 0 448.548 4.086 50 0 IIAARN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)C1 ZINC000049421356 557108105 /nfs/dbraw/zinc/10/81/05/557108105.db2.gz GGCBXVWQDIRCSF-SJLPKXTDSA-N 0 0 436.581 4.127 50 0 IIAARN Cc1csc(=O)n1CCCC(=O)N(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000023732277 557111644 /nfs/dbraw/zinc/11/16/44/557111644.db2.gz VIKZIJGGNNXOMY-UHFFFAOYSA-N 0 0 447.004 4.172 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000049547640 557112366 /nfs/dbraw/zinc/11/23/66/557112366.db2.gz ACDBYFVYDBTDNA-UHFFFAOYSA-N 0 0 430.555 4.396 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000011363861 557113765 /nfs/dbraw/zinc/11/37/65/557113765.db2.gz BWKDTZMPXATQCA-PBHICJAKSA-N 0 0 443.956 4.348 50 0 IIAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cc(-c2ccco2)on1 ZINC000049503884 557113879 /nfs/dbraw/zinc/11/38/79/557113879.db2.gz VQHLGZRLGSLCPF-UHFFFAOYSA-N 0 0 449.488 4.328 50 0 IIAARN Cc1c(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)cnn1-c1ccccc1 ZINC000049524331 557114461 /nfs/dbraw/zinc/11/44/61/557114461.db2.gz FVWVNNZFYUMNLS-IBGZPJMESA-N 0 0 430.508 4.210 50 0 IIAARN CC(C)c1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)n1C1CC1 ZINC000010929004 557115538 /nfs/dbraw/zinc/11/55/38/557115538.db2.gz GWCKXHNOMDXYSF-UHFFFAOYSA-N 0 0 430.393 4.065 50 0 IIAARN O=C(Nc1ccc(NC(=O)c2cccc(I)c2)cc1)c1ccco1 ZINC000000722477 557116156 /nfs/dbraw/zinc/11/61/56/557116156.db2.gz GUUHOKUNAUKKNX-UHFFFAOYSA-N 0 0 432.217 4.389 50 0 IIAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000023800977 557116418 /nfs/dbraw/zinc/11/64/18/557116418.db2.gz HYBBPCDKARDMGW-UHFFFAOYSA-N 0 0 437.547 4.201 50 0 IIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)C1=CCCCC1 ZINC000023805306 557117095 /nfs/dbraw/zinc/11/70/95/557117095.db2.gz VEMHHAVSWXJTRU-UHFFFAOYSA-N 0 0 448.489 4.302 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000023819092 557118649 /nfs/dbraw/zinc/11/86/49/557118649.db2.gz NISIXGDNBNRGHI-UHFFFAOYSA-N 0 0 445.951 4.059 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023873095 557121847 /nfs/dbraw/zinc/12/18/47/557121847.db2.gz STCXXLNCEGRSKB-HHHXNRCGSA-N 0 0 441.531 4.168 50 0 IIAARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1 ZINC000000627038 557121958 /nfs/dbraw/zinc/12/19/58/557121958.db2.gz GZOWEYDXOGYIOV-AWEZNQCLSA-N 0 0 443.693 4.369 50 0 IIAARN O=C([O-])/C(=C\C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000000627032 557122082 /nfs/dbraw/zinc/12/20/82/557122082.db2.gz GQWYRJOLGQCUMY-PLRJNAJWSA-N 0 0 441.531 4.116 50 0 IIAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000023878877 557122374 /nfs/dbraw/zinc/12/23/74/557122374.db2.gz PCYUDIFZSXWHRU-QFIPXVFZSA-N 0 0 443.515 4.432 50 0 IIAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000630544 557122745 /nfs/dbraw/zinc/12/27/45/557122745.db2.gz ABRDWLBAPZXIDH-UHFFFAOYSA-N 0 0 431.304 4.391 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(=O)n3cccc(C)c3n1)CC2 ZINC000023882524 557123177 /nfs/dbraw/zinc/12/31/77/557123177.db2.gz GWPSIDLSPHWBHU-DEOSSOPVSA-N 0 0 447.560 4.229 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000017862212 557126913 /nfs/dbraw/zinc/12/69/13/557126913.db2.gz HUSZVWBAEUJBOC-UHFFFAOYSA-N 0 0 429.236 4.487 50 0 IIAARN CCN(C(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000023937313 557126924 /nfs/dbraw/zinc/12/69/24/557126924.db2.gz KFZYMGBFDSKJIV-FQEVSTJZSA-N 0 0 449.624 4.456 50 0 IIAARN CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000023953421 557127298 /nfs/dbraw/zinc/12/72/98/557127298.db2.gz OAEGUBFNQOJWNR-UHFFFAOYSA-N 0 0 440.565 4.370 50 0 IIAARN CCOc1ccc2nc(NC(=O)CSc3nnc(Cc4ccccc4)n3C)sc2c1 ZINC000023970446 557128760 /nfs/dbraw/zinc/12/87/60/557128760.db2.gz GWDNBQFEDHGAHS-UHFFFAOYSA-N 0 0 439.566 4.145 50 0 IIAARN Cc1cc(CSc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)no1 ZINC000023995221 557130863 /nfs/dbraw/zinc/13/08/63/557130863.db2.gz GQDDERDEMDVNHE-UHFFFAOYSA-N 0 0 437.565 4.038 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000024080469 557135405 /nfs/dbraw/zinc/13/54/05/557135405.db2.gz UPOJIJCFAQURLQ-UHFFFAOYSA-N 0 0 435.307 4.212 50 0 IIAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000000696894 557137442 /nfs/dbraw/zinc/13/74/42/557137442.db2.gz NUNSILOSDFKIET-UHFFFAOYSA-N 0 0 432.411 4.063 50 0 IIAARN CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000003457728 557137757 /nfs/dbraw/zinc/13/77/57/557137757.db2.gz AZQJPJUAXJVPSQ-UHFFFAOYSA-N 0 0 428.489 4.200 50 0 IIAARN CC[C@H](C)NC(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000000707242 557140267 /nfs/dbraw/zinc/14/02/67/557140267.db2.gz MSIKHESDQJPTLF-QMMMGPOBSA-N 0 0 431.212 4.299 50 0 IIAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000024209313 557141208 /nfs/dbraw/zinc/14/12/08/557141208.db2.gz GKOWBONULAYUKY-UHFFFAOYSA-N 0 0 430.533 4.212 50 0 IIAARN CSCC[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000024341964 557144521 /nfs/dbraw/zinc/14/45/21/557144521.db2.gz FRKMTUOLJFYDDU-XYJFISCASA-N 0 0 443.594 4.046 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000024535801 557150439 /nfs/dbraw/zinc/15/04/39/557150439.db2.gz OFOBWOQTTBSQDV-UHFFFAOYSA-N 0 0 433.533 4.004 50 0 IIAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608579 557153896 /nfs/dbraw/zinc/15/38/96/557153896.db2.gz ZAZDSJSAWUXARZ-UHFFFAOYSA-N 0 0 434.989 4.391 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610502 557154824 /nfs/dbraw/zinc/15/48/24/557154824.db2.gz IPZAJSFNRVJCJK-GOSISDBHSA-N 0 0 449.016 4.019 50 0 IIAARN COCCCNC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CCCC2 ZINC000024639730 557156902 /nfs/dbraw/zinc/15/69/02/557156902.db2.gz XNEXHAFAHLRSAQ-UHFFFAOYSA-N 0 0 438.496 4.247 50 0 IIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2)c1C ZINC000024653744 557157357 /nfs/dbraw/zinc/15/73/57/557157357.db2.gz SHGLXYPWUDTFDB-UHFFFAOYSA-N 0 0 428.492 4.037 50 0 IIAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024683764 557158705 /nfs/dbraw/zinc/15/87/05/557158705.db2.gz VIJNKQOLZQJVAA-ZDUSSCGKSA-N 0 0 426.416 4.295 50 0 IIAARN COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000043983736 557160611 /nfs/dbraw/zinc/16/06/11/557160611.db2.gz AEMWTTAJTDUSKK-UHFFFAOYSA-N 0 0 447.329 4.099 50 0 IIAARN Cc1ccccc1-c1cc(C(=O)N2CCN(C(=O)CC(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000024745685 557161423 /nfs/dbraw/zinc/16/14/23/557161423.db2.gz IFLNKOFCRJIHHQ-UHFFFAOYSA-N 0 0 447.583 4.318 50 0 IIAARN Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000024755921 557163275 /nfs/dbraw/zinc/16/32/75/557163275.db2.gz ONGCPYBUPYCQTG-UHFFFAOYSA-N 0 0 445.711 4.269 50 0 IIAARN Cc1cccn2cc(-c3ccccc3NC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 ZINC000206901937 557165650 /nfs/dbraw/zinc/16/56/50/557165650.db2.gz RSRVBWDCNSRHSK-KRWDZBQOSA-N 0 0 428.467 4.440 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-c2cccs2)ccc1=O ZINC000206899514 557165671 /nfs/dbraw/zinc/16/56/71/557165671.db2.gz HNSIIBKQAAHFDJ-MRXNPFEDSA-N 0 0 441.516 4.486 50 0 IIAARN COC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000024831784 557170611 /nfs/dbraw/zinc/17/06/11/557170611.db2.gz DDYVUHNAKWDTQO-UHFFFAOYSA-N 0 0 443.883 4.433 50 0 IIAARN CCCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000008740424 557170895 /nfs/dbraw/zinc/17/08/95/557170895.db2.gz QYVHMNFSAAPKOQ-IMRHEYAYSA-N 0 0 444.553 4.476 50 0 biogenic IIAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000024864357 557172247 /nfs/dbraw/zinc/17/22/47/557172247.db2.gz QZNYUECDSWAFFL-UHFFFAOYSA-N 0 0 446.315 4.275 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)s1 ZINC000024864801 557174919 /nfs/dbraw/zinc/17/49/19/557174919.db2.gz RASILKBGAZLYLQ-GFCCVEGCSA-N 0 0 433.382 4.403 50 0 IIAARN COc1ccc(Br)c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 ZINC000024897655 557177593 /nfs/dbraw/zinc/17/75/93/557177593.db2.gz FWANAZGKAALVPM-UHFFFAOYSA-N 0 0 426.270 4.357 50 0 IIAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)CC2=O)c1C ZINC000024917787 557178606 /nfs/dbraw/zinc/17/86/06/557178606.db2.gz UPAAECRNAOXZOA-QGZVFWFLSA-N 0 0 434.521 4.004 50 0 IIAARN Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccc5c(c4)OCCO5)cc3)cn2c1 ZINC000024924480 557179403 /nfs/dbraw/zinc/17/94/03/557179403.db2.gz OHQXNMMXFBVALY-UHFFFAOYSA-N 0 0 443.503 4.265 50 0 IIAARN Cc1ccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c2c1[C@@H](C)CC2=O ZINC000024924960 557179447 /nfs/dbraw/zinc/17/94/47/557179447.db2.gz FVDKUYAFGRGCBP-INIZCTEOSA-N 0 0 427.570 4.391 50 0 IIAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000024925412 557179656 /nfs/dbraw/zinc/17/96/56/557179656.db2.gz KQNDQOIUPAMKOC-UHFFFAOYSA-N 0 0 431.583 4.235 50 0 IIAARN O=C(Nc1ccc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1)c1ccco1 ZINC000011552191 557183682 /nfs/dbraw/zinc/18/36/82/557183682.db2.gz ZWANFVBVBKCCCS-IBGZPJMESA-N 0 0 446.507 4.092 50 0 IIAARN COc1ccccc1OCC(=O)N[C@@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000024974190 557184226 /nfs/dbraw/zinc/18/42/26/557184226.db2.gz DLUPUFLPQMGBKQ-AWEZNQCLSA-N 0 0 433.430 4.464 50 0 IIAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009327715 557186714 /nfs/dbraw/zinc/18/67/14/557186714.db2.gz LYWLCMKUYVCOIE-UHFFFAOYSA-N 0 0 448.548 4.397 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CC)cc1 ZINC000100821217 557187585 /nfs/dbraw/zinc/18/75/85/557187585.db2.gz NYAWVUUXDMJVHM-FCQUAONHSA-N 0 0 445.610 4.275 50 0 IIAARN CC(C)Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cccnc1 ZINC000009426917 557188944 /nfs/dbraw/zinc/18/89/44/557188944.db2.gz IDYDQIVHMOBFRO-UHFFFAOYSA-N 0 0 425.602 4.173 50 0 IIAARN CCOc1cc(C(=O)/N=c2/sc3cccc(OC)c3n2C)cc(OCC)c1OCC ZINC000100843453 557191362 /nfs/dbraw/zinc/19/13/62/557191362.db2.gz DYAOPXUQPBFUOY-GHVJWSGMSA-N 0 0 430.526 4.186 50 0 IIAARN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@H](O)COCc1cccs1 ZINC000025059463 557192773 /nfs/dbraw/zinc/19/27/73/557192773.db2.gz IRVPJWAICGEUIM-HNNXBMFYSA-N 0 0 432.954 4.418 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC[C@@H]2c2nc3ccccc3s2)nc1 ZINC000025066366 557193949 /nfs/dbraw/zinc/19/39/49/557193949.db2.gz JZJACXVSUSKPHY-GOSISDBHSA-N 0 0 430.599 4.453 50 0 IIAARN COc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000025095486 557195221 /nfs/dbraw/zinc/19/52/21/557195221.db2.gz SIEDWKJJPXELET-UHFFFAOYSA-N 0 0 447.900 4.267 50 0 IIAARN Cc1c(C(=O)Nc2cccc(Cn3ccnc3)c2)cnn1-c1ccc(Br)cc1 ZINC000025178841 557198578 /nfs/dbraw/zinc/19/85/78/557198578.db2.gz XPXLGXCBEILHSZ-UHFFFAOYSA-N 0 0 436.313 4.440 50 0 IIAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000025179395 557198591 /nfs/dbraw/zinc/19/85/91/557198591.db2.gz DAYKJAAECBHYMN-UHFFFAOYSA-N 0 0 426.455 4.299 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000000791734 557198928 /nfs/dbraw/zinc/19/89/28/557198928.db2.gz KPOSPAWREPGRDJ-QHCPKHFHSA-N 0 0 448.588 4.302 50 0 IIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000025188368 557199483 /nfs/dbraw/zinc/19/94/83/557199483.db2.gz GYYNBRRDLILFTJ-UHFFFAOYSA-N 0 0 439.449 4.252 50 0 IIAARN CCCCn1c(=O)c(CCC(=O)OCc2cn3cc(Cl)ccc3n2)nc2ccccc21 ZINC000011589901 557205249 /nfs/dbraw/zinc/20/52/49/557205249.db2.gz OPHSZRJFSMAQOO-UHFFFAOYSA-N 0 0 438.915 4.174 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 ZINC000025388902 557206993 /nfs/dbraw/zinc/20/69/93/557206993.db2.gz PHRNKJHVKTWMKZ-GOSISDBHSA-N 0 0 437.565 4.485 50 0 IIAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000011612134 557208749 /nfs/dbraw/zinc/20/87/49/557208749.db2.gz TZMBMMJEFDYDHV-UHFFFAOYSA-N 0 0 436.274 4.432 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000025446720 557210137 /nfs/dbraw/zinc/21/01/37/557210137.db2.gz AOZYIKJAYLGHQC-CQSZACIVSA-N 0 0 428.476 4.227 50 0 IIAARN COc1ccc(Cl)cc1CN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000025456038 557210645 /nfs/dbraw/zinc/21/06/45/557210645.db2.gz OJPFFEZREMKUCF-UHFFFAOYSA-N 0 0 445.972 4.427 50 0 IIAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)ccc1Br ZINC000097124616 557212376 /nfs/dbraw/zinc/21/23/76/557212376.db2.gz TWNYIYCQMBWDFS-LJQANCHMSA-N 0 0 428.330 4.412 50 0 IIAARN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101025250 557214437 /nfs/dbraw/zinc/21/44/37/557214437.db2.gz HZCHVXGZXPEOCQ-QYZOEREBSA-N 0 0 429.314 4.318 50 0 IIAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccco2)o1 ZINC000011627075 557215067 /nfs/dbraw/zinc/21/50/67/557215067.db2.gz MDKXMZNOBNTFEW-ZDUSSCGKSA-N 0 0 445.476 4.139 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(CCC3CCCC3)[nH]2)c1 ZINC000025608776 557218971 /nfs/dbraw/zinc/21/89/71/557218971.db2.gz MSMLWUOCCPIIPX-IBGZPJMESA-N 0 0 444.601 4.401 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1C ZINC000011645181 557219243 /nfs/dbraw/zinc/21/92/43/557219243.db2.gz UWFQGOAPXQILHZ-INIZCTEOSA-N 0 0 438.480 4.129 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000101063838 557219370 /nfs/dbraw/zinc/21/93/70/557219370.db2.gz QCAPIHXQUSPMAK-VXNXHJTFSA-N 0 0 444.487 4.063 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000032949226 557220748 /nfs/dbraw/zinc/22/07/48/557220748.db2.gz MPVTUHAWOUZXGP-NRFANRHFSA-N 0 0 432.520 4.074 50 0 IIAARN CCOc1ccc(C(=O)N[C@@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032949291 557221977 /nfs/dbraw/zinc/22/19/77/557221977.db2.gz RSICAPNDDAWAMB-NRFANRHFSA-N 0 0 433.504 4.406 50 0 biogenic IIAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000025722882 557223619 /nfs/dbraw/zinc/22/36/19/557223619.db2.gz OBNMLHHPULIKBG-UHFFFAOYSA-N 0 0 448.976 4.257 50 0 IIAARN COc1cc(C2SCCS2)ccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000025730067 557223897 /nfs/dbraw/zinc/22/38/97/557223897.db2.gz KRBHOFHMJXXGAS-AWEZNQCLSA-N 0 0 433.526 4.271 50 0 IIAARN Cc1c(C(=O)OCCN2C(=O)c3ccccc3C2=O)sc2nc(C(C)(C)C)nc(C)c12 ZINC000025802771 557227171 /nfs/dbraw/zinc/22/71/71/557227171.db2.gz WCQCQUJWPCVJCL-UHFFFAOYSA-N 0 0 437.521 4.059 50 0 IIAARN CCCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1 ZINC000032949692 557228740 /nfs/dbraw/zinc/22/87/40/557228740.db2.gz HCLUCACSXBHYLC-UHFFFAOYSA-N 0 0 448.592 4.148 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000011659027 557229321 /nfs/dbraw/zinc/22/93/21/557229321.db2.gz MLAJDUBQIOXPFS-UHFFFAOYSA-N 0 0 427.482 4.047 50 0 IIAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 ZINC000024924427 557230278 /nfs/dbraw/zinc/23/02/78/557230278.db2.gz ZUWZGLSTBNNLOC-IBGZPJMESA-N 0 0 444.004 4.379 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018033983 557230620 /nfs/dbraw/zinc/23/06/20/557230620.db2.gz OYAYTABGNJMOJJ-HSALFYBXSA-N 0 0 439.393 4.152 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC ZINC000025957485 557231014 /nfs/dbraw/zinc/23/10/14/557231014.db2.gz CYKIQSFHSXVHPF-FXAWDEMLSA-N 0 0 440.565 4.142 50 0 IIAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(-c4ccccc4)cs3)ccc21 ZINC000026040192 557232486 /nfs/dbraw/zinc/23/24/86/557232486.db2.gz ATZRWWDIZMUYAZ-UHFFFAOYSA-N 0 0 444.603 4.497 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950152 557233686 /nfs/dbraw/zinc/23/36/86/557233686.db2.gz YBADKINSKREJDB-UHFFFAOYSA-N 0 0 435.528 4.285 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000098211406 557234891 /nfs/dbraw/zinc/23/48/91/557234891.db2.gz GTHCCCAPULVAOQ-UHFFFAOYSA-N 0 0 434.427 4.160 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1F ZINC000098211421 557234915 /nfs/dbraw/zinc/23/49/15/557234915.db2.gz XVXWZJLUWFFLSA-QGZVFWFLSA-N 0 0 448.498 4.490 50 0 IIAARN CN(Cc1ccc(Br)s1)C(=O)c1ccccc1I ZINC000018107760 557237279 /nfs/dbraw/zinc/23/72/79/557237279.db2.gz RGHMYYUBUGZAJO-UHFFFAOYSA-N 0 0 436.112 4.387 50 0 IIAARN CS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000026220740 557237438 /nfs/dbraw/zinc/23/74/38/557237438.db2.gz FDCLRAYZCXLBAA-UHFFFAOYSA-N 0 0 434.311 4.023 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000011004940 557239347 /nfs/dbraw/zinc/23/93/47/557239347.db2.gz WKOQZDDYUGCUDE-UHFFFAOYSA-N 0 0 447.896 4.321 50 0 IIAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333684 557239354 /nfs/dbraw/zinc/23/93/54/557239354.db2.gz JPRXCAPCSAKFIE-ZDUSSCGKSA-N 0 0 431.323 4.439 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(CS(C)(=O)=O)cc2)s1 ZINC000026394754 557240363 /nfs/dbraw/zinc/24/03/63/557240363.db2.gz JJLYDHYLRFLOFK-UHFFFAOYSA-N 0 0 427.591 4.486 50 0 IIAARN COc1ccc(-c2nc(S[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)n[nH]2)cc1 ZINC000100116436 557240988 /nfs/dbraw/zinc/24/09/88/557240988.db2.gz WJFQYHHCGVUYHV-IBGZPJMESA-N 0 0 430.489 4.058 50 0 IIAARN COc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000026520898 557242970 /nfs/dbraw/zinc/24/29/70/557242970.db2.gz LGMYJERGVKXRNY-IBGZPJMESA-N 0 0 444.597 4.492 50 0 IIAARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000018158748 557243811 /nfs/dbraw/zinc/24/38/11/557243811.db2.gz MVPHSFJCNQYQEH-KEZOAJOQSA-N 0 0 438.458 4.224 50 0 IIAARN COc1ccc2cc(/C=C3/N=C(c4ccccc4Cl)OC3=O)c(N3CCOCC3)nc2c1 ZINC000018164973 557244848 /nfs/dbraw/zinc/24/48/48/557244848.db2.gz DAVUIYPXCIBWQP-FYJGNVAPSA-N 0 0 449.894 4.078 50 0 IIAARN CSCC[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc2ccccc2[nH]1 ZINC000026754610 557247521 /nfs/dbraw/zinc/24/75/21/557247521.db2.gz AKUVUZPPHSFWNU-GOSISDBHSA-N 0 0 442.610 4.087 50 0 IIAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000026962801 557252515 /nfs/dbraw/zinc/25/25/15/557252515.db2.gz CRNCWWNPXBXTOW-QFIPXVFZSA-N 0 0 432.549 4.122 50 0 IIAARN O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(F)cc2Br)C2CC2)cc1 ZINC000026989254 557253596 /nfs/dbraw/zinc/25/35/96/557253596.db2.gz SRIUMMHTRJXWML-UHFFFAOYSA-N 0 0 431.305 4.285 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831182 557254116 /nfs/dbraw/zinc/25/41/16/557254116.db2.gz QHWHUDPRRXEWPP-LJQANCHMSA-N 0 0 439.936 4.025 50 0 IIAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 ZINC000027018282 557254577 /nfs/dbraw/zinc/25/45/77/557254577.db2.gz CIPOXZJYVACLJV-KRWDZBQOSA-N 0 0 425.897 4.398 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c2ccccc2nc(=O)n1Cc1cccnc1 ZINC000101113947 557256113 /nfs/dbraw/zinc/25/61/13/557256113.db2.gz NIMACSTYQWJSSL-ZXVVBBHZSA-N 0 0 440.290 4.213 50 0 IIAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000027157530 557258270 /nfs/dbraw/zinc/25/82/70/557258270.db2.gz VRPIGJPPTLSCFK-UHFFFAOYSA-N 0 0 449.454 4.329 50 0 IIAARN Cc1nc2cc(NC(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)ccc2s1 ZINC000390831519 557258505 /nfs/dbraw/zinc/25/85/05/557258505.db2.gz SIAWWDRXPXLIIT-UHFFFAOYSA-N 0 0 429.567 4.216 50 0 IIAARN COc1cc(CN(C)[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)ccc1OC(F)F ZINC000027350863 557260696 /nfs/dbraw/zinc/26/06/96/557260696.db2.gz UXBTZSZUAWFCSW-ZDUSSCGKSA-N 0 0 430.459 4.000 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1 ZINC000032953868 557260837 /nfs/dbraw/zinc/26/08/37/557260837.db2.gz OPOMQYZTMWCQTA-UHFFFAOYSA-N 0 0 434.496 4.201 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000027570181 557265809 /nfs/dbraw/zinc/26/58/09/557265809.db2.gz XKUBQUAMGCPKQR-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1cccc(Br)c1 ZINC000013018658 557266046 /nfs/dbraw/zinc/26/60/46/557266046.db2.gz NHNVJDOCYMHKCZ-ZHACJKMWSA-N 0 0 445.357 4.193 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 ZINC000027668223 557270983 /nfs/dbraw/zinc/27/09/83/557270983.db2.gz NDMUQUDWGOXJPL-HXUWFJFHSA-N 0 0 440.927 4.412 50 0 IIAARN COc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1 ZINC000027749179 557273100 /nfs/dbraw/zinc/27/31/00/557273100.db2.gz WHQDCWQZXJUEAX-XMMPIXPASA-N 0 0 435.524 4.460 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccncc2)c(C)c1 ZINC000027753350 557273452 /nfs/dbraw/zinc/27/34/52/557273452.db2.gz MBZACIMOWFRHGN-UHFFFAOYSA-N 0 0 443.576 4.397 50 0 IIAARN Cc1ccc(C)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC4CC4)N32)c1 ZINC000101403589 557280732 /nfs/dbraw/zinc/28/07/32/557280732.db2.gz JPVIIHOHXJMBIX-QFIPXVFZSA-N 0 0 439.581 4.499 50 0 IIAARN CC(=O)n1nc(C(F)(F)F)c2c1N[C@H]1C=CC(Br)=CC1=C2c1ccccc1 ZINC000101051922 557281860 /nfs/dbraw/zinc/28/18/60/557281860.db2.gz FFIVKDSGSKAAGS-GOEBONIOSA-N 0 0 436.231 4.466 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000101390582 557282896 /nfs/dbraw/zinc/28/28/96/557282896.db2.gz UOKXSTGEQAPTSE-OAQYLSRUSA-N 0 0 425.554 4.227 50 0 IIAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccc(Cl)nc1 ZINC000011665524 557284184 /nfs/dbraw/zinc/28/41/84/557284184.db2.gz DEABYGRVUWDDTP-UHFFFAOYSA-N 0 0 427.855 4.154 50 0 IIAARN CCCCS[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](SCCCC)C3=O)cc2)C1=O ZINC000101345641 557291609 /nfs/dbraw/zinc/29/16/09/557291609.db2.gz YDXRWCDASZUDBV-ROUUACIJSA-N 0 0 448.610 4.017 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)cc1C ZINC000101889586 557296482 /nfs/dbraw/zinc/29/64/82/557296482.db2.gz PGINAICVSKRJIB-FQQGMQMYSA-N 0 0 431.488 4.045 50 0 IIAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccs3)C2)cc(OC)c1OC ZINC000101755826 557297230 /nfs/dbraw/zinc/29/72/30/557297230.db2.gz UCYKTQSEKVZDGN-ODXCJYRJSA-N 0 0 438.509 4.431 50 0 IIAARN CCOC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101792730 557298396 /nfs/dbraw/zinc/29/83/96/557298396.db2.gz GNGRZCKMXCPHAE-XDHOZWIPSA-N 0 0 427.478 4.117 50 0 IIAARN CSc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccccc5)nc-4c3c2)cc1 ZINC000101828368 557300153 /nfs/dbraw/zinc/30/01/53/557300153.db2.gz COAMNKNKAXBVSG-UHFFFAOYSA-N 0 0 440.528 4.471 50 0 IIAARN C[C@@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccccc1 ZINC000101828681 557300175 /nfs/dbraw/zinc/30/01/75/557300175.db2.gz TYDIGLRARCEAAP-OAHLLOKOSA-N 0 0 426.451 4.449 50 0 IIAARN Cc1nc(Cl)cc(NNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 ZINC000078993924 557300889 /nfs/dbraw/zinc/30/08/89/557300889.db2.gz RPSBXEZMNLKQGW-UHFFFAOYSA-N 0 0 427.921 4.249 50 0 IIAARN Cc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000101877976 557304380 /nfs/dbraw/zinc/30/43/80/557304380.db2.gz YDGCBCCIZIXIQC-UHFFFAOYSA-N 0 0 429.524 4.313 50 0 IIAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000101880645 557304897 /nfs/dbraw/zinc/30/48/97/557304897.db2.gz QELVMXSGGHSJHS-UHFFFAOYSA-N 0 0 446.938 4.471 50 0 IIAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)C2)cc1 ZINC000101880682 557304957 /nfs/dbraw/zinc/30/49/57/557304957.db2.gz HYCWZMUXRBELGM-UHFFFAOYSA-N 0 0 440.503 4.343 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc4c(c3)CCC4)C(=O)C2)c1 ZINC000101881666 557305321 /nfs/dbraw/zinc/30/53/21/557305321.db2.gz BFOQQRSISHWSNL-UHFFFAOYSA-N 0 0 440.503 4.075 50 0 IIAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000101997242 557311352 /nfs/dbraw/zinc/31/13/52/557311352.db2.gz VOOMCSJTSLNGRL-HSALFYBXSA-N 0 0 440.908 4.461 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)COc2ccc3ccc(=O)oc3c2)cc1 ZINC000032505056 557313444 /nfs/dbraw/zinc/31/34/44/557313444.db2.gz KRVFTWQPPKPPAD-UHFFFAOYSA-N 0 0 428.488 4.358 50 0 IIAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000014182976 557314229 /nfs/dbraw/zinc/31/42/29/557314229.db2.gz GYDOUSLYCRKTBK-OALUTQOASA-N 0 0 433.533 4.467 50 0 IIAARN COc1cc(/C=C/C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000032768817 557315536 /nfs/dbraw/zinc/31/55/36/557315536.db2.gz ZYNSDOCUPFCKKX-VOTSOKGWSA-N 0 0 434.458 4.080 50 0 IIAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000032778316 557315911 /nfs/dbraw/zinc/31/59/11/557315911.db2.gz BXESZJRCEPPKCG-MRXNPFEDSA-N 0 0 441.329 4.032 50 0 IIAARN C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000102272066 557317233 /nfs/dbraw/zinc/31/72/33/557317233.db2.gz JIKPEUOWUNNUBR-QRVBRYPASA-N 0 0 432.524 4.269 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3CC(c4ccc(F)cc4)=Nc4nnnn43)c2)cc1 ZINC000102276757 557317239 /nfs/dbraw/zinc/31/72/39/557317239.db2.gz OFRDNZDWRAEGPD-QFIPXVFZSA-N 0 0 426.455 4.429 50 0 IIAARN CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000014200395 557317362 /nfs/dbraw/zinc/31/73/62/557317362.db2.gz TUNWLQJOHOISNK-UHFFFAOYSA-N 0 0 431.536 4.453 50 0 IIAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000014201453 557317603 /nfs/dbraw/zinc/31/76/03/557317603.db2.gz NAILFCVKBMLOTI-NRFANRHFSA-N 0 0 446.894 4.329 50 0 IIAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000014201452 557317669 /nfs/dbraw/zinc/31/76/69/557317669.db2.gz NAILFCVKBMLOTI-OAQYLSRUSA-N 0 0 446.894 4.329 50 0 IIAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)O3)c(OC)c1 ZINC000032984090 557320025 /nfs/dbraw/zinc/32/00/25/557320025.db2.gz GUZYIEQGTAXOII-FMCGGJTJSA-N 0 0 430.460 4.006 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)Nc1ccc(F)cc1 ZINC000011667541 557321615 /nfs/dbraw/zinc/32/16/15/557321615.db2.gz GOSJGPQHHVUUKF-UHFFFAOYSA-N 0 0 440.884 4.453 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000033053175 557323065 /nfs/dbraw/zinc/32/30/65/557323065.db2.gz VYXUDWYLNHLXOP-UHFFFAOYSA-N 0 0 441.597 4.412 50 0 IIAARN COc1ccc(NC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c(OC)c1 ZINC000033061430 557323117 /nfs/dbraw/zinc/32/31/17/557323117.db2.gz DTZRBRSHITXPIM-UHFFFAOYSA-N 0 0 446.916 4.032 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102471277 557324218 /nfs/dbraw/zinc/32/42/18/557324218.db2.gz KWVQAKUXHIUMNS-DRCYAFTPSA-N 0 0 447.624 4.451 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)nc2cccnc21 ZINC000033170439 557326620 /nfs/dbraw/zinc/32/66/20/557326620.db2.gz AYUYBGMSDMLYEC-UHFFFAOYSA-N 0 0 432.911 4.452 50 0 IIAARN O=C(Nc1cccc2nsnc21)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000033170530 557326696 /nfs/dbraw/zinc/32/66/96/557326696.db2.gz BXERWMBNIVRSOZ-UHFFFAOYSA-N 0 0 444.925 4.398 50 0 IIAARN C[S@@](=O)c1c(Cl)cccc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000072309775 557330627 /nfs/dbraw/zinc/33/06/27/557330627.db2.gz FWDWJJGMAVLGMV-MHZLTWQESA-N 0 0 447.775 4.133 50 0 IIAARN O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000033282264 557331780 /nfs/dbraw/zinc/33/17/80/557331780.db2.gz FSWYZXWEAINSJN-HXUWFJFHSA-N 0 0 441.503 4.052 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311156 557332655 /nfs/dbraw/zinc/33/26/55/557332655.db2.gz OYJRGADOLUSMEJ-HXUWFJFHSA-N 0 0 438.543 4.312 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000033332069 557333594 /nfs/dbraw/zinc/33/35/94/557333594.db2.gz ZKTZKOGIDPNFIH-SANMLTNESA-N 0 0 445.519 4.238 50 0 IIAARN CCOC(=O)[C@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C1 ZINC000014358394 557335947 /nfs/dbraw/zinc/33/59/47/557335947.db2.gz CHQXCKJIIXZIIE-SFHVURJKSA-N 0 0 440.544 4.442 50 0 IIAARN Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2cccc(O)c2)C(Cl)(Cl)Cl)c1 ZINC000000836735 557336227 /nfs/dbraw/zinc/33/62/27/557336227.db2.gz LYILVOVFYBDONL-HNNXBMFYSA-N 0 0 432.760 4.113 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CCCC[C@H]4C)cc3)c(C)c2Br)o1 ZINC000023336737 557349096 /nfs/dbraw/zinc/34/90/96/557349096.db2.gz AWBODMOLUBMNRG-GFCCVEGCSA-N 0 0 444.333 4.316 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000023386226 557352491 /nfs/dbraw/zinc/35/24/91/557352491.db2.gz BBPSBAUBJUWZFZ-QGZVFWFLSA-N 0 0 437.323 4.104 50 0 IIAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N(C)CCc1ccccn1 ZINC000023424249 557353108 /nfs/dbraw/zinc/35/31/08/557353108.db2.gz OFPBIJKDXPDARN-UHFFFAOYSA-N 0 0 430.430 4.413 50 0 IIAARN O=C(c1cc(F)cc(F)c1)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000023427024 557353722 /nfs/dbraw/zinc/35/37/22/557353722.db2.gz YXTWFQVTYCXTMG-UHFFFAOYSA-N 0 0 448.395 4.403 50 0 IIAARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ncnn32)cc1 ZINC000102594267 557357265 /nfs/dbraw/zinc/35/72/65/557357265.db2.gz OCLKUOMLXYLSML-VGOFRKELSA-N 0 0 430.464 4.139 50 0 IIAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000023460572 557360713 /nfs/dbraw/zinc/36/07/13/557360713.db2.gz YAFHJRHEHYHIBU-UHFFFAOYSA-N 0 0 449.532 4.467 50 0 IIAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N(C)CCc4ccccn4)c3)n2)o1 ZINC000023457918 557363266 /nfs/dbraw/zinc/36/32/66/557363266.db2.gz KFOGQDLHLWARGT-UHFFFAOYSA-N 0 0 444.539 4.139 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675233 557364157 /nfs/dbraw/zinc/36/41/57/557364157.db2.gz AEWOZTRULVAQMS-OAHLLOKOSA-N 0 0 449.461 4.500 50 0 IIAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n1 ZINC000220830829 557368092 /nfs/dbraw/zinc/36/80/92/557368092.db2.gz YIHGWYPDNOGBTG-AWEZNQCLSA-N 0 0 437.974 4.403 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nnn(-c3ccc(C)cc3)c1C)C[C@@H](C)CC2 ZINC000011690079 557368488 /nfs/dbraw/zinc/36/84/88/557368488.db2.gz CFVPROJPZQOZSE-AWEZNQCLSA-N 0 0 438.553 4.499 50 0 IIAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000023701460 557371796 /nfs/dbraw/zinc/37/17/96/557371796.db2.gz PHVKYUISTBMWAE-UHFFFAOYSA-N 0 0 429.486 4.143 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)NC(C)C)=CSC2=N1 ZINC000102744226 557377108 /nfs/dbraw/zinc/37/71/08/557377108.db2.gz WLXGHQCINSZVOC-FQEVSTJZSA-N 0 0 431.533 4.267 50 0 IIAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102763352 557380905 /nfs/dbraw/zinc/38/09/05/557380905.db2.gz ZWASGVCXVNBOPB-WXFUMESZSA-N 0 0 428.488 4.132 50 0 IIAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000023997124 557390572 /nfs/dbraw/zinc/39/05/72/557390572.db2.gz QWODDMYPYLQJLI-UHFFFAOYSA-N 0 0 430.338 4.106 50 0 IIAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000024107209 557395963 /nfs/dbraw/zinc/39/59/63/557395963.db2.gz OIPZGCDYYWHEQL-JTQLQIEISA-N 0 0 441.698 4.410 50 0 IIAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1 ZINC000033422004 557396329 /nfs/dbraw/zinc/39/63/29/557396329.db2.gz ATHWMWOMIHHACN-UHFFFAOYSA-N 0 0 434.536 4.412 50 0 IIAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000013956423 557398180 /nfs/dbraw/zinc/39/81/80/557398180.db2.gz QRXMHVVKDCLASD-KRWDZBQOSA-N 0 0 443.617 4.026 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccc(F)c1 ZINC000013956260 557398218 /nfs/dbraw/zinc/39/82/18/557398218.db2.gz OXBYPLDHNAPSTR-UHFFFAOYSA-N 0 0 439.285 4.254 50 0 IIAARN COc1cc(OC)c(C(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1OC ZINC000004870277 557399253 /nfs/dbraw/zinc/39/92/53/557399253.db2.gz CWNGZVFGKXIULM-UHFFFAOYSA-N 0 0 427.497 4.235 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(OC)cc3)CC2)cc1 ZINC000033474309 557400835 /nfs/dbraw/zinc/40/08/35/557400835.db2.gz KAUNWWUBIDJJPK-UHFFFAOYSA-N 0 0 444.579 4.218 50 0 IIAARN COCCCNC(=O)CSc1[nH]c(-c2ccc(C)cc2)nc1-c1ccc(OC)cc1 ZINC000004927892 557409085 /nfs/dbraw/zinc/40/90/85/557409085.db2.gz DMKRWYHOJXGZLE-UHFFFAOYSA-N 0 0 425.554 4.306 50 0 IIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103054153 557416910 /nfs/dbraw/zinc/41/69/10/557416910.db2.gz YWILVTCKGQDLDA-IYBDPMFKSA-N 0 0 439.478 4.055 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)[C@H]1C ZINC000103673526 557439996 /nfs/dbraw/zinc/43/99/96/557439996.db2.gz YEWPTLJSRJYUOP-MSYCTHLASA-N 0 0 442.563 4.340 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1)c1nnc2ccccn21 ZINC000223240189 557450216 /nfs/dbraw/zinc/45/02/16/557450216.db2.gz ZEVJCZMGXQOULF-LJQANCHMSA-N 0 0 447.568 4.104 50 0 IIAARN Cc1nc(CC(C)C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F ZINC000096316787 557451602 /nfs/dbraw/zinc/45/16/02/557451602.db2.gz GERZQFISYVZAFU-UHFFFAOYSA-N 0 0 441.595 4.344 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000097938663 557453466 /nfs/dbraw/zinc/45/34/66/557453466.db2.gz YVBZAALZGNMIHS-IBGZPJMESA-N 0 0 434.446 4.472 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014790081 557455754 /nfs/dbraw/zinc/45/57/54/557455754.db2.gz XCRBESVJNFFGML-UHFFFAOYSA-N 0 0 446.878 4.073 50 0 IIAARN CCOC(=O)C1=C(CN(C)[C@H](C)c2cc3ccccc3o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000104730466 557459248 /nfs/dbraw/zinc/45/92/48/557459248.db2.gz DGWDNHUACNLQBT-QRQCRPRQSA-N 0 0 437.496 4.198 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)c1 ZINC000051316115 557463753 /nfs/dbraw/zinc/46/37/53/557463753.db2.gz LPXANMCJESIBOH-UHFFFAOYSA-N 0 0 441.531 4.333 50 0 IIAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920714 557465787 /nfs/dbraw/zinc/46/57/87/557465787.db2.gz FNNVUONEJXKGGR-PGRDOPGGSA-N 0 0 447.476 4.238 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011338 557472802 /nfs/dbraw/zinc/47/28/02/557472802.db2.gz QGSWPEOPTDVNBV-UKILVPOCSA-N 0 0 447.579 4.256 50 0 IIAARN CSc1nn(CC(=O)Nc2cccc(Cl)c2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914007 557513480 /nfs/dbraw/zinc/51/34/80/557513480.db2.gz ZWQURPIHMPSUBN-UHFFFAOYSA-N 0 0 440.916 4.196 50 0 IIAARN CCc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccccc3)no2)c1N ZINC000046914087 557513547 /nfs/dbraw/zinc/51/35/47/557513547.db2.gz RVJTYIYTBDQQEP-UHFFFAOYSA-N 0 0 434.525 4.105 50 0 IIAARN CSc1nn(CC(=O)Nc2cc(C)cc(C)c2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914062 557513570 /nfs/dbraw/zinc/51/35/70/557513570.db2.gz AIUBUIVJJATHMD-UHFFFAOYSA-N 0 0 434.525 4.160 50 0 IIAARN CSc1nn(CC(=O)Nc2ccccc2C)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914684 557513784 /nfs/dbraw/zinc/51/37/84/557513784.db2.gz VYDOKPGLZNWTLP-UHFFFAOYSA-N 0 0 434.525 4.160 50 0 IIAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000047146374 557517040 /nfs/dbraw/zinc/51/70/40/557517040.db2.gz KQJSGWNLZBBIFC-UHFFFAOYSA-N 0 0 447.347 4.265 50 0 IIAARN CCc1ccc(Cn2c(CNS(=O)(=O)c3ccc(C)cc3C)nc3cccnc32)cc1 ZINC000047146440 557517814 /nfs/dbraw/zinc/51/78/14/557517814.db2.gz BUCLXWBPGJHLEB-UHFFFAOYSA-N 0 0 434.565 4.137 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000012070092 557526151 /nfs/dbraw/zinc/52/61/51/557526151.db2.gz JXGCNGLWBQOSCU-UHFFFAOYSA-N 0 0 426.563 4.272 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)c(C)c1 ZINC000107176101 557535127 /nfs/dbraw/zinc/53/51/27/557535127.db2.gz KWKDINVTDZGBHV-OLKYXYMISA-N 0 0 438.483 4.295 50 0 IIAARN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2ccccc2Cl)CC1 ZINC000044838501 557538884 /nfs/dbraw/zinc/53/88/84/557538884.db2.gz AIKMBXDRWAJMAE-UHFFFAOYSA-N 0 0 445.748 4.455 50 0 IIAARN COc1cc(OC)c(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1Cl ZINC000044841540 557539567 /nfs/dbraw/zinc/53/95/67/557539567.db2.gz LZRBIQUOLPTRLU-UHFFFAOYSA-N 0 0 432.904 4.019 50 0 IIAARN CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000044921181 557540812 /nfs/dbraw/zinc/54/08/12/557540812.db2.gz LUYPELYPHBXGQI-UHFFFAOYSA-N 0 0 432.549 4.458 50 0 IIAARN COc1ccccc1C1=C2C(=N)N(CC[NH+](C)C)C=N[C@H]2Oc2c3ccccc3ccc21 ZINC000044928672 557541034 /nfs/dbraw/zinc/54/10/34/557541034.db2.gz IWIYELOFINTKPO-SANMLTNESA-N 0 0 426.520 4.252 50 0 IIAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000045873883 557545891 /nfs/dbraw/zinc/54/58/91/557545891.db2.gz UZGWMBBARZHYKE-NFBKMPQASA-N 0 0 427.504 4.314 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)c1 ZINC000045922746 557547824 /nfs/dbraw/zinc/54/78/24/557547824.db2.gz PPUCHJXUXFOJMZ-UHFFFAOYSA-N 0 0 434.565 4.169 50 0 IIAARN CC(C)Sc1cc2c(cc1NC(=O)c1ccccc1Br)n(C)c(=O)n2C ZINC000045940775 557549342 /nfs/dbraw/zinc/54/93/42/557549342.db2.gz XGXXIYIWOLJKET-UHFFFAOYSA-N 0 0 434.359 4.392 50 0 IIAARN COc1cc(OC)c(NC(=O)Cn2c(C)nc3c4ccccc4sc3c2=O)cc1Cl ZINC000045942980 557552211 /nfs/dbraw/zinc/55/22/11/557552211.db2.gz DKCJPRBSUYZVHT-UHFFFAOYSA-N 0 0 443.912 4.229 50 0 IIAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(Cl)c1 ZINC000045960611 557554623 /nfs/dbraw/zinc/55/46/23/557554623.db2.gz NLYVNGIMBMQXPG-UHFFFAOYSA-N 0 0 443.956 4.044 50 0 IIAARN COC(=O)C[C@](C)(NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccn1 ZINC000225423356 557721756 /nfs/dbraw/zinc/72/17/56/557721756.db2.gz JABVBOCFFJWFKW-SFHVURJKSA-N 0 0 430.719 4.048 50 0 IIAARN CCOc1ccc(C(=O)CCC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1 ZINC000225446221 557723780 /nfs/dbraw/zinc/72/37/80/557723780.db2.gz ONMPCHDUWBZHSP-UKILVPOCSA-N 0 0 427.516 4.077 50 0 IIAARN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3ncnn3-c3ccccc3)c12 ZINC000225608817 557751071 /nfs/dbraw/zinc/75/10/71/557751071.db2.gz VLMGAGLOLOAULZ-UHFFFAOYSA-N 0 0 430.512 4.200 50 0 IIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C(C)C)c3)c2=O)cc1 ZINC000040478485 557753680 /nfs/dbraw/zinc/75/36/80/557753680.db2.gz WAEDSNTXVSWGBJ-UHFFFAOYSA-N 0 0 441.531 4.282 50 0 IIAARN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H](c2ccccc2)N(C)C)n1 ZINC000225631361 557754645 /nfs/dbraw/zinc/75/46/45/557754645.db2.gz SIYCBEFRTULGTL-WOJBJXKFSA-N 0 0 438.528 4.343 50 0 IIAARN Cc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)cn1 ZINC000225718684 557768138 /nfs/dbraw/zinc/76/81/38/557768138.db2.gz YXGWLDYHERTUQZ-HXUWFJFHSA-N 0 0 429.948 4.407 50 0 IIAARN Cc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)cn1 ZINC000225718709 557768188 /nfs/dbraw/zinc/76/81/88/557768188.db2.gz YXGWLDYHERTUQZ-FQEVSTJZSA-N 0 0 429.948 4.407 50 0 IIAARN CCCn1c(C)nnc1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl ZINC000225732508 557770376 /nfs/dbraw/zinc/77/03/76/557770376.db2.gz OPXDYXJZQROPKZ-IBGZPJMESA-N 0 0 433.984 4.444 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000225736993 557770755 /nfs/dbraw/zinc/77/07/55/557770755.db2.gz BDCPQHGXONILQX-SFHVURJKSA-N 0 0 434.540 4.089 50 0 IIAARN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(OC(C)=O)c2)C3=O)cc1 ZINC000000850655 557830830 /nfs/dbraw/zinc/83/08/30/557830830.db2.gz PWAUELRNADAPMI-UHFFFAOYSA-N 0 0 430.416 4.163 50 0 IIAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1F)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000238950233 557842173 /nfs/dbraw/zinc/84/21/73/557842173.db2.gz XGSIEJKLFVQFRL-KRWDZBQOSA-N 0 0 435.323 4.387 50 0 IIAARN O=C(N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003130609 557842257 /nfs/dbraw/zinc/84/22/57/557842257.db2.gz XYDOBODYRMXZKS-AWEZNQCLSA-N 0 0 448.759 4.301 50 0 IIAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2OC)cc1 ZINC000018708019 557854680 /nfs/dbraw/zinc/85/46/80/557854680.db2.gz XDHULJXUELRNHS-UHFFFAOYSA-N 0 0 426.494 4.130 50 0 IIAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000000886729 557855749 /nfs/dbraw/zinc/85/57/49/557855749.db2.gz OLXLYGQPHOKYKQ-UHFFFAOYSA-N 0 0 440.952 4.120 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2cc(Cl)ccc2C)cc1 ZINC000000886602 557855759 /nfs/dbraw/zinc/85/57/59/557855759.db2.gz GJIURZJMUFRFNY-UHFFFAOYSA-N 0 0 432.929 4.062 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1OC ZINC000000890187 557859165 /nfs/dbraw/zinc/85/91/65/557859165.db2.gz MHGUEHUVWXULTG-UHFFFAOYSA-N 0 0 434.521 4.383 50 0 IIAARN CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000018831490 557862191 /nfs/dbraw/zinc/86/21/91/557862191.db2.gz YGZJLFIDFAVQIG-INIZCTEOSA-N 0 0 436.986 4.168 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000001147374 562920683 /nfs/dbraw/zinc/92/06/83/562920683.db2.gz ANELNYLPZRTDSG-UHFFFAOYSA-N 0 0 442.793 4.042 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnn3-c3ccc(C(F)(F)F)cc3)C(=O)N1CC2 ZINC000001393628 562921666 /nfs/dbraw/zinc/92/16/66/562921666.db2.gz RLRCQBCOGRYWKP-GOSISDBHSA-N 0 0 443.425 4.204 50 0 IIAARN O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)Nc1ccc(Cl)cc1F ZINC000001428180 562921891 /nfs/dbraw/zinc/92/18/91/562921891.db2.gz UMGSTDLFURZSIZ-UHFFFAOYSA-N 0 0 446.866 4.027 50 0 IIAARN COc1ccc(-c2csc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1OC ZINC000002202392 562926269 /nfs/dbraw/zinc/92/62/69/562926269.db2.gz PLJVQWKFBFPDFI-IBGZPJMESA-N 0 0 428.466 4.126 50 0 IIAARN COc1ccccc1[C@@]1(CCNS(=O)(=O)c2ccc(C)cc2)CCO[C@@H](C(C)C)C1 ZINC000002218055 562926419 /nfs/dbraw/zinc/92/64/19/562926419.db2.gz PUJGHBPPOHGHEG-RPWUZVMVSA-N 0 0 431.598 4.445 50 0 IIAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000002415040 562927462 /nfs/dbraw/zinc/92/74/62/562927462.db2.gz SFXVZNHMVKVIOO-UHFFFAOYSA-N 0 0 428.945 4.074 50 0 aggregator IIAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000002724820 562930115 /nfs/dbraw/zinc/93/01/15/562930115.db2.gz SQZUYHLJYJVUDK-QHCPKHFHSA-N 0 0 438.430 4.166 50 0 IIAARN CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000002926295 562930611 /nfs/dbraw/zinc/93/06/11/562930611.db2.gz MZNRQKQNKSPZGC-UHFFFAOYSA-N 0 0 429.476 4.391 50 0 IIAARN COC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000003192493 562932636 /nfs/dbraw/zinc/93/26/36/562932636.db2.gz QVDPDANEYOQMGY-QGZVFWFLSA-N 0 0 429.498 4.009 50 0 aggregator IIAARN Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1 ZINC000003200033 562932680 /nfs/dbraw/zinc/93/26/80/562932680.db2.gz VSYVSBBWNRWAPV-UHFFFAOYSA-N 0 0 429.505 4.078 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2nncn2C)cc1 ZINC000003227097 562933032 /nfs/dbraw/zinc/93/30/32/562933032.db2.gz MBZWEGWHXAJYAS-RTWAWAEBSA-N 0 0 436.562 4.143 50 0 IIAARN C[C@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1 ZINC000003279981 562933657 /nfs/dbraw/zinc/93/36/57/562933657.db2.gz PLWMHUOIYTVFHJ-GOSISDBHSA-N 0 0 439.537 4.257 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCc1cccs1 ZINC000003365272 562934882 /nfs/dbraw/zinc/93/48/82/562934882.db2.gz FHBRJJQTFSTYDE-UHFFFAOYSA-N 0 0 439.537 4.054 50 0 aggregator IIAARN CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000003363838 562934931 /nfs/dbraw/zinc/93/49/31/562934931.db2.gz RDBIWBYMQZAQFO-QFIPXVFZSA-N 0 0 448.350 4.247 50 0 IIAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935021 562948615 /nfs/dbraw/zinc/94/86/15/562948615.db2.gz FJPYKRFSHVLLLA-SFHVURJKSA-N 0 0 426.582 4.364 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)[C@@H]1C ZINC000007003232 562948634 /nfs/dbraw/zinc/94/86/34/562948634.db2.gz PFXXXLGHFMNKIX-HMFYCAOWSA-N 0 0 428.573 4.189 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(C(C)C)c1=O ZINC000008589039 562950985 /nfs/dbraw/zinc/95/09/85/562950985.db2.gz ZKMAQVSIJFBQFW-UHFFFAOYSA-N 0 0 425.872 4.091 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccccc1 ZINC000008590794 562951911 /nfs/dbraw/zinc/95/19/11/562951911.db2.gz HBLFWJHMJBOAAC-UHFFFAOYSA-N 0 0 436.508 4.071 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000008591569 562952098 /nfs/dbraw/zinc/95/20/98/562952098.db2.gz JNLRUAGUKOVQHA-UHFFFAOYSA-N 0 0 439.288 4.495 50 0 IIAARN CCN(CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12)c1cccc(C)c1 ZINC000008598717 562954442 /nfs/dbraw/zinc/95/44/42/562954442.db2.gz SDVMFJFZZIPSIN-UHFFFAOYSA-N 0 0 437.609 4.455 50 0 IIAARN Cc1c2cc(OC(=O)N3CCOCC3)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000008601392 562955291 /nfs/dbraw/zinc/95/52/91/562955291.db2.gz GIXSVDNWEHYFDB-UHFFFAOYSA-N 0 0 444.281 4.362 50 0 IIAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1 ZINC000008602161 562955792 /nfs/dbraw/zinc/95/57/92/562955792.db2.gz FWSXMSPTWLQANX-UHFFFAOYSA-N 0 0 432.495 4.286 50 0 IIAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1 ZINC000008604087 562956297 /nfs/dbraw/zinc/95/62/97/562956297.db2.gz SODXBDGNCKEWMI-AWEZNQCLSA-N 0 0 432.929 4.096 50 0 IIAARN CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008606652 562957082 /nfs/dbraw/zinc/95/70/82/562957082.db2.gz URHWTNDSYYXVEK-DEOSSOPVSA-N 0 0 426.476 4.321 50 0 IIAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)N2C1=O ZINC000008609173 562957703 /nfs/dbraw/zinc/95/77/03/562957703.db2.gz FGADALWJPAIIPR-IBGZPJMESA-N 0 0 440.956 4.004 50 0 IIAARN CCc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000008611264 562958505 /nfs/dbraw/zinc/95/85/05/562958505.db2.gz JVTYGVWFSMBQRI-UHFFFAOYSA-N 0 0 432.499 4.203 50 0 IIAARN Cn1c(SCc2ccccc2Cl)nc(=O)c2c1NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000008614141 562959598 /nfs/dbraw/zinc/95/95/98/562959598.db2.gz NMJQBQKTHMMGHQ-AWEZNQCLSA-N 0 0 447.894 4.478 50 0 IIAARN CC(C)CCn1c2nnc(CCCC(=O)NC3CCC(C)CC3)n2c2ccsc2c1=O ZINC000008619021 562959775 /nfs/dbraw/zinc/95/97/75/562959775.db2.gz DOKSVUMXPJQMKV-UHFFFAOYSA-N 0 0 443.617 4.169 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1Cl ZINC000008654632 562960214 /nfs/dbraw/zinc/96/02/14/562960214.db2.gz SQZPNEFZIXQBIJ-OAHLLOKOSA-N 0 0 441.915 4.397 50 0 IIAARN Cc1c(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)c(=O)n(-c2ccccc2)n1C ZINC000008666785 562960601 /nfs/dbraw/zinc/96/06/01/562960601.db2.gz KNIWGWSUNFXXNZ-KRWDZBQOSA-N 0 0 432.549 4.460 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000008673984 562961373 /nfs/dbraw/zinc/96/13/73/562961373.db2.gz MWLVIVWZGYMFNU-UHFFFAOYSA-N 0 0 427.551 4.272 50 0 IIAARN COc1ccc(CN(C(=S)Nc2ccccc2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000008691649 562963542 /nfs/dbraw/zinc/96/35/42/562963542.db2.gz URGSAFREYZKEMF-JOCHJYFZSA-N 0 0 445.544 4.226 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)Nc2c(F)cccc2F)n1Cc1ccccc1)N(C)C ZINC000009375768 562969707 /nfs/dbraw/zinc/96/97/07/562969707.db2.gz IOEWFFONHMBPLT-GOSISDBHSA-N 0 0 445.539 4.348 50 0 IIAARN C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009466480 562971709 /nfs/dbraw/zinc/97/17/09/562971709.db2.gz XMDJMHRJPDNIMG-ZDUSSCGKSA-N 0 0 427.854 4.107 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(F)cc1 ZINC000009539919 562973137 /nfs/dbraw/zinc/97/31/37/562973137.db2.gz VYWVWBYNRSAPKE-QGZVFWFLSA-N 0 0 447.557 4.112 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000009670497 562975140 /nfs/dbraw/zinc/97/51/40/562975140.db2.gz WPWSOHXJCZRAPL-UHFFFAOYSA-N 0 0 426.694 4.155 50 0 IIAARN COCCN1Cc2cccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)c2C1=O ZINC000009679707 562975400 /nfs/dbraw/zinc/97/54/00/562975400.db2.gz FTQMDHBYOPEDLA-UHFFFAOYSA-N 0 0 426.476 4.084 50 0 IIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nncs2)cc1OC ZINC000009882749 562977717 /nfs/dbraw/zinc/97/77/17/562977717.db2.gz RGOHMJUVTHFCOU-CQSZACIVSA-N 0 0 446.579 4.087 50 0 IIAARN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000012573711 562982801 /nfs/dbraw/zinc/98/28/01/562982801.db2.gz KLYCVHKEWQKVBA-UHFFFAOYSA-N 0 0 432.923 4.423 50 0 IIAARN CCCCSCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S@]2=O ZINC000015944141 563020146 /nfs/dbraw/zinc/02/01/46/563020146.db2.gz QHNJLJXDCMIJNE-PMERELPUSA-N 0 0 444.622 4.487 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000015973791 563020592 /nfs/dbraw/zinc/02/05/92/563020592.db2.gz YSRMTDLWBVJXPN-UHFFFAOYSA-N 0 0 438.530 4.471 50 0 IIAARN CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032089610 563084109 /nfs/dbraw/zinc/08/41/09/563084109.db2.gz DQUNEBLYBSKGGA-NRFANRHFSA-N 0 0 427.291 4.492 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1 ZINC000039006816 563098684 /nfs/dbraw/zinc/09/86/84/563098684.db2.gz SKXUNYLMUZTGRV-UHFFFAOYSA-N 0 0 432.549 4.161 50 0 aggregator IIAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(I)cc3)nc(=O)c2c1C ZINC000018937124 568627414 /nfs/dbraw/zinc/62/74/14/568627414.db2.gz PHENWRIPKJLRTN-VIFPVBQESA-N 0 0 425.295 4.379 50 0 IIAARN COc1ccc(NC(=O)[C@H](Sc2n[nH]c(=O)n2C2CC2)c2ccccc2)cc1Cl ZINC000018973723 568631033 /nfs/dbraw/zinc/63/10/33/568631033.db2.gz OBSIQNHSARGQHT-QGZVFWFLSA-N 0 0 430.917 4.040 50 0 IIAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000018992358 568631198 /nfs/dbraw/zinc/63/11/98/568631198.db2.gz HKONUCHUSPMCRD-INIZCTEOSA-N 0 0 446.406 4.229 50 0 IIAARN CN(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000000940175 568641672 /nfs/dbraw/zinc/64/16/72/568641672.db2.gz XPCDHENWVPFBCF-UHFFFAOYSA-N 0 0 428.124 4.295 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1cc(Br)ccc1F ZINC000015096076 568644367 /nfs/dbraw/zinc/64/43/67/568644367.db2.gz JBFYAQHZXSFJQB-SEIPJRMCSA-N 0 0 429.293 4.402 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000000976121 568648029 /nfs/dbraw/zinc/64/80/29/568648029.db2.gz ZIWOTPIOFVLUQG-UHFFFAOYSA-N 0 0 429.505 4.263 50 0 IIAARN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl ZINC000000983579 568648721 /nfs/dbraw/zinc/64/87/21/568648721.db2.gz DWEUDNKMUBWSDA-UHFFFAOYSA-N 0 0 434.989 4.200 50 0 IIAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cnn(C)c3)cc2)c1C ZINC000025310977 568652789 /nfs/dbraw/zinc/65/27/89/568652789.db2.gz NXSHJBQLCJACNX-UHFFFAOYSA-N 0 0 440.569 4.388 50 0 IIAARN CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 ZINC000025323632 568653418 /nfs/dbraw/zinc/65/34/18/568653418.db2.gz HOHQVZXROAHIGF-UHFFFAOYSA-N 0 0 440.554 4.292 50 0 IIAARN CC(=O)Nc1ccc(Nc2nc3nonc3nc2Nc2ccc(Br)cc2)cc1 ZINC000001059142 568655405 /nfs/dbraw/zinc/65/54/05/568655405.db2.gz BMZCCCOIRPQVFS-UHFFFAOYSA-N 0 0 440.261 4.221 50 0 IIAARN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1C ZINC000001064660 568656104 /nfs/dbraw/zinc/65/61/04/568656104.db2.gz YTDHLHZUZZFUBU-UHFFFAOYSA-N 0 0 435.958 4.077 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)Cl)cc1 ZINC000001079661 568657057 /nfs/dbraw/zinc/65/70/57/568657057.db2.gz YSYXBOJDSRQFKJ-UHFFFAOYSA-N 0 0 439.875 4.178 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001090405 568658659 /nfs/dbraw/zinc/65/86/59/568658659.db2.gz QRRJHSVGAHTHAR-UHFFFAOYSA-N 0 0 447.364 4.431 50 0 IIAARN CSc1ncc(Cl)c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000025603752 568737180 /nfs/dbraw/zinc/73/71/80/568737180.db2.gz CENUVZWKXBIRBR-UHFFFAOYSA-N 0 0 443.303 4.441 50 0 IIAARN NC(=O)C1(Nc2ccc(Cl)cc2)CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263640049 568737435 /nfs/dbraw/zinc/73/74/35/568737435.db2.gz UYHMWULSLJXGCR-UHFFFAOYSA-N 0 0 447.288 4.339 50 0 IIAARN COc1cc(CCNC(=O)c2sc3ncc(C(C)=O)cc3c2C)ccc1OC(F)F ZINC000031652609 568741371 /nfs/dbraw/zinc/74/13/71/568741371.db2.gz SQKGLGNJJHVNON-UHFFFAOYSA-N 0 0 434.464 4.390 50 0 IIAARN Cc1cc(NC(=O)c2c(C)c(C)n[nH]c2=O)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000058779386 568741384 /nfs/dbraw/zinc/74/13/84/568741384.db2.gz MBGBTVNMTDNKPH-UHFFFAOYSA-N 0 0 425.798 4.218 50 0 IIAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H](C)C1)CCC2 ZINC000002072929 568742554 /nfs/dbraw/zinc/74/25/54/568742554.db2.gz LVCBMWWFAVHDRR-HNNXBMFYSA-N 0 0 427.570 4.168 50 0 IIAARN O=C(COC(=O)c1cccc(I)c1)c1ccc(Br)cc1 ZINC000001225186 568742770 /nfs/dbraw/zinc/74/27/70/568742770.db2.gz UCXIUFJECBOFFQ-UHFFFAOYSA-N 0 0 445.050 4.093 50 0 IIAARN CC(=O)c1ccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003239199 568743536 /nfs/dbraw/zinc/74/35/36/568743536.db2.gz BUIRVYVPCQFDMJ-UHFFFAOYSA-N 0 0 430.671 4.410 50 0 IIAARN COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000003291126 568745325 /nfs/dbraw/zinc/74/53/25/568745325.db2.gz AXUODOSLCIDUCO-NSHDSACASA-N 0 0 442.295 4.132 50 0 IIAARN Cc1ccc(C)c(C(=O)CCC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 ZINC000003311289 568745835 /nfs/dbraw/zinc/74/58/35/568745835.db2.gz GAOHVUYEAGJGSM-CQSZACIVSA-N 0 0 438.549 4.433 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O ZINC000003329471 568746243 /nfs/dbraw/zinc/74/62/43/568746243.db2.gz NJODTPWCJKYNOF-UHFFFAOYSA-N 0 0 429.545 4.145 50 0 IIAARN O=C(COC(=O)c1ccccc1F)Nc1ccc(Br)cc1Br ZINC000003348715 568746739 /nfs/dbraw/zinc/74/67/39/568746739.db2.gz RJVBCBWJYCBKRL-UHFFFAOYSA-N 0 0 431.055 4.146 50 0 IIAARN CCCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000003389073 568748332 /nfs/dbraw/zinc/74/83/32/568748332.db2.gz WNHQENZQLZEKCF-NRFANRHFSA-N 0 0 429.314 4.052 50 0 IIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)c1cc(C)n(C2CC2)c1C ZINC000003403492 568748453 /nfs/dbraw/zinc/74/84/53/568748453.db2.gz WLFSSDYXTSNIBW-HNNXBMFYSA-N 0 0 425.554 4.332 50 0 IIAARN Cc1cc(NC(=O)Cn2c(C)nc3c4cccnc4sc3c2=O)ccc1Br ZINC000044168695 568749096 /nfs/dbraw/zinc/74/90/96/568749096.db2.gz IXEWWGFDEIVGNS-UHFFFAOYSA-N 0 0 443.326 4.024 50 0 IIAARN C[C@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000031856327 568758548 /nfs/dbraw/zinc/75/85/48/568758548.db2.gz PEZWKEDDTXAERT-HNNXBMFYSA-N 0 0 440.927 4.286 50 0 IIAARN COc1ccc(CCNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)cc1 ZINC000263585932 568759299 /nfs/dbraw/zinc/75/92/99/568759299.db2.gz NYRNDSKBUBBLHT-UHFFFAOYSA-N 0 0 428.330 4.249 50 0 biogenic IIAARN Cc1c(OCC(=O)Nc2ccc(Br)cc2F)c(=O)ccn1CCC(C)C ZINC000263588257 568761048 /nfs/dbraw/zinc/76/10/48/568761048.db2.gz QXAIZKZVEWYWHJ-UHFFFAOYSA-N 0 0 425.298 4.122 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015391241 568761589 /nfs/dbraw/zinc/76/15/89/568761589.db2.gz VQAVBQIYDRODNI-KRWDZBQOSA-N 0 0 436.961 4.229 50 0 IIAARN CCCOc1ccc(CN(CCC)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000015418818 568762014 /nfs/dbraw/zinc/76/20/14/568762014.db2.gz NLTAOCNAAKGBLE-UHFFFAOYSA-N 0 0 441.572 4.037 50 0 IIAARN CCn1c2nnc(SCc3ccc(OC)cc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000001258987 568775305 /nfs/dbraw/zinc/77/53/05/568775305.db2.gz IEAQVGDYXQASAZ-UHFFFAOYSA-N 0 0 426.567 4.305 50 0 IIAARN O=C(OC1COC(c2ccc(Br)cc2)OC1)c1ccc(Br)cc1 ZINC000001296239 568778813 /nfs/dbraw/zinc/77/88/13/568778813.db2.gz QIZSDQBHWCHWMJ-UHFFFAOYSA-N 0 0 442.103 4.483 50 0 IIAARN CCOc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000001321059 568779964 /nfs/dbraw/zinc/77/99/64/568779964.db2.gz DDZGRCYIEQBQCG-AWEZNQCLSA-N 0 0 440.569 4.041 50 0 IIAARN CCc1cc2c(cc1OCC(=O)OC(C)C)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000001322578 568780206 /nfs/dbraw/zinc/78/02/06/568780206.db2.gz FYQVFNRCBLWDSI-UHFFFAOYSA-N 0 0 438.476 4.432 50 0 IIAARN CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000032100489 568780405 /nfs/dbraw/zinc/78/04/05/568780405.db2.gz UNLKTNQLVWHLCY-OAQYLSRUSA-N 0 0 427.291 4.492 50 0 IIAARN CC(C)C[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)N1Cc2ccccc2C1=O ZINC000032100225 568780437 /nfs/dbraw/zinc/78/04/37/568780437.db2.gz CDERLFRBRZAEBR-QFIPXVFZSA-N 0 0 440.971 4.221 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000032106584 568781257 /nfs/dbraw/zinc/78/12/57/568781257.db2.gz GIOVBWOARQBJJO-GOSISDBHSA-N 0 0 440.887 4.051 50 0 IIAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000019171453 568782337 /nfs/dbraw/zinc/78/23/37/568782337.db2.gz RNYKEFUCTFADGF-BZSNNMDCSA-N 0 0 436.726 4.182 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]1Cc3c(cnn3-c3cc(Cl)ccc3Cl)C(=O)N1CC2 ZINC000001393584 568785569 /nfs/dbraw/zinc/78/55/69/568785569.db2.gz UNLXDXQWPJUZNZ-KRWDZBQOSA-N 0 0 444.318 4.492 50 0 IIAARN COc1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000083947407 568786228 /nfs/dbraw/zinc/78/62/28/568786228.db2.gz JNXGTUJGMKSWIU-HSZRJFAPSA-N 0 0 435.545 4.125 50 0 IIAARN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000083966990 568787292 /nfs/dbraw/zinc/78/72/92/568787292.db2.gz FMIPWYNSBHRZHG-ZBEGNZNMSA-N 0 0 425.287 4.281 50 0 IIAARN COc1ccc(CCN(C(C)=O)C(C)(C)C(=O)Nc2ccc3c(ccn3C)c2)cc1OC ZINC000001409475 568787530 /nfs/dbraw/zinc/78/75/30/568787530.db2.gz ATEHEVSTULURGI-UHFFFAOYSA-N 0 0 437.540 4.004 50 0 IIAARN CCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002756400 568789093 /nfs/dbraw/zinc/78/90/93/568789093.db2.gz IVKSOOHGRHPXKY-KGLIPLIRSA-N 0 0 431.256 4.446 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(Cl)ccc3C)n2)ccc1C ZINC000016647649 568790787 /nfs/dbraw/zinc/79/07/87/568790787.db2.gz RHVXCBWCPZOQAA-OAHLLOKOSA-N 0 0 438.915 4.339 50 0 IIAARN C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000016648506 568791081 /nfs/dbraw/zinc/79/10/81/568791081.db2.gz MZOSSMOKVBDOMZ-ZDUSSCGKSA-N 0 0 438.578 4.302 50 0 IIAARN CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422889 568793345 /nfs/dbraw/zinc/79/33/45/568793345.db2.gz UWVHNEJMIIXTEY-HXUWFJFHSA-N 0 0 436.537 4.143 50 0 IIAARN Cn1c2ccccc2c(Br)c1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000084311265 568797032 /nfs/dbraw/zinc/79/70/32/568797032.db2.gz CXNBFTDKNDMBJH-HNNXBMFYSA-N 0 0 441.247 4.423 50 0 IIAARN O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000084429025 568797999 /nfs/dbraw/zinc/79/79/99/568797999.db2.gz DJOOFPUAUSSEAF-GOSISDBHSA-N 0 0 433.339 4.232 50 0 IIAARN NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000084442201 568798014 /nfs/dbraw/zinc/79/80/14/568798014.db2.gz TWNSTDJELFJLDC-LJQANCHMSA-N 0 0 432.954 4.115 50 0 IIAARN O=S(=O)(c1cc(Br)cnc1Cl)N1CCCCC[C@H]1c1ccncc1 ZINC000084615099 568799219 /nfs/dbraw/zinc/79/92/19/568799219.db2.gz UXDDZYIQPZDGFW-AWEZNQCLSA-N 0 0 430.755 4.199 50 0 IIAARN CCC[C@H](NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O)c1cccc(C(F)(F)F)c1 ZINC000084740449 568800797 /nfs/dbraw/zinc/80/07/97/568800797.db2.gz FGTGUKXQUXMTNP-KRWDZBQOSA-N 0 0 435.446 4.284 50 0 IIAARN CCN(CCOc1ccc(Br)cc1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000084774794 568801363 /nfs/dbraw/zinc/80/13/63/568801363.db2.gz KHUVERIJCDUQDD-UHFFFAOYSA-N 0 0 444.329 4.359 50 0 IIAARN CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@@H](O)c1ccc(Br)cc1 ZINC000084811036 568801707 /nfs/dbraw/zinc/80/17/07/568801707.db2.gz KTDPRFWEUXJEAV-YCRPNKLZSA-N 0 0 436.346 4.245 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1ccccc1Cl)CC(=O)N2 ZINC000015670637 568802516 /nfs/dbraw/zinc/80/25/16/568802516.db2.gz LXCRZEMDILQPIY-MRXNPFEDSA-N 0 0 434.862 4.299 50 0 IIAARN CCOc1ccccc1CNC(=O)CCN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000015680011 568805933 /nfs/dbraw/zinc/80/59/33/568805933.db2.gz QSJNJSQKIKSNKV-UHFFFAOYSA-N 0 0 431.492 4.248 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c2-n2cccc2)cc1 ZINC000015681354 568806473 /nfs/dbraw/zinc/80/64/73/568806473.db2.gz WAAJYLNHCIIZKN-UHFFFAOYSA-N 0 0 429.499 4.073 50 0 IIAARN C[C@@H]1CSc2ccc(S(=O)(=O)N(Cc3ccco3)C3CCCCC3)cc2NC1=O ZINC000015731178 568814595 /nfs/dbraw/zinc/81/45/95/568814595.db2.gz VLRLCRBJLMVXMH-OAHLLOKOSA-N 0 0 434.583 4.484 50 0 IIAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000015732602 568815443 /nfs/dbraw/zinc/81/54/43/568815443.db2.gz KVAONNULWGVOBR-UHFFFAOYSA-N 0 0 433.537 4.247 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733357 568815703 /nfs/dbraw/zinc/81/57/03/568815703.db2.gz JWDOQSZYRCJEAX-UHFFFAOYSA-N 0 0 429.432 4.208 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2Cl)c2cccs2)cc1 ZINC000015780758 568825206 /nfs/dbraw/zinc/82/52/06/568825206.db2.gz IYRHXMFYCHNVQG-IBGZPJMESA-N 0 0 435.954 4.355 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccco2)ccc1F ZINC000015781259 568825760 /nfs/dbraw/zinc/82/57/60/568825760.db2.gz NKEZVGMJNIBFOK-FQEVSTJZSA-N 0 0 435.904 4.254 50 0 IIAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NC2CCCCCCC2)c2ccccc21 ZINC000015784100 568826803 /nfs/dbraw/zinc/82/68/03/568826803.db2.gz LDGHHUFUTAJKLZ-UHFFFAOYSA-N 0 0 433.556 4.008 50 0 IIAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4F)cc3)n2)c1 ZINC000085609844 568828043 /nfs/dbraw/zinc/82/80/43/568828043.db2.gz KOZHUUIJEUYHQM-UHFFFAOYSA-N 0 0 443.478 4.189 50 0 IIAARN COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1Cl ZINC000085642033 568829012 /nfs/dbraw/zinc/82/90/12/568829012.db2.gz JIQWPJWOUZFCEV-UHFFFAOYSA-N 0 0 447.944 4.164 50 0 IIAARN CCCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4cccnc4)ccc3[nH]2)cc1 ZINC000085653767 568832378 /nfs/dbraw/zinc/83/23/78/568832378.db2.gz RXTLHZFQSNWXOS-UHFFFAOYSA-N 0 0 441.535 4.412 50 0 IIAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000583652800 568837717 /nfs/dbraw/zinc/83/77/17/568837717.db2.gz XOTNHHRQTKJSRU-DQEYMECFSA-N 0 0 425.532 4.403 50 0 biogenic IIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000104916847 568839150 /nfs/dbraw/zinc/83/91/50/568839150.db2.gz BDKCWXZHYWYCQR-XNMGPUDCSA-N 0 0 441.575 4.188 50 0 IIAARN COc1ccccc1NC(=O)COc1cc(CSc2nc(C)cs2)ncc1OC ZINC000015823886 568840180 /nfs/dbraw/zinc/84/01/80/568840180.db2.gz DFJABSXPPGRETM-UHFFFAOYSA-N 0 0 431.539 4.174 50 0 IIAARN CCc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1 ZINC000015824017 568840365 /nfs/dbraw/zinc/84/03/65/568840365.db2.gz GFIWVIVJSKTKIQ-UHFFFAOYSA-N 0 0 430.555 4.122 50 0 IIAARN O=C(/C=C\c1ccccc1)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000033387668 568842406 /nfs/dbraw/zinc/84/24/06/568842406.db2.gz HBUKBRDASJYJQI-BLIJAFNYSA-N 0 0 444.771 4.205 50 0 IIAARN CC(=O)[C@@H](C[C@@H](C(C)=O)C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl ZINC000019891433 568842555 /nfs/dbraw/zinc/84/25/55/568842555.db2.gz WGLGFAXMURDXDQ-GASCZTMLSA-N 0 0 435.307 4.371 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2Br)o1 ZINC000025694827 568842724 /nfs/dbraw/zinc/84/27/24/568842724.db2.gz PLVCOGKLMFAFPK-UHFFFAOYSA-N 0 0 446.297 4.290 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)c1C ZINC000015862531 568848852 /nfs/dbraw/zinc/84/88/52/568848852.db2.gz HBAFVFQVQNGNAP-UHFFFAOYSA-N 0 0 440.521 4.441 50 0 IIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 ZINC000015863250 568849063 /nfs/dbraw/zinc/84/90/63/568849063.db2.gz JQLNNXABFQZXHV-UHFFFAOYSA-N 0 0 447.539 4.046 50 0 IIAARN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863258 568849135 /nfs/dbraw/zinc/84/91/35/568849135.db2.gz VNJCCJIVVYJCRC-UHFFFAOYSA-N 0 0 435.503 4.176 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(F)cc2C)cc1 ZINC000015865588 568850566 /nfs/dbraw/zinc/85/05/66/568850566.db2.gz RWOAEMQANKXTJL-HSZRJFAPSA-N 0 0 438.524 4.197 50 0 IIAARN COc1cn(CC(=O)NCc2ccccc2)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883918 568858136 /nfs/dbraw/zinc/85/81/36/568858136.db2.gz ZKETVORRKAXAIF-UHFFFAOYSA-N 0 0 428.941 4.119 50 0 IIAARN CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(C)cc2)cc1 ZINC000015883943 568858248 /nfs/dbraw/zinc/85/82/48/568858248.db2.gz GDSFYSBOVSWXQF-UHFFFAOYSA-N 0 0 438.549 4.495 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1OCCOc1ccccc1 ZINC000015914033 568858634 /nfs/dbraw/zinc/85/86/34/568858634.db2.gz LGFBFOMIBNBSPE-NRFANRHFSA-N 0 0 447.531 4.439 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414651 568862479 /nfs/dbraw/zinc/86/24/79/568862479.db2.gz GPOHWHWHUCMRAG-LJQANCHMSA-N 0 0 446.981 4.466 50 0 IIAARN CCCC[C@]1(c2ccccc2)NC(=O)N(CN(C)CCOc2ccccc2Cl)C1=O ZINC000016047056 568868826 /nfs/dbraw/zinc/86/88/26/568868826.db2.gz ZDMMFCNIUPQKGQ-HSZRJFAPSA-N 0 0 429.948 4.246 50 0 IIAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)nc2)c2ccccc21 ZINC000575443222 568868935 /nfs/dbraw/zinc/86/89/35/568868935.db2.gz PRHDTBUGOFJEGJ-QGZVFWFLSA-N 0 0 428.920 4.301 50 0 IIAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000016047973 568869360 /nfs/dbraw/zinc/86/93/60/568869360.db2.gz DEIHXUZVIIQWNT-UHFFFAOYSA-N 0 0 425.481 4.168 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 ZINC000016047961 568869385 /nfs/dbraw/zinc/86/93/85/568869385.db2.gz QGUWIBSHAUZDMN-UHFFFAOYSA-N 0 0 443.319 4.000 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1 ZINC000016050323 568869429 /nfs/dbraw/zinc/86/94/29/568869429.db2.gz KTOFMBIKADYTOD-UHFFFAOYSA-N 0 0 431.897 4.393 50 0 IIAARN C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000016063108 568869525 /nfs/dbraw/zinc/86/95/25/568869525.db2.gz OETUSTZUGLJMJQ-LLVKDONJSA-N 0 0 439.320 4.392 50 0 IIAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c2ccccc12 ZINC000012941447 568869987 /nfs/dbraw/zinc/86/99/87/568869987.db2.gz BRKZYCPUHXCDLF-UHFFFAOYSA-N 0 0 445.519 4.298 50 0 IIAARN O=S(=O)(c1ccc2oc(Nc3cc4c(cc3Cl)OCO4)nc2c1)N1CCCCC1 ZINC000012951243 568872123 /nfs/dbraw/zinc/87/21/23/568872123.db2.gz IEGJLTOZUBZAAA-UHFFFAOYSA-N 0 0 435.889 4.128 50 0 IIAARN C[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012950441 568872277 /nfs/dbraw/zinc/87/22/77/568872277.db2.gz HEXSKRYFKBMFPT-DYVFJYSZSA-N 0 0 445.516 4.006 50 0 IIAARN O=C(CSc1nccc(C(F)(F)F)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000026340542 568877096 /nfs/dbraw/zinc/87/70/96/568877096.db2.gz TUQPEGUPVNSKOS-CQSZACIVSA-N 0 0 439.459 4.113 50 0 IIAARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cc(-c2cccs2)on1 ZINC000575608656 568878408 /nfs/dbraw/zinc/87/84/08/568878408.db2.gz XEJASMLWNVVRDR-UHFFFAOYSA-N 0 0 430.449 4.086 50 0 IIAARN Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)n1CCc1cccs1 ZINC000035343710 568880456 /nfs/dbraw/zinc/88/04/56/568880456.db2.gz IVWDIIPPQDGBBQ-UHFFFAOYSA-N 0 0 435.593 4.050 50 0 IIAARN O=C(c1ccc(N2CCOCC2)cc1)N(C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000063939638 568880852 /nfs/dbraw/zinc/88/08/52/568880852.db2.gz OUTYDLQHQXLBOY-OAQYLSRUSA-N 0 0 445.357 4.112 50 0 IIAARN COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000006250943 568880877 /nfs/dbraw/zinc/88/08/77/568880877.db2.gz SWCXXURFEZWSNN-HUUCEWRRSA-N 0 0 436.961 4.268 50 0 IIAARN COC(=O)c1sc2cccc(Cl)c2c1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000575615839 568881257 /nfs/dbraw/zinc/88/12/57/568881257.db2.gz JXUPPWIQBZOYJH-UHFFFAOYSA-N 0 0 437.926 4.062 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617238 568881710 /nfs/dbraw/zinc/88/17/10/568881710.db2.gz MZGVFMRECDXMJG-NRFANRHFSA-N 0 0 446.931 4.476 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575617401 568881802 /nfs/dbraw/zinc/88/18/02/568881802.db2.gz PAPYHNPSQDQSOL-NRFANRHFSA-N 0 0 439.558 4.374 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000013137167 568888220 /nfs/dbraw/zinc/88/82/20/568888220.db2.gz JAQOVZHQKFPDDN-UHFFFAOYSA-N 0 0 436.577 4.284 50 0 IIAARN COc1ccc(/C=C/C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1OC ZINC000090607140 568889752 /nfs/dbraw/zinc/88/97/52/568889752.db2.gz ANCVTBQCDWCGTO-CSKARUKUSA-N 0 0 432.524 4.407 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607520 568889845 /nfs/dbraw/zinc/88/98/45/568889845.db2.gz YEQOLVQVWOVCHM-UHFFFAOYSA-N 0 0 434.393 4.313 50 0 IIAARN O=C(N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCOCC1 ZINC000090607577 568889868 /nfs/dbraw/zinc/88/98/68/568889868.db2.gz JKEJLJOJWSBJOY-UHFFFAOYSA-N 0 0 434.458 4.219 50 0 IIAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)o1 ZINC000090610313 568892285 /nfs/dbraw/zinc/89/22/85/568892285.db2.gz BCSGOAWKABAMCK-UHFFFAOYSA-N 0 0 435.904 4.426 50 0 IIAARN O=C(OCc1ncc(-c2ccccc2)o1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000013068326 568892982 /nfs/dbraw/zinc/89/29/82/568892982.db2.gz HELFZRBMHUIYRY-ZHZULCJRSA-N 0 0 439.431 4.330 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc(OC)c1 ZINC000012986317 568895052 /nfs/dbraw/zinc/89/50/52/568895052.db2.gz WFMXWWUOIQGVJQ-QPJJXVBHSA-N 0 0 443.550 4.177 50 0 IIAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000013002049 568898358 /nfs/dbraw/zinc/89/83/58/568898358.db2.gz IKOZTFOHBNMQRS-SNVBAGLBSA-N 0 0 426.470 4.464 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003134 568898511 /nfs/dbraw/zinc/89/85/11/568898511.db2.gz YZUWLZZQVXTOMM-OAHLLOKOSA-N 0 0 448.426 4.135 50 0 IIAARN O=C(CCNC(=O)c1ccc(F)cc1F)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013002990 568898559 /nfs/dbraw/zinc/89/85/59/568898559.db2.gz GGYQQOSFCJKYDO-QFIPXVFZSA-N 0 0 426.488 4.321 50 0 IIAARN COc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000013003548 568898779 /nfs/dbraw/zinc/89/87/79/568898779.db2.gz UWAYMVCIKXDVFZ-UHFFFAOYSA-N 0 0 436.533 4.457 50 0 IIAARN O=C(CSc1nnc2ccccn21)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000013005311 568899145 /nfs/dbraw/zinc/89/91/45/568899145.db2.gz CEMDAMZTJOICGP-UHFFFAOYSA-N 0 0 437.912 4.366 50 0 IIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)nn32)cc1 ZINC000245247155 568913464 /nfs/dbraw/zinc/91/34/64/568913464.db2.gz QPMYMXRRLHYHTG-YSFYHYPLSA-N 0 0 439.519 4.188 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256766 568914008 /nfs/dbraw/zinc/91/40/08/568914008.db2.gz SHYRXROEJRPOQG-DSLXNQLJSA-N 0 0 440.952 4.268 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000245312813 568914840 /nfs/dbraw/zinc/91/48/40/568914840.db2.gz XLXRUPRQLVRUSF-OVQGTLEDSA-N 0 0 433.581 4.494 50 0 IIAARN CCc1c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)noc1-c1ccc(Cl)s1 ZINC000089282607 568916499 /nfs/dbraw/zinc/91/64/99/568916499.db2.gz ODOLIYLHJVGHRX-UHFFFAOYSA-N 0 0 434.905 4.202 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)c(C)c1 ZINC000247870919 568918854 /nfs/dbraw/zinc/91/88/54/568918854.db2.gz KWKDINVTDZGBHV-UARRHKHWSA-N 0 0 438.483 4.295 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000248211337 568919134 /nfs/dbraw/zinc/91/91/34/568919134.db2.gz DHFHICQQFCQDAA-GTAWCEEGSA-N 0 0 440.952 4.270 50 0 IIAARN COC(=O)Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 ZINC000026850492 568919230 /nfs/dbraw/zinc/91/92/30/568919230.db2.gz FHQHMJRKRXUJPL-NSHDSACASA-N 0 0 426.694 4.224 50 0 IIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccccc1C ZINC000001907022 568919499 /nfs/dbraw/zinc/91/94/99/568919499.db2.gz DXHYCSVTIILKCG-UHFFFAOYSA-N 0 0 446.532 4.494 50 0 IIAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1sc2ncccc2c1N ZINC000064370035 568920041 /nfs/dbraw/zinc/92/00/41/568920041.db2.gz UQZIAFXGQSFINJ-UHFFFAOYSA-N 0 0 430.946 4.058 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000089319559 568920724 /nfs/dbraw/zinc/92/07/24/568920724.db2.gz JKSWTQOUYDRRKI-HTAPYJJXSA-N 0 0 432.973 4.132 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000089319564 568920741 /nfs/dbraw/zinc/92/07/41/568920741.db2.gz JKSWTQOUYDRRKI-VGSWGCGISA-N 0 0 432.973 4.132 50 0 IIAARN O=C(CCCCCNC(=O)c1ccccc1)OCC(=O)c1ccc(Br)cc1 ZINC000001926061 568923313 /nfs/dbraw/zinc/92/33/13/568923313.db2.gz SJNMMGDAXIQHMZ-UHFFFAOYSA-N 0 0 432.314 4.165 50 0 IIAARN COc1cc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2C)cc(OC)c1OC ZINC000001927087 568923517 /nfs/dbraw/zinc/92/35/17/568923517.db2.gz TYNXDYXQOGSAHR-UHFFFAOYSA-N 0 0 445.519 4.349 50 0 IIAARN CCCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000009069071 568927458 /nfs/dbraw/zinc/92/74/58/568927458.db2.gz QYVHMNFSAAPKOQ-RTFZILSDSA-N 0 0 444.553 4.476 50 0 biogenic IIAARN Cc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccccc2Br)CC3)c1 ZINC000035815309 568927556 /nfs/dbraw/zinc/92/75/56/568927556.db2.gz SZBPMSRZSSXWEI-UHFFFAOYSA-N 0 0 439.313 4.098 50 0 IIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)Nc1ccccc1 ZINC000064438493 568928332 /nfs/dbraw/zinc/92/83/32/568928332.db2.gz UHDROIVGFUZDJO-UHFFFAOYSA-N 0 0 445.494 4.160 50 0 IIAARN CCC(=O)N1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450892 568928827 /nfs/dbraw/zinc/92/88/27/568928827.db2.gz DWUYQINZJVYPJQ-UHFFFAOYSA-N 0 0 426.590 4.035 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064450052 568929005 /nfs/dbraw/zinc/92/90/05/568929005.db2.gz YHTORCQXFVHFFX-UHFFFAOYSA-N 0 0 443.507 4.018 50 0 IIAARN CCCCCC(=O)N(CCOC)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000016653569 568929615 /nfs/dbraw/zinc/92/96/15/568929615.db2.gz GPUQMKMNMPZJJI-UHFFFAOYSA-N 0 0 437.533 4.149 50 0 IIAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000064471935 568930028 /nfs/dbraw/zinc/93/00/28/568930028.db2.gz RDDCKOCQYTXHTO-UHFFFAOYSA-N 0 0 439.512 4.483 50 0 IIAARN O=C1C(=O)N(Cc2cccs2)[C@@H](c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064558151 568932155 /nfs/dbraw/zinc/93/21/55/568932155.db2.gz GNNGDXKRQPSADC-SFHVURJKSA-N 0 0 429.494 4.214 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1 ZINC000064558479 568932360 /nfs/dbraw/zinc/93/23/60/568932360.db2.gz YKPKHRZKWNZSLC-LJQANCHMSA-N 0 0 425.531 4.384 50 0 IIAARN Cc1ccc(C)c(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c1 ZINC000064566166 568932962 /nfs/dbraw/zinc/93/29/62/568932962.db2.gz RQYSBVZZLYXSMD-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)c(C)c1 ZINC000064567207 568933388 /nfs/dbraw/zinc/93/33/88/568933388.db2.gz KYRYXSLRBZHKHH-HXUWFJFHSA-N 0 0 445.563 4.283 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000006582012 568933832 /nfs/dbraw/zinc/93/38/32/568933832.db2.gz SFFUZSHPKSEYQK-LJQANCHMSA-N 0 0 426.948 4.362 50 0 IIAARN Cc1cccc(-n2c(CN3CCN(C(=O)Nc4ccccc4F)CC3)nc3cccnc32)c1 ZINC000064578778 568934136 /nfs/dbraw/zinc/93/41/36/568934136.db2.gz KTLPBIUXWLMIEN-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN CCn1c2cc(NC(=O)Nc3cc(F)ccc3F)c(N3CCCC3)cc2n(CC)c1=O ZINC000064591129 568935415 /nfs/dbraw/zinc/93/54/15/568935415.db2.gz LHYRYHXGOVLMAQ-UHFFFAOYSA-N 0 0 429.471 4.365 50 0 IIAARN Cc1ccc(C)c(C(=O)CSc2nnc3c(=O)n(-c4cccc(Cl)c4C)ccn23)c1 ZINC000064593737 568936099 /nfs/dbraw/zinc/93/60/99/568936099.db2.gz WTRQJUCHFYDZEX-UHFFFAOYSA-N 0 0 438.940 4.434 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2cc(C)ccc2C)c1=O ZINC000064605052 568939083 /nfs/dbraw/zinc/93/90/83/568939083.db2.gz NRLNGNXMDFZNHM-HNNXBMFYSA-N 0 0 438.915 4.339 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000064656958 568942318 /nfs/dbraw/zinc/94/23/18/568942318.db2.gz YUGHDNNROALZGI-AWEZNQCLSA-N 0 0 435.473 4.342 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2c(F)cccc2F)cc1 ZINC000064656953 568942385 /nfs/dbraw/zinc/94/23/85/568942385.db2.gz IYKCKRHFHBOUFN-ZDUSSCGKSA-N 0 0 435.473 4.342 50 0 IIAARN Cc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)cc1Cl ZINC000064665361 568942782 /nfs/dbraw/zinc/94/27/82/568942782.db2.gz QHOJVARCPFZOTE-UHFFFAOYSA-N 0 0 426.879 4.282 50 0 IIAARN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000006641418 568943556 /nfs/dbraw/zinc/94/35/56/568943556.db2.gz ITSCQCNNKPDZBV-QNIAMRLHSA-N 0 0 425.525 4.221 50 0 IIAARN CC[C@@H](C)CN1C(=O)[C@H](CC(C)C)NC12CCN(C(=S)Nc1cccc(C)c1)CC2 ZINC000036032782 568943880 /nfs/dbraw/zinc/94/38/80/568943880.db2.gz SVAQYOLEMLLBOS-NQIIRXRSSA-N 0 0 430.662 4.377 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083433 568947027 /nfs/dbraw/zinc/94/70/27/568947027.db2.gz FBIRSHZCSNKNOG-NRFANRHFSA-N 0 0 444.915 4.331 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000036083734 568947441 /nfs/dbraw/zinc/94/74/41/568947441.db2.gz DYZLDOCPTGXMQY-JOCHJYFZSA-N 0 0 440.471 4.011 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083867 568947541 /nfs/dbraw/zinc/94/75/41/568947541.db2.gz UTUSPBBAGFLZCD-OAQYLSRUSA-N 0 0 430.451 4.174 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1csc(COc2cccc(C(F)(F)F)c2)n1 ZINC000036084578 568947840 /nfs/dbraw/zinc/94/78/40/568947840.db2.gz FSVLKXYHXLQITJ-UHFFFAOYSA-N 0 0 436.411 4.400 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c(OC)c1 ZINC000064747731 568950210 /nfs/dbraw/zinc/95/02/10/568950210.db2.gz NJXAXXBEEGKRHW-KRWDZBQOSA-N 0 0 430.411 4.401 50 0 IIAARN Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4ccc(Cl)cc4)ccc32)cc1 ZINC000064748011 568950562 /nfs/dbraw/zinc/95/05/62/568950562.db2.gz OJUZFTOWYDRIQX-UHFFFAOYSA-N 0 0 447.926 4.352 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(F)c4)CC3=O)c2)cc1 ZINC000064754694 568951038 /nfs/dbraw/zinc/95/10/38/568951038.db2.gz JYGBZFJCRWGBHW-SFHVURJKSA-N 0 0 431.467 4.378 50 0 IIAARN CCN1c2ccc(CNC(=O)c3ccc(OC)c(F)c3)cc2Sc2ncccc2C1=O ZINC000064759607 568952052 /nfs/dbraw/zinc/95/20/52/568952052.db2.gz LZRIQGFXFMYYMO-UHFFFAOYSA-N 0 0 437.496 4.291 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)CC(C)(C)C)c1 ZINC000006695937 568952498 /nfs/dbraw/zinc/95/24/98/568952498.db2.gz IYTRLNWAOSEKSJ-UHFFFAOYSA-N 0 0 425.573 4.303 50 0 IIAARN COCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccccc1F ZINC000036106219 568953662 /nfs/dbraw/zinc/95/36/62/568953662.db2.gz FCTHGFVMXYVQLG-UHFFFAOYSA-N 0 0 430.501 4.159 50 0 IIAARN Cc1cn2c(nc(COc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc2=O)s1 ZINC000064775699 568954700 /nfs/dbraw/zinc/95/47/00/568954700.db2.gz HIMWRVBRQKZVOQ-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064775755 568954861 /nfs/dbraw/zinc/95/48/61/568954861.db2.gz ZIRFVZVKPDOOGF-UHFFFAOYSA-N 0 0 443.503 4.388 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000064775703 568954948 /nfs/dbraw/zinc/95/49/48/568954948.db2.gz YEWYLDYVXSMEGP-OAQYLSRUSA-N 0 0 449.532 4.440 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000036116440 568955606 /nfs/dbraw/zinc/95/56/06/568955606.db2.gz MTDFPIDIKYQMLS-IBGZPJMESA-N 0 0 447.988 4.100 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)[C@@H](C)CC ZINC000036117272 568955627 /nfs/dbraw/zinc/95/56/27/568955627.db2.gz QFABDECVPQTHTA-UWJYYQICSA-N 0 0 444.597 4.299 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccc(F)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787681 568956239 /nfs/dbraw/zinc/95/62/39/568956239.db2.gz OFKSONVCXDEDBR-HSZRJFAPSA-N 0 0 447.510 4.008 50 0 IIAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(C(C)C)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788224 568956649 /nfs/dbraw/zinc/95/66/49/568956649.db2.gz PZCMZXNKJQFRRK-RUZDIDTESA-N 0 0 443.547 4.257 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000036119776 568956851 /nfs/dbraw/zinc/95/68/51/568956851.db2.gz YVPHVLJIYWEXMN-OAQYLSRUSA-N 0 0 428.598 4.456 50 0 IIAARN CCCc1cc(N2CCN(c3ccccc3Cl)CC2)n2nc(-c3cccnc3)nc2n1 ZINC000064790962 568957548 /nfs/dbraw/zinc/95/75/48/568957548.db2.gz PBVIUIRVGFLOSK-UHFFFAOYSA-N 0 0 433.947 4.119 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O ZINC000036121132 568957832 /nfs/dbraw/zinc/95/78/32/568957832.db2.gz OMUMOAGRRMHIHZ-HRAATJIYSA-N 0 0 432.561 4.287 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121756 568957980 /nfs/dbraw/zinc/95/79/80/568957980.db2.gz UJUIEHVZZUBRBD-NRFANRHFSA-N 0 0 432.561 4.287 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)[C@@H](C)CC ZINC000036122672 568958206 /nfs/dbraw/zinc/95/82/06/568958206.db2.gz FIAXRDHXOBODSL-RXVVDRJESA-N 0 0 443.613 4.473 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@H](C)CC ZINC000036122820 568958349 /nfs/dbraw/zinc/95/83/49/568958349.db2.gz LFHZPZWZDCOVQM-WIYYLYMNSA-N 0 0 443.613 4.391 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)[C@H](C)CC ZINC000036123150 568958503 /nfs/dbraw/zinc/95/85/03/568958503.db2.gz LRTCIJBNVWPWIC-UZLBHIALSA-N 0 0 447.576 4.222 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)C ZINC000036123131 568958556 /nfs/dbraw/zinc/95/85/56/568958556.db2.gz YYTUDMONHWSLHV-FQEVSTJZSA-N 0 0 447.576 4.222 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036123665 568958726 /nfs/dbraw/zinc/95/87/26/568958726.db2.gz CNKQXCUPAAYWRG-LJQANCHMSA-N 0 0 447.576 4.222 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)NC(C)(C)C ZINC000036123932 568958761 /nfs/dbraw/zinc/95/87/61/568958761.db2.gz UEKKXWWPASVLQA-IBGZPJMESA-N 0 0 443.613 4.391 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)cc1 ZINC000064791494 568958823 /nfs/dbraw/zinc/95/88/23/568958823.db2.gz MMPJCCTUVKAABI-UHFFFAOYSA-N 0 0 449.518 4.477 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)NC3CCCCC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791623 568959015 /nfs/dbraw/zinc/95/90/15/568959015.db2.gz MTDYJBWJXFBWQW-UHFFFAOYSA-N 0 0 427.512 4.301 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000064792650 568959469 /nfs/dbraw/zinc/95/94/69/568959469.db2.gz VNDRFUUZVUUJPQ-JOCHJYFZSA-N 0 0 444.445 4.041 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1 ZINC000064793396 568959584 /nfs/dbraw/zinc/95/95/84/568959584.db2.gz HCDIIFZCQHDMAD-DEOSSOPVSA-N 0 0 442.567 4.189 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1OC ZINC000064797884 568960416 /nfs/dbraw/zinc/96/04/16/568960416.db2.gz QKVZWGGPEUGLEU-HNNXBMFYSA-N 0 0 429.519 4.072 50 0 IIAARN COCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000006711947 568960931 /nfs/dbraw/zinc/96/09/31/568960931.db2.gz PMOONZKZXUMXIH-UHFFFAOYSA-N 0 0 430.524 4.167 50 0 IIAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c1 ZINC000006712171 568960965 /nfs/dbraw/zinc/96/09/65/568960965.db2.gz RMEUONXRLLGNNS-FQEVSTJZSA-N 0 0 427.545 4.152 50 0 IIAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817140 568964328 /nfs/dbraw/zinc/96/43/28/568964328.db2.gz IMRZOCNHVLPYRA-UHFFFAOYSA-N 0 0 447.564 4.009 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817293 568964466 /nfs/dbraw/zinc/96/44/66/568964466.db2.gz SCZCJCGIDAAFQK-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064816259 568965069 /nfs/dbraw/zinc/96/50/69/568965069.db2.gz HTGPWFDMNFPSMZ-RUZDIDTESA-N 0 0 432.524 4.183 50 0 IIAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4cccs4)cc3nc2N2CCCC2)c1 ZINC000064819442 568966225 /nfs/dbraw/zinc/96/62/25/568966225.db2.gz CUELTRPBXXCKJP-UHFFFAOYSA-N 0 0 444.560 4.286 50 0 IIAARN O=C(NCCc1cccs1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819391 568966230 /nfs/dbraw/zinc/96/62/30/568966230.db2.gz LPBKTFOAIFLQRZ-UHFFFAOYSA-N 0 0 444.560 4.020 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccccc3)ccc2c(=O)n1-c1ccccc1 ZINC000064819543 568966569 /nfs/dbraw/zinc/96/65/69/568966569.db2.gz JIFCFDLBRTZQJZ-UHFFFAOYSA-N 0 0 426.520 4.162 50 0 IIAARN COc1cccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)C3CCCC3)C2=O)c1 ZINC000036165133 568968155 /nfs/dbraw/zinc/96/81/55/568968155.db2.gz YYLNSIQAYCBCJH-VWLOTQADSA-N 0 0 436.577 4.469 50 0 IIAARN CN1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000169620846 568969976 /nfs/dbraw/zinc/96/99/76/568969976.db2.gz GEMFAWUXUVGGTE-XZIKAVMCSA-N 0 0 428.580 4.057 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842420 568970835 /nfs/dbraw/zinc/97/08/35/568970835.db2.gz OQOKDOSKMYVLFN-GOSISDBHSA-N 0 0 436.443 4.097 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842418 568970886 /nfs/dbraw/zinc/97/08/86/568970886.db2.gz OQOKDOSKMYVLFN-SFHVURJKSA-N 0 0 436.443 4.097 50 0 IIAARN COc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1OC ZINC000064848229 568971592 /nfs/dbraw/zinc/97/15/92/568971592.db2.gz PAQHTWXUOAIWBL-UHFFFAOYSA-N 0 0 431.536 4.289 50 0 IIAARN Cc1ccc(-c2nc(C(=O)NCCN3CCc4ccccc4C3)c3n2CCCCC3)cc1 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443.507 4.244 50 0 IIAARN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCCCOc1cccc2cccnc21 ZINC000089808057 569165125 /nfs/dbraw/zinc/16/51/25/569165125.db2.gz CIYURKKJEGBVJX-UHFFFAOYSA-N 0 0 434.471 4.332 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000089893481 569166652 /nfs/dbraw/zinc/16/66/52/569166652.db2.gz WJGZWDLFWJNWCG-ZJSXRUAMSA-N 0 0 440.588 4.232 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000016944905 569166927 /nfs/dbraw/zinc/16/69/27/569166927.db2.gz VJHIKIVUARSICX-UHFFFAOYSA-N 0 0 438.958 4.002 50 0 IIAARN CC(C)=CCC[C@]1(C)NC(=O)N(Cc2csc(N(C(C)=O)c3ccccc3)n2)C1=O ZINC000089914120 569167517 /nfs/dbraw/zinc/16/75/17/569167517.db2.gz CEIZOZJASORBSH-QFIPXVFZSA-N 0 0 426.542 4.385 50 0 IIAARN CCCc1ccc([C@@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1 ZINC000089960452 569168957 /nfs/dbraw/zinc/16/89/57/569168957.db2.gz GRZITYBQZWAXEH-PXDATVDWSA-N 0 0 447.560 4.275 50 0 IIAARN CCN1C[C@H](CN(C)C(=O)c2ccc(OCc3c(C)noc3C)cc2)Oc2ccccc21 ZINC000089977167 569169469 /nfs/dbraw/zinc/16/94/69/569169469.db2.gz BBNDWPMAEHHWES-NRFANRHFSA-N 0 0 435.524 4.230 50 0 IIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCCc4cc(F)cc(F)c43)cc2)c1C ZINC000089984903 569169959 /nfs/dbraw/zinc/16/99/59/569169959.db2.gz MSMXJNPNIBCFNW-UHFFFAOYSA-N 0 0 425.435 4.229 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1OC ZINC000017013264 569170854 /nfs/dbraw/zinc/17/08/54/569170854.db2.gz LEIAMNDMCGNNEC-UHFFFAOYSA-N 0 0 433.512 4.398 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1C(=O)COc1ccccc1 ZINC000037355959 569171272 /nfs/dbraw/zinc/17/12/72/569171272.db2.gz FEMDSUADFKHVTL-QGZVFWFLSA-N 0 0 438.915 4.038 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4F)ncn3)C[C@H]2C)c1 ZINC000037356024 569171274 /nfs/dbraw/zinc/17/12/74/569171274.db2.gz DJGYYMVQGHGNIA-QGZVFWFLSA-N 0 0 436.487 4.076 50 0 IIAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)CCc3ccccc3)[C@H](C)C2)ncn1 ZINC000037356811 569172753 /nfs/dbraw/zinc/17/27/53/569172753.db2.gz UMKJKWDSBUEWAR-LJQANCHMSA-N 0 0 434.515 4.386 50 0 IIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000723476 569176178 /nfs/dbraw/zinc/17/61/78/569176178.db2.gz GSDUZVVKIQFVTB-MRXNPFEDSA-N 0 0 433.744 4.439 50 0 IIAARN CCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000002079182 569177076 /nfs/dbraw/zinc/17/70/76/569177076.db2.gz NLFOGLIPHGRESB-FQEVSTJZSA-N 0 0 446.341 4.192 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000002092365 569178830 /nfs/dbraw/zinc/17/88/30/569178830.db2.gz KSGPKSKWCYQRGH-UHFFFAOYSA-N 0 0 435.476 4.422 50 0 biogenic IIAARN CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CC)CCCC4)cc1 ZINC000002368473 569180801 /nfs/dbraw/zinc/18/08/01/569180801.db2.gz GZSIDXYUKFOCTK-UHFFFAOYSA-N 0 0 443.594 4.486 50 0 IIAARN O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000170643547 569186382 /nfs/dbraw/zinc/18/63/82/569186382.db2.gz JIJLLDUQYAAAJF-UHFFFAOYSA-N 0 0 427.869 4.008 50 0 IIAARN COC(=O)c1ccc(Cl)c(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c1 ZINC000015009061 569188029 /nfs/dbraw/zinc/18/80/29/569188029.db2.gz FLYMZGBRJKTADB-ODLFYWEKSA-N 0 0 436.876 4.157 50 0 IIAARN CCCCCN=c1c(Br)cccn1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000252507149 569188233 /nfs/dbraw/zinc/18/82/33/569188233.db2.gz ZQPWRVMZTBRROT-UHFFFAOYSA-N 0 0 425.330 4.487 50 0 IIAARN CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000002163735 569189052 /nfs/dbraw/zinc/18/90/52/569189052.db2.gz NMZWQNBOBGBZSG-AWQFTUOYSA-N 0 0 449.488 4.065 50 0 IIAARN CC(C)(C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002178375 569190311 /nfs/dbraw/zinc/19/03/11/569190311.db2.gz JQSFXTWEMGMJTP-UHFFFAOYSA-N 0 0 447.359 4.238 50 0 IIAARN CC[C@H](C)NC(=O)CCN(CCOC)c1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000037384408 569192159 /nfs/dbraw/zinc/19/21/59/569192159.db2.gz SPHIVJACENABSO-HNNXBMFYSA-N 0 0 430.936 4.301 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1ccc(F)cc1 ZINC000037399026 569194182 /nfs/dbraw/zinc/19/41/82/569194182.db2.gz BWDXCZWMECOFBS-UHFFFAOYSA-N 0 0 436.506 4.179 50 0 IIAARN CC(C)c1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)cc1 ZINC000037399344 569194354 /nfs/dbraw/zinc/19/43/54/569194354.db2.gz AIMBPHCAIKSJMD-IBGZPJMESA-N 0 0 441.531 4.153 50 0 IIAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(C)=O)CC2)c1Cc1cc(C)ccc1C ZINC000037399424 569194359 /nfs/dbraw/zinc/19/43/59/569194359.db2.gz QCLGRYJMSWGSJT-UHFFFAOYSA-N 0 0 444.579 4.166 50 0 IIAARN O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000037426522 569195614 /nfs/dbraw/zinc/19/56/14/569195614.db2.gz SBBZPAZFPAAMGO-LLVKDONJSA-N 0 0 439.368 4.324 50 0 IIAARN CC(=O)Nc1ccc2c(CSc3nc(C)c(C)n3C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000037458168 569197261 /nfs/dbraw/zinc/19/72/61/569197261.db2.gz MWLSVIOMRZMMAU-GOSISDBHSA-N 0 0 427.526 4.036 50 0 IIAARN C[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cccc(Br)c1 ZINC000037521851 569198259 /nfs/dbraw/zinc/19/82/59/569198259.db2.gz YVBCFQOGZSWJPI-GFCCVEGCSA-N 0 0 441.247 4.345 50 0 IIAARN O=C(NCc1ccncc1)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037524074 569198365 /nfs/dbraw/zinc/19/83/65/569198365.db2.gz KFOWHBNIAFWOGO-UHFFFAOYSA-N 0 0 448.954 4.064 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(OC)c2)CC1 ZINC000037541558 569199308 /nfs/dbraw/zinc/19/93/08/569199308.db2.gz ZTPWAWNXYYENBZ-UHFFFAOYSA-N 0 0 440.565 4.483 50 0 IIAARN COc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2scc(Br)c21 ZINC000037543670 569199600 /nfs/dbraw/zinc/19/96/00/569199600.db2.gz ZMOCEARLMGWFCP-AWEZNQCLSA-N 0 0 449.370 4.431 50 0 IIAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547368 569200080 /nfs/dbraw/zinc/20/00/80/569200080.db2.gz OOOYMFVUSBGFEE-LJQANCHMSA-N 0 0 441.478 4.479 50 0 IIAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037547367 569200109 /nfs/dbraw/zinc/20/01/09/569200109.db2.gz OOOYMFVUSBGFEE-IBGZPJMESA-N 0 0 441.478 4.479 50 0 IIAARN Cc1cccc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000037559702 569200970 /nfs/dbraw/zinc/20/09/70/569200970.db2.gz MHGXFKJKVGIUGO-UHFFFAOYSA-N 0 0 430.552 4.485 50 0 IIAARN COc1ccccc1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037579352 569201670 /nfs/dbraw/zinc/20/16/70/569201670.db2.gz KUMFKJCEYVHYKE-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN CC(C)CN(C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 ZINC000037609339 569202943 /nfs/dbraw/zinc/20/29/43/569202943.db2.gz MNBAFPRVKJLOAF-OAQYLSRUSA-N 0 0 432.923 4.119 50 0 IIAARN O=c1nc2nc(SCc3ccc(Cl)cc3)[nH]cc-2c(=O)n1-c1cccc(Cl)c1 ZINC000002223655 569204673 /nfs/dbraw/zinc/20/46/73/569204673.db2.gz YPQLQVQSCMNFPZ-UHFFFAOYSA-N 0 0 431.304 4.068 50 0 IIAARN COc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c(OC)c1 ZINC000002245765 569214345 /nfs/dbraw/zinc/21/43/45/569214345.db2.gz SWTMLXKDJHCZQA-UHFFFAOYSA-N 0 0 434.496 4.376 50 0 IIAARN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000027490424 569215738 /nfs/dbraw/zinc/21/57/38/569215738.db2.gz YKVHEIITGHVBNX-UHFFFAOYSA-N 0 0 443.750 4.422 50 0 IIAARN CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)NCCc3ccccc3)c2CO1 ZINC000002256577 569217024 /nfs/dbraw/zinc/21/70/24/569217024.db2.gz SDPCOQLKVIAKEB-UHFFFAOYSA-N 0 0 433.577 4.446 50 0 IIAARN O=C(Nc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000001075376 569256492 /nfs/dbraw/zinc/25/64/92/569256492.db2.gz KPSJMQHSCFEZSB-ZNXRSXASSA-N 0 0 436.552 4.354 50 0 IIAARN O=C(C=Cc1ccc(Br)cc1)Nn1c(=O)c2ccccc2nc1-c1ccncc1 ZINC000027531002 569265598 /nfs/dbraw/zinc/26/55/98/569265598.db2.gz COLPTRUSNCHPSQ-JXMROGBWSA-N 0 0 447.292 4.005 50 0 IIAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)cc2O1 ZINC000253413143 569266056 /nfs/dbraw/zinc/26/60/56/569266056.db2.gz TXPSMVHSAJQDJG-SFHVURJKSA-N 0 0 449.507 4.145 50 0 biogenic IIAARN O=C(CCSCc1ccccn1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000253429791 569267537 /nfs/dbraw/zinc/26/75/37/569267537.db2.gz DGSFOUSLLOJLPW-GOSISDBHSA-N 0 0 446.922 4.353 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000027536000 569267750 /nfs/dbraw/zinc/26/77/50/569267750.db2.gz QWLIWAPXTWFPTA-AWEZNQCLSA-N 0 0 439.865 4.144 50 0 IIAARN CCOC(=O)COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 ZINC000253433336 569269460 /nfs/dbraw/zinc/26/94/60/569269460.db2.gz VVQMYMCDKCWRTJ-HXUWFJFHSA-N 0 0 445.313 4.089 50 0 IIAARN O=C(c1ccccc1)[C@@H]1ON=C(c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000002335304 569274819 /nfs/dbraw/zinc/27/48/19/569274819.db2.gz ZZXZHJGRSYPFRY-JTHBVZDNSA-N 0 0 447.288 4.325 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC(c2noc(-c3cc(-c4cccs4)[nH]n3)n2)CC1 ZINC000253471938 569282683 /nfs/dbraw/zinc/28/26/83/569282683.db2.gz GRMDPZNLTMQLIM-UHFFFAOYSA-N 0 0 437.500 4.276 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)c1 ZINC000002358748 569286032 /nfs/dbraw/zinc/28/60/32/569286032.db2.gz PNMBRCFCXDVSDS-UHFFFAOYSA-N 0 0 440.550 4.311 50 0 IIAARN COc1cn(CC(=O)NCC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c(C)cc1=O ZINC000253412609 569289014 /nfs/dbraw/zinc/28/90/14/569289014.db2.gz RNAZEEXMGAFULA-NRFANRHFSA-N 0 0 442.918 4.296 50 0 IIAARN COc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000008749460 569290292 /nfs/dbraw/zinc/29/02/92/569290292.db2.gz OJBVCNFRMMRLEI-FMIVXFBMSA-N 0 0 428.554 4.139 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002423840 569302327 /nfs/dbraw/zinc/30/23/27/569302327.db2.gz KJUYYLXQYBTGDG-QFIPXVFZSA-N 0 0 449.503 4.248 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000012980888 569305802 /nfs/dbraw/zinc/30/58/02/569305802.db2.gz RTJKFHVZWGDBCM-UHFFFAOYSA-N 0 0 426.513 4.313 50 0 IIAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nn2)c(C)c1C ZINC000013009783 569306627 /nfs/dbraw/zinc/30/66/27/569306627.db2.gz KUXJGHFDQRSLHW-UHFFFAOYSA-N 0 0 442.479 4.312 50 0 IIAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(F)c1 ZINC000013010791 569306883 /nfs/dbraw/zinc/30/68/83/569306883.db2.gz LWHUCQMPLPYYSZ-UHFFFAOYSA-N 0 0 433.405 4.488 50 0 IIAARN C/C=C/c1ccc(OCC(=O)OCc2nc3ccccc3c(C)c2C(=O)OC)c(OC)c1 ZINC000013017618 569307237 /nfs/dbraw/zinc/30/72/37/569307237.db2.gz XZQLCHUZAGCZFQ-VMPITWQZSA-N 0 0 435.476 4.494 50 0 IIAARN Cc1c(Cl)cnc(NC(=O)COC(=O)CSc2ccc3c(c2)CCC3)c1Cl ZINC000013029091 569307348 /nfs/dbraw/zinc/30/73/48/569307348.db2.gz UGLMMPGZNNLPGR-UHFFFAOYSA-N 0 0 425.337 4.460 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000013113192 569310689 /nfs/dbraw/zinc/31/06/89/569310689.db2.gz PQRHSIDQOGVCSC-LJQANCHMSA-N 0 0 449.561 4.395 50 0 IIAARN COCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000013114936 569310797 /nfs/dbraw/zinc/31/07/97/569310797.db2.gz DDNYRVQFRRHMPW-IRXDYDNUSA-N 0 0 442.560 4.397 50 0 IIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013117830 569310963 /nfs/dbraw/zinc/31/09/63/569310963.db2.gz IJFUHJXPBRYFGI-UHFFFAOYSA-N 0 0 441.597 4.494 50 0 IIAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000013117750 569311014 /nfs/dbraw/zinc/31/10/14/569311014.db2.gz CFIMWOGILZGPME-CYBMUJFWSA-N 0 0 432.343 4.410 50 0 IIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000013354160 569313393 /nfs/dbraw/zinc/31/33/93/569313393.db2.gz WZAOLKQRANLQFZ-UHFFFAOYSA-N 0 0 429.542 4.179 50 0 IIAARN O=C(CCC1CCCC1)N1CSC[C@@H]1C(=O)NCc1csc(-c2cccs2)n1 ZINC000013354837 569313441 /nfs/dbraw/zinc/31/34/41/569313441.db2.gz ZLGKTDIGNCDQSA-MRXNPFEDSA-N 0 0 435.640 4.360 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000013354932 569313546 /nfs/dbraw/zinc/31/35/46/569313546.db2.gz SKELVLLTLPIALE-QGZVFWFLSA-N 0 0 443.619 4.320 50 0 IIAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000013359754 569313918 /nfs/dbraw/zinc/31/39/18/569313918.db2.gz RUPKEORDPDYRQA-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)c1 ZINC000013368303 569314621 /nfs/dbraw/zinc/31/46/21/569314621.db2.gz WPAATTQNHUCPMS-UHFFFAOYSA-N 0 0 432.505 4.168 50 0 IIAARN O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000013370328 569314956 /nfs/dbraw/zinc/31/49/56/569314956.db2.gz XUDJOOABUKZYTR-UHFFFAOYSA-N 0 0 427.570 4.458 50 0 IIAARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000328591587 569317085 /nfs/dbraw/zinc/31/70/85/569317085.db2.gz ZLKGPEYBIRIWEP-CQSZACIVSA-N 0 0 437.935 4.122 50 0 IIAARN Cc1sc(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nc1-c1ccccc1 ZINC000078993791 569321622 /nfs/dbraw/zinc/32/16/22/569321622.db2.gz VOAQJAXEGJNIEZ-IBGZPJMESA-N 0 0 439.968 4.484 50 0 IIAARN Cc1nnnn1-c1cc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)ccc1F ZINC000079021163 569322383 /nfs/dbraw/zinc/32/23/83/569322383.db2.gz GLNGNWBRHBTCHH-IBGZPJMESA-N 0 0 446.490 4.177 50 0 IIAARN c1nn(CCSc2nc(CN3CCOCC3)nc3ccccc32)cc1-c1ccccc1 ZINC000079024330 569322718 /nfs/dbraw/zinc/32/27/18/569322718.db2.gz IUPWXGITPILKKC-UHFFFAOYSA-N 0 0 431.565 4.118 50 0 IIAARN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000079056380 569323675 /nfs/dbraw/zinc/32/36/75/569323675.db2.gz AOASXNUPTNFZAC-IBGZPJMESA-N 0 0 434.486 4.453 50 0 IIAARN CC(C)(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019637825 569324431 /nfs/dbraw/zinc/32/44/31/569324431.db2.gz NMMIRBBBJNSWAS-UHFFFAOYSA-N 0 0 443.396 4.142 50 0 IIAARN Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c(C)nc2ncnn2c1C)c1ccccc1 ZINC000079070808 569324517 /nfs/dbraw/zinc/32/45/17/569324517.db2.gz SXEZGCZSFHRBKN-HSZRJFAPSA-N 0 0 443.551 4.227 50 0 IIAARN COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 ZINC000019644691 569325157 /nfs/dbraw/zinc/32/51/57/569325157.db2.gz KXKKFFLNYYEDBJ-JOCHJYFZSA-N 0 0 446.528 4.301 50 0 IIAARN COC(=O)C(C)(C)C(C)(C)NC(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000079095786 569325409 /nfs/dbraw/zinc/32/54/09/569325409.db2.gz IMQNYXPJHLIOPZ-UHFFFAOYSA-N 0 0 428.529 4.382 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC000079102613 569325492 /nfs/dbraw/zinc/32/54/92/569325492.db2.gz RZRPPIPUVMDAEW-UYAOXDASSA-N 0 0 426.561 4.255 50 0 IIAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3nnc(C(F)F)n3c2)c1 ZINC000079106050 569325875 /nfs/dbraw/zinc/32/58/75/569325875.db2.gz UNNORGSMNKRBPQ-UHFFFAOYSA-N 0 0 437.406 4.180 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000002463520 569331785 /nfs/dbraw/zinc/33/17/85/569331785.db2.gz ULMABHGVXWZYMF-HKUYNNGSSA-N 0 0 430.570 4.212 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000020116119 569335098 /nfs/dbraw/zinc/33/50/98/569335098.db2.gz PGVHKXRAXCYKQK-VXTNBSNFSA-N 0 0 438.612 4.204 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(O)cc3)on2)c(C(=O)OCC)c1C ZINC000020137461 569335910 /nfs/dbraw/zinc/33/59/10/569335910.db2.gz RGVPJOOGKNAYQG-UHFFFAOYSA-N 0 0 444.465 4.023 50 0 IIAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020152477 569353402 /nfs/dbraw/zinc/35/34/02/569353402.db2.gz IBBRZQKLSSKKBT-PXZOFWEESA-N 0 0 436.552 4.342 50 0 IIAARN Cc1cc(OC2CN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)cc(=O)n1C1CC1 ZINC000390826013 569353766 /nfs/dbraw/zinc/35/37/66/569353766.db2.gz ZGSTVDJGCSGGGV-UHFFFAOYSA-N 0 0 434.467 4.326 50 0 IIAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831107 569354296 /nfs/dbraw/zinc/35/42/96/569354296.db2.gz PQWSITBUUDFEJT-QHCPKHFHSA-N 0 0 437.536 4.346 50 0 IIAARN COCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000020179337 569354796 /nfs/dbraw/zinc/35/47/96/569354796.db2.gz YRDAECCMPACEDA-JLPGSUDCSA-N 0 0 446.478 4.169 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000020213437 569356355 /nfs/dbraw/zinc/35/63/55/569356355.db2.gz QRHHWWRUIYVQGX-UHFFFAOYSA-N 0 0 431.536 4.137 50 0 IIAARN CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000020242367 569358199 /nfs/dbraw/zinc/35/81/99/569358199.db2.gz JNJNKZYTJZJGFQ-WJOKGBTCSA-N 0 0 436.508 4.293 50 0 IIAARN Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C[S@]3=O)c(C)c1 ZINC000020243350 569358311 /nfs/dbraw/zinc/35/83/11/569358311.db2.gz MVLMGSFBDYVEJC-HKBQPEDESA-N 0 0 436.508 4.349 50 0 IIAARN CC1=C(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C2(CCC(C)CC2)OC1=O ZINC000020279326 569358657 /nfs/dbraw/zinc/35/86/57/569358657.db2.gz UUDUVXDJOMUFQJ-UHFFFAOYSA-N 0 0 436.474 4.176 50 0 biogenic IIAARN CCOC(=O)C1CCN(c2c3cc(C)ccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020380822 569362501 /nfs/dbraw/zinc/36/25/01/569362501.db2.gz BLMQQUVTPWZQPE-UHFFFAOYSA-N 0 0 438.549 4.156 50 0 IIAARN CC[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416818 569364528 /nfs/dbraw/zinc/36/45/28/569364528.db2.gz BVJJNFMNCIKFQO-VQPSCFOCSA-N 0 0 436.556 4.223 50 0 IIAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000020416959 569364782 /nfs/dbraw/zinc/36/47/82/569364782.db2.gz SDHPNPCRTPBEEN-HXUWFJFHSA-N 0 0 444.491 4.123 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417450 569364952 /nfs/dbraw/zinc/36/49/52/569364952.db2.gz CGCWRXVDCDYUQI-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)Nc2ccccc2)c1C ZINC000020437202 569365603 /nfs/dbraw/zinc/36/56/03/569365603.db2.gz RMBRVGVUYAUEBC-UHFFFAOYSA-N 0 0 430.508 4.071 50 0 IIAARN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000095434411 569366451 /nfs/dbraw/zinc/36/64/51/569366451.db2.gz OCBWUZFHKJNOAE-HNNXBMFYSA-N 0 0 433.961 4.477 50 0 IIAARN CCOc1ccc(OCCCC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1 ZINC000095441490 569366679 /nfs/dbraw/zinc/36/66/79/569366679.db2.gz OBRQODBGWSNAMG-RXVVDRJESA-N 0 0 434.577 4.396 50 0 IIAARN O=C(N[C@@H](CCCO)c1ccccc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095445701 569367385 /nfs/dbraw/zinc/36/73/85/569367385.db2.gz HOMIOULBUQYFAD-VWLOTQADSA-N 0 0 430.548 4.322 50 0 IIAARN Cn1ccnc1-c1cccc(NC(=O)NC(C)(C)COc2ncccc2Br)c1 ZINC000095456151 569368826 /nfs/dbraw/zinc/36/88/26/569368826.db2.gz UISVDTQWCASPAN-UHFFFAOYSA-N 0 0 444.333 4.224 50 0 IIAARN C[C@H]1C[C@H](CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1 ZINC000095458064 569369086 /nfs/dbraw/zinc/36/90/86/569369086.db2.gz PMNKIGXCZSYXRW-ZWKOTPCHSA-N 0 0 430.508 4.285 50 0 IIAARN COc1cccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000095945527 569375898 /nfs/dbraw/zinc/37/58/98/569375898.db2.gz CPQVUOKBESRFIT-XMMPIXPASA-N 0 0 425.488 4.342 50 0 IIAARN Cc1nccn1Cc1cccc(CNC(=O)Cn2c3ccccc3nc2SC(F)F)c1 ZINC000095948746 569376532 /nfs/dbraw/zinc/37/65/32/569376532.db2.gz XRLDAQCTPZTDOL-UHFFFAOYSA-N 0 0 441.507 4.221 50 0 IIAARN CC[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095972114 569377535 /nfs/dbraw/zinc/37/75/35/569377535.db2.gz TVKNMYUNSXBAHY-VQIMIIECSA-N 0 0 443.849 4.301 50 0 IIAARN COc1csc(C(=O)N(C[C@@H]2CCCN(C(=O)c3cc(OC)cs3)C2)C(C)C)c1 ZINC000095979878 569377806 /nfs/dbraw/zinc/37/78/06/569377806.db2.gz JQIHVGZPFAYPFT-OAHLLOKOSA-N 0 0 436.599 4.230 50 0 IIAARN Cc1nc(-c2cc3c(s2)CCN(C(=O)CCNC(=O)NC2CCCCC2)C3)cs1 ZINC000095983672 569378047 /nfs/dbraw/zinc/37/80/47/569378047.db2.gz YICBWAGVFXNWBY-UHFFFAOYSA-N 0 0 432.615 4.087 50 0 IIAARN CCc1cc(NC(=O)[C@@H](C)OCC2CC2)c2cc(NC(=O)[C@H](C)OCC3CC3)ccc2n1 ZINC000095997603 569378955 /nfs/dbraw/zinc/37/89/55/569378955.db2.gz MAGUFTHQZGKGTF-JKSUJKDBSA-N 0 0 439.556 4.304 50 0 IIAARN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000096008962 569379596 /nfs/dbraw/zinc/37/95/96/569379596.db2.gz UWENTFIRYJVUDO-UHFFFAOYSA-N 0 0 425.407 4.199 50 0 IIAARN FC(F)(F)c1cccc([C@H](Nc2ncnc3c2cnn3-c2ccccc2)c2nc[nH]n2)c1 ZINC000096011399 569379695 /nfs/dbraw/zinc/37/96/95/569379695.db2.gz WKJGOHRKLIKJFV-KRWDZBQOSA-N 0 0 436.401 4.154 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2cccc(F)c2)C1 ZINC000096012488 569380062 /nfs/dbraw/zinc/38/00/62/569380062.db2.gz OVEKLDBQNSKECO-IBGZPJMESA-N 0 0 443.525 4.250 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096098315 569381501 /nfs/dbraw/zinc/38/15/01/569381501.db2.gz SZXSUCRAURBCNM-GOSISDBHSA-N 0 0 433.529 4.389 50 0 IIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099461 569381541 /nfs/dbraw/zinc/38/15/41/569381541.db2.gz KHHWPDHNHAATNZ-UHFFFAOYSA-N 0 0 437.536 4.423 50 0 IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1O ZINC000096115074 569383198 /nfs/dbraw/zinc/38/31/98/569383198.db2.gz AJXOPYVJUDSEDS-REWPJTCUSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000096119680 569384784 /nfs/dbraw/zinc/38/47/84/569384784.db2.gz BGKWSEJOEVLEPH-INIZCTEOSA-N 0 0 446.438 4.051 50 0 IIAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000096120416 569384900 /nfs/dbraw/zinc/38/49/00/569384900.db2.gz GCSBCSAXQQRSAU-CSKARUKUSA-N 0 0 434.458 4.299 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(Cc3cccs3)CC2)cc1 ZINC000096124607 569385548 /nfs/dbraw/zinc/38/55/48/569385548.db2.gz VCYAKDZDXHCJCR-UHFFFAOYSA-N 0 0 441.622 4.169 50 0 IIAARN COc1ccc(C2(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)CCOCC2)cc1 ZINC000096230687 569387467 /nfs/dbraw/zinc/38/74/67/569387467.db2.gz LDBSYSGGCYGWEH-NRFANRHFSA-N 0 0 439.581 4.230 50 0 IIAARN O=C(CN1CCN(c2ccccc2)CC1)N[C@@H]1Cc2ccccc2Sc2ccccc21 ZINC000096235452 569387863 /nfs/dbraw/zinc/38/78/63/569387863.db2.gz KMHQMICCFBRBTG-HSZRJFAPSA-N 0 0 429.589 4.373 50 0 IIAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCCN1CCOCC1 ZINC000096278908 569389230 /nfs/dbraw/zinc/38/92/30/569389230.db2.gz CBHBHIDRBGPFQU-FQEVSTJZSA-N 0 0 445.485 4.157 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@H]1c1cccc(F)c1 ZINC000096281157 569389790 /nfs/dbraw/zinc/38/97/90/569389790.db2.gz NMRSTFDTOKKFJS-LADGPHEKSA-N 0 0 426.532 4.392 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC2CC2)C(=O)NC(C)(C)C)cc1 ZINC000096288742 569390558 /nfs/dbraw/zinc/39/05/58/569390558.db2.gz ZAXURMSJNVJUFR-UHFFFAOYSA-N 0 0 446.569 4.183 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC2CC2)C(=O)CC(C)C)cc1 ZINC000096288762 569390574 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O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1F ZINC000057487370 569436717 /nfs/dbraw/zinc/43/67/17/569436717.db2.gz XCTOPISZJZGBPX-UHFFFAOYSA-N 0 0 443.500 4.134 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)c1 ZINC000057487467 569436721 /nfs/dbraw/zinc/43/67/21/569436721.db2.gz UYNZENGLMVLSJF-UHFFFAOYSA-N 0 0 433.558 4.437 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000057487415 569436739 /nfs/dbraw/zinc/43/67/39/569436739.db2.gz CUFZYTNTWHDGDA-UHFFFAOYSA-N 0 0 437.546 4.495 50 0 IIAARN COc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000057487638 569436837 /nfs/dbraw/zinc/43/68/37/569436837.db2.gz XIBFVFSUAOMORH-UHFFFAOYSA-N 0 0 441.509 4.326 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)no1 ZINC000057488187 569436875 /nfs/dbraw/zinc/43/68/75/569436875.db2.gz MBICTZMANKTTSA-UHFFFAOYSA-N 0 0 426.523 4.091 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)cc1Cl ZINC000057489623 569437063 /nfs/dbraw/zinc/43/70/63/569437063.db2.gz SJVHUIDIRZBHHU-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)c1 ZINC000057490079 569437151 /nfs/dbraw/zinc/43/71/51/569437151.db2.gz LMEUTEGWKOINJE-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)cc3C)c2=O)c(C)c1 ZINC000057492977 569437524 /nfs/dbraw/zinc/43/75/24/569437524.db2.gz GGPTVOUVTVVBQN-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 ZINC000003030448 569437560 /nfs/dbraw/zinc/43/75/60/569437560.db2.gz DPROSMKWGMTGPM-UHFFFAOYSA-N 0 0 449.370 4.025 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1OC ZINC000003037672 569437996 /nfs/dbraw/zinc/43/79/96/569437996.db2.gz JXHLZXIWCHFSCR-JOCHJYFZSA-N 0 0 428.554 4.010 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2cc(Cl)c(=O)n(Cc3cccc(Cl)c3)c2)cc1 ZINC000003041789 569438471 /nfs/dbraw/zinc/43/84/71/569438471.db2.gz HUZFTCZFSFOVNV-UHFFFAOYSA-N 0 0 431.275 4.242 50 0 IIAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1OC ZINC000003049376 569438941 /nfs/dbraw/zinc/43/89/41/569438941.db2.gz QRPUVJPAXWHYIU-AVRWGWEMSA-N 0 0 444.531 4.321 50 0 IIAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000230133048 569439113 /nfs/dbraw/zinc/43/91/13/569439113.db2.gz ABNOOAPVXJEJHK-VSKRKVRLSA-N 0 0 426.944 4.371 50 0 IIAARN CCCOC(=O)c1ccc(Oc2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 ZINC000003100839 569440222 /nfs/dbraw/zinc/44/02/22/569440222.db2.gz WYTPHVVRLVDSIY-UHFFFAOYSA-N 0 0 440.404 4.003 50 0 biogenic IIAARN COc1ccccc1N1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000057617282 569440309 /nfs/dbraw/zinc/44/03/09/569440309.db2.gz NMUIFXFIOQCHLU-NRFANRHFSA-N 0 0 429.564 4.112 50 0 IIAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000003109762 569440314 /nfs/dbraw/zinc/44/03/14/569440314.db2.gz MWOLKRRMTILDRD-UHFFFAOYSA-N 0 0 439.320 4.318 50 0 IIAARN C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000030145446 569440888 /nfs/dbraw/zinc/44/08/88/569440888.db2.gz DUOUAQWHWWFUKY-LLVKDONJSA-N 0 0 430.719 4.025 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000003154833 569440963 /nfs/dbraw/zinc/44/09/63/569440963.db2.gz MKXCQTGUBRMWDK-ZQFKLAOWSA-N 0 0 427.887 4.480 50 0 IIAARN O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000057756349 569441317 /nfs/dbraw/zinc/44/13/17/569441317.db2.gz SEBFCIGRPIPLKN-UHFFFAOYSA-N 0 0 425.548 4.015 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000003188985 569441416 /nfs/dbraw/zinc/44/14/16/569441416.db2.gz MGTVHKJHRLBYBJ-CPUCHLNUSA-N 0 0 433.213 4.097 50 0 IIAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)no1 ZINC000003214500 569441793 /nfs/dbraw/zinc/44/17/93/569441793.db2.gz SVFZHWYROWFDMM-UHFFFAOYSA-N 0 0 425.388 4.055 50 0 IIAARN COc1cc(CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000003225755 569442109 /nfs/dbraw/zinc/44/21/09/569442109.db2.gz 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ZINC000003270072 569443539 /nfs/dbraw/zinc/44/35/39/569443539.db2.gz SJIIAAXQWNZOLJ-UHFFFAOYSA-N 0 0 443.411 4.497 50 0 IIAARN Cc1cc(OCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1Cl ZINC000003271704 569443578 /nfs/dbraw/zinc/44/35/78/569443578.db2.gz DWEAOPOBXBDDBM-UHFFFAOYSA-N 0 0 437.201 4.276 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(-c2nn3cc(-c4ccc(F)cc4)c4c3n2CCCC4)c1 ZINC000003282549 569443942 /nfs/dbraw/zinc/44/39/42/569443942.db2.gz FXWNSHGDLZLROW-UHFFFAOYSA-N 0 0 438.528 4.196 50 0 IIAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(I)cc1 ZINC000003291715 569444436 /nfs/dbraw/zinc/44/44/36/569444436.db2.gz WOLBHAJPPYUDPW-UHFFFAOYSA-N 0 0 449.166 4.106 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 ZINC000003307321 569445288 /nfs/dbraw/zinc/44/52/88/569445288.db2.gz KOOBZVIGUZZTLJ-UHFFFAOYSA-N 0 0 443.506 4.166 50 0 IIAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1 ZINC000058021487 569445423 /nfs/dbraw/zinc/44/54/23/569445423.db2.gz GEMKHRNAKURARR-UHFFFAOYSA-N 0 0 437.769 4.046 50 0 IIAARN Cc1sc2[nH]c(COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)nc(=O)c2c1C ZINC000003311925 569445530 /nfs/dbraw/zinc/44/55/30/569445530.db2.gz ZZFIGGXRPYQAML-UHFFFAOYSA-N 0 0 432.501 4.498 50 0 IIAARN O=C(COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)N1CCc2ccccc21 ZINC000003311896 569445551 /nfs/dbraw/zinc/44/55/51/569445551.db2.gz LBOUYKKTYYMZBM-UHFFFAOYSA-N 0 0 440.908 4.400 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)cc1 ZINC000003315112 569445653 /nfs/dbraw/zinc/44/56/53/569445653.db2.gz ZLCIRWKHUUUQAJ-SFHVURJKSA-N 0 0 427.526 4.318 50 0 IIAARN Cc1cc(C)n2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc2n1 ZINC000003316029 569445730 /nfs/dbraw/zinc/44/57/30/569445730.db2.gz UMILMKVEAZTSHI-MRXNPFEDSA-N 0 0 426.571 4.137 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NCC(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000003318880 569445867 /nfs/dbraw/zinc/44/58/67/569445867.db2.gz YIFXUASGTGGFEA-UHFFFAOYSA-N 0 0 427.595 4.109 50 0 IIAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 ZINC000003318953 569445874 /nfs/dbraw/zinc/44/58/74/569445874.db2.gz OOAWQPIXISWSEP-UHFFFAOYSA-N 0 0 437.565 4.319 50 0 IIAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)NCc1ccco1 ZINC000003323765 569446069 /nfs/dbraw/zinc/44/60/69/569446069.db2.gz FYFZPEWECITMPW-UHFFFAOYSA-N 0 0 438.578 4.175 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)cc1 ZINC000003329168 569446360 /nfs/dbraw/zinc/44/63/60/569446360.db2.gz IHNWMWKKJXNFDE-UHFFFAOYSA-N 0 0 428.539 4.058 50 0 IIAARN COc1ccccc1NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000003329929 569446381 /nfs/dbraw/zinc/44/63/81/569446381.db2.gz XSEONXOPSPCOFB-UHFFFAOYSA-N 0 0 435.505 4.259 50 0 IIAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003334544 569446586 /nfs/dbraw/zinc/44/65/86/569446586.db2.gz AQDNOHACVCPZFN-OAQYLSRUSA-N 0 0 432.973 4.322 50 0 IIAARN CCOC(=O)Nc1ccc2c(COc3ncnc4sc5c(c43)CCC5)cc(=O)oc2c1 ZINC000003334757 569446602 /nfs/dbraw/zinc/44/66/02/569446602.db2.gz KNNPVCGBLXTXBK-UHFFFAOYSA-N 0 0 437.477 4.434 50 0 IIAARN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003357104 569447714 /nfs/dbraw/zinc/44/77/14/569447714.db2.gz VHFMOWOYMAMTLG-SECBINFHSA-N 0 0 441.258 4.318 50 0 IIAARN COc1ccc(C)cc1N(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1 ZINC000003360292 569447828 /nfs/dbraw/zinc/44/78/28/569447828.db2.gz QSXPSDKGTFWJKA-UHFFFAOYSA-N 0 0 430.493 4.338 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000003371147 569448530 /nfs/dbraw/zinc/44/85/30/569448530.db2.gz NABRRGWETDLOPZ-SNVBAGLBSA-N 0 0 428.268 4.203 50 0 IIAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003394540 569449377 /nfs/dbraw/zinc/44/93/77/569449377.db2.gz TVCWHVBFHXUYOF-UHFFFAOYSA-N 0 0 437.931 4.084 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 ZINC000003406352 569449923 /nfs/dbraw/zinc/44/99/23/569449923.db2.gz SRJLFVBTLMAUAU-HXUWFJFHSA-N 0 0 431.521 4.416 50 0 IIAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 ZINC000003411679 569450082 /nfs/dbraw/zinc/45/00/82/569450082.db2.gz YVJAWLSAUAQSDZ-UHFFFAOYSA-N 0 0 448.548 4.312 50 0 IIAARN CCc1cccc(CC)c1-n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1 ZINC000003428267 569450655 /nfs/dbraw/zinc/45/06/55/569450655.db2.gz CNPRXEHPZNVRBS-UHFFFAOYSA-N 0 0 448.552 4.481 50 0 IIAARN CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)NCC(F)(F)F ZINC000003433297 569450884 /nfs/dbraw/zinc/45/08/84/569450884.db2.gz CHQWVUDIQRDUPV-UHFFFAOYSA-N 0 0 440.443 4.155 50 0 IIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003445293 569451360 /nfs/dbraw/zinc/45/13/60/569451360.db2.gz KXQOBLVPJRKBGA-INIZCTEOSA-N 0 0 431.517 4.108 50 0 IIAARN C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003452638 569451692 /nfs/dbraw/zinc/45/16/92/569451692.db2.gz ZVLRVKKSKJGSQC-SFHVURJKSA-N 0 0 430.508 4.047 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003459318 569451897 /nfs/dbraw/zinc/45/18/97/569451897.db2.gz ONDWEKIHTDOXOE-UHFFFAOYSA-N 0 0 425.554 4.304 50 0 IIAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 ZINC000003469751 569452025 /nfs/dbraw/zinc/45/20/25/569452025.db2.gz BJIANHSKIWWABC-UHFFFAOYSA-N 0 0 441.582 4.088 50 0 IIAARN O=C(Nc1ccc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1)c1ccco1 ZINC000030983773 569452054 /nfs/dbraw/zinc/45/20/54/569452054.db2.gz XRPKBLNREGDDSK-FQEVSTJZSA-N 0 0 447.491 4.350 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3C2=O)c1 ZINC000003471925 569452135 /nfs/dbraw/zinc/45/21/35/569452135.db2.gz OCRQUZNLHOKGDS-ROUUACIJSA-N 0 0 448.519 4.050 50 0 IIAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc(Br)c1 ZINC000003483621 569452381 /nfs/dbraw/zinc/45/23/81/569452381.db2.gz DRSNAJCEHGVKPX-UHFFFAOYSA-N 0 0 443.253 4.090 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(Br)c1 ZINC000003493371 569452621 /nfs/dbraw/zinc/45/26/21/569452621.db2.gz AEKIBOKMPMVRNK-UHFFFAOYSA-N 0 0 438.738 4.117 50 0 IIAARN O=C(OCc1cc(=O)n2ccsc2n1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003543128 569453657 /nfs/dbraw/zinc/45/36/57/569453657.db2.gz KIFHDJOFOYSXQO-UHFFFAOYSA-N 0 0 434.502 4.027 50 0 IIAARN C[C@@H](c1nnc(SCC(=O)N(C)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000003552135 569453822 /nfs/dbraw/zinc/45/38/22/569453822.db2.gz SEHRSNDWAORQJN-HNNXBMFYSA-N 0 0 429.977 4.298 50 0 IIAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000031177688 569454430 /nfs/dbraw/zinc/45/44/30/569454430.db2.gz FBVFBBLWVIWNOP-OFVILXPXSA-N 0 0 446.522 4.431 50 0 IIAARN O=C(CN1CCC(C(=O)NCc2ccco2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000058434469 569454739 /nfs/dbraw/zinc/45/47/39/569454739.db2.gz UJZFEXUKFSQZHE-UHFFFAOYSA-N 0 0 449.576 4.398 50 0 IIAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003606391 569454928 /nfs/dbraw/zinc/45/49/28/569454928.db2.gz DDMPZPWDQFXREF-UHFFFAOYSA-N 0 0 437.912 4.484 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003607243 569454937 /nfs/dbraw/zinc/45/49/37/569454937.db2.gz NREGWCUSGBJYFR-UHFFFAOYSA-N 0 0 434.477 4.046 50 0 IIAARN COc1ccc(NC(=O)[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 ZINC000003615134 569455050 /nfs/dbraw/zinc/45/50/50/569455050.db2.gz AWYGCPCLFDKOMY-RUZDIDTESA-N 0 0 443.503 4.224 50 0 biogenic IIAARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)CCCCC1 ZINC000003625552 569455176 /nfs/dbraw/zinc/45/51/76/569455176.db2.gz XBXBNMSFJYAJRS-HXUWFJFHSA-N 0 0 441.616 4.440 50 0 IIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3[nH]c2=S)cc1 ZINC000003632350 569455455 /nfs/dbraw/zinc/45/54/55/569455455.db2.gz QFHMKSXZPIUMPR-UHFFFAOYSA-N 0 0 443.528 4.424 50 0 IIAARN Cc1c(NC(=O)[C@H](C)OCC(F)(F)F)cccc1C(=O)N1CCc2sccc2C1 ZINC000031728388 569457088 /nfs/dbraw/zinc/45/70/88/569457088.db2.gz AZTIAPIREXHXQQ-ZDUSSCGKSA-N 0 0 426.460 4.161 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=NNC(N)=S)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 ZINC000004064810 569458570 /nfs/dbraw/zinc/45/85/70/569458570.db2.gz SERMPXSEVYHFRL-MTTYLTCOSA-N 0 0 425.598 4.158 50 0 biogenic IIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032094934 569459836 /nfs/dbraw/zinc/45/98/36/569459836.db2.gz AZLAJRXFRHZTAT-UHFFFAOYSA-N 0 0 431.819 4.111 50 0 IIAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)Nc4c3cccc4C)sc2c1 ZINC000032095053 569459862 /nfs/dbraw/zinc/45/98/62/569459862.db2.gz WTBPIONAPZAICQ-JOCHJYFZSA-N 0 0 431.477 4.029 50 0 IIAARN CN1c2cccc(Cl)c2[C@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032101170 569460092 /nfs/dbraw/zinc/46/00/92/569460092.db2.gz OJCPKXOPQTYORM-OAQYLSRUSA-N 0 0 427.291 4.492 50 0 IIAARN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000032101866 569460126 /nfs/dbraw/zinc/46/01/26/569460126.db2.gz PEPKVVAEUXLYBZ-UHFFFAOYSA-N 0 0 431.883 4.011 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1Cl ZINC000004145677 569460422 /nfs/dbraw/zinc/46/04/22/569460422.db2.gz PNMULIHBIBYJFP-INIZCTEOSA-N 0 0 442.972 4.283 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000032243787 569460950 /nfs/dbraw/zinc/46/09/50/569460950.db2.gz YCYIWYPSFSITFP-WANOEJIPSA-N 0 0 427.548 4.420 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N(Cc1ccc(F)cc1)C1CC1 ZINC000032414786 569461556 /nfs/dbraw/zinc/46/15/56/569461556.db2.gz UGHDRHUMRJZKFP-HNNXBMFYSA-N 0 0 431.305 4.132 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCc3coc(-c4cccs4)n3)CCCC2)c1 ZINC000032471601 569461793 /nfs/dbraw/zinc/46/17/93/569461793.db2.gz MDMCMURMVOFCRV-UHFFFAOYSA-N 0 0 444.578 4.423 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)NCc1ccccc1Cl ZINC000038486982 569462833 /nfs/dbraw/zinc/46/28/33/569462833.db2.gz TYQOOMMYBNTANS-UHFFFAOYSA-N 0 0 448.939 4.106 50 0 IIAARN COc1ccc(-c2csc(CN3CCN(C(=O)/C=C/c4cccs4)CC3)n2)cc1 ZINC000038488185 569462970 /nfs/dbraw/zinc/46/29/70/569462970.db2.gz AOJZQRJWEBTALR-CMDGGOBGSA-N 0 0 425.579 4.238 50 0 IIAARN Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)c(Cl)c1 ZINC000067208466 569464705 /nfs/dbraw/zinc/46/47/05/569464705.db2.gz OOEODMBCDZZADF-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)c1C ZINC000067217088 569464922 /nfs/dbraw/zinc/46/49/22/569464922.db2.gz IOSQBKZVHDWPHF-UHFFFAOYSA-N 0 0 435.574 4.473 50 0 IIAARN O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000038632644 569465054 /nfs/dbraw/zinc/46/50/54/569465054.db2.gz SQVPMMJPRGJLAN-NRFANRHFSA-N 0 0 430.957 4.152 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4Cl)c3C)ns2)cc1 ZINC000067225361 569465171 /nfs/dbraw/zinc/46/51/71/569465171.db2.gz SZXGGGXLQBMBID-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000067236616 569465417 /nfs/dbraw/zinc/46/54/17/569465417.db2.gz ZLCHBXFNGALNCS-UHFFFAOYSA-N 0 0 434.521 4.152 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236911 569465462 /nfs/dbraw/zinc/46/54/62/569465462.db2.gz QYWINHSSCAIUOZ-UHFFFAOYSA-N 0 0 430.533 4.242 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000067236931 569465480 /nfs/dbraw/zinc/46/54/80/569465480.db2.gz UGKRIGJOQAMWHZ-MRXNPFEDSA-N 0 0 448.548 4.000 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067236940 569465496 /nfs/dbraw/zinc/46/54/96/569465496.db2.gz SLOILXRTLVNHQJ-UHFFFAOYSA-N 0 0 447.564 4.127 50 0 IIAARN Cc1cc2nc(SCC(=O)N(C)c3cccc(C)c3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237500 569465544 /nfs/dbraw/zinc/46/55/44/569465544.db2.gz DYAGYPIQLUQEBV-UHFFFAOYSA-N 0 0 436.512 4.225 50 0 IIAARN Cc1ccc(Sc2nccn3c2nn(CC(=O)Nc2ccc(C(C)C)cc2)c3=O)c(C)c1 ZINC000067255608 569466066 /nfs/dbraw/zinc/46/60/66/569466066.db2.gz SGUJPOURAOTBOJ-UHFFFAOYSA-N 0 0 447.564 4.421 50 0 IIAARN COc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1 ZINC000067260967 569466478 /nfs/dbraw/zinc/46/64/78/569466478.db2.gz XWTNNOLJAXZKTB-UHFFFAOYSA-N 0 0 444.535 4.002 50 0 IIAARN O=C(NCc1cc(F)cc(F)c1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261282 569466509 /nfs/dbraw/zinc/46/65/09/569466509.db2.gz WGUVGCUNNREXEZ-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN COc1cccc2cc(C(=O)Nc3ccc(N4CCCN(C(=O)C5CC5)CC4)cc3)oc21 ZINC000038679162 569466631 /nfs/dbraw/zinc/46/66/31/569466631.db2.gz RORXFLFJWFXJEL-UHFFFAOYSA-N 0 0 433.508 4.142 50 0 IIAARN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000067262387 569466666 /nfs/dbraw/zinc/46/66/66/569466666.db2.gz ZEIJZWHDCUIZEH-UHFFFAOYSA-N 0 0 442.494 4.008 50 0 IIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc(F)cc1F ZINC000038693456 569466751 /nfs/dbraw/zinc/46/67/51/569466751.db2.gz VWFCTXYARDGGFK-UHFFFAOYSA-N 0 0 446.450 4.498 50 0 IIAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCO5)nccn3n2)cc1 ZINC000067290478 569467554 /nfs/dbraw/zinc/46/75/54/569467554.db2.gz HBFLLGLWILMQDW-UHFFFAOYSA-N 0 0 448.504 4.255 50 0 IIAARN CCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293263 569467810 /nfs/dbraw/zinc/46/78/10/569467810.db2.gz OJKZYPHUQFBCAK-RWEWTDSWSA-N 0 0 429.432 4.195 50 0 IIAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)C1(c2ccccc2)CCOCC1 ZINC000038710445 569467876 /nfs/dbraw/zinc/46/78/76/569467876.db2.gz FVIYMWWFGKJBNC-UHFFFAOYSA-N 0 0 430.504 4.165 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038725736 569468299 /nfs/dbraw/zinc/46/82/99/569468299.db2.gz UUPKPADBFNQVHX-DHIUTWEWSA-N 0 0 428.532 4.327 50 0 IIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)Nc1cc(Cl)ccc1C ZINC000067323374 569468771 /nfs/dbraw/zinc/46/87/71/569468771.db2.gz AYOGWVRNHLKIJK-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[C@H](C)CC)cc1 ZINC000067335189 569468819 /nfs/dbraw/zinc/46/88/19/569468819.db2.gz AQBGPNYDVMEWKP-CYBMUJFWSA-N 0 0 445.566 4.337 50 0 IIAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2ncccn2)cc1OC ZINC000008705177 569470337 /nfs/dbraw/zinc/47/03/37/569470337.db2.gz ORZSJRBSRANSLZ-MRXNPFEDSA-N 0 0 440.550 4.025 50 0 IIAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)Nc3ccc4c(c3)CCC4)c2=O)cc1 ZINC000008708440 569470698 /nfs/dbraw/zinc/47/06/98/569470698.db2.gz FQUQLAZPFGXOOJ-UHFFFAOYSA-N 0 0 439.515 4.454 50 0 IIAARN Cc1cccn2cc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)nc12 ZINC000008718932 569471340 /nfs/dbraw/zinc/47/13/40/569471340.db2.gz DTLIPGDFTLEOOM-UHFFFAOYSA-N 0 0 425.444 4.109 50 0 IIAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3nnnn3-c3ccccc3)nc(=O)c12 ZINC000008719035 569471354 /nfs/dbraw/zinc/47/13/54/569471354.db2.gz SWGACGFNQNCQCQ-GFCCVEGCSA-N 0 0 426.571 4.150 50 0 IIAARN O=C(NCCc1ccc2c(c1)OCCO2)c1c2c(sc1-n1cccc1)CSCC2 ZINC000008724405 569472015 /nfs/dbraw/zinc/47/20/15/569472015.db2.gz FMBQKMYWKTVYAA-UHFFFAOYSA-N 0 0 426.563 4.072 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008725419 569472132 /nfs/dbraw/zinc/47/21/32/569472132.db2.gz IPKSLBZGKRVKME-INIZCTEOSA-N 0 0 431.414 4.190 50 0 IIAARN Cc1ccccc1-n1c(SCCCOc2ccc(F)cc2)nnc1N1CCOCC1 ZINC000008725804 569472215 /nfs/dbraw/zinc/47/22/15/569472215.db2.gz IRZXUGSWIUIQEV-UHFFFAOYSA-N 0 0 428.533 4.113 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000008735711 569472663 /nfs/dbraw/zinc/47/26/63/569472663.db2.gz TWGSIYSTRXVMNF-DEOSSOPVSA-N 0 0 434.561 4.366 50 0 IIAARN CCOc1ccc(OCCN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000008736220 569472701 /nfs/dbraw/zinc/47/27/01/569472701.db2.gz ZBOFORXMNWQKCI-AREMUKBSSA-N 0 0 430.504 4.154 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCCC1=CCCCC1 ZINC000008748539 569473234 /nfs/dbraw/zinc/47/32/34/569473234.db2.gz AZRJXBMWDRTPOL-HKUYNNGSSA-N 0 0 441.597 4.063 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000008752707 569473572 /nfs/dbraw/zinc/47/35/72/569473572.db2.gz ZPORFSSQJCXNAJ-UHFFFAOYSA-N 0 0 431.117 4.170 50 0 IIAARN CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008777446 569475416 /nfs/dbraw/zinc/47/54/16/569475416.db2.gz HILRAJOSIUJQKO-OAQYLSRUSA-N 0 0 439.987 4.451 50 0 IIAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008778084 569475455 /nfs/dbraw/zinc/47/54/55/569475455.db2.gz ZDSUXRCGJIEDCN-LJQANCHMSA-N 0 0 441.597 4.040 50 0 IIAARN Cc1c(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 ZINC000008790284 569476028 /nfs/dbraw/zinc/47/60/28/569476028.db2.gz SKYFHLFIFNFOMR-INIZCTEOSA-N 0 0 430.504 4.198 50 0 biogenic IIAARN Cc1cc(O[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)c2c3c(c(=O)oc2c1)CCC3 ZINC000008790341 569476074 /nfs/dbraw/zinc/47/60/74/569476074.db2.gz IFECJADUDYKJCP-MRXNPFEDSA-N 0 0 430.504 4.198 50 0 biogenic IIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000008823965 569477148 /nfs/dbraw/zinc/47/71/48/569477148.db2.gz XJOYMUCAIMYOFB-SZNDQCEHSA-N 0 0 449.334 4.243 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)C12CC3CC(CC(C3)C1)C2 ZINC000008824323 569477184 /nfs/dbraw/zinc/47/71/84/569477184.db2.gz XUAJWVYUSKCKPV-VYPHASSDSA-N 0 0 443.547 4.213 50 0 IIAARN O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000008825456 569477389 /nfs/dbraw/zinc/47/73/89/569477389.db2.gz NENNXZLWEIHHKB-QHCPKHFHSA-N 0 0 435.501 4.473 50 0 IIAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cccnc1 ZINC000008826196 569477540 /nfs/dbraw/zinc/47/75/40/569477540.db2.gz URXKKVCEDBNNNV-UHFFFAOYSA-N 0 0 436.320 4.370 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CN(CCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000008828360 569477811 /nfs/dbraw/zinc/47/78/11/569477811.db2.gz HYCSYOYFYROYMC-UHFFFAOYSA-N 0 0 430.533 4.154 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000008836459 569478084 /nfs/dbraw/zinc/47/80/84/569478084.db2.gz BZQVBQLEKAYHKM-UHFFFAOYSA-N 0 0 438.459 4.081 50 0 IIAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843877 569478531 /nfs/dbraw/zinc/47/85/31/569478531.db2.gz OYMBJSLZGLBHJG-SFHVURJKSA-N 0 0 430.302 4.114 50 0 IIAARN CCN1CCN(c2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008844595 569478658 /nfs/dbraw/zinc/47/86/58/569478658.db2.gz NSOPCQSDVWDWFN-UHFFFAOYSA-N 0 0 445.972 4.278 50 0 IIAARN COc1ccc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845246 569478706 /nfs/dbraw/zinc/47/87/06/569478706.db2.gz SMFZATJZXBGQKC-XMMPIXPASA-N 0 0 445.475 4.446 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)N3CCc4ccccc43)cs2)c1 ZINC000008850978 569479337 /nfs/dbraw/zinc/47/93/37/569479337.db2.gz PIKVOVYFKLCGFA-UHFFFAOYSA-N 0 0 439.562 4.014 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1 ZINC000008850993 569479367 /nfs/dbraw/zinc/47/93/67/569479367.db2.gz STSVZMJQERPTIR-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN CCCCC(=O)N[C@@](Nc1ccc(OC(F)(F)Cl)cc1)(C(=O)OCC)C(F)(F)F ZINC000008854909 569479684 /nfs/dbraw/zinc/47/96/84/569479684.db2.gz JVOYRLIEXFZYBW-HNNXBMFYSA-N 0 0 446.800 4.395 50 0 IIAARN COc1ccc2nc(NC(=O)CSc3nnc(C4CC4)n3-c3ccccc3)sc2c1 ZINC000008861617 569480058 /nfs/dbraw/zinc/48/00/58/569480058.db2.gz CXYIIGFXZXKLNV-UHFFFAOYSA-N 0 0 437.550 4.494 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c(OC)c1 ZINC000008862074 569480083 /nfs/dbraw/zinc/48/00/83/569480083.db2.gz LKMUVBNDEKTKOK-UHFFFAOYSA-N 0 0 441.534 4.151 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c(C(=O)OCC)c1C ZINC000008868867 569480399 /nfs/dbraw/zinc/48/03/99/569480399.db2.gz PZUKEXLKCIQTHS-UHFFFAOYSA-N 0 0 443.477 4.077 50 0 IIAARN CC(C)=CCOc1ccc2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1C ZINC000008877073 569481195 /nfs/dbraw/zinc/48/11/95/569481195.db2.gz XLNCXRIMNCUVGG-JOCHJYFZSA-N 0 0 435.520 4.147 50 0 biogenic IIAARN O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008880537 569481422 /nfs/dbraw/zinc/48/14/22/569481422.db2.gz AWDLVUNIXZPDPF-UHFFFAOYSA-N 0 0 438.867 4.016 50 0 IIAARN Cc1cc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)n(-c2ccc(C)cc2)n1 ZINC000008883378 569483025 /nfs/dbraw/zinc/48/30/25/569483025.db2.gz AEEPFPXQCIWDPP-UHFFFAOYSA-N 0 0 442.567 4.362 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000040040791 569483536 /nfs/dbraw/zinc/48/35/36/569483536.db2.gz NJJDYAJZANHCGA-QGZVFWFLSA-N 0 0 449.532 4.194 50 0 IIAARN O=C(Nc1cccc2cccnc21)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008893895 569483626 /nfs/dbraw/zinc/48/36/26/569483626.db2.gz VJKOVNCIUGCDBM-UHFFFAOYSA-N 0 0 445.544 4.427 50 0 IIAARN Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008897594 569483902 /nfs/dbraw/zinc/48/39/02/569483902.db2.gz OEIFXSSOMIJRQM-UHFFFAOYSA-N 0 0 444.560 4.277 50 0 IIAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008898691 569483969 /nfs/dbraw/zinc/48/39/69/569483969.db2.gz GTZPNACTMHXGHU-HNNXBMFYSA-N 0 0 436.537 4.094 50 0 IIAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000040059948 569484774 /nfs/dbraw/zinc/48/47/74/569484774.db2.gz UJWYQMNQGMBVCX-UHFFFAOYSA-N 0 0 441.500 4.003 50 0 IIAARN CC(=O)Nc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000040067333 569484970 /nfs/dbraw/zinc/48/49/70/569484970.db2.gz NTFPKVQBAUHCIM-JOCHJYFZSA-N 0 0 437.569 4.140 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nc(SC)ncc1Br ZINC000008915220 569485475 /nfs/dbraw/zinc/48/54/75/569485475.db2.gz DTJNGFXVYIUGQP-UHFFFAOYSA-N 0 0 430.349 4.068 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c(C(=O)OCC)c1C ZINC000008915594 569485582 /nfs/dbraw/zinc/48/55/82/569485582.db2.gz IGDKAROJMUPQFW-UHFFFAOYSA-N 0 0 443.477 4.077 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)n(C)c1 ZINC000040070290 569485650 /nfs/dbraw/zinc/48/56/50/569485650.db2.gz FBJHYWHDJDMBJK-OAHLLOKOSA-N 0 0 437.993 4.075 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000040071205 569485772 /nfs/dbraw/zinc/48/57/72/569485772.db2.gz UGZMJESQDQRSLI-GFCCVEGCSA-N 0 0 425.842 4.222 50 0 IIAARN COc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)c1 ZINC000008918599 569486358 /nfs/dbraw/zinc/48/63/58/569486358.db2.gz HAVZSUYWWCSVAL-XBFAEUMISA-N 0 0 427.342 4.485 50 0 biogenic IIAARN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1Cl ZINC000040087412 569486766 /nfs/dbraw/zinc/48/67/66/569486766.db2.gz SYSKIEIAWFAKIQ-UHFFFAOYSA-N 0 0 426.281 4.272 50 0 IIAARN Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](c3ccccc3)CC2=O)c(C)c1 ZINC000008931831 569487613 /nfs/dbraw/zinc/48/76/13/569487613.db2.gz RQESJRGHPRPJOI-HSZRJFAPSA-N 0 0 448.544 4.194 50 0 IIAARN CCCCN(CC)C(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933329 569487788 /nfs/dbraw/zinc/48/77/88/569487788.db2.gz IUTUXSGMOGZJLF-UHFFFAOYSA-N 0 0 434.515 4.187 50 0 IIAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc3ccccc3c2)c(NC(C)C)n1 ZINC000008948555 569489162 /nfs/dbraw/zinc/48/91/62/569489162.db2.gz ILERGXPACUXYKF-UHFFFAOYSA-N 0 0 434.569 4.342 50 0 IIAARN CCSc1nc2c(cnn2CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(NC(C)C)n1 ZINC000008948345 569489193 /nfs/dbraw/zinc/48/91/93/569489193.db2.gz NGBUYJBKIVASJQ-UHFFFAOYSA-N 0 0 442.633 4.091 50 0 IIAARN CC(=O)NCCc1ccc(C(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1F ZINC000040122994 569489725 /nfs/dbraw/zinc/48/97/25/569489725.db2.gz OTSNYQHQVSPOEO-UHFFFAOYSA-N 0 0 425.529 4.102 50 0 IIAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 ZINC000040128393 569489731 /nfs/dbraw/zinc/48/97/31/569489731.db2.gz SWJPISUSIJAIKP-UHFFFAOYSA-N 0 0 425.388 4.377 50 0 IIAARN O=C(CC(c1ccccc1)c1ccccc1)NCCn1nc(-c2cccs2)ccc1=O ZINC000008954829 569490043 /nfs/dbraw/zinc/49/00/43/569490043.db2.gz JZTOKPKJDQQLAO-UHFFFAOYSA-N 0 0 429.545 4.310 50 0 IIAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)C1c2ccccc2Oc2ccccc21 ZINC000008954867 569490085 /nfs/dbraw/zinc/49/00/85/569490085.db2.gz RMRIBCKHGHTDGA-UHFFFAOYSA-N 0 0 429.501 4.026 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC ZINC000008959804 569490324 /nfs/dbraw/zinc/49/03/24/569490324.db2.gz GHDNTUZDNPRATC-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000040135503 569490701 /nfs/dbraw/zinc/49/07/01/569490701.db2.gz MGFKASVATUYDDD-UHFFFAOYSA-N 0 0 425.888 4.262 50 0 IIAARN O=C(NC[C@@H]1COc2ccccc2O1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000040138966 569490783 /nfs/dbraw/zinc/49/07/83/569490783.db2.gz RZQVJUMYBOZJPB-TZIWHRDSSA-N 0 0 446.482 4.056 50 0 IIAARN Cc1cc(C)n(Cc2cccc(CNC(=O)CCc3nnc(-c4ccc(C)cc4)o3)c2)n1 ZINC000040139390 569490905 /nfs/dbraw/zinc/49/09/05/569490905.db2.gz DQWHQSCRNZYJTR-UHFFFAOYSA-N 0 0 429.524 4.156 50 0 IIAARN CCOc1ccc(NC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965198 569491341 /nfs/dbraw/zinc/49/13/41/569491341.db2.gz SQZPSNSARQXPOC-SFHVURJKSA-N 0 0 430.508 4.402 50 0 IIAARN C[C@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccncc1 ZINC000040143169 569491870 /nfs/dbraw/zinc/49/18/70/569491870.db2.gz CYXITSZLVSFCOA-ZDUSSCGKSA-N 0 0 428.286 4.109 50 0 IIAARN O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000040143311 569491874 /nfs/dbraw/zinc/49/18/74/569491874.db2.gz FWNDWRKFPUUZIF-UHFFFAOYSA-N 0 0 429.879 4.146 50 0 IIAARN CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C(=O)N2CCCC2)c2ccccc2)cs1 ZINC000040146347 569492273 /nfs/dbraw/zinc/49/22/73/569492273.db2.gz OKMSYERMOKSWKY-HSZRJFAPSA-N 0 0 449.576 4.231 50 0 IIAARN Cc1cc(OCC(=O)NCc2ccncc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000008971360 569492746 /nfs/dbraw/zinc/49/27/46/569492746.db2.gz SPIQYJAMXZUKEN-UHFFFAOYSA-N 0 0 428.488 4.091 50 0 IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3cccc4ccccc43)cc2C1 ZINC000008977199 569492944 /nfs/dbraw/zinc/49/29/44/569492944.db2.gz UKTYKIWQOCFUNL-UHFFFAOYSA-N 0 0 432.501 4.432 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977283 569493003 /nfs/dbraw/zinc/49/30/03/569493003.db2.gz MALNTBJNMLREDI-UHFFFAOYSA-N 0 0 442.562 4.146 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000040150766 569493245 /nfs/dbraw/zinc/49/32/45/569493245.db2.gz MVKUKNGYDOXELV-LJQANCHMSA-N 0 0 430.508 4.198 50 0 IIAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)C2)c1 ZINC000040151277 569493296 /nfs/dbraw/zinc/49/32/96/569493296.db2.gz DJEGEIJQQWJMJF-UNMCSNQZSA-N 0 0 449.551 4.374 50 0 IIAARN O=S(=O)(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000040152665 569493458 /nfs/dbraw/zinc/49/34/58/569493458.db2.gz BAJDVKVVNCQGFI-JOCHJYFZSA-N 0 0 445.924 4.384 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1OCc1cn2ccccc2n1 ZINC000040152647 569493486 /nfs/dbraw/zinc/49/34/86/569493486.db2.gz VWVVBWABSVLGOL-UHFFFAOYSA-N 0 0 443.550 4.401 50 0 IIAARN C[C@@]1(CCc2ccc(OC(=O)c3ccccc3SC(F)(F)F)cc2)NC(=O)NC1=O ZINC000040156534 569494179 /nfs/dbraw/zinc/49/41/79/569494179.db2.gz PFCKBHPBLJZQGM-IBGZPJMESA-N 0 0 438.427 4.048 50 0 IIAARN CC(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccs1 ZINC000040157312 569494321 /nfs/dbraw/zinc/49/43/21/569494321.db2.gz QNILLWMHJFZMFZ-LPHOPBHVSA-N 0 0 438.590 4.192 50 0 IIAARN O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000040160235 569495064 /nfs/dbraw/zinc/49/50/64/569495064.db2.gz GUDIANHAJLPPBK-UHFFFAOYSA-N 0 0 426.929 4.349 50 0 IIAARN Cc1oc2cc(OCC(=O)N3CCSCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000008991864 569495303 /nfs/dbraw/zinc/49/53/03/569495303.db2.gz PBEOWDAMWOSFCX-UHFFFAOYSA-N 0 0 429.925 4.376 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3ccc(C)cc3)C(C)C)n2)cc1OC ZINC000009010398 569496444 /nfs/dbraw/zinc/49/64/44/569496444.db2.gz XHNJWXVQZHFMPT-QGZVFWFLSA-N 0 0 439.512 4.267 50 0 IIAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccc(F)c2)ccc1Cl ZINC000040268100 569497527 /nfs/dbraw/zinc/49/75/27/569497527.db2.gz KDGXNXGBXYUROL-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)ccc1Cl ZINC000040268099 569497549 /nfs/dbraw/zinc/49/75/49/569497549.db2.gz KDGXNXGBXYUROL-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN Cc1oc2cc(OCC(=O)N[C@H](CO)CC(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000009047488 569498480 /nfs/dbraw/zinc/49/84/80/569498480.db2.gz HYASHYONDCUIAZ-SFHVURJKSA-N 0 0 443.927 4.324 50 0 IIAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1c[nH]c2ccccc12 ZINC000009056171 569498966 /nfs/dbraw/zinc/49/89/66/569498966.db2.gz UUDHXVRUIWEWFT-UHFFFAOYSA-N 0 0 429.567 4.103 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056288 569499011 /nfs/dbraw/zinc/49/90/11/569499011.db2.gz NZSNXDJNVILNMA-QGZVFWFLSA-N 0 0 431.521 4.361 50 0 IIAARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056287 569499028 /nfs/dbraw/zinc/49/90/28/569499028.db2.gz NZSNXDJNVILNMA-KRWDZBQOSA-N 0 0 431.521 4.361 50 0 IIAARN COc1cccc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@]23C(=O)Nc2ccccc23)c1 ZINC000009059020 569499262 /nfs/dbraw/zinc/49/92/62/569499262.db2.gz OPDDNPULPUFQMH-RDPSFJRHSA-N 0 0 432.863 4.430 50 0 IIAARN COc1ccc(CCN(C)C(=O)c2csc(NC(=O)c3ccccc3C)n2)cc1OC ZINC000040355363 569499741 /nfs/dbraw/zinc/49/97/41/569499741.db2.gz OLEGHKCXQQSYSF-UHFFFAOYSA-N 0 0 439.537 4.036 50 0 IIAARN COc1ccc(CCNC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009071811 569500198 /nfs/dbraw/zinc/50/01/98/569500198.db2.gz BFHNAPCJPAZYHS-IBGZPJMESA-N 0 0 435.549 4.183 50 0 IIAARN CCOC(=O)[C@H]1C[C@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@@H]12 ZINC000009086419 569500608 /nfs/dbraw/zinc/50/06/08/569500608.db2.gz SUJYFLAAVLXMCC-YSIASYRMSA-N 0 0 426.310 4.485 50 0 IIAARN Nn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccccc1Br ZINC000009092148 569501251 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CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)n1 ZINC000009572541 569547770 /nfs/dbraw/zinc/54/77/70/569547770.db2.gz LSABFPJCTNXIJM-UHFFFAOYSA-N 0 0 425.558 4.484 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009576245 569548085 /nfs/dbraw/zinc/54/80/85/569548085.db2.gz QFOYINANZNNZHK-UHFFFAOYSA-N 0 0 426.523 4.438 50 0 IIAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccc(Cl)cc4)nn32)cc1 ZINC000009578522 569548330 /nfs/dbraw/zinc/54/83/30/569548330.db2.gz PTFIRDAEFWDBAA-UHFFFAOYSA-N 0 0 437.956 4.351 50 0 IIAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)c(C)o1 ZINC000070635001 569548642 /nfs/dbraw/zinc/54/86/42/569548642.db2.gz IPPBEGVUYPADNA-UHFFFAOYSA-N 0 0 436.946 4.062 50 0 IIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009580742 569548803 /nfs/dbraw/zinc/54/88/03/569548803.db2.gz GCDSRGZJYIFWPL-LJQANCHMSA-N 0 0 433.537 4.113 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000009581121 569549123 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521702787 /nfs/dbraw/zinc/70/27/87/521702787.db2.gz HMZNMBUDBUPVIX-UHFFFAOYSA-N 0 0 437.974 4.031 50 0 IIAARN CCOCCCN(C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004191 521704244 /nfs/dbraw/zinc/70/42/44/521704244.db2.gz ODMVNWADSAHYOO-INIZCTEOSA-N 0 0 448.947 4.212 50 0 IIAARN CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCC1 ZINC000035809362 521704990 /nfs/dbraw/zinc/70/49/90/521704990.db2.gz NMIIOMFSMMEZLW-UHFFFAOYSA-N 0 0 440.584 4.215 50 0 IIAARN CCOCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021809271 521706048 /nfs/dbraw/zinc/70/60/48/521706048.db2.gz QCXJYTRUKQRHHM-HKARXFIJSA-N 0 0 431.602 4.039 50 0 IIAARN CCN1CCc2nc3ccccc3c(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2C1 ZINC000021333303 521725091 /nfs/dbraw/zinc/72/50/91/521725091.db2.gz LGQUDRVUPMGYDT-UHFFFAOYSA-N 0 0 444.579 4.249 50 0 IIAARN CCNC(=O)NC1CCC(Nc2nc(CC)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000036016658 521742468 /nfs/dbraw/zinc/74/24/68/521742468.db2.gz IMRHKRXMLYAALN-UHFFFAOYSA-N 0 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CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997902 521798992 /nfs/dbraw/zinc/79/89/92/521798992.db2.gz XVROBVJXALTNGB-FQEVSTJZSA-N 0 0 426.473 4.242 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035522410 521854299 /nfs/dbraw/zinc/85/42/99/521854299.db2.gz VNLBGCHEIWKRMV-YVEFUNNKSA-N 0 0 431.514 4.341 50 0 IIAARN COc1cc(-c2cc(CN(C(=O)c3cccc(F)c3)C3CC3)no2)cc(OC)c1OC ZINC000036012041 521895265 /nfs/dbraw/zinc/89/52/65/521895265.db2.gz IDHYJJZWCRCGBQ-UHFFFAOYSA-N 0 0 426.444 4.311 50 0 IIAARN COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000012787229 521897272 /nfs/dbraw/zinc/89/72/72/521897272.db2.gz RCLVWTOXUCYZLH-UHFFFAOYSA-N 0 0 448.447 4.388 50 0 IIAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000015800355 521970469 /nfs/dbraw/zinc/97/04/69/521970469.db2.gz RMIDNFXZHUWLOG-NVNXTCNLSA-N 0 0 437.290 4.314 50 0 IIAARN CCc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)C1 ZINC000012218597 522001514 /nfs/dbraw/zinc/00/15/14/522001514.db2.gz KNXROTNCNOFXMR-FQEVSTJZSA-N 0 0 447.535 4.240 50 0 IIAARN COc1cc(Br)c([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1O ZINC000012550507 522023305 /nfs/dbraw/zinc/02/33/05/522023305.db2.gz FYWICNNPOSVJSL-HNNXBMFYSA-N 0 0 431.208 4.292 50 0 IIAARN COc1cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)ccc1OC(F)F ZINC000021711493 522061057 /nfs/dbraw/zinc/06/10/57/522061057.db2.gz ZGYOYSUAVAGTJJ-UHFFFAOYSA-N 0 0 430.407 4.171 50 0 IIAARN COC(=O)c1ccc(N2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)nc1 ZINC000015068400 522078100 /nfs/dbraw/zinc/07/81/00/522078100.db2.gz QIYSNAJKMSEOBJ-OAHLLOKOSA-N 0 0 431.920 4.166 50 0 IIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000020734260 522105386 /nfs/dbraw/zinc/10/53/86/522105386.db2.gz CYAKFCCFNOXIMP-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2cccc3ccccc32)c1 ZINC000009661606 522117591 /nfs/dbraw/zinc/11/75/91/522117591.db2.gz SRUVUZNTBXAJGD-UHFFFAOYSA-N 0 0 438.487 4.191 50 0 IIAARN COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc(OC)c1OC ZINC000012799395 522127723 /nfs/dbraw/zinc/12/77/23/522127723.db2.gz VTOOJBITGDLWSY-HNNXBMFYSA-N 0 0 446.503 4.041 50 0 IIAARN CCc1nc(-c2ccc(N3CCN(C(=O)[C@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1 ZINC000035529858 522147859 /nfs/dbraw/zinc/14/78/59/522147859.db2.gz SPGWHHKPKRMROF-INIZCTEOSA-N 0 0 440.931 4.069 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561630 522174056 /nfs/dbraw/zinc/17/40/56/522174056.db2.gz QWMSBFSODGWWAZ-SQJMNOBHSA-N 0 0 442.471 4.487 50 0 IIAARN COC(=O)c1ccc2c(=O)[nH]c(CSc3nc(-c4ccc(F)cc4)cs3)nc2c1 ZINC000012482912 522180155 /nfs/dbraw/zinc/18/01/55/522180155.db2.gz OPBVFBXEABMLAN-UHFFFAOYSA-N 0 0 427.482 4.265 50 0 IIAARN COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1C ZINC000021757267 522223471 /nfs/dbraw/zinc/22/34/71/522223471.db2.gz WJZRELIECHLYHV-UHFFFAOYSA-N 0 0 438.553 4.170 50 0 IIAARN CN(C)c1nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)sc2n1-c1ccccc1 ZINC000012544320 522333518 /nfs/dbraw/zinc/33/35/18/522333518.db2.gz CIOJUEXTARGDGZ-UHFFFAOYSA-N 0 0 445.548 4.298 50 0 IIAARN COc1cc(CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C2CC2)ccc1OC(F)F ZINC000022375358 522340566 /nfs/dbraw/zinc/34/05/66/522340566.db2.gz WXBVGQYKHMTDQV-INIZCTEOSA-N 0 0 434.414 4.053 50 0 IIAARN COc1cc(CNC(=O)c2c(C)noc2-c2ccc(OC(F)(F)F)cc2)cc(OC)c1 ZINC000023334643 522431888 /nfs/dbraw/zinc/43/18/88/522431888.db2.gz OYKJMIFJTOYUMM-UHFFFAOYSA-N 0 0 436.386 4.496 50 0 IIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000021121479 522432982 /nfs/dbraw/zinc/43/29/82/522432982.db2.gz YPTZHHJKFPQDDK-CABCVRRESA-N 0 0 439.512 4.301 50 0 IIAARN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000015864537 522433179 /nfs/dbraw/zinc/43/31/79/522433179.db2.gz AWCDLDHMCFXIEA-UHFFFAOYSA-N 0 0 431.510 4.305 50 0 IIAARN COC(=O)c1sc2nc(CN3C[C@@H](C)O[C@@H](C)C3)ccc2c1NC(=O)C1CCCCC1 ZINC000020450541 522434027 /nfs/dbraw/zinc/43/40/27/522434027.db2.gz VMUJXKHHLKNZDY-GASCZTMLSA-N 0 0 445.585 4.211 50 0 IIAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccccc3)CC2)n1 ZINC000036001951 522469500 /nfs/dbraw/zinc/46/95/00/522469500.db2.gz URWUKIHBLHXGIX-UHFFFAOYSA-N 0 0 440.551 4.039 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(=O)Nn2c(C)ccc2C)cc1 ZINC000012743650 522511913 /nfs/dbraw/zinc/51/19/13/522511913.db2.gz VQTAJWNFKYLRCH-UHFFFAOYSA-N 0 0 441.915 4.477 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000021580275 522518572 /nfs/dbraw/zinc/51/85/72/522518572.db2.gz MHPLOPVINKNNBT-OAQYLSRUSA-N 0 0 433.474 4.330 50 0 IIAARN CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000036063180 522526377 /nfs/dbraw/zinc/52/63/77/522526377.db2.gz BRDHUYVEPNKAPZ-KNBKFLTOSA-N 0 0 439.021 4.315 50 0 IIAARN COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012639098 522624932 /nfs/dbraw/zinc/62/49/32/522624932.db2.gz GHIMIFTXNJDVCH-AWEZNQCLSA-N 0 0 431.920 4.105 50 0 IIAARN COc1cc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc(OC)c1OC ZINC000012895994 522671725 /nfs/dbraw/zinc/67/17/25/522671725.db2.gz IOVIOMILNWXPCV-UHFFFAOYSA-N 0 0 437.448 4.363 50 0 biogenic IIAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3ccc(F)cc3)cc2=O)s1 ZINC000020582874 522710142 /nfs/dbraw/zinc/71/01/42/522710142.db2.gz TUJXJMUZHSGUBA-UHFFFAOYSA-N 0 0 440.525 4.397 50 0 IIAARN CCc1nn2c(ncc3c2ccn(-c2cc(OC)ccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000022610669 522711448 /nfs/dbraw/zinc/71/14/48/522711448.db2.gz FWHSBZLXSMODPD-UHFFFAOYSA-N 0 0 444.466 4.419 50 0 IIAARN COCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)CC(C)C ZINC000035944661 522734614 /nfs/dbraw/zinc/73/46/14/522734614.db2.gz LYTRUIBPLMQWHO-UHFFFAOYSA-N 0 0 431.964 4.289 50 0 IIAARN COC(=O)/C=C/c1ccc(OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000022764957 522741410 /nfs/dbraw/zinc/74/14/10/522741410.db2.gz ARUFNMNCCMHWDL-NYYWCZLTSA-N 0 0 425.412 4.214 50 0 IIAARN COC(=O)/C=C/c1ccc(OCC(=O)NC2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000012891467 522742435 /nfs/dbraw/zinc/74/24/35/522742435.db2.gz MJOXFXGTKRTEJG-WYMLVPIESA-N 0 0 429.472 4.146 50 0 IIAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000020895624 522931868 /nfs/dbraw/zinc/93/18/68/522931868.db2.gz QFZUZANXPULNCG-FQEVSTJZSA-N 0 0 447.944 4.237 50 0 IIAARN CN(CC[C@H](O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012718542 522935016 /nfs/dbraw/zinc/93/50/16/522935016.db2.gz LPFNXHQRRUTDQN-DEOSSOPVSA-N 0 0 426.520 4.112 50 0 IIAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CCCC3CCCC3)cc2)CC1 ZINC000012432302 522943922 /nfs/dbraw/zinc/94/39/22/522943922.db2.gz FNHKLXGKKVJHAQ-UHFFFAOYSA-N 0 0 430.589 4.135 50 0 IIAARN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012568941 523006249 /nfs/dbraw/zinc/00/62/49/523006249.db2.gz WCESIDPHACTGNV-INIZCTEOSA-N 0 0 446.594 4.116 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3ccc(Br)cc31)CC2 ZINC000020762100 523029852 /nfs/dbraw/zinc/02/98/52/523029852.db2.gz FRNPEVBPGCYIMH-UHFFFAOYSA-N 0 0 429.314 4.006 50 0 biogenic IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1c3ccc(C)cc3C(=O)C1=O)CC2 ZINC000023967834 523041087 /nfs/dbraw/zinc/04/10/87/523041087.db2.gz LFKRCDXJHDEJSM-RUZDIDTESA-N 0 0 442.515 4.147 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036040974 523045396 /nfs/dbraw/zinc/04/53/96/523045396.db2.gz HBMRBANKSBOWFD-VWLOTQADSA-N 0 0 444.575 4.471 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000021935507 523078021 /nfs/dbraw/zinc/07/80/21/523078021.db2.gz JQXLAPLLTLPPGX-SJKOYZFVSA-N 0 0 426.929 4.469 50 0 IIAARN COC(=O)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(SC)cc1 ZINC000021889474 523095685 /nfs/dbraw/zinc/09/56/85/523095685.db2.gz BBVNJGQUAQZMBB-HSZRJFAPSA-N 0 0 435.549 4.377 50 0 IIAARN COc1ccc(-c2cc(NC(=O)COc3ccc(F)cc3)n(-c3ccccn3)n2)cc1OC ZINC000041155876 523111524 /nfs/dbraw/zinc/11/15/24/523111524.db2.gz UBFFXVFJDDYVFJ-UHFFFAOYSA-N 0 0 448.454 4.108 50 0 IIAARN COc1ccc(-c2cc(NC(=O)c3cnc4sccn4c3=O)ccc2OC(F)F)cc1 ZINC000015536664 523113692 /nfs/dbraw/zinc/11/36/92/523113692.db2.gz MLVSLHJHKSXTFW-UHFFFAOYSA-N 0 0 443.431 4.285 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)CC(=O)N3)cc1 ZINC000020736770 523122154 /nfs/dbraw/zinc/12/21/54/523122154.db2.gz LMWFZLLRVHHBEV-QGZVFWFLSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)CC(=O)N3)cc1 ZINC000020736767 523122414 /nfs/dbraw/zinc/12/24/14/523122414.db2.gz LMWFZLLRVHHBEV-KRWDZBQOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1OC ZINC000020745765 523122952 /nfs/dbraw/zinc/12/29/52/523122952.db2.gz NOAHYESBKUBPIV-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@H](C)c4ccccc4C)c(=O)c3s2)cc1 ZINC000012734148 523124910 /nfs/dbraw/zinc/12/49/10/523124910.db2.gz GZKWBUUSPCDMJC-MRXNPFEDSA-N 0 0 433.533 4.319 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000020722637 523152387 /nfs/dbraw/zinc/15/23/87/523152387.db2.gz JRTJLQQHONBHKH-GOSISDBHSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000035685298 523152866 /nfs/dbraw/zinc/15/28/66/523152866.db2.gz RMVCDYRONXYXOE-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3Cl)n2)cc1 ZINC000015670247 523156658 /nfs/dbraw/zinc/15/66/58/523156658.db2.gz KDVBKVRSGDAIEI-KRWDZBQOSA-N 0 0 446.898 4.169 50 0 IIAARN COc1ccc(-c2csc(CN3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000021687939 523163675 /nfs/dbraw/zinc/16/36/75/523163675.db2.gz QWDNAEWDNHEHPP-UHFFFAOYSA-N 0 0 427.957 4.430 50 0 IIAARN COc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000012916651 523174399 /nfs/dbraw/zinc/17/43/99/523174399.db2.gz NDPLWJHIJGMGMG-MRXNPFEDSA-N 0 0 442.924 4.227 50 0 IIAARN COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)cc1 ZINC000035460306 523185324 /nfs/dbraw/zinc/18/53/24/523185324.db2.gz FDYLZLMIMQMWRP-UHFFFAOYSA-N 0 0 431.496 4.165 50 0 IIAARN COc1ccc(-c2nc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)sc2C)cc1 ZINC000012890861 523221832 /nfs/dbraw/zinc/22/18/32/523221832.db2.gz PCWKZPMSMOWFET-UHFFFAOYSA-N 0 0 428.539 4.113 50 0 IIAARN CCn1c(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)nnc1-c1ccco1 ZINC000021988030 523232828 /nfs/dbraw/zinc/23/28/28/523232828.db2.gz DWOLNKNKTHJUDT-UHFFFAOYSA-N 0 0 432.571 4.257 50 0 IIAARN COc1ccc(-c2nn(Cc3nc(-c4cccs4)oc3C)c(=O)c3noc(C)c32)cc1 ZINC000021533822 523247233 /nfs/dbraw/zinc/24/72/33/523247233.db2.gz CXKINAXFSCDDKJ-UHFFFAOYSA-N 0 0 434.477 4.442 50 0 IIAARN COc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)n2N)c(OC)c1 ZINC000024091997 523263143 /nfs/dbraw/zinc/26/31/43/523263143.db2.gz SZGJPYFEACXJTQ-UHFFFAOYSA-N 0 0 441.340 4.154 50 0 IIAARN COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)c(OC)c1 ZINC000017988053 523264042 /nfs/dbraw/zinc/26/40/42/523264042.db2.gz FZTZCKCFXZWSEB-LJQANCHMSA-N 0 0 425.510 4.210 50 0 IIAARN CCn1c2ccccc2c2cc(/C=C/C(=O)NCc3ccnc(N4CCOCC4)c3)ccc21 ZINC000069518470 523275615 /nfs/dbraw/zinc/27/56/15/523275615.db2.gz XSDIQWVYSLCDTH-CSKARUKUSA-N 0 0 440.547 4.376 50 0 IIAARN CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)nc21 ZINC000021868088 523280275 /nfs/dbraw/zinc/28/02/75/523280275.db2.gz GZWVDOQFILRKQF-ZDUSSCGKSA-N 0 0 437.525 4.094 50 0 IIAARN CN(Cc1ccc2ccccc2c1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000018123633 523283277 /nfs/dbraw/zinc/28/32/77/523283277.db2.gz SKUNBKGEWIBQCQ-UHFFFAOYSA-N 0 0 425.326 4.381 50 0 IIAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2cc3ccccc3n2)cc1 ZINC000012718818 523353219 /nfs/dbraw/zinc/35/32/19/523353219.db2.gz VGVCLNWERWOOCR-JOCHJYFZSA-N 0 0 429.524 4.061 50 0 IIAARN COCCCNC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682287 523366668 /nfs/dbraw/zinc/36/66/68/523366668.db2.gz HPVDHFJFWTZVPD-PMERELPUSA-N 0 0 426.538 4.033 50 0 IIAARN COc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000035147498 523432458 /nfs/dbraw/zinc/43/24/58/523432458.db2.gz VEIWIULWHHFQJE-KUGGDMIFSA-N 0 0 438.505 4.411 50 0 IIAARN COc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000035147496 523432882 /nfs/dbraw/zinc/43/28/82/523432882.db2.gz VEIWIULWHHFQJE-WQTVUKCASA-N 0 0 438.505 4.411 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c2cc(Cl)ccc2O1 ZINC000035539215 523460646 /nfs/dbraw/zinc/46/06/46/523460646.db2.gz PVDBKPUNOOYDBA-CYBMUJFWSA-N 0 0 439.946 4.435 50 0 IIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C[C@H](c2ccccc2)N=3)cc1 ZINC000020618217 523464030 /nfs/dbraw/zinc/46/40/30/523464030.db2.gz GHORGEQIGYWLRF-KEBYFXCJSA-N 0 0 426.541 4.101 50 0 IIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C[C@H](c2ccccc2)N=3)cc1 ZINC000020618215 523464134 /nfs/dbraw/zinc/46/41/34/523464134.db2.gz GHORGEQIGYWLRF-FQJGDMNZSA-N 0 0 426.541 4.101 50 0 IIAARN CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1 ZINC000012331179 523479882 /nfs/dbraw/zinc/47/98/82/523479882.db2.gz ZTZTWNVRRMKDIR-NRFANRHFSA-N 0 0 439.581 4.228 50 0 IIAARN COc1ccc(Br)c(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1 ZINC000021600960 523481756 /nfs/dbraw/zinc/48/17/56/523481756.db2.gz GCJCIJKBQIMIIT-KRWDZBQOSA-N 0 0 434.721 4.364 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000023245540 523486777 /nfs/dbraw/zinc/48/67/77/523486777.db2.gz MFYVFDOTJNOQSP-UHFFFAOYSA-N 0 0 440.334 4.492 50 0 IIAARN CCn1cc2nc(SCc3cc(F)cc(F)c3)n(Cc3ccccc3F)c(=O)c2n1 ZINC000033265348 523488927 /nfs/dbraw/zinc/48/89/27/523488927.db2.gz VUFMMKYXVSTTGF-UHFFFAOYSA-N 0 0 430.455 4.371 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012786902 523562342 /nfs/dbraw/zinc/56/23/42/523562342.db2.gz ABRDPCYVGOXPQL-UHFFFAOYSA-N 0 0 429.320 4.233 50 0 IIAARN COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cc1 ZINC000012717850 523630134 /nfs/dbraw/zinc/63/01/34/523630134.db2.gz YXBRWPXJRTXJHA-HXUWFJFHSA-N 0 0 436.537 4.156 50 0 IIAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 ZINC000035809352 523645635 /nfs/dbraw/zinc/64/56/35/523645635.db2.gz ROZXCBICOHJEGP-UHFFFAOYSA-N 0 0 448.563 4.257 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000012554764 523652126 /nfs/dbraw/zinc/65/21/26/523652126.db2.gz WSRFGQRNXXIDAN-UHFFFAOYSA-N 0 0 447.560 4.287 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001105862 523679570 /nfs/dbraw/zinc/67/95/70/523679570.db2.gz QJCHBJQKUUFDLI-NRFANRHFSA-N 0 0 449.894 4.345 50 0 IIAARN CCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000035890019 523708364 /nfs/dbraw/zinc/70/83/64/523708364.db2.gz UBOLOVNSYQZYAA-UHFFFAOYSA-N 0 0 430.552 4.294 50 0 IIAARN CCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000011867490 523745392 /nfs/dbraw/zinc/74/53/92/523745392.db2.gz GZQNRKOQLYBTFR-UHFFFAOYSA-N 0 0 429.856 4.231 50 0 IIAARN CCc1cc(C(=O)OC)c(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)s1 ZINC000020607573 523778502 /nfs/dbraw/zinc/77/85/02/523778502.db2.gz JHIVVZXKKMTOAP-ZDUSSCGKSA-N 0 0 429.464 4.391 50 0 IIAARN COc1ccc(C)cc1CSc1nnc(CN2CCCCCC2=O)n1-c1cccnc1 ZINC000012557870 523814663 /nfs/dbraw/zinc/81/46/63/523814663.db2.gz TYXXPTMIKHMJGB-UHFFFAOYSA-N 0 0 437.569 4.174 50 0 IIAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cc(=O)[nH]c4ccccc43)n2)cc1 ZINC000012617558 523857274 /nfs/dbraw/zinc/85/72/74/523857274.db2.gz PEYBABWSGKCRHX-CQSZACIVSA-N 0 0 447.516 4.398 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32c3ccccc3NC2=O)cc1 ZINC000012193497 523877739 /nfs/dbraw/zinc/87/77/39/523877739.db2.gz QLOYYDLCRVECEN-OFVILXPXSA-N 0 0 427.460 4.052 50 0 IIAARN COc1ccc(C2=NN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)CC2)cc1 ZINC000020729496 523878473 /nfs/dbraw/zinc/87/84/73/523878473.db2.gz QHIFIIUYTVJBRI-UHFFFAOYSA-N 0 0 439.821 4.333 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32c3ccccc3NC2=O)c(OC)c1 ZINC000035569278 523879816 /nfs/dbraw/zinc/87/98/16/523879816.db2.gz NOVUODGDKKYXGN-PXDATVDWSA-N 0 0 427.460 4.052 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(F)cc3)CC2)cc1 ZINC000035887564 523886463 /nfs/dbraw/zinc/88/64/63/523886463.db2.gz KSGOBFZWALKAAM-UHFFFAOYSA-N 0 0 432.543 4.348 50 0 IIAARN COCCN1c2ccc(NC(=O)COc3ccccc3)cc2Sc2ccccc2C1=O ZINC000021355485 523888813 /nfs/dbraw/zinc/88/88/13/523888813.db2.gz ITPBREWYMHOTGP-UHFFFAOYSA-N 0 0 434.517 4.462 50 0 IIAARN COc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1OC ZINC000035399465 523891292 /nfs/dbraw/zinc/89/12/92/523891292.db2.gz SRNLRBQWJGETPH-UHFFFAOYSA-N 0 0 435.499 4.120 50 0 biogenic IIAARN COc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)cc1OC ZINC000042380160 523891770 /nfs/dbraw/zinc/89/17/70/523891770.db2.gz PLBLNWCFMKIASJ-MRXNPFEDSA-N 0 0 441.528 4.310 50 0 IIAARN COc1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012733631 523915045 /nfs/dbraw/zinc/91/50/45/523915045.db2.gz OIMOKQHZOLITOX-UHFFFAOYSA-N 0 0 428.838 4.397 50 0 IIAARN CCc1ccc(NC(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000021807396 523970060 /nfs/dbraw/zinc/97/00/60/523970060.db2.gz PBCFHASLWVKMEQ-UHFFFAOYSA-N 0 0 449.942 4.191 50 0 IIAARN CCc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000020847931 523970719 /nfs/dbraw/zinc/97/07/19/523970719.db2.gz FWKBPIDODGMQRE-UHFFFAOYSA-N 0 0 436.512 4.171 50 0 IIAARN CCc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000033309862 523974337 /nfs/dbraw/zinc/97/43/37/523974337.db2.gz NXQFYQWBOCZYTD-UHFFFAOYSA-N 0 0 433.581 4.096 50 0 IIAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000021872165 523975121 /nfs/dbraw/zinc/97/51/21/523975121.db2.gz BQBXTGOKSDLHAP-QFIPXVFZSA-N 0 0 446.482 4.149 50 0 IIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3csc(-c4ccsc4)n3)C2=O)cc1 ZINC000012623673 523982454 /nfs/dbraw/zinc/98/24/54/523982454.db2.gz UVRAQVNEEFNJCH-OAQYLSRUSA-N 0 0 427.551 4.324 50 0 IIAARN CCc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000023402994 524000907 /nfs/dbraw/zinc/00/09/07/524000907.db2.gz HDNIYCCKTARASV-UHFFFAOYSA-N 0 0 438.549 4.112 50 0 IIAARN CC[C@H](C)NC(=O)c1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1N1CCCC[C@@H]1C ZINC000035987891 524000888 /nfs/dbraw/zinc/00/08/88/524000888.db2.gz XBJNQUOJPYBELK-HOTGVXAUSA-N 0 0 442.560 4.077 50 0 IIAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H](C)CC)c(C(=O)OC)n2C[C@@H]1CCCO1 ZINC000014741036 524006944 /nfs/dbraw/zinc/00/69/44/524006944.db2.gz RPASXPGIJORXDD-ZOBUZTSGSA-N 0 0 430.549 4.197 50 0 IIAARN CN(C)C(=O)[C@@H]1CCCN1Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000012562993 524011878 /nfs/dbraw/zinc/01/18/78/524011878.db2.gz OZZOMCNSMYULAC-IBGZPJMESA-N 0 0 441.988 4.234 50 0 IIAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)cc1OCC1(C)COC1 ZINC000012278555 524013085 /nfs/dbraw/zinc/01/30/85/524013085.db2.gz UBZWQWGDWHUMFR-OAQYLSRUSA-N 0 0 443.515 4.071 50 0 IIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)cc1OCC1(C)COC1 ZINC000012278553 524013210 /nfs/dbraw/zinc/01/32/10/524013210.db2.gz UBZWQWGDWHUMFR-NRFANRHFSA-N 0 0 443.515 4.071 50 0 IIAARN COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021863718 524021378 /nfs/dbraw/zinc/02/13/78/524021378.db2.gz RZCMKQKBEVONIK-SANMLTNESA-N 0 0 447.535 4.230 50 0 IIAARN COc1ccc(CNC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000012866718 524048720 /nfs/dbraw/zinc/04/87/20/524048720.db2.gz KEQNKKZIBWYZPP-UHFFFAOYSA-N 0 0 433.533 4.149 50 0 IIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(I)c1 ZINC000012571070 524068023 /nfs/dbraw/zinc/06/80/23/524068023.db2.gz SJJPMGGQNWHBNA-UHFFFAOYSA-N 0 0 437.277 4.212 50 0 IIAARN COc1ccc(CNC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012555632 524068364 /nfs/dbraw/zinc/06/83/64/524068364.db2.gz VQMHMCFDADIOKV-UHFFFAOYSA-N 0 0 431.605 4.477 50 0 IIAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000035887447 524109965 /nfs/dbraw/zinc/10/99/65/524109965.db2.gz SKHAOLJSFUQWIW-UHFFFAOYSA-N 0 0 432.543 4.403 50 0 IIAARN C[C@H]1CCCN(c2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c3ccccc32)C1 ZINC000033175162 524110470 /nfs/dbraw/zinc/11/04/70/524110470.db2.gz QXSLDPYHSTWIRE-AWEZNQCLSA-N 0 0 428.895 4.064 50 0 IIAARN COc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(OC)c(F)c3)n2)cc1F ZINC000022623493 524111625 /nfs/dbraw/zinc/11/16/25/524111625.db2.gz SVGFFUNPFCBFEW-UHFFFAOYSA-N 0 0 443.402 4.091 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045743 524122185 /nfs/dbraw/zinc/12/21/85/524122185.db2.gz CDSVYKVSHISWNH-DQEYMECFSA-N 0 0 428.532 4.176 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045815 524122678 /nfs/dbraw/zinc/12/26/78/524122678.db2.gz YLJSQQSOVGMRMW-DQEYMECFSA-N 0 0 446.522 4.315 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531012 524124088 /nfs/dbraw/zinc/12/40/88/524124088.db2.gz YKEOZCSZJUWNGY-AREMUKBSSA-N 0 0 439.559 4.349 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cnn(C)c2)c1OC ZINC000012373481 524135659 /nfs/dbraw/zinc/13/56/59/524135659.db2.gz KRPHNAIZOIEVLK-RUZDIDTESA-N 0 0 444.535 4.026 50 0 IIAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3ccc(C(F)(F)F)cc3)CCC(=O)N2)cc1 ZINC000015068745 524144903 /nfs/dbraw/zinc/14/49/03/524144903.db2.gz HFSGEHCNGWWGRL-HSZRJFAPSA-N 0 0 448.485 4.044 50 0 IIAARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012550398 524159801 /nfs/dbraw/zinc/15/98/01/524159801.db2.gz POOQJUGIXFLEHP-LXGFQCHUSA-N 0 0 435.534 4.301 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc(F)c(N(C)C)c(F)c3)CCCC2)c1 ZINC000069484656 524184093 /nfs/dbraw/zinc/18/40/93/524184093.db2.gz MQBICYGUKFEVIN-UHFFFAOYSA-N 0 0 436.524 4.373 50 0 IIAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000018104993 524185728 /nfs/dbraw/zinc/18/57/28/524185728.db2.gz FDPQUJNXEZNDSN-OALUTQOASA-N 0 0 449.551 4.234 50 0 IIAARN COc1ccc(Cl)cc1-n1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S ZINC000012416080 524191183 /nfs/dbraw/zinc/19/11/83/524191183.db2.gz QKYIVASDJCMICY-UHFFFAOYSA-N 0 0 449.941 4.171 50 0 IIAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c21 ZINC000020722695 524201517 /nfs/dbraw/zinc/20/15/17/524201517.db2.gz BUXMPRCRLAZBFR-HXUWFJFHSA-N 0 0 434.323 4.431 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)s1 ZINC000021523000 524222435 /nfs/dbraw/zinc/22/24/35/524222435.db2.gz NXIJTQPSRMJDCS-IBGZPJMESA-N 0 0 448.596 4.002 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CSc3nc4nc(C)cc(C)n4n3)[C@@H](c3ccco3)C2)cc1 ZINC000012642995 524232571 /nfs/dbraw/zinc/23/25/71/524232571.db2.gz YJHPYJDYRMXGJR-LJQANCHMSA-N 0 0 446.536 4.113 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3I)n2)C1 ZINC000012793520 524237477 /nfs/dbraw/zinc/23/74/77/524237477.db2.gz SGZHEDBTTAINFE-GFCCVEGCSA-N 0 0 441.338 4.232 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 ZINC000012866442 524240529 /nfs/dbraw/zinc/24/05/29/524240529.db2.gz BPMSNWUNIDCOKB-INIZCTEOSA-N 0 0 425.916 4.168 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1)n1nc(-c2ccccc2)ccc1=O ZINC000042381005 524247918 /nfs/dbraw/zinc/24/79/18/524247918.db2.gz WNGXKJFWMXFNKR-INIZCTEOSA-N 0 0 443.532 4.079 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CC[C@H](C)Sc3ccccc32)c(C)c1 ZINC000013056259 524282691 /nfs/dbraw/zinc/28/26/91/524282691.db2.gz LTTSMQQNIFZHMG-IBGZPJMESA-N 0 0 425.598 4.400 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000012604675 524323479 /nfs/dbraw/zinc/32/34/79/524323479.db2.gz YCEUPLRDODYAMQ-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN COc1ccccc1C(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848917 524343320 /nfs/dbraw/zinc/34/33/20/524343320.db2.gz VYVLTVFENVIVLB-UHFFFAOYSA-N 0 0 448.592 4.419 50 0 IIAARN COc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000035887478 524343568 /nfs/dbraw/zinc/34/35/68/524343568.db2.gz JIKRGOMCLWWHOD-UHFFFAOYSA-N 0 0 444.579 4.272 50 0 IIAARN COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000015412517 524390759 /nfs/dbraw/zinc/39/07/59/524390759.db2.gz BSPWIHUAQDAMGF-RUZDIDTESA-N 0 0 446.503 4.142 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H](C)C1=O 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/nfs/dbraw/zinc/23/56/51/525235651.db2.gz XSSHPIKXDCHNSI-UHFFFAOYSA-N 0 0 426.870 4.213 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ncnc3ccccc32)cc1 ZINC000012599499 525239097 /nfs/dbraw/zinc/23/90/97/525239097.db2.gz ZEOMFAIVVMHJNU-DEOSSOPVSA-N 0 0 438.487 4.395 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000023386223 525245117 /nfs/dbraw/zinc/24/51/17/525245117.db2.gz BBPSBAUBJUWZFZ-KRWDZBQOSA-N 0 0 437.323 4.104 50 0 IIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661204 525246496 /nfs/dbraw/zinc/24/64/96/525246496.db2.gz DRZVEIRWEKSMSN-UHFFFAOYSA-N 0 0 447.861 4.354 50 0 IIAARN Cc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12 ZINC000020676502 525267032 /nfs/dbraw/zinc/26/70/32/525267032.db2.gz AVSPEODUCWQFSY-UHFFFAOYSA-N 0 0 436.625 4.408 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccsc3)cc2Cl)c1 ZINC000012763529 525268554 /nfs/dbraw/zinc/26/85/54/525268554.db2.gz ZRJLFDCOJVOZIU-UHFFFAOYSA-N 0 0 434.926 4.310 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CCc3ccco3)cc2Cl)c1 ZINC000012730812 525268623 /nfs/dbraw/zinc/26/86/23/525268623.db2.gz WCLDSKCDHGTLFG-UHFFFAOYSA-N 0 0 446.912 4.160 50 0 IIAARN CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000021374205 525274964 /nfs/dbraw/zinc/27/49/64/525274964.db2.gz LYHLIINGYPQYPO-UHFFFAOYSA-N 0 0 433.485 4.278 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)c2)cc1 ZINC000022601363 525305484 /nfs/dbraw/zinc/30/54/84/525305484.db2.gz DTVPUTQPOCTXTE-UHFFFAOYSA-N 0 0 445.544 4.476 50 0 IIAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000012622850 525319708 /nfs/dbraw/zinc/31/97/08/525319708.db2.gz PFURYHADANUXOT-GOSISDBHSA-N 0 0 425.229 4.018 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2cccc(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560690 525344672 /nfs/dbraw/zinc/34/46/72/525344672.db2.gz HSGAKRZZFLRHEI-DEOSSOPVSA-N 0 0 430.504 4.107 50 0 IIAARN COc1ccc([C@H](NC(=O)CNC(=O)Cc2cccc3ccccc32)c2ccccc2)cc1 ZINC000012746304 525365364 /nfs/dbraw/zinc/36/53/64/525365364.db2.gz JZZHWUAWHHFXHE-MUUNZHRXSA-N 0 0 438.527 4.413 50 0 IIAARN Cc1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c(Br)c1 ZINC000012654981 525388874 /nfs/dbraw/zinc/38/88/74/525388874.db2.gz LIXIUHWMWRQUGI-UHFFFAOYSA-N 0 0 436.693 4.156 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(I)cc2)c2c1[C@@H](C)CC2=O ZINC000012587225 525393483 /nfs/dbraw/zinc/39/34/83/525393483.db2.gz QFDMJUOMSLSMDH-LBPRGKRZSA-N 0 0 435.261 4.307 50 0 IIAARN Cc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c[nH]1 ZINC000012799661 525414424 /nfs/dbraw/zinc/41/44/24/525414424.db2.gz KGFXFXWMPRLZGC-ROUUACIJSA-N 0 0 425.554 4.162 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062012 525419558 /nfs/dbraw/zinc/41/95/58/525419558.db2.gz OGRBBBALXPSVFB-PKTZIBPZSA-N 0 0 438.568 4.030 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)ccc1F ZINC000012781217 525421731 /nfs/dbraw/zinc/42/17/31/525421731.db2.gz RUYQDIVMFZNDJT-UHFFFAOYSA-N 0 0 434.518 4.162 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)CCc2ccccc2)c2cccs2)ccc1F ZINC000020604152 525425758 /nfs/dbraw/zinc/42/57/58/525425758.db2.gz YPLZYJNIVVHAGK-OAQYLSRUSA-N 0 0 431.554 4.460 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000035826273 525441559 /nfs/dbraw/zinc/44/15/59/525441559.db2.gz RVABEOPNBPVANZ-XMMPIXPASA-N 0 0 427.504 4.451 50 0 IIAARN COc1ccc([C@]2(C)NC(=O)N(CCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1OC ZINC000017482748 525445726 /nfs/dbraw/zinc/44/57/26/525445726.db2.gz RHSVFFCAZYZMLV-VWLOTQADSA-N 0 0 440.540 4.237 50 0 IIAARN Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCc4ccco4)c3)s2)cc1 ZINC000033027764 525450486 /nfs/dbraw/zinc/45/04/86/525450486.db2.gz YBNUNBGDIPVJSK-UHFFFAOYSA-N 0 0 448.504 4.201 50 0 IIAARN Cc1cc([C@@H](C)NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c(C)s1 ZINC000065479920 525457400 /nfs/dbraw/zinc/45/74/00/525457400.db2.gz GYOTZBMMZQMZLN-CQSZACIVSA-N 0 0 439.562 4.417 50 0 IIAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCCc3ccc(SC)cc3)o2)cc1 ZINC000020515037 525474726 /nfs/dbraw/zinc/47/47/26/525474726.db2.gz VLIPCYOZVJSCEH-LJAQVGFWSA-N 0 0 429.563 4.290 50 0 IIAARN Cc1cccn2cc(COc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc12 ZINC000022380590 525474790 /nfs/dbraw/zinc/47/47/90/525474790.db2.gz PODUASCLQGWGNJ-UHFFFAOYSA-N 0 0 440.547 4.180 50 0 IIAARN COc1ccc2[nH]c(CCN(C)Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2c1 ZINC000020600816 525481883 /nfs/dbraw/zinc/48/18/83/525481883.db2.gz SQIZDIKJDPYMOJ-UHFFFAOYSA-N 0 0 431.418 4.315 50 0 IIAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000015697154 525485208 /nfs/dbraw/zinc/48/52/08/525485208.db2.gz XSVRBILHBVCBIC-KRWDZBQOSA-N 0 0 428.579 4.175 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000012904744 525493289 /nfs/dbraw/zinc/49/32/89/525493289.db2.gz ZYVVLBPKRXSKAN-UHFFFAOYSA-N 0 0 441.578 4.110 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012340478 525494162 /nfs/dbraw/zinc/49/41/62/525494162.db2.gz VKUKFPBGCBSQRC-UHFFFAOYSA-N 0 0 439.537 4.468 50 0 IIAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738593 525494393 /nfs/dbraw/zinc/49/43/93/525494393.db2.gz FOQSFQXQVVFSFM-RUZDIDTESA-N 0 0 429.520 4.273 50 0 IIAARN Cc1cc([C@H](C)NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c(C)s1 ZINC000065479924 525514067 /nfs/dbraw/zinc/51/40/67/525514067.db2.gz GYOTZBMMZQMZLN-AWEZNQCLSA-N 0 0 439.562 4.417 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c(C)c1 ZINC000035399317 525524507 /nfs/dbraw/zinc/52/45/07/525524507.db2.gz UYJAZXGAMGOLED-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2cccs2)cc1 ZINC000020851329 525552072 /nfs/dbraw/zinc/55/20/72/525552072.db2.gz OJLKMBJLSIZUGS-QFIPXVFZSA-N 0 0 440.590 4.051 50 0 IIAARN Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034715802 525552441 /nfs/dbraw/zinc/55/24/41/525552441.db2.gz NUCQBUOBZMOAPQ-PMACEKPBSA-N 0 0 429.511 4.113 50 0 IIAARN Cc1c(C(=O)N(C)CCc2ccccn2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000012243086 525556711 /nfs/dbraw/zinc/55/67/11/525556711.db2.gz KINRNOFGNWPQGG-FGTMMUONSA-N 0 0 433.581 4.334 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1C ZINC000035510631 525576992 /nfs/dbraw/zinc/57/69/92/525576992.db2.gz FFMFSOXSTTUYIO-UHFFFAOYSA-N 0 0 438.524 4.124 50 0 IIAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCn1c(=O)oc2ccccc21 ZINC000018699783 525608926 /nfs/dbraw/zinc/60/89/26/525608926.db2.gz BDLOLEXJFJKSBO-UHFFFAOYSA-N 0 0 430.439 4.386 50 0 IIAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ncnc(NC[C@@H]3CCCO3)c12 ZINC000011908816 525617937 /nfs/dbraw/zinc/61/79/37/525617937.db2.gz DAEVMQFAAROEEE-INIZCTEOSA-N 0 0 430.961 4.217 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C3=O ZINC000021857399 525643274 /nfs/dbraw/zinc/64/32/74/525643274.db2.gz PKLKDWHPKFVQCJ-MHZLTWQESA-N 0 0 445.563 4.432 50 0 IIAARN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000020938200 525662882 /nfs/dbraw/zinc/66/28/82/525662882.db2.gz WTJRYFFHIRSDKU-UHFFFAOYSA-N 0 0 439.313 4.143 50 0 IIAARN Cc1cc2nc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)c(=O)[nH]c2cc1C ZINC000015869333 525676900 /nfs/dbraw/zinc/67/69/00/525676900.db2.gz NWWHCHZAGWLLAF-UHFFFAOYSA-N 0 0 441.513 4.075 50 0 IIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccco2)n(C)c(=O)n(C)c3=O)cc1 ZINC000021524890 525712422 /nfs/dbraw/zinc/71/24/22/525712422.db2.gz YQNDSMXLOJONDL-NRFANRHFSA-N 0 0 438.487 4.111 50 0 IIAARN Cc1c(Cl)cccc1-n1ccnc1S[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020974199 525750841 /nfs/dbraw/zinc/75/08/41/525750841.db2.gz WGSRMWVWUWFBDK-GFCCVEGCSA-N 0 0 427.917 4.123 50 0 IIAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCCN(C)c4ccccc4)C3)nn2)cc1 ZINC000035398143 525752012 /nfs/dbraw/zinc/75/20/12/525752012.db2.gz KHVSGIRCGDODIZ-HSZRJFAPSA-N 0 0 443.595 4.311 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659312 525769024 /nfs/dbraw/zinc/76/90/24/525769024.db2.gz BEXOFWDGIUVPKL-UHFFFAOYSA-N 0 0 429.885 4.267 50 0 IIAARN Cc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000032975299 525796240 /nfs/dbraw/zinc/79/62/40/525796240.db2.gz MESRJQCIONDVOC-UHFFFAOYSA-N 0 0 430.464 4.394 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccco1 ZINC000021865561 525804029 /nfs/dbraw/zinc/80/40/29/525804029.db2.gz FXKNIUUYTFKVDS-SANMLTNESA-N 0 0 443.503 4.115 50 0 IIAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000012442322 525832310 /nfs/dbraw/zinc/83/23/10/525832310.db2.gz FCDLROLZHMQFAY-UHFFFAOYSA-N 0 0 434.477 4.294 50 0 IIAARN COc1cccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)c1 ZINC000014389788 525839076 /nfs/dbraw/zinc/83/90/76/525839076.db2.gz KRBGQVSCFFLVMM-UHFFFAOYSA-N 0 0 436.533 4.457 50 0 IIAARN Cc1ccc(-c2nn3c(nc(CNC(=O)c4ccc(C(C)(C)C)cc4)cc3=O)s2)cc1 ZINC000041089849 525843644 /nfs/dbraw/zinc/84/36/44/525843644.db2.gz ZWTAMJGULGYENB-UHFFFAOYSA-N 0 0 432.549 4.354 50 0 IIAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(F)cc4)n3)o2)cc1 ZINC000021721559 525857828 /nfs/dbraw/zinc/85/78/28/525857828.db2.gz LLUKVQLJTWTDOE-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)[C@H](C)O3)c1 ZINC000035884622 525875060 /nfs/dbraw/zinc/87/50/60/525875060.db2.gz NPHZFMKERPCWEW-KRWDZBQOSA-N 0 0 448.494 4.325 50 0 IIAARN C[C@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000021229672 525890644 /nfs/dbraw/zinc/89/06/44/525890644.db2.gz MNFGYOZHDQQFBX-LBPRGKRZSA-N 0 0 446.381 4.248 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3c2nc[nH]c3=O)cc1 ZINC000012462121 525899525 /nfs/dbraw/zinc/89/95/25/525899525.db2.gz UVAPBMOKYLJOGU-UHFFFAOYSA-N 0 0 433.537 4.271 50 0 biogenic,in-vitro IIAARN Cc1c([C@@H](C)NCc2ccc(Sc3nncn3C)o2)cnn1-c1ccc(F)cc1F ZINC000012459786 525900072 /nfs/dbraw/zinc/90/00/72/525900072.db2.gz FKCKEWOCEZHDCZ-GFCCVEGCSA-N 0 0 430.484 4.182 50 0 IIAARN COc1cccc(CN(C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1OC ZINC000012911301 525914200 /nfs/dbraw/zinc/91/42/00/525914200.db2.gz OFQUJCXGMVYWOF-UHFFFAOYSA-N 0 0 432.520 4.395 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(C)nc3NCCNC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000036025887 525933820 /nfs/dbraw/zinc/93/38/20/525933820.db2.gz NWMHHKZRCQMSJJ-UHFFFAOYSA-N 0 0 434.931 4.236 50 0 IIAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)c2ccccc2)c1 ZINC000036040811 525955401 /nfs/dbraw/zinc/95/54/01/525955401.db2.gz FFTBLQVKCODTOU-XMMPIXPASA-N 0 0 446.547 4.242 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020683126 525962184 /nfs/dbraw/zinc/96/21/84/525962184.db2.gz SXPBXNVPPZHGOS-RZQQEMMASA-N 0 0 432.586 4.470 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)c1 ZINC000015065468 525967281 /nfs/dbraw/zinc/96/72/81/525967281.db2.gz UGTIJLWEIQCMST-INIZCTEOSA-N 0 0 432.923 4.437 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CSc3ccccc3)C2)c1 ZINC000012074402 525968172 /nfs/dbraw/zinc/96/81/72/525968172.db2.gz PNXWBVRPCSEUOB-IBGZPJMESA-N 0 0 426.582 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/nfs/dbraw/zinc/11/03/96/527110396.db2.gz CCQQNCGVDIQWNG-ZDUSSCGKSA-N 0 0 432.489 4.339 50 0 IIAARN O=C(Nc1cc(F)ccc1F)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000012649611 527126031 /nfs/dbraw/zinc/12/60/31/527126031.db2.gz NDOKLMYXQLTYLT-ORMMXULVSA-N 0 0 437.288 4.253 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)ccc2s1 ZINC000017144139 527129244 /nfs/dbraw/zinc/12/92/44/527129244.db2.gz CNXKFOXTTHVZLO-CQSZACIVSA-N 0 0 429.567 4.278 50 0 IIAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 ZINC000012218095 527147162 /nfs/dbraw/zinc/14/71/62/527147162.db2.gz IJHLFJLSXIQQAE-JOCHJYFZSA-N 0 0 439.519 4.235 50 0 IIAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000021917276 527181833 /nfs/dbraw/zinc/18/18/33/527181833.db2.gz ZSITXRRDUHIERS-UHFFFAOYSA-N 0 0 441.531 4.470 50 0 IIAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1cccc(Cl)c1 ZINC000035481669 527220133 /nfs/dbraw/zinc/22/01/33/527220133.db2.gz JMIJHDCFTHAKEF-UHFFFAOYSA-N 0 0 439.968 4.453 50 0 IIAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc2ccccc2c1 ZINC000020614898 527220588 /nfs/dbraw/zinc/22/05/88/527220588.db2.gz QHLRABBGEIJTNJ-UHFFFAOYSA-N 0 0 434.546 4.132 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 ZINC000021717788 527222506 /nfs/dbraw/zinc/22/25/06/527222506.db2.gz XCYIORWHOBUAJJ-UHFFFAOYSA-N 0 0 436.903 4.109 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575506 527254127 /nfs/dbraw/zinc/25/41/27/527254127.db2.gz NBGKHTJHFKJVTK-UHFFFAOYSA-N 0 0 434.521 4.143 50 0 IIAARN O=C(Cc1cccc2ccccc21)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000012211581 527272270 /nfs/dbraw/zinc/27/22/70/527272270.db2.gz DDHFHZOLBHQAEA-RUZDIDTESA-N 0 0 441.575 4.155 50 0 IIAARN O=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399315 527273107 /nfs/dbraw/zinc/27/31/07/527273107.db2.gz MVHSIHSUPFXPPW-UHFFFAOYSA-N 0 0 437.949 4.437 50 0 biogenic IIAARN O=S(=O)(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000021524109 527276493 /nfs/dbraw/zinc/27/64/93/527276493.db2.gz CQKQKQXGAGHCAC-UHFFFAOYSA-N 0 0 432.864 4.180 50 0 IIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)NC1CCCCC1 ZINC000022503725 527281413 /nfs/dbraw/zinc/28/14/13/527281413.db2.gz RLWKCWMAGDXGPL-UHFFFAOYSA-N 0 0 431.533 4.421 50 0 IIAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000012846354 527296994 /nfs/dbraw/zinc/29/69/94/527296994.db2.gz JXHUWGFLQKUPEW-LJQANCHMSA-N 0 0 444.940 4.203 50 0 IIAARN O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000024085439 527317449 /nfs/dbraw/zinc/31/74/49/527317449.db2.gz MVMCRBNECSGPFI-OAQYLSRUSA-N 0 0 431.513 4.455 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012755860 527345118 /nfs/dbraw/zinc/34/51/18/527345118.db2.gz LRFPDFGEPSIFRC-UHFFFAOYSA-N 0 0 432.954 4.401 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCCc1ccc(Br)s1 ZINC000012547626 527359918 /nfs/dbraw/zinc/35/99/18/527359918.db2.gz ZNXRWVJIOROXGS-UHFFFAOYSA-N 0 0 432.265 4.238 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000021599058 527362202 /nfs/dbraw/zinc/36/22/02/527362202.db2.gz OAKRJZSHWMPBIN-UHFFFAOYSA-N 0 0 426.778 4.223 50 0 IIAARN O=C(Nc1cccc2ncccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012688418 527388142 /nfs/dbraw/zinc/38/81/42/527388142.db2.gz FIWGEBWYECVOKK-UHFFFAOYSA-N 0 0 429.501 4.239 50 0 IIAARN O=C(Nc1ccccc1I)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012892169 527424920 /nfs/dbraw/zinc/42/49/20/527424920.db2.gz BLJCUDZLDILJFS-UHFFFAOYSA-N 0 0 440.668 4.324 50 0 IIAARN Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1Cl ZINC000021763152 527431562 /nfs/dbraw/zinc/43/15/62/527431562.db2.gz IHRJYJSNOQRMJM-UHFFFAOYSA-N 0 0 427.046 4.212 50 0 IIAARN O=c1[nH]c(CSc2nnc(COc3ccccc3Cl)n2C2CC2)nc2ccccc12 ZINC000012597461 527440631 /nfs/dbraw/zinc/44/06/31/527440631.db2.gz GFXFBNYLYMNEGQ-UHFFFAOYSA-N 0 0 439.928 4.374 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000021864357 527453582 /nfs/dbraw/zinc/45/35/82/527453582.db2.gz YCCKDHBZTCTAKM-FQEVSTJZSA-N 0 0 440.334 4.491 50 0 IIAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCCN1CCOCC1 ZINC000021555060 527467426 /nfs/dbraw/zinc/46/74/26/527467426.db2.gz CIFMSJRDMICBPG-UHFFFAOYSA-N 0 0 447.963 4.204 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)nc(NCCNC(=O)c3ccc(F)cc3)c12 ZINC000036027645 527524126 /nfs/dbraw/zinc/52/41/26/527524126.db2.gz QOUZVERPLXFNDP-UHFFFAOYSA-N 0 0 444.514 4.291 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000012780827 527538760 /nfs/dbraw/zinc/53/87/60/527538760.db2.gz YBBXAEQYYXUARG-ZDUSSCGKSA-N 0 0 426.314 4.312 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)NCc1cccc(C)c1)CCS2 ZINC000021636455 527552876 /nfs/dbraw/zinc/55/28/76/527552876.db2.gz ILWSUYZEFVZQAT-UHFFFAOYSA-N 0 0 434.565 4.024 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(NCCNC(=O)c3ccccc3Cl)c12 ZINC000036027661 527554879 /nfs/dbraw/zinc/55/48/79/527554879.db2.gz ADNHIBLZEYMKCZ-UHFFFAOYSA-N 0 0 446.942 4.497 50 0 IIAARN Nc1nc(N)nc(CSc2nnc(Cc3cccc4ccccc43)n2C2CCCCC2)n1 ZINC000012697376 527555103 /nfs/dbraw/zinc/55/51/03/527555103.db2.gz VSHNOYHXYRYJAV-UHFFFAOYSA-N 0 0 446.584 4.169 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(NCCNC(=O)c3cccc(F)c3)c12 ZINC000036000366 527566144 /nfs/dbraw/zinc/56/61/44/527566144.db2.gz IAIICLCXOJBASP-UHFFFAOYSA-N 0 0 438.894 4.067 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000021660710 527571466 /nfs/dbraw/zinc/57/14/66/527571466.db2.gz VITGOYMCNZIRKK-ZDUSSCGKSA-N 0 0 440.276 4.433 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000021660682 527571471 /nfs/dbraw/zinc/57/14/71/527571471.db2.gz HRYBLIJZQJVCSK-LBPRGKRZSA-N 0 0 440.276 4.433 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1ccc(C)c(C)c1)CC(=O)N2 ZINC000021726753 527574724 /nfs/dbraw/zinc/57/47/24/527574724.db2.gz QQQTZXFJUAZKSU-IBGZPJMESA-N 0 0 428.471 4.263 50 0 IIAARN O=C(/C=C/c1ccc(Br)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012802192 527604782 /nfs/dbraw/zinc/60/47/82/527604782.db2.gz ZNGOMDJXUHWRSW-DHZHZOJOSA-N 0 0 427.342 4.017 50 0 IIAARN O=C(NCC1CCCCC1)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000035458202 527606864 /nfs/dbraw/zinc/60/68/64/527606864.db2.gz BKOHESAPWYBROF-DEOSSOPVSA-N 0 0 445.563 4.148 50 0 IIAARN O=C(NCC1CCCCC1)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458196 527607372 /nfs/dbraw/zinc/60/73/72/527607372.db2.gz BKOHESAPWYBROF-XMMPIXPASA-N 0 0 445.563 4.148 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009192661 527633102 /nfs/dbraw/zinc/63/31/02/527633102.db2.gz NXOXFCMTARVXMU-GIDUJCDVSA-N 0 0 429.495 4.440 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H](C)Cn3ccc(C(F)(F)F)n3)c12 ZINC000036616613 527682784 /nfs/dbraw/zinc/68/27/84/527682784.db2.gz QSLOOADKAIUVCO-NSHDSACASA-N 0 0 448.474 4.039 50 0 IIAARN CCOC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCOCC1 ZINC000009907785 535678633 /nfs/dbraw/zinc/67/86/33/535678633.db2.gz DAFLBCIZMJAJAM-UHFFFAOYSA-N 0 0 444.531 4.471 50 0 IIAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)CSCc4ccccc4)CC3)nn2)cc1 ZINC000013657908 535692953 /nfs/dbraw/zinc/69/29/53/535692953.db2.gz QKWUZSHVODEKRD-UHFFFAOYSA-N 0 0 448.592 4.124 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000009406080 536116839 /nfs/dbraw/zinc/11/68/39/536116839.db2.gz NVHHQIPTRWDTQH-QFIPXVFZSA-N 0 0 435.568 4.163 50 0 IIAARN COC(=O)c1ccc(N2C(=O)Cc3cc(OC)c(OC)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008612758 536728069 /nfs/dbraw/zinc/72/80/69/536728069.db2.gz OHDMMNSWLUBHHX-DEOSSOPVSA-N 0 0 435.451 4.308 50 0 IIAARN COc1ccccc1N1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009601638 537064497 /nfs/dbraw/zinc/06/44/97/537064497.db2.gz CWWXETVYDUZCOT-UHFFFAOYSA-N 0 0 432.520 4.002 50 0 IIAARN COc1ccccc1N1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 ZINC000014154478 537065265 /nfs/dbraw/zinc/06/52/65/537065265.db2.gz WHDQEEIIXINBMS-UHFFFAOYSA-N 0 0 435.387 4.040 50 0 IIAARN Cc1ccc(-c2csc(N(C(=O)CSc3nnnn3C)c3cccc(C)c3)n2)cc1 ZINC000009056764 555507728 /nfs/dbraw/zinc/50/77/28/555507728.db2.gz DPDJJIKBKCGRKS-UHFFFAOYSA-N 0 0 436.566 4.407 50 0 IIAARN Cc1ccc([C@H](NC(=O)CSc2nnc(-c3ccncc3)n2C)c2cccs2)cc1 ZINC000009054220 555507792 /nfs/dbraw/zinc/50/77/92/555507792.db2.gz PEGVJQIPYAZVSM-FQEVSTJZSA-N 0 0 435.578 4.245 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000009128111 555509710 /nfs/dbraw/zinc/50/97/10/555509710.db2.gz MSEUCXCKYGLYQQ-UHFFFAOYSA-N 0 0 427.353 4.341 50 0 IIAARN CC(C)(C)c1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000000630528 555514673 /nfs/dbraw/zinc/51/46/73/555514673.db2.gz LCROMFQZYPODPZ-UHFFFAOYSA-N 0 0 433.537 4.137 50 0 IIAARN CCOC(=O)c1sc(NC(=O)COc2cccc(Cl)c2)c(C(=O)OCC)c1C ZINC000000633828 555516083 /nfs/dbraw/zinc/51/60/83/555516083.db2.gz UNVKQZFANVBTHH-UHFFFAOYSA-N 0 0 425.890 4.081 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000000636799 555517016 /nfs/dbraw/zinc/51/70/16/555517016.db2.gz CJOYUCIGMRTPAW-GFCCVEGCSA-N 0 0 433.526 4.328 50 0 IIAARN O=C(Nc1ccc(I)cc1C(=O)NCc1ccccc1)c1ccco1 ZINC000000644224 555519842 /nfs/dbraw/zinc/51/98/42/555519842.db2.gz IZVBGUGZDQXLKY-UHFFFAOYSA-N 0 0 446.244 4.067 50 0 IIAARN COc1cccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)c1 ZINC000000645568 555520466 /nfs/dbraw/zinc/52/04/66/555520466.db2.gz QRXOYKBZTZLCOD-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000000645651 555520479 /nfs/dbraw/zinc/52/04/79/555520479.db2.gz FUWZCMPEHQGFFP-UHFFFAOYSA-N 0 0 445.493 4.058 50 0 IIAARN Cc1cc(I)ccc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000000666893 555528978 /nfs/dbraw/zinc/52/89/78/555528978.db2.gz KMWFDKWPDHAWBG-UHFFFAOYSA-N 0 0 436.274 4.473 50 0 IIAARN C[C@@H](NC(=O)c1cccc(Br)c1)c1cc2c(cc1Br)OCCO2 ZINC000000668018 555529623 /nfs/dbraw/zinc/52/96/23/555529623.db2.gz GPUGWTBFASVJNL-SNVBAGLBSA-N 0 0 441.119 4.474 50 0 IIAARN COC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000000674087 555532823 /nfs/dbraw/zinc/53/28/23/555532823.db2.gz AKIFMORCHCTPSO-UHFFFAOYSA-N 0 0 443.091 4.016 50 0 IIAARN CCOc1cc(C(=O)NC(=S)Nc2cc(C)cc(C)c2O)cc(OCC)c1OCC ZINC000000678695 555536299 /nfs/dbraw/zinc/53/62/99/555536299.db2.gz MMDBMTVSGCLENS-UHFFFAOYSA-N 0 0 432.542 4.332 50 0 IIAARN Cc1cnc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)s1 ZINC000000686609 555540154 /nfs/dbraw/zinc/54/01/54/555540154.db2.gz QUUDOFVQKNSRKS-UHFFFAOYSA-N 0 0 431.587 4.322 50 0 IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000000695961 555542534 /nfs/dbraw/zinc/54/25/34/555542534.db2.gz DNAPGNWGOOJPFW-HZPDHXFCSA-N 0 0 428.554 4.372 50 0 IIAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)c1 ZINC000000708086 555545763 /nfs/dbraw/zinc/54/57/63/555545763.db2.gz NLIPJTYNAKUCKG-GMMLXXJASA-N 0 0 435.479 4.029 50 0 IIAARN O=C(Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(c1ccccc1)c1ccccc1 ZINC000000713388 555548033 /nfs/dbraw/zinc/54/80/33/555548033.db2.gz JEIDRTRHVSIQNB-NRFANRHFSA-N 0 0 440.499 4.232 50 0 IIAARN O=C(NC(=S)Nc1ccc(F)cc1)c1cc(I)ccc1Cl ZINC000000724311 555551123 /nfs/dbraw/zinc/55/11/23/555551123.db2.gz HFNZPNHTTBWMHJ-UHFFFAOYSA-N 0 0 434.661 4.211 50 0 IIAARN Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000000728050 555551880 /nfs/dbraw/zinc/55/18/80/555551880.db2.gz MOQBTTRQPCQKDZ-KRWDZBQOSA-N 0 0 442.581 4.170 50 0 IIAARN NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000000755420 555553811 /nfs/dbraw/zinc/55/38/11/555553811.db2.gz BXUWNYZRSCFWPO-UHFFFAOYSA-N 0 0 431.561 4.235 50 0 biogenic IIAARN COc1ccc(OC)c(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 ZINC000000809738 555560636 /nfs/dbraw/zinc/56/06/36/555560636.db2.gz WJCWVRGVEQSDQU-UHFFFAOYSA-N 0 0 446.503 4.262 50 0 IIAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2CC)cc1 ZINC000000813890 555561176 /nfs/dbraw/zinc/56/11/76/555561176.db2.gz JXDIGFHLKDYDDP-AWEZNQCLSA-N 0 0 431.587 4.496 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000843796 555568423 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CC1(C)Cc2nc(NC(=O)c3ccccc3I)sc2C(=O)C1 ZINC000001128532 555642844 /nfs/dbraw/zinc/64/28/44/555642844.db2.gz CDKPGKPTLHSFMC-UHFFFAOYSA-N 0 0 426.279 4.155 50 0 IIAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001134170 555646281 /nfs/dbraw/zinc/64/62/81/555646281.db2.gz LSPHZGNTYBTSAY-UHFFFAOYSA-N 0 0 449.306 4.311 50 0 IIAARN CCOc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000001137101 555647475 /nfs/dbraw/zinc/64/74/75/555647475.db2.gz NNHIITNDMZMHLF-UHFFFAOYSA-N 0 0 430.570 4.120 50 0 IIAARN COc1cc(CN(C2=NS(=O)(=O)c3ccccc32)c2ccc(Cl)cc2)ccc1O ZINC000001143348 555651527 /nfs/dbraw/zinc/65/15/27/555651527.db2.gz LLBKFKPRFUQJRF-UHFFFAOYSA-N 0 0 428.897 4.210 50 0 IIAARN CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000001145825 555653234 /nfs/dbraw/zinc/65/32/34/555653234.db2.gz YSEQMIZTXFBRTB-UHFFFAOYSA-N 0 0 444.281 4.022 50 0 IIAARN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001145902 555653313 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4.469 50 0 IIAARN CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001156667 555659299 /nfs/dbraw/zinc/65/92/99/555659299.db2.gz LUYWBCUNBIWMBO-DNQXCXABSA-N 0 0 426.516 4.407 50 0 IIAARN O=C(NCc1ccccc1)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1 ZINC000001158714 555660541 /nfs/dbraw/zinc/66/05/41/555660541.db2.gz UMVPBDKEWSMPJP-UYRXBGFRSA-N 0 0 425.282 4.129 50 0 IIAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccccc2Br)NC(=S)N1 ZINC000001162472 555662624 /nfs/dbraw/zinc/66/26/24/555662624.db2.gz FRILGEYCKVDRAV-MRXNPFEDSA-N 0 0 438.297 4.159 50 0 IIAARN COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001167213 555664765 /nfs/dbraw/zinc/66/47/65/555664765.db2.gz CTWPSYXAELNBEL-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000001167635 555664916 /nfs/dbraw/zinc/66/49/16/555664916.db2.gz JJYHHQMUXICTAX-LVMGUKCRSA-N 0 0 440.565 4.196 50 0 IIAARN COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000001170730 555666431 /nfs/dbraw/zinc/66/64/31/555666431.db2.gz TXSSHFNFZVVDHO-CLOGCQCWSA-N 0 0 437.495 4.218 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2C)cc1 ZINC000001171466 555666970 /nfs/dbraw/zinc/66/69/70/555666970.db2.gz OXMZNBAQUDDCBJ-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001197967 555677648 /nfs/dbraw/zinc/67/76/48/555677648.db2.gz PCGDIZYBUGZCQS-AWEZNQCLSA-N 0 0 437.359 4.265 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001203100 555679371 /nfs/dbraw/zinc/67/93/71/555679371.db2.gz LQORGDJXBBYHRG-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000001207918 555681299 /nfs/dbraw/zinc/68/12/99/555681299.db2.gz JEXAHZLJMUAOTI-IBGZPJMESA-N 0 0 426.472 4.063 50 0 IIAARN O=C(CCc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000001212417 555682494 /nfs/dbraw/zinc/68/24/94/555682494.db2.gz DAWVMUXZPNVSND-SFHVURJKSA-N 0 0 441.247 4.269 50 0 IIAARN O=C(CCc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001212419 555682498 /nfs/dbraw/zinc/68/24/98/555682498.db2.gz DAWVMUXZPNVSND-GOSISDBHSA-N 0 0 441.247 4.269 50 0 IIAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)OC)c3)C(=O)[C@H]12 ZINC000001213403 555683065 /nfs/dbraw/zinc/68/30/65/555683065.db2.gz PTPQOGZOTWYFRY-BAWWGMJKSA-N 0 0 437.495 4.434 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000001216740 555684294 /nfs/dbraw/zinc/68/42/94/555684294.db2.gz GMIASQIRYLLEBW-UHFFFAOYSA-N 0 0 430.342 4.047 50 0 IIAARN CN1c2ccc(Br)cc2/C(=C2/SC(=O)N(Cc3ccccc3)C2=O)C1=O ZINC000001263077 555688129 /nfs/dbraw/zinc/68/81/29/555688129.db2.gz FGEIENRYHASGPX-NXVVXOECSA-N 0 0 429.295 4.032 50 0 IIAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1)c1ccco1 ZINC000001411732 555694368 /nfs/dbraw/zinc/69/43/68/555694368.db2.gz KMFQKERCVBJMFE-UHFFFAOYSA-N 0 0 444.310 4.421 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1ccc(OC)cc1 ZINC000001439755 555697191 /nfs/dbraw/zinc/69/71/91/555697191.db2.gz OOHPSGQYZNWCSA-UHFFFAOYSA-N 0 0 430.526 4.167 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000001442082 555697838 /nfs/dbraw/zinc/69/78/38/555697838.db2.gz FOCASTXMEUOBPC-QHCPKHFHSA-N 0 0 443.503 4.370 50 0 IIAARN CCOC(=O)c1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC000001445865 555698753 /nfs/dbraw/zinc/69/87/53/555698753.db2.gz OHJPSOQWPDQSIE-MRVPVSSYSA-N 0 0 447.397 4.234 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)OC(=O)/C=C/c1ccco1)CCCC2 ZINC000001446341 555699005 /nfs/dbraw/zinc/69/90/05/555699005.db2.gz ZSZVRVBVDOASRC-LPQFERQCSA-N 0 0 431.510 4.370 50 0 IIAARN O=C(NCCSCc1cc2cccc3c2n(c1=O)CCC3)c1cc(Cl)nc(Cl)c1 ZINC000001741381 555711386 /nfs/dbraw/zinc/71/13/86/555711386.db2.gz BCQJDTSLNCFOGQ-UHFFFAOYSA-N 0 0 448.375 4.313 50 0 IIAARN CCOCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(Br)c2)cc1 ZINC000001745340 555712050 /nfs/dbraw/zinc/71/20/50/555712050.db2.gz CJGNFSVQYPDNMR-VZUCSPMQSA-N 0 0 448.313 4.303 50 0 IIAARN CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC ZINC000001771586 555713415 /nfs/dbraw/zinc/71/34/15/555713415.db2.gz DVNIMHYXTTXAQF-DNGMOHDESA-N 0 0 428.554 4.421 50 0 IIAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000001858815 555721251 /nfs/dbraw/zinc/72/12/51/555721251.db2.gz KWTUQLSILTWGSC-UHFFFAOYSA-N 0 0 433.508 4.283 50 0 IIAARN CCCOc1ccc(-c2csc3ncn(CC(=O)NCc4ccccc4)c(=O)c23)cc1 ZINC000001911988 555724494 /nfs/dbraw/zinc/72/44/94/555724494.db2.gz PLIREMAALSCLTF-UHFFFAOYSA-N 0 0 433.533 4.230 50 0 IIAARN CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c(Br)c1 ZINC000002135812 555747295 /nfs/dbraw/zinc/74/72/95/555747295.db2.gz SOYJEIRZDYTWHC-UHFFFAOYSA-N 0 0 438.343 4.366 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)c(C)c1 ZINC000002135637 555747327 /nfs/dbraw/zinc/74/73/27/555747327.db2.gz NELYRXZGSGDBEO-UHFFFAOYSA-N 0 0 445.591 4.293 50 0 IIAARN CCOc1ccccc1NC(=S)NC(=O)c1ccc(C)c(I)c1 ZINC000002137186 555747558 /nfs/dbraw/zinc/74/75/58/555747558.db2.gz YFHQOUIIZXBWSP-UHFFFAOYSA-N 0 0 440.306 4.125 50 0 IIAARN CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002183945 555754637 /nfs/dbraw/zinc/75/46/37/555754637.db2.gz GCKFUASKZZHCFE-CQSZACIVSA-N 0 0 429.369 4.099 50 0 IIAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000002184802 555754835 /nfs/dbraw/zinc/75/48/35/555754835.db2.gz IVMKBJFIYHXGNL-UHFFFAOYSA-N 0 0 425.462 4.490 50 0 IIAARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc(C)cs1)C(F)(F)F ZINC000002284212 555765303 /nfs/dbraw/zinc/76/53/03/555765303.db2.gz LPPIIVNZHNOVOX-AWEZNQCLSA-N 0 0 442.246 4.032 50 0 IIAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000002338130 555769886 /nfs/dbraw/zinc/76/98/86/555769886.db2.gz OVWQOCHKJHMDSB-UHFFFAOYSA-N 0 0 440.952 4.120 50 0 IIAARN Cc1sc2nc(SCC(=O)Nc3ccccc3Br)n(C)c(=O)c2c1C ZINC000002359156 555771642 /nfs/dbraw/zinc/77/16/42/555771642.db2.gz UDKNAMDOAFXTPW-UHFFFAOYSA-N 0 0 438.372 4.105 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2C)cc1 ZINC000002450049 555781091 /nfs/dbraw/zinc/78/10/91/555781091.db2.gz RJFSFETYKLNEGJ-UHFFFAOYSA-N 0 0 447.358 4.292 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002465596 555783221 /nfs/dbraw/zinc/78/32/21/555783221.db2.gz DGVUTVHPTQXKNM-UHFFFAOYSA-N 0 0 434.427 4.323 50 0 aggregator IIAARN Cn1c(COc2ccc(Br)cc2)c(Br)c(=O)n1-c1ccccc1 ZINC000002549913 555787294 /nfs/dbraw/zinc/78/72/94/555787294.db2.gz AALRZZCZGAKNJK-UHFFFAOYSA-N 0 0 438.119 4.280 50 0 IIAARN C[C@H](CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21)c1ccccc1 ZINC000002688107 555799030 /nfs/dbraw/zinc/79/90/30/555799030.db2.gz HNRZELNZJKMMDV-QGZVFWFLSA-N 0 0 443.532 4.326 50 0 IIAARN Cc1cccc(-n2c3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)n(C3CC3)c2=O)c1 ZINC000034693509 555808055 /nfs/dbraw/zinc/80/80/55/555808055.db2.gz KFUXQWFKNRRGQN-UHFFFAOYSA-N 0 0 428.536 4.338 50 0 IIAARN O=c1c2c(ncn2Cc2ccccc2Cl)n(-c2ccccc2Cl)c(=O)n1C1CC1 ZINC000034694099 555809156 /nfs/dbraw/zinc/80/91/56/555809156.db2.gz IPWXNFTVBSKLNP-UHFFFAOYSA-N 0 0 427.291 4.039 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)CN(C)CC2 ZINC000002750993 555810375 /nfs/dbraw/zinc/81/03/75/555810375.db2.gz GQNUBDSQPKPTIV-UHFFFAOYSA-N 0 0 447.607 4.253 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)c4ccccc4F)CC3)nc2)cc1 ZINC000034680738 555813674 /nfs/dbraw/zinc/81/36/74/555813674.db2.gz BVZUUUHSOXZSCM-UHFFFAOYSA-N 0 0 432.499 4.134 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccccc4)CC3)nc2)cc1 ZINC000034681368 555814536 /nfs/dbraw/zinc/81/45/36/555814536.db2.gz JWRFNXSIKVJNAB-UHFFFAOYSA-N 0 0 445.523 4.087 50 0 IIAARN Cc1ccc(N2CCN(C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1C ZINC000034685890 555821049 /nfs/dbraw/zinc/82/10/49/555821049.db2.gz FZQSOVWLOQEYED-QHCPKHFHSA-N 0 0 442.991 4.012 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(C)=O)CC2)C(=O)NCc1ccccn1 ZINC000034708471 555823026 /nfs/dbraw/zinc/82/30/26/555823026.db2.gz LPWKVHCGVVVKBU-FTJBHMTQSA-N 0 0 443.547 4.049 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(SCc3ccco3)sc2N2CCOCC2)cc1 ZINC000002823036 555830361 /nfs/dbraw/zinc/83/03/61/555830361.db2.gz FKFXXRIYAPMZGG-UHFFFAOYSA-N 0 0 436.580 4.006 50 0 IIAARN COC(=O)CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000002840586 555835044 /nfs/dbraw/zinc/83/50/44/555835044.db2.gz IKNKBWSBWWEHDV-UHFFFAOYSA-N 0 0 444.578 4.262 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)cc1 ZINC000002840614 555835305 /nfs/dbraw/zinc/83/53/05/555835305.db2.gz YCNVGKGUFYRTLA-UHFFFAOYSA-N 0 0 444.487 4.094 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 ZINC000002841405 555835860 /nfs/dbraw/zinc/83/58/60/555835860.db2.gz YGVWAINDXVRCEL-INIZCTEOSA-N 0 0 437.569 4.160 50 0 IIAARN COCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000002842087 555836086 /nfs/dbraw/zinc/83/60/86/555836086.db2.gz DBFFFAKHVZDGDO-UHFFFAOYSA-N 0 0 430.961 4.094 50 0 IIAARN Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=S)NCc1ccco1 ZINC000002853988 555840805 /nfs/dbraw/zinc/84/08/05/555840805.db2.gz PLQLPNMWBPJJGA-UHFFFAOYSA-N 0 0 430.402 4.323 50 0 IIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCC(=O)N1CCOCC1 ZINC000002863000 555845857 /nfs/dbraw/zinc/84/58/57/555845857.db2.gz YVKYIFRLWWPKSS-UHFFFAOYSA-N 0 0 437.323 4.100 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002866585 555847433 /nfs/dbraw/zinc/84/74/33/555847433.db2.gz VHJPMGNUJHKDBT-GOSISDBHSA-N 0 0 430.957 4.469 50 0 IIAARN CCOC(=O)[C@@](O)(c1ccc2nc(NC(=O)Nc3ccccc3)sc2c1)C(F)(F)F ZINC000002869431 555849046 /nfs/dbraw/zinc/84/90/46/555849046.db2.gz LIURNEXKLONTHV-SFHVURJKSA-N 0 0 439.415 4.253 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000002869296 555849092 /nfs/dbraw/zinc/84/90/92/555849092.db2.gz YXTSFPUPNXIGGE-UHFFFAOYSA-N 0 0 430.913 4.467 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c(C)c1 ZINC000002871140 555849643 /nfs/dbraw/zinc/84/96/43/555849643.db2.gz UTCJKACSJZMWKP-UHFFFAOYSA-N 0 0 438.505 4.394 50 0 IIAARN CCOc1cc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)ccc1OC ZINC000002874239 555851309 /nfs/dbraw/zinc/85/13/09/555851309.db2.gz WNEUHUUDKLSCLN-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccccc1Br ZINC000002880996 555855245 /nfs/dbraw/zinc/85/52/45/555855245.db2.gz RXVBMDSWBQJETM-UHFFFAOYSA-N 0 0 443.080 4.095 50 0 IIAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000002884764 555857472 /nfs/dbraw/zinc/85/74/72/555857472.db2.gz ZPEGONAFEOUJMJ-UHFFFAOYSA-N 0 0 439.265 4.089 50 0 IIAARN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000002886334 555858079 /nfs/dbraw/zinc/85/80/79/555858079.db2.gz AKZPPWVKZPJCIU-UHFFFAOYSA-N 0 0 448.591 4.319 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1 ZINC000002887258 555858733 /nfs/dbraw/zinc/85/87/33/555858733.db2.gz JPVZKLVPWVMGDU-CYBMUJFWSA-N 0 0 443.352 4.041 50 0 IIAARN COc1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002962854 555867962 /nfs/dbraw/zinc/86/79/62/555867962.db2.gz BGGBMSFVFPBZBY-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1 ZINC000002964316 555868361 /nfs/dbraw/zinc/86/83/61/555868361.db2.gz NYOKWRJRCYQABM-UHFFFAOYSA-N 0 0 448.585 4.259 50 0 IIAARN COc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccco1 ZINC000002980800 555871856 /nfs/dbraw/zinc/87/18/56/555871856.db2.gz CDEQZIKYPJLTAA-UHFFFAOYSA-N 0 0 429.885 4.321 50 0 IIAARN CC(C)(C)SCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000002989430 555874980 /nfs/dbraw/zinc/87/49/80/555874980.db2.gz RMGBLNWAZNCKCE-UHFFFAOYSA-N 0 0 441.018 4.183 50 0 IIAARN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000003004092 555878191 /nfs/dbraw/zinc/87/81/91/555878191.db2.gz LTPFIDJYTLPANT-VUFYJBQKSA-N 0 0 441.915 4.357 50 0 IIAARN Cc1ccc(C2=N/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)O2)cc1 ZINC000003016864 555880965 /nfs/dbraw/zinc/88/09/65/555880965.db2.gz ZFVOTUARAQTNBB-PXLXIMEGSA-N 0 0 433.485 4.416 50 0 IIAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000003051738 555882986 /nfs/dbraw/zinc/88/29/86/555882986.db2.gz DSWROQMTWPQDIC-INIZCTEOSA-N 0 0 446.787 4.416 50 0 IIAARN Cc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003094684 555885779 /nfs/dbraw/zinc/88/57/79/555885779.db2.gz DRUDAGNMGHPIBD-UHFFFAOYSA-N 0 0 425.554 4.333 50 0 IIAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003123272 555889310 /nfs/dbraw/zinc/88/93/10/555889310.db2.gz OQFNRRYRHDWXDG-MRXNPFEDSA-N 0 0 446.787 4.416 50 0 IIAARN O=C(N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003129970 555890181 /nfs/dbraw/zinc/89/01/81/555890181.db2.gz ZZYSDLAPCBVEJV-AWEZNQCLSA-N 0 0 427.136 4.240 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(F)c(F)c1)C(F)(F)F ZINC000003138677 555891450 /nfs/dbraw/zinc/89/14/50/555891450.db2.gz PIWBCEJLKCCRRV-KRWDZBQOSA-N 0 0 436.764 4.282 50 0 IIAARN O=C(COc1ccccc1)N1C[C@H](C(=O)NCc2ccccc2F)C[C@H](c2ccccc2)C1 ZINC000034755186 555900137 /nfs/dbraw/zinc/90/01/37/555900137.db2.gz XDBRIICGVIVPEU-XZOQPEGZSA-N 0 0 446.522 4.153 50 0 IIAARN Cc1ccsc1CN1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755487 555900364 /nfs/dbraw/zinc/90/03/64/555900364.db2.gz CFNNYEARMJFKEZ-UHFFFAOYSA-N 0 0 440.544 4.173 50 0 IIAARN COc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(C(=O)c1ccccc1)CC2 ZINC000034757687 555902299 /nfs/dbraw/zinc/90/22/99/555902299.db2.gz JAFICSLLBDXBAY-UHFFFAOYSA-N 0 0 430.508 4.076 50 0 IIAARN CC1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)c2ccco2)CC3)CC1 ZINC000034757967 555902917 /nfs/dbraw/zinc/90/29/17/555902917.db2.gz VWOUYODIYSQMEK-UHFFFAOYSA-N 0 0 436.487 4.436 50 0 IIAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034813454 555910388 /nfs/dbraw/zinc/91/03/88/555910388.db2.gz NOWMFHHLFUFLBC-UHFFFAOYSA-N 0 0 431.467 4.476 50 0 IIAARN O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cccs1)c1csc(COc2ccccc2)n1 ZINC000034905084 555919502 /nfs/dbraw/zinc/91/95/02/555919502.db2.gz PRQTXJLSVQYRHU-DLBZAZTESA-N 0 0 441.578 4.255 50 0 IIAARN CCOC(=O)CNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908668 555922069 /nfs/dbraw/zinc/92/20/69/555922069.db2.gz LNRPZIPFCKUGEZ-GOSISDBHSA-N 0 0 429.423 4.183 50 0 IIAARN Cc1ccccc1-n1nc(C(=O)NCCOc2ccccc2)nc1CCc1ccccc1 ZINC000034911916 555925109 /nfs/dbraw/zinc/92/51/09/555925109.db2.gz KRTVNUYOQDQBBJ-UHFFFAOYSA-N 0 0 426.520 4.170 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000034898231 555927911 /nfs/dbraw/zinc/92/79/11/555927911.db2.gz MGTVHKJHRLBYBJ-JJRVBVJISA-N 0 0 433.213 4.097 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)=O)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003640801 555943359 /nfs/dbraw/zinc/94/33/59/555943359.db2.gz FVEMTVHDPZAROX-NRFANRHFSA-N 0 0 436.493 4.020 50 0 IIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2c3cc(OCC)c(OCC)cc3CCN12 ZINC000003851647 555949006 /nfs/dbraw/zinc/94/90/06/555949006.db2.gz INADUCVHHONHMY-QFIPXVFZSA-N 0 0 443.931 4.391 50 0 IIAARN CC[C@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000004110843 555963405 /nfs/dbraw/zinc/96/34/05/555963405.db2.gz IWAZIUKVVBHKEO-WTOYTKOKSA-N 0 0 443.293 4.212 50 0 IIAARN COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000004289847 555983115 /nfs/dbraw/zinc/98/31/15/555983115.db2.gz JOPBXPMOGFOSFJ-OAHLLOKOSA-N 0 0 445.537 4.053 50 0 IIAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1Br ZINC000004620998 556004631 /nfs/dbraw/zinc/00/46/31/556004631.db2.gz BZLYNRGNJOUPDO-UHFFFAOYSA-N 0 0 442.342 4.256 50 0 IIAARN CCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000005096215 556032459 /nfs/dbraw/zinc/03/24/59/556032459.db2.gz NHOOXLVLAGSGSX-QHCPKHFHSA-N 0 0 426.557 4.396 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cn1 ZINC000006427773 556087341 /nfs/dbraw/zinc/08/73/41/556087341.db2.gz FUGROFZHIGWNNT-MRVPVSSYSA-N 0 0 437.064 4.399 50 0 IIAARN O=C(N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002674926 556118302 /nfs/dbraw/zinc/11/83/02/556118302.db2.gz BWLBHJSDNSHKAX-CQSZACIVSA-N 0 0 427.136 4.240 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002689593 556119714 /nfs/dbraw/zinc/11/97/14/556119714.db2.gz DUCYKDXKRRGPQB-UHFFFAOYSA-N 0 0 427.456 4.061 50 0 IIAARN COc1ccc(S(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 ZINC000002693500 556120831 /nfs/dbraw/zinc/12/08/31/556120831.db2.gz VLWNPAPZLABYLB-UHFFFAOYSA-N 0 0 441.455 4.169 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000002704327 556123564 /nfs/dbraw/zinc/12/35/64/556123564.db2.gz KPEYQKPLYNKTMJ-HSZRJFAPSA-N 0 0 441.439 4.276 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2SCC(=O)NC(C)C)cc1 ZINC000002710456 556125016 /nfs/dbraw/zinc/12/50/16/556125016.db2.gz MXVGFBBRILRXSR-UHFFFAOYSA-N 0 0 430.551 4.100 50 0 IIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)cc1 ZINC000002716384 556130800 /nfs/dbraw/zinc/13/08/00/556130800.db2.gz YPOPFFFZGSDTRU-UHFFFAOYSA-N 0 0 434.467 4.050 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)OCc1ccccc1 ZINC000002717834 556131282 /nfs/dbraw/zinc/13/12/82/556131282.db2.gz SYMOMXSDCZUSFV-UHFFFAOYSA-N 0 0 426.885 4.010 50 0 IIAARN Cc1ccn(CC2N=NC(=S)N2c2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)n1 ZINC000002730872 556134235 /nfs/dbraw/zinc/13/42/35/556134235.db2.gz CTOPDIKTBFWJOL-UHFFFAOYSA-N 0 0 448.383 4.278 50 0 IIAARN COc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1OC ZINC000002764517 556136049 /nfs/dbraw/zinc/13/60/49/556136049.db2.gz XVRAIHRUYRAJRP-UHFFFAOYSA-N 0 0 443.503 4.495 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3c(I)cnn3C)n2)cc1C ZINC000002743546 556136390 /nfs/dbraw/zinc/13/63/90/556136390.db2.gz DOMNDALWTHSNJG-UHFFFAOYSA-N 0 0 438.294 4.017 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cn(C)nc4C)cc3n2)s1 ZINC000002788581 556139064 /nfs/dbraw/zinc/13/90/64/556139064.db2.gz HPQPGKPOIKMJLG-UHFFFAOYSA-N 0 0 448.474 4.011 50 0 IIAARN CCn1ncc(NC(=O)c2ccn(COc3ccc(Br)cc3Cl)n2)c1C ZINC000002797768 556141932 /nfs/dbraw/zinc/14/19/32/556141932.db2.gz QKBRZUPAWVUQKP-UHFFFAOYSA-N 0 0 438.713 4.113 50 0 IIAARN CCOC(=O)c1cnn2c1nc(-c1ccc(OC(F)F)c(OC)c1)cc2C(F)(F)F ZINC000002800224 556142074 /nfs/dbraw/zinc/14/20/74/556142074.db2.gz CFKXKEGASFVDPN-UHFFFAOYSA-N 0 0 431.317 4.202 50 0 IIAARN COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3ccccc3Cl)n2)o1 ZINC000002796301 556145557 /nfs/dbraw/zinc/14/55/57/556145557.db2.gz AOWYRWJGLADDKA-UHFFFAOYSA-N 0 0 438.871 4.413 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnc2ccccn21 ZINC000002886842 556147489 /nfs/dbraw/zinc/14/74/89/556147489.db2.gz XPDOLRXEOIZROJ-UHFFFAOYSA-N 0 0 442.522 4.267 50 0 IIAARN CCOC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000008383518 556159102 /nfs/dbraw/zinc/15/91/02/556159102.db2.gz SJJQHPNIVKXCQL-UHFFFAOYSA-N 0 0 433.460 4.481 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O ZINC000008395956 556163069 /nfs/dbraw/zinc/16/30/69/556163069.db2.gz YULMOMGSDUEVLJ-ZRRZQRFHSA-N 0 0 442.331 4.224 50 0 IIAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1cccc(I)c1 ZINC000008431156 556170843 /nfs/dbraw/zinc/17/08/43/556170843.db2.gz NDLXUNDYJMHUIG-QUCCMNQESA-N 0 0 446.288 4.170 50 0 IIAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccc(Cl)cc1 ZINC000008437242 556173694 /nfs/dbraw/zinc/17/36/94/556173694.db2.gz SNMKDJXDGHSERY-NRFANRHFSA-N 0 0 437.931 4.092 50 0 IIAARN COc1ccccc1-c1nnc2sc(-c3ccccc3I)nn21 ZINC000008453210 556184032 /nfs/dbraw/zinc/18/40/32/556184032.db2.gz RDZSCCIBXFCPGX-UHFFFAOYSA-N 0 0 434.262 4.133 50 0 IIAARN COc1ccc(OC)c(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)c1 ZINC000008604727 556191369 /nfs/dbraw/zinc/19/13/69/556191369.db2.gz QFUTXQHSYMXCDH-UHFFFAOYSA-N 0 0 426.480 4.011 50 0 IIAARN CC(=O)N1c2ccccc2[C@]2(CC(=O)N(Cc3ccccc3)C2=O)[C@@H]1/C=C\c1ccccc1 ZINC000097411234 556198295 /nfs/dbraw/zinc/19/82/95/556198295.db2.gz JTZMAMKZGJKUDE-BTRIHABWSA-N 0 0 436.511 4.332 50 0 IIAARN Cc1cc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000008745507 556209074 /nfs/dbraw/zinc/20/90/74/556209074.db2.gz KQBNSYHGUUHDTD-GOSISDBHSA-N 0 0 443.594 4.078 50 0 IIAARN C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000008809435 556216707 /nfs/dbraw/zinc/21/67/07/556216707.db2.gz BHENUBXDCHQART-ZDUSSCGKSA-N 0 0 447.874 4.002 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915346 556232472 /nfs/dbraw/zinc/23/24/72/556232472.db2.gz TVXBNNHLJSPBRH-JJRVBVJISA-N 0 0 433.213 4.097 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915347 556232582 /nfs/dbraw/zinc/23/25/82/556232582.db2.gz TVXBNNHLJSPBRH-CKEIUWERSA-N 0 0 433.213 4.097 50 0 IIAARN CCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000008922244 556233717 /nfs/dbraw/zinc/23/37/17/556233717.db2.gz DXOBENDZEYMIKD-UHFFFAOYSA-N 0 0 449.459 4.206 50 0 IIAARN COc1ccccc1-c1nnc2sc(CCc3c(C)nn(-c4ccccc4)c3C)nn21 ZINC000009050441 556243162 /nfs/dbraw/zinc/24/31/62/556243162.db2.gz BQUCKUOAQKYXPT-UHFFFAOYSA-N 0 0 430.537 4.449 50 0 IIAARN Cc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1cccs1 ZINC000009060546 556243923 /nfs/dbraw/zinc/24/39/23/556243923.db2.gz IUUNLTJLNXMHFN-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000009144764 556249253 /nfs/dbraw/zinc/24/92/53/556249253.db2.gz YZTOYQSOIROUIO-UHFFFAOYSA-N 0 0 449.551 4.246 50 0 IIAARN CCOC(=O)c1ccc(NC(=S)N2CCC([C@@H](O)c3ccc(OCC)cc3)CC2)cc1 ZINC000009189859 556252607 /nfs/dbraw/zinc/25/26/07/556252607.db2.gz PMULKLVZAWRJJO-QFIPXVFZSA-N 0 0 442.581 4.404 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197303 556255293 /nfs/dbraw/zinc/25/52/93/556255293.db2.gz NQMKSNIPKNTQCL-MOPGFXCFSA-N 0 0 443.960 4.209 50 0 IIAARN COc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225755 556259863 /nfs/dbraw/zinc/25/98/63/556259863.db2.gz QLGLLQQFKQQJFI-XMMPIXPASA-N 0 0 434.492 4.314 50 0 IIAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000009225858 556260077 /nfs/dbraw/zinc/26/00/77/556260077.db2.gz OMCUYGVGCUFGOI-VWLOTQADSA-N 0 0 446.528 4.183 50 0 IIAARN O=C(Nc1ccccc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009236551 556264073 /nfs/dbraw/zinc/26/40/73/556264073.db2.gz WQSJWOIEDWHQJM-UXHICEINSA-N 0 0 431.496 4.482 50 0 IIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC[C@H]2C)cc1 ZINC000009236533 556264093 /nfs/dbraw/zinc/26/40/93/556264093.db2.gz AQUIQRGJVJJZAV-TYCQWZJGSA-N 0 0 449.580 4.114 50 0 IIAARN Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)cc1Br)S2 ZINC000009237869 556264374 /nfs/dbraw/zinc/26/43/74/556264374.db2.gz YOYXMQDEDWKSRG-IRXDYDNUSA-N 0 0 444.358 4.055 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000009238602 556265063 /nfs/dbraw/zinc/26/50/63/556265063.db2.gz QXDDPMCUUXPHLX-RTBURBONSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000009238903 556265078 /nfs/dbraw/zinc/26/50/78/556265078.db2.gz YWKJOPUEDILCJW-MSOLQXFVSA-N 0 0 429.933 4.036 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009238983 556265300 /nfs/dbraw/zinc/26/53/00/556265300.db2.gz GKYXPNIHRNZNBT-MOPGFXCFSA-N 0 0 443.960 4.345 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239192 556265610 /nfs/dbraw/zinc/26/56/10/556265610.db2.gz MRFSDZRIGKPFNM-RTBURBONSA-N 0 0 443.960 4.209 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239195 556265632 /nfs/dbraw/zinc/26/56/32/556265632.db2.gz MRFSDZRIGKPFNM-OALUTQOASA-N 0 0 443.960 4.209 50 0 IIAARN COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 ZINC000009243550 556266964 /nfs/dbraw/zinc/26/69/64/556266964.db2.gz CQNIUSCTDBDAOQ-OAQYLSRUSA-N 0 0 427.888 4.031 50 0 IIAARN COc1cc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc(OC)c1 ZINC000009243810 556267013 /nfs/dbraw/zinc/26/70/13/556267013.db2.gz YEXPJSKZCRFAAF-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN CCCCOc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000013685733 556276062 /nfs/dbraw/zinc/27/60/62/556276062.db2.gz JBKUTSQZYWXFTD-UHFFFAOYSA-N 0 0 435.524 4.319 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013686956 556276687 /nfs/dbraw/zinc/27/66/87/556276687.db2.gz PJSGQZUCECAXAU-UHFFFAOYSA-N 0 0 437.805 4.032 50 0 IIAARN O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 ZINC000013690706 556280012 /nfs/dbraw/zinc/28/00/12/556280012.db2.gz MFWVBJGEWPYGIP-UHFFFAOYSA-N 0 0 440.894 4.484 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)cc1 ZINC000009392145 556287512 /nfs/dbraw/zinc/28/75/12/556287512.db2.gz AEARWLUTUOZVDZ-LJQANCHMSA-N 0 0 443.525 4.250 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccc(Cl)c1 ZINC000009498437 556295122 /nfs/dbraw/zinc/29/51/22/556295122.db2.gz KBBFQIVJJGBCPT-UHFFFAOYSA-N 0 0 430.917 4.136 50 0 IIAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCCC3)c1ccccc1 ZINC000013732537 556296151 /nfs/dbraw/zinc/29/61/51/556296151.db2.gz SVNMUBAYJMJXJF-UHFFFAOYSA-N 0 0 430.489 4.127 50 0 IIAARN Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000013733542 556296793 /nfs/dbraw/zinc/29/67/93/556296793.db2.gz MFJOXSBJYXNURK-HAHDFKILSA-N 0 0 427.479 4.405 50 0 IIAARN Cc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000009526531 556297027 /nfs/dbraw/zinc/29/70/27/556297027.db2.gz ZOLKNKMRDHFLNY-UHFFFAOYSA-N 0 0 428.583 4.379 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(C(F)(F)F)c1 ZINC000013736576 556297788 /nfs/dbraw/zinc/29/77/88/556297788.db2.gz JRAYTHHUFRFOOJ-UHFFFAOYSA-N 0 0 431.414 4.159 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000032741072 556302449 /nfs/dbraw/zinc/30/24/49/556302449.db2.gz UGTHACZQEZRTBH-KRWDZBQOSA-N 0 0 433.430 4.436 50 0 IIAARN O=C(COc1ccccc1C(=O)NCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000009614275 556303579 /nfs/dbraw/zinc/30/35/79/556303579.db2.gz LBTCUXUOBUAHKH-UHFFFAOYSA-N 0 0 432.564 4.123 50 0 IIAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(N(C[C@@H](C)O)C[C@H](C)O)n1)CCC4 ZINC000013768443 556304273 /nfs/dbraw/zinc/30/42/73/556304273.db2.gz YCPXSZSFCPJGAL-BETUJISGSA-N 0 0 446.642 4.142 50 0 IIAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000032744796 556305285 /nfs/dbraw/zinc/30/52/85/556305285.db2.gz JKYAAUWQIFUBCD-UHFFFAOYSA-N 0 0 431.521 4.074 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000009669102 556305516 /nfs/dbraw/zinc/30/55/16/556305516.db2.gz MNUXXJBOZUNDBN-LFIBNONCSA-N 0 0 441.531 4.066 50 0 IIAARN CCOc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1S(=O)(=O)N1CCCC1 ZINC000032738188 556307485 /nfs/dbraw/zinc/30/74/85/556307485.db2.gz CXVBTWBJAZKKBY-UHFFFAOYSA-N 0 0 448.541 4.476 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32c3cc(C)ccc3N(C)C2=O)cc1 ZINC000013785733 556308797 /nfs/dbraw/zinc/30/87/97/556308797.db2.gz HHFCVIJJMXIHEJ-BVAGGSTKSA-N 0 0 425.488 4.377 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032750234 556312579 /nfs/dbraw/zinc/31/25/79/556312579.db2.gz FUNFTJHOZWMGNQ-UHFFFAOYSA-N 0 0 438.574 4.285 50 0 IIAARN COc1ccc([C@@H]2O[C@@H](COc3ccccc3)CN(C(=O)c3ccccc3)O2)cc1OC ZINC000009861056 556314225 /nfs/dbraw/zinc/31/42/25/556314225.db2.gz NQYXMOXPXHHFKA-PXDATVDWSA-N 0 0 435.476 4.254 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2C)c2ccccc23)cc1 ZINC000009908845 556316371 /nfs/dbraw/zinc/31/63/71/556316371.db2.gz LVVFMUJOPODBQI-UHFFFAOYSA-N 0 0 429.505 4.471 50 0 IIAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3cccnc3)C2=O)c1 ZINC000009933964 556317276 /nfs/dbraw/zinc/31/72/76/556317276.db2.gz KKWZWUDWGDFZJH-OAQYLSRUSA-N 0 0 448.910 4.410 50 0 IIAARN COc1cccc(CNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)c1 ZINC000013839163 556317542 /nfs/dbraw/zinc/31/75/42/556317542.db2.gz UKANXRPLJZNVPZ-RUZDIDTESA-N 0 0 425.488 4.038 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000009934191 556317810 /nfs/dbraw/zinc/31/78/10/556317810.db2.gz VIGQVFHUXDLAQN-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN C[C@H]1Cc2ccccc2N1c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000009970194 556319163 /nfs/dbraw/zinc/31/91/63/556319163.db2.gz QNKDKDLFOABFFN-INIZCTEOSA-N 0 0 441.516 4.193 50 0 IIAARN CC(C)(C)c1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)n1 ZINC000032760018 556320119 /nfs/dbraw/zinc/32/01/19/556320119.db2.gz NALJAFMNDQJMEK-CYBMUJFWSA-N 0 0 434.949 4.202 50 0 IIAARN O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1csc(COc2ccc(F)cc2)n1 ZINC000032776916 556326888 /nfs/dbraw/zinc/32/68/88/556326888.db2.gz FERKEEQYQTYBCV-UHFFFAOYSA-N 0 0 440.496 4.274 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(Cl)cc2C)cc1 ZINC000013894577 556328233 /nfs/dbraw/zinc/32/82/33/556328233.db2.gz QBQJAOUPNKIRJB-UHFFFAOYSA-N 0 0 432.929 4.062 50 0 IIAARN COc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000010273884 556329017 /nfs/dbraw/zinc/32/90/17/556329017.db2.gz NNEHANHDWYEIHT-UHFFFAOYSA-N 0 0 443.503 4.270 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 ZINC000010316065 556330839 /nfs/dbraw/zinc/33/08/39/556330839.db2.gz HWSYXTJXQVJBLH-UHFFFAOYSA-N 0 0 431.517 4.434 50 0 IIAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000032777948 556331264 /nfs/dbraw/zinc/33/12/64/556331264.db2.gz WZYAEAPIOSWLPK-UHFFFAOYSA-N 0 0 433.917 4.434 50 0 IIAARN O=C1CSC(Nc2c(Br)cc(Br)cc2Br)=N1 ZINC000013915059 556332228 /nfs/dbraw/zinc/33/22/28/556332228.db2.gz BNIGZHDHZBRRNE-UHFFFAOYSA-N 0 0 428.931 4.015 50 0 IIAARN CNS(=O)(=O)c1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1C ZINC000032768849 556333485 /nfs/dbraw/zinc/33/34/85/556333485.db2.gz TYQXGNIMIQSFNX-UHFFFAOYSA-N 0 0 435.958 4.241 50 0 IIAARN COc1ccc([C@@H]2CCCN2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768768 556333552 /nfs/dbraw/zinc/33/35/52/556333552.db2.gz HGWDSBCBJGIBTH-QHCPKHFHSA-N 0 0 447.535 4.018 50 0 IIAARN O=C(CCSc1nc2ccccc2s1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000032769034 556333818 /nfs/dbraw/zinc/33/38/18/556333818.db2.gz LKAHADCPRRIRRO-UHFFFAOYSA-N 0 0 439.606 4.334 50 0 IIAARN O=c1[nH]c2ccccc2cc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000032769258 556334071 /nfs/dbraw/zinc/33/40/71/556334071.db2.gz ANTRVRBCKHFTIH-HSZRJFAPSA-N 0 0 425.444 4.024 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc12 ZINC000032771109 556334736 /nfs/dbraw/zinc/33/47/36/556334736.db2.gz DEUDBJGXACTPMF-LBPRGKRZSA-N 0 0 442.445 4.281 50 0 IIAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032772722 556335678 /nfs/dbraw/zinc/33/56/78/556335678.db2.gz BWSAMBZBNYDEKT-LJQANCHMSA-N 0 0 430.533 4.320 50 0 IIAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCn2ccnc2CC)C1 ZINC000011664388 556345359 /nfs/dbraw/zinc/34/53/59/556345359.db2.gz CHRADXZPIFOFMY-RUZDIDTESA-N 0 0 425.573 4.030 50 0 IIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(C(=O)N3CCCCCC3)CC2)o1 ZINC000014019690 556356279 /nfs/dbraw/zinc/35/62/79/556356279.db2.gz BRGDSJNJCASYFH-UHFFFAOYSA-N 0 0 449.555 4.315 50 0 IIAARN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000011813350 556356835 /nfs/dbraw/zinc/35/68/35/556356835.db2.gz CAWMYVAQUZRTOE-SFHVURJKSA-N 0 0 425.916 4.201 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)c(C)c1 ZINC000011818946 556361128 /nfs/dbraw/zinc/36/11/28/556361128.db2.gz WBAOPIDDUGZNLN-SFHVURJKSA-N 0 0 426.561 4.196 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)cc1 ZINC000014075325 556361323 /nfs/dbraw/zinc/36/13/23/556361323.db2.gz SYIIDLKHDFOOOT-IAGOWNOFSA-N 0 0 440.569 4.385 50 0 IIAARN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000011819475 556361569 /nfs/dbraw/zinc/36/15/69/556361569.db2.gz IZMQXPGMWIAQGI-AREMUKBSSA-N 0 0 431.536 4.291 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C ZINC000014095467 556367119 /nfs/dbraw/zinc/36/71/19/556367119.db2.gz HFDUSVDJKUKTPP-BBRMVZONSA-N 0 0 427.482 4.093 50 0 IIAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000014110768 556369386 /nfs/dbraw/zinc/36/93/86/556369386.db2.gz OBLICONOCCCLCL-UHFFFAOYSA-N 0 0 427.482 4.077 50 0 IIAARN CCN1CCN(C(=O)[C@@H](C)Sc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000014112693 556370157 /nfs/dbraw/zinc/37/01/57/556370157.db2.gz ODRYPMIDOWUECY-MRXNPFEDSA-N 0 0 426.611 4.311 50 0 IIAARN Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1Cc2cccc(-c3nc(C)cnc3C)c2O1 ZINC000011882362 556373624 /nfs/dbraw/zinc/37/36/24/556373624.db2.gz JAOTYCVIQZDION-LJQANCHMSA-N 0 0 426.520 4.213 50 0 IIAARN Cc1cc(-c2ccccc2)nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 ZINC000014129407 556374448 /nfs/dbraw/zinc/37/44/48/556374448.db2.gz NNTQEUBVYWVBHY-ZDUSSCGKSA-N 0 0 438.578 4.220 50 0 IIAARN C[C@H]1CCN(C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c2ccccc2S1 ZINC000014138703 556375817 /nfs/dbraw/zinc/37/58/17/556375817.db2.gz HVWLKCIWBLFTTP-KRWDZBQOSA-N 0 0 444.000 4.015 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)no1 ZINC000014161375 556378581 /nfs/dbraw/zinc/37/85/81/556378581.db2.gz AUMJNIDMJXQADM-OAHLLOKOSA-N 0 0 432.432 4.249 50 0 IIAARN O=C1c2cccc3cccc(c23)N1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014181363 556382473 /nfs/dbraw/zinc/38/24/73/556382473.db2.gz RUDDWWQYHJLMON-UHFFFAOYSA-N 0 0 426.442 4.384 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000011990372 556383923 /nfs/dbraw/zinc/38/39/23/556383923.db2.gz HNISHCOAQQPVDG-BWKNWUBXSA-N 0 0 445.450 4.192 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000014184618 556384433 /nfs/dbraw/zinc/38/44/33/556384433.db2.gz DOIBJAJZANOOCP-OAQYLSRUSA-N 0 0 447.516 4.389 50 0 IIAARN CN(Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cc1 ZINC000011998704 556385219 /nfs/dbraw/zinc/38/52/19/556385219.db2.gz ULTQMFLYFGYHHW-HXUWFJFHSA-N 0 0 439.581 4.228 50 0 IIAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)CN1CCOC1=S ZINC000014189837 556387706 /nfs/dbraw/zinc/38/77/06/556387706.db2.gz SJZIDOYHQOASNK-UHFFFAOYSA-N 0 0 426.973 4.258 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000014196550 556388183 /nfs/dbraw/zinc/38/81/83/556388183.db2.gz AUHMJQFIKCBANL-LBPRGKRZSA-N 0 0 427.457 4.141 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sccc1-n1cccc1 ZINC000014198704 556389978 /nfs/dbraw/zinc/38/99/78/556389978.db2.gz VVVXNZJYXAVPKF-UHFFFAOYSA-N 0 0 429.567 4.274 50 0 IIAARN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(OC(F)F)cc3)cc2)cc1 ZINC000014201005 556391752 /nfs/dbraw/zinc/39/17/52/556391752.db2.gz ZBFOCIPHBLYXAF-UHFFFAOYSA-N 0 0 446.475 4.392 50 0 IIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cc2ccccc2o1 ZINC000014202216 556392435 /nfs/dbraw/zinc/39/24/35/556392435.db2.gz JUFNDTLFSYJVNI-QGZVFWFLSA-N 0 0 434.517 4.402 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032817007 556393162 /nfs/dbraw/zinc/39/31/62/556393162.db2.gz CGULHMYMUGPSSG-UHFFFAOYSA-N 0 0 426.402 4.341 50 0 IIAARN Cc1cnc(-n2ncc(C(=O)N(C)CCc3ccccn3)c2C2CC2)nc1-c1cccs1 ZINC000012054149 556393590 /nfs/dbraw/zinc/39/35/90/556393590.db2.gz PPDVCORNZBCHSS-UHFFFAOYSA-N 0 0 444.564 4.286 50 0 IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccc(CSC)o3)C2)c1 ZINC000012056175 556394167 /nfs/dbraw/zinc/39/41/67/556394167.db2.gz LAYYTXNPWNEPMN-QGZVFWFLSA-N 0 0 430.570 4.100 50 0 IIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)cc1 ZINC000012062059 556395106 /nfs/dbraw/zinc/39/51/06/556395106.db2.gz XDOIZYKQHSCQCB-IBGZPJMESA-N 0 0 448.567 4.211 50 0 IIAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC1(N2CCOCC2)CCCCC1 ZINC000014228345 556395723 /nfs/dbraw/zinc/39/57/23/556395723.db2.gz LFJXIVHPVLXZBV-UHFFFAOYSA-N 0 0 434.005 4.157 50 0 IIAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nc(-c2ccsc2)no1 ZINC000014233016 556398503 /nfs/dbraw/zinc/39/85/03/556398503.db2.gz RANUZMXPHPUUJA-UHFFFAOYSA-N 0 0 444.516 4.074 50 0 IIAARN COc1cc2c(cc1OC)CN(Cn1nc(Cc3cccs3)n(C3CC3)c1=S)CC2 ZINC000014244862 556404362 /nfs/dbraw/zinc/40/43/62/556404362.db2.gz IMQDLRWGSNNKAZ-UHFFFAOYSA-N 0 0 442.610 4.434 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4cccnc4)cc3)n2)cc1 ZINC000032578838 556405789 /nfs/dbraw/zinc/40/57/89/556405789.db2.gz JKXWIYXLLKLMQU-MRXNPFEDSA-N 0 0 430.464 4.063 50 0 IIAARN CCOc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000032578894 556405810 /nfs/dbraw/zinc/40/58/10/556405810.db2.gz VKRZKQNUHFUIFJ-UHFFFAOYSA-N 0 0 429.476 4.498 50 0 IIAARN COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)c1 ZINC000032622337 556409686 /nfs/dbraw/zinc/40/96/86/556409686.db2.gz NHDPELADEWYSBP-JOCHJYFZSA-N 0 0 435.524 4.316 50 0 IIAARN O=C(Oc1ccccc1Cl)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000032623404 556410482 /nfs/dbraw/zinc/41/04/82/556410482.db2.gz BYARGWMYSSPWCG-UHFFFAOYSA-N 0 0 441.267 4.116 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccccc3Cl)n2)cc1 ZINC000032623887 556410967 /nfs/dbraw/zinc/41/09/67/556410967.db2.gz MZMAMSKBKLAXEC-UHFFFAOYSA-N 0 0 437.304 4.285 50 0 IIAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000032819582 556412207 /nfs/dbraw/zinc/41/22/07/556412207.db2.gz NZAWBLWVXSPVAV-XMMPIXPASA-N 0 0 437.503 4.193 50 0 IIAARN CCCc1ccc(Oc2coc3cc(OCC(=O)NC[C@H]4CCCO4)ccc3c2=O)cc1 ZINC000014357980 556414100 /nfs/dbraw/zinc/41/41/00/556414100.db2.gz XYRKMDJAZOXKFM-HXUWFJFHSA-N 0 0 437.492 4.212 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)[C@@H]1C ZINC000014357767 556414201 /nfs/dbraw/zinc/41/42/01/556414201.db2.gz KTLLRXUTAYYWRP-DBXWQHBBSA-N 0 0 432.524 4.032 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000032665977 556417101 /nfs/dbraw/zinc/41/71/01/556417101.db2.gz QAMLPEUEJDHSRU-SFHVURJKSA-N 0 0 435.471 4.488 50 0 IIAARN C[C@H](OC(=O)c1sccc1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032668312 556418283 /nfs/dbraw/zinc/41/82/83/556418283.db2.gz YEVQGVKMQMVBLQ-AWEZNQCLSA-N 0 0 429.519 4.215 50 0 IIAARN CCOc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000012973360 556419658 /nfs/dbraw/zinc/41/96/58/556419658.db2.gz YTIYVJPGKBFYFU-UHFFFAOYSA-N 0 0 438.597 4.047 50 0 IIAARN CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccc3ccccc31)CC2 ZINC000014530798 556420403 /nfs/dbraw/zinc/42/04/03/556420403.db2.gz SAXYSNCQDAMEFX-UHFFFAOYSA-N 0 0 445.441 4.364 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCN(C(=O)C4CCCC4)CC3)c12 ZINC000012974918 556420931 /nfs/dbraw/zinc/42/09/31/556420931.db2.gz VVEQJNCPGMICPX-UHFFFAOYSA-N 0 0 438.553 4.124 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012983511 556425688 /nfs/dbraw/zinc/42/56/88/556425688.db2.gz NUZZPXXJEZDZOM-UHFFFAOYSA-N 0 0 427.522 4.392 50 0 IIAARN COc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000012985388 556426627 /nfs/dbraw/zinc/42/66/27/556426627.db2.gz UZNUTQDCQGKKMG-SANMLTNESA-N 0 0 432.520 4.299 50 0 IIAARN CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000032845951 556429751 /nfs/dbraw/zinc/42/97/51/556429751.db2.gz IERPGCJFRVLROX-XMMPIXPASA-N 0 0 448.544 4.044 50 0 IIAARN CCOC(=O)c1ccc(OC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 ZINC000032847818 556430275 /nfs/dbraw/zinc/43/02/75/556430275.db2.gz PKHCGQJMOILPNJ-UHFFFAOYSA-N 0 0 436.913 4.209 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccsc43)cc2)cc1 ZINC000032853418 556431899 /nfs/dbraw/zinc/43/18/99/556431899.db2.gz CJUWZMIQSUOCLG-UHFFFAOYSA-N 0 0 427.507 4.317 50 0 IIAARN O=C(CCn1cnc2ccccc2c1=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000027818313 556433283 /nfs/dbraw/zinc/43/32/83/556433283.db2.gz GASHKDOKRDXDLT-HXUWFJFHSA-N 0 0 442.544 4.278 50 0 IIAARN O=C(CCn1cnc2ccccc2c1=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000027818319 556433407 /nfs/dbraw/zinc/43/34/07/556433407.db2.gz GASHKDOKRDXDLT-FQEVSTJZSA-N 0 0 442.544 4.278 50 0 IIAARN CCn1c2ccccc2n(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1=O ZINC000014702174 556433842 /nfs/dbraw/zinc/43/38/42/556433842.db2.gz GOFFYVNNQBWBIF-UHFFFAOYSA-N 0 0 444.322 4.013 50 0 IIAARN COc1ccc(C[S@](=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004409607 556435862 /nfs/dbraw/zinc/43/58/62/556435862.db2.gz UOOBIWPIXDIPLC-MUUNZHRXSA-N 0 0 429.563 4.156 50 0 IIAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc(OC)cc2OC)n1 ZINC000013016114 556437999 /nfs/dbraw/zinc/43/79/99/556437999.db2.gz ARNITZYKYVSIJI-HXUWFJFHSA-N 0 0 434.544 4.114 50 0 IIAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2cc(OC)ccc2OC)n1 ZINC000013016107 556438065 /nfs/dbraw/zinc/43/80/65/556438065.db2.gz DMPYEUZBWASEAK-FQEVSTJZSA-N 0 0 434.544 4.114 50 0 IIAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Sc4nc(C)cc(C)n4)cc3)CC2=O)c1 ZINC000013020424 556439716 /nfs/dbraw/zinc/43/97/16/556439716.db2.gz SARDVSMLIKLQER-KRWDZBQOSA-N 0 0 448.548 4.245 50 0 IIAARN COc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000032691652 556441244 /nfs/dbraw/zinc/44/12/44/556441244.db2.gz YLYIMBDJSXHEDY-QGZVFWFLSA-N 0 0 445.544 4.364 50 0 IIAARN CCN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000028013978 556441905 /nfs/dbraw/zinc/44/19/05/556441905.db2.gz KCJGFHMUEYLCDM-WUKNDPDISA-N 0 0 444.579 4.375 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(NCC(C)C)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014750276 556443300 /nfs/dbraw/zinc/44/33/00/556443300.db2.gz KENFXSOAXKTOCS-WBVHZDCISA-N 0 0 430.549 4.054 50 0 IIAARN CNc1snc(C)c1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028080751 556443643 /nfs/dbraw/zinc/44/36/43/556443643.db2.gz MKOJHMWFBGVSOI-UHFFFAOYSA-N 0 0 442.535 4.319 50 0 IIAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccc(F)c1 ZINC000072272969 556445816 /nfs/dbraw/zinc/44/58/16/556445816.db2.gz FFCCSELUTCGPIC-MRXNPFEDSA-N 0 0 431.529 4.020 50 0 IIAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1 ZINC000013040067 556445851 /nfs/dbraw/zinc/44/58/51/556445851.db2.gz LMOQSFGGWDDADU-UHFFFAOYSA-N 0 0 442.610 4.010 50 0 IIAARN CC(C)(C)c1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCOCC2)cc1 ZINC000028292075 556450368 /nfs/dbraw/zinc/45/03/68/556450368.db2.gz OWCDGLVDXMKZIQ-OAQYLSRUSA-N 0 0 430.976 4.206 50 0 IIAARN Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1C ZINC000028292281 556450383 /nfs/dbraw/zinc/45/03/83/556450383.db2.gz FTTBAKWRQJCGDN-HSZRJFAPSA-N 0 0 448.563 4.337 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccccc3OC)cc2)cc1 ZINC000013060188 556450487 /nfs/dbraw/zinc/45/04/87/556450487.db2.gz MVKCKIBFYHGWKA-UHFFFAOYSA-N 0 0 447.535 4.417 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1OC ZINC000028296053 556451306 /nfs/dbraw/zinc/45/13/06/556451306.db2.gz KNKYCCVKNXDFJN-OAQYLSRUSA-N 0 0 435.524 4.316 50 0 IIAARN COc1ccc(C[C@]2(CCC(=O)NCCc3cccc4ccccc43)CCC(=O)N2)c(F)c1 ZINC000014879503 556452851 /nfs/dbraw/zinc/45/28/51/556452851.db2.gz WIFGHPLNNDMGIE-MHZLTWQESA-N 0 0 448.538 4.318 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2ccccc2OC(F)F)c(C)n1NC(=O)c1ccccc1 ZINC000013075264 556455268 /nfs/dbraw/zinc/45/52/68/556455268.db2.gz HBPMLRATFYKCCB-UHFFFAOYSA-N 0 0 442.418 4.130 50 0 IIAARN Cn1cc(-c2nc(C(=O)Oc3cccc(-c4nc5cc(F)ccc5n4C)c3)cs2)cn1 ZINC000072275621 556456428 /nfs/dbraw/zinc/45/64/28/556456428.db2.gz CTDXWIATWFQHHI-UHFFFAOYSA-N 0 0 433.468 4.456 50 0 IIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(COc2ccccc2)cc1 ZINC000013101471 556460720 /nfs/dbraw/zinc/46/07/20/556460720.db2.gz APQDMKXQSIQLAR-VWLOTQADSA-N 0 0 434.511 4.208 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)ccn2)c1 ZINC000013109507 556462997 /nfs/dbraw/zinc/46/29/97/556462997.db2.gz ZIPFULZLIWGNFR-UHFFFAOYSA-N 0 0 445.928 4.211 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000014959129 556463517 /nfs/dbraw/zinc/46/35/17/556463517.db2.gz QNOSCTMTKWYBOD-UHFFFAOYSA-N 0 0 439.438 4.042 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H]1COc2ccccc2O1 ZINC000013109843 556463632 /nfs/dbraw/zinc/46/36/32/556463632.db2.gz ZYVWSCADGBXYAW-SFHVURJKSA-N 0 0 428.492 4.249 50 0 IIAARN CC(=O)CCc1ccc(OC[C@@H](O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000028917282 556463827 /nfs/dbraw/zinc/46/38/27/556463827.db2.gz GDMJMJUTARJCSF-IBGZPJMESA-N 0 0 440.499 4.209 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000013110252 556464175 /nfs/dbraw/zinc/46/41/75/556464175.db2.gz RKRNJKNNKVMFKV-DEOSSOPVSA-N 0 0 434.565 4.291 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3ccccc3c3nc(C)nn32)c1C ZINC000032871517 556464210 /nfs/dbraw/zinc/46/42/10/556464210.db2.gz PLDTYEMEUVRFFG-CYBMUJFWSA-N 0 0 437.525 4.071 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1C[C@@H]1CCCO1 ZINC000013112637 556465167 /nfs/dbraw/zinc/46/51/67/556465167.db2.gz XYWHUUPGSUICPC-IBGZPJMESA-N 0 0 437.569 4.247 50 0 IIAARN COc1cccc([C@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)c2nccn2C)c1 ZINC000029097660 556467398 /nfs/dbraw/zinc/46/73/98/556467398.db2.gz HLPLRLPBLUPVLR-QHCPKHFHSA-N 0 0 434.471 4.061 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000013115095 556467899 /nfs/dbraw/zinc/46/78/99/556467899.db2.gz AVVZYGXGLBTJMK-UHFFFAOYSA-N 0 0 428.941 4.110 50 0 IIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)Nc1ccc2ccccc2c1 ZINC000013115993 556468529 /nfs/dbraw/zinc/46/85/29/556468529.db2.gz BVEJKWYBIFBWOL-UHFFFAOYSA-N 0 0 438.480 4.402 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000029232156 556470641 /nfs/dbraw/zinc/47/06/41/556470641.db2.gz GNSKCUSSZSBNOZ-CQSZACIVSA-N 0 0 448.748 4.431 50 0 IIAARN O=C(c1ccc(Br)s1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029284951 556471552 /nfs/dbraw/zinc/47/15/52/556471552.db2.gz KWICRAQNOGHMLM-UHFFFAOYSA-N 0 0 449.292 4.367 50 0 IIAARN Cc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)n1CCc1cccs1 ZINC000013127004 556475519 /nfs/dbraw/zinc/47/55/19/556475519.db2.gz XLKDGEHVRHPOTE-UHFFFAOYSA-N 0 0 425.583 4.439 50 0 IIAARN Cc1ccc(N2CCCC2)c(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000072286701 556478759 /nfs/dbraw/zinc/47/87/59/556478759.db2.gz WDKSLEGRXGMQHN-UHFFFAOYSA-N 0 0 444.373 4.377 50 0 IIAARN COc1cc(OC)c(C2=CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c(OC)c1 ZINC000029640984 556479442 /nfs/dbraw/zinc/47/94/42/556479442.db2.gz AKEAAKIBSANMFT-UHFFFAOYSA-N 0 0 425.460 4.191 50 0 IIAARN O=C(Cn1cnc2ccccc2c1=O)O[C@@H](c1ccccc1)c1ccccc1Br ZINC000072288225 556480589 /nfs/dbraw/zinc/48/05/89/556480589.db2.gz JQBOGNYRWYJRKO-QFIPXVFZSA-N 0 0 449.304 4.492 50 0 IIAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nnc(-c2ccc(F)cc2)o1 ZINC000013131913 556480679 /nfs/dbraw/zinc/48/06/79/556480679.db2.gz KNVMDKQXIJXMIS-UHFFFAOYSA-N 0 0 446.891 4.178 50 0 IIAARN CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)n1 ZINC000029797701 556483130 /nfs/dbraw/zinc/48/31/30/556483130.db2.gz KRPZHCDVBLLPLL-IBGZPJMESA-N 0 0 427.570 4.273 50 0 IIAARN O=C(NCc1cccnc1N1CCOCC1)Nc1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000072289572 556483872 /nfs/dbraw/zinc/48/38/72/556483872.db2.gz YOVXUSYYXSXCGK-UHFFFAOYSA-N 0 0 445.445 4.049 50 0 IIAARN Nc1nc(SCCS(=O)(=O)c2ccc(Cl)cc2)nc2sc3c(c21)CCCC3 ZINC000029872141 556484819 /nfs/dbraw/zinc/48/48/19/556484819.db2.gz LOSFJUMIGKQGQV-UHFFFAOYSA-N 0 0 440.015 4.372 50 0 IIAARN C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000029906148 556486325 /nfs/dbraw/zinc/48/63/25/556486325.db2.gz FZZUNCGMGSBZRC-GOSISDBHSA-N 0 0 444.487 4.186 50 0 IIAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000013141058 556486357 /nfs/dbraw/zinc/48/63/57/556486357.db2.gz RTNGHRZYUSVNQH-UHFFFAOYSA-N 0 0 444.940 4.422 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)c1 ZINC000032876392 556488462 /nfs/dbraw/zinc/48/84/62/556488462.db2.gz UJRCAZGJVKYEGX-LJQANCHMSA-N 0 0 443.617 4.041 50 0 IIAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2Br)cn1 ZINC000030009474 556488876 /nfs/dbraw/zinc/48/88/76/556488876.db2.gz AVHZNBLRBCURRO-SECBINFHSA-N 0 0 429.112 4.054 50 0 IIAARN CN1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000030030516 556489867 /nfs/dbraw/zinc/48/98/67/556489867.db2.gz DPTNYQQNAQPNNS-RUZDIDTESA-N 0 0 440.547 4.131 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H](c1cccs1)c1ccccc1 ZINC000030127853 556490675 /nfs/dbraw/zinc/49/06/75/556490675.db2.gz LCSKMGJKGKHQJL-NRFANRHFSA-N 0 0 446.619 4.042 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000015065644 556492705 /nfs/dbraw/zinc/49/27/05/556492705.db2.gz DWVMBZMRKHNRCG-QHCPKHFHSA-N 0 0 431.964 4.225 50 0 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ZINC000016625755 556618702 /nfs/dbraw/zinc/61/87/02/556618702.db2.gz AIHQPNBXSDJHFO-NSHDSACASA-N 0 0 438.837 4.227 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3C)n2)cc1NC(C)=O ZINC000016625441 556618744 /nfs/dbraw/zinc/61/87/44/556618744.db2.gz FTFSGXXVVRZSGJ-UHFFFAOYSA-N 0 0 438.915 4.032 50 0 IIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3F)n2)cc1NC(=O)C(C)C ZINC000016626732 556618963 /nfs/dbraw/zinc/61/89/63/556618963.db2.gz NTLWGWXCJBBWDV-MRXNPFEDSA-N 0 0 436.487 4.152 50 0 IIAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1NC(=O)C(C)C ZINC000016651450 556620691 /nfs/dbraw/zinc/62/06/91/556620691.db2.gz ISYQCIIVSAHNCI-INIZCTEOSA-N 0 0 436.487 4.152 50 0 IIAARN CCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2Cc2ccc(C)cc2)CC1 ZINC000005036271 556623578 /nfs/dbraw/zinc/62/35/78/556623578.db2.gz ICQLACIJPWKVDS-UHFFFAOYSA-N 0 0 425.554 4.410 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1 ZINC000016684904 556625147 /nfs/dbraw/zinc/62/51/47/556625147.db2.gz QKWITMNKYMQOOJ-UHFFFAOYSA-N 0 0 442.562 4.079 50 0 IIAARN O=C(NCc1cccnc1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998876 556626750 /nfs/dbraw/zinc/62/67/50/556626750.db2.gz IVVVFYXNURGHNY-UHFFFAOYSA-N 0 0 448.935 4.362 50 0 IIAARN O=C(c1cccc(I)c1)c1cccc(I)c1 ZINC000039778185 556630069 /nfs/dbraw/zinc/63/00/69/556630069.db2.gz NKUNBQOGOCFLNG-UHFFFAOYSA-N 0 0 434.014 4.127 50 0 IIAARN CCc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005119332 556636951 /nfs/dbraw/zinc/63/69/51/556636951.db2.gz JSMUASGPSSCZJD-QFIPXVFZSA-N 0 0 429.582 4.113 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752781 556638099 /nfs/dbraw/zinc/63/80/99/556638099.db2.gz PCXIKGLBOXGAHE-QGZVFWFLSA-N 0 0 447.940 4.233 50 0 IIAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCO)C3=O ZINC000016752643 556638154 /nfs/dbraw/zinc/63/81/54/556638154.db2.gz FXWZQWAGWOQRCZ-GOSISDBHSA-N 0 0 442.309 4.100 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016753930 556638633 /nfs/dbraw/zinc/63/86/33/556638633.db2.gz MSHJMQYPGLCNFM-KRWDZBQOSA-N 0 0 435.904 4.363 50 0 IIAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000016753813 556638650 /nfs/dbraw/zinc/63/86/50/556638650.db2.gz RHSGFFVKOPZBHH-UHFFFAOYSA-N 0 0 442.246 4.238 50 0 IIAARN CSc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016833273 556645369 /nfs/dbraw/zinc/64/53/69/556645369.db2.gz FPMDTHGBXHCQMC-UHFFFAOYSA-N 0 0 430.551 4.140 50 0 IIAARN Cc1cccc([C@@H]2c3cc(OCC(=O)N4CCCC4)ccc3CCN2C(=O)c2ccco2)c1 ZINC000037603297 556646670 /nfs/dbraw/zinc/64/66/70/556646670.db2.gz LGAUXPDIDFKVNI-AREMUKBSSA-N 0 0 444.531 4.377 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC3CC3)cc2[C@H]1c1cccc(F)c1 ZINC000037603013 556646684 /nfs/dbraw/zinc/64/66/84/556646684.db2.gz ZJUIPARNEPSMKK-UKILVPOCSA-N 0 0 438.543 4.393 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@H](C)C2 ZINC000011726550 556647347 /nfs/dbraw/zinc/64/73/47/556647347.db2.gz NCQYKLZWGBLBSW-SJLPKXTDSA-N 0 0 443.638 4.212 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2S1 ZINC000011726687 556647952 /nfs/dbraw/zinc/64/79/52/556647952.db2.gz UEDYNKOREQOHMU-LBPRGKRZSA-N 0 0 445.516 4.278 50 0 IIAARN O=C1C[C@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1c1ccccc1F ZINC000016903422 556648748 /nfs/dbraw/zinc/64/87/48/556648748.db2.gz JJCSDZHDULTJIN-RBUKOAKNSA-N 0 0 445.494 4.136 50 0 IIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1I ZINC000011757700 556651757 /nfs/dbraw/zinc/65/17/57/556651757.db2.gz RTDRLTBXBLWITQ-UHFFFAOYSA-N 0 0 436.318 4.345 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)OCCc2cc3cc(Br)ccc3o2)cc1 ZINC000032925548 556653388 /nfs/dbraw/zinc/65/33/88/556653388.db2.gz KZNIKANAZDEKPX-UHFFFAOYSA-N 0 0 437.311 4.139 50 0 IIAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000011758617 556653455 /nfs/dbraw/zinc/65/34/55/556653455.db2.gz CSLOCDLSCPQKRO-UHFFFAOYSA-N 0 0 448.405 4.099 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2c(=O)n1CCc1ccccc1 ZINC000038652327 556653721 /nfs/dbraw/zinc/65/37/21/556653721.db2.gz KPTAQNXMASCJCA-UHFFFAOYSA-N 0 0 444.878 4.303 50 0 IIAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nccn3n2)cc1 ZINC000017051623 556654371 /nfs/dbraw/zinc/65/43/71/556654371.db2.gz CTDAJNABDYGXIO-UHFFFAOYSA-N 0 0 432.505 4.207 50 0 IIAARN COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccccc3C)no2)CC1 ZINC000033004312 556654443 /nfs/dbraw/zinc/65/44/43/556654443.db2.gz UNXYSIPSKQUJKE-UHFFFAOYSA-N 0 0 427.508 4.442 50 0 IIAARN CCc1c(C)sc2nc(SC[C@@H](O)c3ccccc3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011772767 556655118 /nfs/dbraw/zinc/65/51/18/556655118.db2.gz DDAYHVWMDFXSBX-FUHWJXTLSA-N 0 0 430.595 4.334 50 0 IIAARN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032927931 556656465 /nfs/dbraw/zinc/65/64/65/556656465.db2.gz IQUMIGBDENIDFR-OAQYLSRUSA-N 0 0 434.565 4.478 50 0 IIAARN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032927928 556656626 /nfs/dbraw/zinc/65/66/26/556656626.db2.gz IQUMIGBDENIDFR-NRFANRHFSA-N 0 0 434.565 4.478 50 0 IIAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000017095727 556659300 /nfs/dbraw/zinc/65/93/00/556659300.db2.gz YPRNUBGNKIPRLZ-UHFFFAOYSA-N 0 0 428.341 4.191 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@]3(O)C(F)(F)F)c3ccccc3n2)c1 ZINC000017096390 556660148 /nfs/dbraw/zinc/66/01/48/556660148.db2.gz AJRYPFRMAPYNAT-NRFANRHFSA-N 0 0 429.398 4.383 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000248076061 556661117 /nfs/dbraw/zinc/66/11/17/556661117.db2.gz HLQAYICDVSFFDD-UZLBHIALSA-N 0 0 430.595 4.217 50 0 IIAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000013914022 556662118 /nfs/dbraw/zinc/66/21/18/556662118.db2.gz FYEJKQDFPYZNNR-RHTHQAGFSA-N 0 0 428.488 4.444 50 0 IIAARN CSc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 ZINC000011855013 556662173 /nfs/dbraw/zinc/66/21/73/556662173.db2.gz RCUHJWSHGLFNOS-UHFFFAOYSA-N 0 0 437.550 4.275 50 0 IIAARN CCOC(=O)C1CCN(C(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)CC1 ZINC000017098081 556662511 /nfs/dbraw/zinc/66/25/11/556662511.db2.gz XMJRYZVXGFGIEQ-UHFFFAOYSA-N 0 0 432.567 4.174 50 0 IIAARN Cc1cc2c([nH]c(=S)n(-c3ccc(Cn4cc(Br)cn4)cc3)c2=O)s1 ZINC000017098342 556663022 /nfs/dbraw/zinc/66/30/22/556663022.db2.gz SZXGBWWVKUNOGK-UHFFFAOYSA-N 0 0 433.356 4.426 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000017098605 556663486 /nfs/dbraw/zinc/66/34/86/556663486.db2.gz IUCRBKDKMRSVOS-IYBDPMFKSA-N 0 0 433.599 4.456 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000033019021 556665769 /nfs/dbraw/zinc/66/57/69/556665769.db2.gz VLZLGKDYSRHEIE-JOCHJYFZSA-N 0 0 429.545 4.155 50 0 IIAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)Nc4ccc(F)cc4)[C@H]3C2)c1 ZINC000248115545 556666039 /nfs/dbraw/zinc/66/60/39/556666039.db2.gz BBSBVZXKGATKFO-ILBGXUMGSA-N 0 0 431.511 4.341 50 0 IIAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2cccs2)CC1 ZINC000017101659 556666135 /nfs/dbraw/zinc/66/61/35/556666135.db2.gz RRZFQHZKFMJTDR-UHFFFAOYSA-N 0 0 437.613 4.437 50 0 IIAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC(Oc4ccc(F)cc4)CC3)CCC(=O)N2)cc1 ZINC000011869742 556667681 /nfs/dbraw/zinc/66/76/81/556667681.db2.gz FXNWEPYYKQKSME-AREMUKBSSA-N 0 0 438.543 4.176 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000071930981 556669190 /nfs/dbraw/zinc/66/91/90/556669190.db2.gz DKLPHYQUPIMIBG-UHFFFAOYSA-N 0 0 443.862 4.167 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930136 556673461 /nfs/dbraw/zinc/67/34/61/556673461.db2.gz ZRJGTVLLRAVWBE-INIZCTEOSA-N 0 0 428.485 4.341 50 0 IIAARN O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(n2cccc2)CCCCC1 ZINC000033019403 556676073 /nfs/dbraw/zinc/67/60/73/556676073.db2.gz AMKAVCIGIQMXRB-UHFFFAOYSA-N 0 0 448.533 4.105 50 0 IIAARN Cc1cc(C(=O)COC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)s1 ZINC000032933277 556676581 /nfs/dbraw/zinc/67/65/81/556676581.db2.gz ZBILXFJZPKJGJU-AWEZNQCLSA-N 0 0 426.460 4.421 50 0 IIAARN CCc1cccc(OCC(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)c1 ZINC000011970301 556677762 /nfs/dbraw/zinc/67/77/62/556677762.db2.gz MUCXLYBVBSXGBT-UHFFFAOYSA-N 0 0 437.521 4.054 50 0 IIAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cn1)C1c3ccccc3C2c2ccccc21 ZINC000017862611 556679866 /nfs/dbraw/zinc/67/98/66/556679866.db2.gz CMYYZVUKHZNWAJ-ZAYGCWILSA-N 0 0 431.289 4.241 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000017987444 556680986 /nfs/dbraw/zinc/68/09/86/556680986.db2.gz VSNOXLAVMLRBDY-QZTJIDSGSA-N 0 0 426.266 4.124 50 0 IIAARN CCOC(=O)Nc1ccc2c(COC(=O)Cn3c(C)cc4ccccc43)cc(=O)oc2c1 ZINC000010621796 556682486 /nfs/dbraw/zinc/68/24/86/556682486.db2.gz MEPYZQRGRDJKOW-UHFFFAOYSA-N 0 0 434.448 4.368 50 0 IIAARN CCCOc1c(OC)cccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1 ZINC000018093947 556683939 /nfs/dbraw/zinc/68/39/39/556683939.db2.gz ZLYKGBYYVXHJHF-FQEVSTJZSA-N 0 0 425.554 4.224 50 0 IIAARN O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000060322895 556685004 /nfs/dbraw/zinc/68/50/04/556685004.db2.gz KRYREJQIMDYSBZ-LJQANCHMSA-N 0 0 442.562 4.010 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000018155581 556685297 /nfs/dbraw/zinc/68/52/97/556685297.db2.gz ZNQXZTWGLYOZBG-QZTJIDSGSA-N 0 0 427.298 4.381 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)c(C)c1 ZINC000033020735 556685757 /nfs/dbraw/zinc/68/57/57/556685757.db2.gz QCOFMLLHQJGMCA-FCHUYYIVSA-N 0 0 435.616 4.424 50 0 IIAARN Cc1ccc(SCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000024148628 556685790 /nfs/dbraw/zinc/68/57/90/556685790.db2.gz MFGXJKVLLJUUQX-UHFFFAOYSA-N 0 0 442.972 4.135 50 0 IIAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000018223053 556687650 /nfs/dbraw/zinc/68/76/50/556687650.db2.gz YTHLBQAVKLDBSG-SFHVURJKSA-N 0 0 433.943 4.073 50 0 IIAARN O=C(COc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000018247643 556688244 /nfs/dbraw/zinc/68/82/44/556688244.db2.gz WXIDKYMCUOOFRR-OALUTQOASA-N 0 0 440.293 4.166 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)Cc1ccccc1 ZINC000000778405 556689977 /nfs/dbraw/zinc/68/99/77/556689977.db2.gz YZOMNCITKPJPFW-UHFFFAOYSA-N 0 0 438.505 4.285 50 0 IIAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000046006610 556690624 /nfs/dbraw/zinc/69/06/24/556690624.db2.gz RSQYIFVZTPSGBL-UHFFFAOYSA-N 0 0 432.499 4.434 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 ZINC000046141416 556692705 /nfs/dbraw/zinc/69/27/05/556692705.db2.gz BQLWZOYCXALZHA-LBPRGKRZSA-N 0 0 447.513 4.415 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccccc1 ZINC000046141411 556692724 /nfs/dbraw/zinc/69/27/24/556692724.db2.gz DWIGGULVVNHOKP-UHFFFAOYSA-N 0 0 429.498 4.391 50 0 IIAARN Cc1cc2nc3sc(=Cc4ccc(-c5ccc6c(c5)COC6=O)o4)c(=O)n3c2cc1C ZINC000252677399 556694478 /nfs/dbraw/zinc/69/44/78/556694478.db2.gz YPNZALKLLPWEFI-UHFFFAOYSA-N 0 0 428.469 4.004 50 0 IIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)(C)N5O ZINC000118918973 556696147 /nfs/dbraw/zinc/69/61/47/556696147.db2.gz HSNHEWPTHWDUDJ-NBIHEYJHSA-N 0 0 434.597 4.084 50 0 biogenic IIAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)Nc3ccc4ccccc4c3)CCC2)cc1 ZINC000033027490 556706869 /nfs/dbraw/zinc/70/68/69/556706869.db2.gz GDUBUAOECFUUQZ-UHFFFAOYSA-N 0 0 449.514 4.147 50 0 IIAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068433 556710364 /nfs/dbraw/zinc/71/03/64/556710364.db2.gz ZFTXFMMBYVILSS-UHFFFAOYSA-N 0 0 447.535 4.459 50 0 IIAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138564236 556719182 /nfs/dbraw/zinc/71/91/82/556719182.db2.gz KAKFADBDXSIQQW-RCCFBDPRSA-N 0 0 436.726 4.182 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000072325705 556723528 /nfs/dbraw/zinc/72/35/28/556723528.db2.gz RJEVBYHSPAOSSC-UHFFFAOYSA-N 0 0 435.524 4.372 50 0 biogenic IIAARN COc1ccc(F)cc1CN1CCN(c2ncnc3sc4c(c32)C[C@H](C)CC4)CC1 ZINC000054290448 556729838 /nfs/dbraw/zinc/72/98/38/556729838.db2.gz GVQCPVMQTJZHGS-OAHLLOKOSA-N 0 0 426.561 4.286 50 0 IIAARN C[C@@H](c1ccncn1)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000055052686 556732686 /nfs/dbraw/zinc/73/26/86/556732686.db2.gz HGCFZFWCUHTDNS-KRWDZBQOSA-N 0 0 440.979 4.377 50 0 IIAARN CCCCNC(=O)C1(NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCCCC1 ZINC000060360435 556733959 /nfs/dbraw/zinc/73/39/59/556733959.db2.gz HQFRQUPMJXYALM-SDNWHVSQSA-N 0 0 435.568 4.409 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000078990004 556736546 /nfs/dbraw/zinc/73/65/46/556736546.db2.gz NMMLDIWUIQUSJX-HLFMIMNKSA-N 0 0 441.478 4.215 50 0 IIAARN CCc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)cc1 ZINC000055244612 556738664 /nfs/dbraw/zinc/73/86/64/556738664.db2.gz GKDBZFTYMYVQJL-UHFFFAOYSA-N 0 0 425.598 4.114 50 0 IIAARN CCOc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OCC)c1OCC ZINC000055253002 556738845 /nfs/dbraw/zinc/73/88/45/556738845.db2.gz MBGOWBKRHGYZEX-JLHYYAGUSA-N 0 0 438.568 4.354 50 0 IIAARN CC(C)c1nc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000055310664 556740143 /nfs/dbraw/zinc/74/01/43/556740143.db2.gz GSDKCMWRUKEVLN-LJQANCHMSA-N 0 0 433.021 4.347 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045179 556742747 /nfs/dbraw/zinc/74/27/47/556742747.db2.gz QHJXNULBRJVGBK-HNNXBMFYSA-N 0 0 439.972 4.401 50 0 IIAARN CN1CCCN(C(=O)c2ccc(OCc3cscn3)cc2)c2nc3ccccc3nc21 ZINC000019358237 556745385 /nfs/dbraw/zinc/74/53/85/556745385.db2.gz YNBZFWKIJNTFJE-UHFFFAOYSA-N 0 0 431.521 4.152 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1Cl ZINC000057486662 556747839 /nfs/dbraw/zinc/74/78/39/556747839.db2.gz VCHZZIGXRZLKJU-UHFFFAOYSA-N 0 0 428.826 4.453 50 0 IIAARN CN(Cc1cccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1)C(=O)OC(C)(C)C ZINC000057990920 556750740 /nfs/dbraw/zinc/75/07/40/556750740.db2.gz RAIYUGBNSGZQFT-UHFFFAOYSA-N 0 0 427.530 4.163 50 0 IIAARN NC(=O)CCN(C(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000057991990 556750870 /nfs/dbraw/zinc/75/08/70/556750870.db2.gz MZOXBANCCUOZDT-IBGZPJMESA-N 0 0 438.330 4.178 50 0 IIAARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc(Br)cc1Cl ZINC000057991564 556750890 /nfs/dbraw/zinc/75/08/90/556750890.db2.gz BPBSIBZYYCWXOQ-UHFFFAOYSA-N 0 0 429.673 4.472 50 0 IIAARN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000058014373 556753694 /nfs/dbraw/zinc/75/36/94/556753694.db2.gz YDABVTVENIZVBS-NRFANRHFSA-N 0 0 429.476 4.241 50 0 IIAARN CCOC(=O)c1cc2cc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)ccc2s1 ZINC000058112411 556759081 /nfs/dbraw/zinc/75/90/81/556759081.db2.gz GLXJKDHBTDJLQX-ROUUACIJSA-N 0 0 432.542 4.270 50 0 IIAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2ncccc2OCC2CCCCC2)cc1 ZINC000058145347 556761695 /nfs/dbraw/zinc/76/16/95/556761695.db2.gz YZILNGDPNWLEQP-NKAIQICCSA-N 0 0 437.540 4.206 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000058166768 556766815 /nfs/dbraw/zinc/76/68/15/556766815.db2.gz NZCUBMUBHIZEFV-UHFFFAOYSA-N 0 0 445.548 4.339 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)/C=C/c3cccc4ccccc34)C2)cc1 ZINC000058203012 556771361 /nfs/dbraw/zinc/77/13/61/556771361.db2.gz YBMIDABTZOWRES-WMJZSHNHSA-N 0 0 448.588 4.379 50 0 IIAARN O=C(c1n[nH]c2ccccc21)N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000058218079 556772853 /nfs/dbraw/zinc/77/28/53/556772853.db2.gz GGSHILQCQJWMAM-UHFFFAOYSA-N 0 0 440.532 4.197 50 0 IIAARN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000058218142 556772914 /nfs/dbraw/zinc/77/29/14/556772914.db2.gz VAONKDRPKZFSMV-UHFFFAOYSA-N 0 0 443.956 4.365 50 0 IIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc([C@]3(CC)CCC(=O)NC3=O)cc2)cc1OC ZINC000058224932 556773668 /nfs/dbraw/zinc/77/36/68/556773668.db2.gz CRORROJOGPAZRJ-QHCPKHFHSA-N 0 0 444.915 4.084 50 0 IIAARN COc1cc(C(=O)N(C)Cc2nc(C)c3ccccc3n2)ccc1OCc1cscn1 ZINC000058329266 556781320 /nfs/dbraw/zinc/78/13/20/556781320.db2.gz LQNQABNUMHAQIT-UHFFFAOYSA-N 0 0 434.521 4.255 50 0 IIAARN O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000058343658 556782146 /nfs/dbraw/zinc/78/21/46/556782146.db2.gz GLJOZOIRPALLOD-GOSISDBHSA-N 0 0 436.928 4.295 50 0 IIAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nccn1-c1cccc(C)c1 ZINC000011197719 556797249 /nfs/dbraw/zinc/79/72/49/556797249.db2.gz IUUMYFIMGODTTO-GOSISDBHSA-N 0 0 436.581 4.321 50 0 IIAARN CCOc1ccc(CCC2CCN(C(=O)COc3ccc4ccc(=O)oc4c3)CC2)cc1 ZINC000011197546 556797310 /nfs/dbraw/zinc/79/73/10/556797310.db2.gz YLPMTIOULZRKMF-UHFFFAOYSA-N 0 0 435.520 4.442 50 0 IIAARN CCN(C(=O)CSc1nc2ccccc2n1CC(=O)NCc1ccco1)c1ccccc1 ZINC000033050415 556799507 /nfs/dbraw/zinc/79/95/07/556799507.db2.gz UEMGEMHKRNXIHA-UHFFFAOYSA-N 0 0 448.548 4.091 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc(OC)c1OC ZINC000002620291 556800587 /nfs/dbraw/zinc/80/05/87/556800587.db2.gz IZZQUWUNLZBGOZ-MDWZMJQESA-N 0 0 448.523 4.349 50 0 IIAARN COCCNC(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000002627149 556801044 /nfs/dbraw/zinc/80/10/44/556801044.db2.gz IEPNRCBBECZANK-UHFFFAOYSA-N 0 0 440.499 4.488 50 0 IIAARN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000060100853 556806617 /nfs/dbraw/zinc/80/66/17/556806617.db2.gz ZDEWQYOQPICRQV-UHFFFAOYSA-N 0 0 447.910 4.190 50 0 IIAARN CCOC(=O)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000060104814 556806681 /nfs/dbraw/zinc/80/66/81/556806681.db2.gz UXDOEQWDNAHQIH-RPWUZVMVSA-N 0 0 444.531 4.359 50 0 IIAARN CC(C)(C)OC(=O)NCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000060158676 556806959 /nfs/dbraw/zinc/80/69/59/556806959.db2.gz GGQBVNCXPXWOOM-UHFFFAOYSA-N 0 0 438.450 4.023 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 ZINC000003325651 556810520 /nfs/dbraw/zinc/81/05/20/556810520.db2.gz BMQKOWDPJZUKTJ-UHFFFAOYSA-N 0 0 427.551 4.155 50 0 IIAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000003380180 556813813 /nfs/dbraw/zinc/81/38/13/556813813.db2.gz RKQXKWBFDQUXOS-UHFFFAOYSA-N 0 0 441.386 4.194 50 0 IIAARN Cc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003412297 556814655 /nfs/dbraw/zinc/81/46/55/556814655.db2.gz ZBASTFKTYRFJDN-UHFFFAOYSA-N 0 0 425.506 4.041 50 0 IIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000003408753 556814694 /nfs/dbraw/zinc/81/46/94/556814694.db2.gz RQUVCQDNMLWFIF-LJQANCHMSA-N 0 0 433.537 4.113 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072402526 556815845 /nfs/dbraw/zinc/81/58/45/556815845.db2.gz WZJXBHAIWKVDEF-NZQKXSOJSA-N 0 0 436.527 4.173 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000003503993 556816889 /nfs/dbraw/zinc/81/68/89/556816889.db2.gz PXVBRNHUFHTWNV-OAQYLSRUSA-N 0 0 431.521 4.451 50 0 IIAARN CCCCOc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000033061775 556817270 /nfs/dbraw/zinc/81/72/70/556817270.db2.gz JBGXVXCUOGVJPF-UHFFFAOYSA-N 0 0 438.553 4.218 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003668588 556818427 /nfs/dbraw/zinc/81/84/27/556818427.db2.gz BJFIQEHKZVIGLS-UHFFFAOYSA-N 0 0 442.364 4.446 50 0 IIAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3Cl)nc12 ZINC000033067848 556819180 /nfs/dbraw/zinc/81/91/80/556819180.db2.gz PHNCPEOVEOMLNS-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN COc1ccc2[nH]c(CSc3nnc(COc4ccc(Cl)cc4)n3C)cc(=O)c2c1 ZINC000033067735 556819580 /nfs/dbraw/zinc/81/95/80/556819580.db2.gz NJEIWQHMCLSMKY-UHFFFAOYSA-N 0 0 442.928 4.190 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 ZINC000033067989 556820296 /nfs/dbraw/zinc/82/02/96/556820296.db2.gz XYNXACVVCWKDQZ-JOCHJYFZSA-N 0 0 443.503 4.378 50 0 IIAARN COc1ccc(/C=C\C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1OC ZINC000005527260 556821258 /nfs/dbraw/zinc/82/12/58/556821258.db2.gz CWUZJSKGMDLVJD-WQLSENKSSA-N 0 0 425.525 4.362 50 0 biogenic IIAARN COc1ccc(-c2nc(CNC(=O)C3CCN(c4cc(C5CC5)ncn4)CC3)cs2)cc1 ZINC000206654763 556826618 /nfs/dbraw/zinc/82/66/18/556826618.db2.gz VKIJQNSNESMJEZ-UHFFFAOYSA-N 0 0 449.580 4.019 50 0 IIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 ZINC000064892566 556828063 /nfs/dbraw/zinc/82/80/63/556828063.db2.gz UYNUXDIJXKLLCT-XMMPIXPASA-N 0 0 449.532 4.036 50 0 IIAARN Cc1ccc(Cn2c(=O)oc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc32)cc1 ZINC000064894539 556828901 /nfs/dbraw/zinc/82/89/01/556828901.db2.gz SCSPQCMSQVIKQA-UHFFFAOYSA-N 0 0 445.494 4.053 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)c1 ZINC000064894449 556828908 /nfs/dbraw/zinc/82/89/08/556828908.db2.gz KLLJMURFDSGKKH-UHFFFAOYSA-N 0 0 430.460 4.380 50 0 IIAARN CC(C)CCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958880 556829952 /nfs/dbraw/zinc/82/99/52/556829952.db2.gz YJUMHIVCZLYMGL-QGZVFWFLSA-N 0 0 425.964 4.428 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3cccs3)cc21 ZINC000065002760 556830992 /nfs/dbraw/zinc/83/09/92/556830992.db2.gz UWPUKPNLMKNGHN-UHFFFAOYSA-N 0 0 432.954 4.083 50 0 IIAARN CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1cc(=O)n2ccsc2n1 ZINC000019634833 556834695 /nfs/dbraw/zinc/83/46/95/556834695.db2.gz XREPBFXNGFWOGW-UHFFFAOYSA-N 0 0 441.626 4.419 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc(OC)c1OC ZINC000096602032 556837842 /nfs/dbraw/zinc/83/78/42/556837842.db2.gz XIXNUYLJPKSGIS-ODLFYWEKSA-N 0 0 428.510 4.435 50 0 IIAARN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000006631375 556839243 /nfs/dbraw/zinc/83/92/43/556839243.db2.gz RGMCFDRGMHGDLW-LJQANCHMSA-N 0 0 438.549 4.158 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)c1 ZINC000062639792 556841448 /nfs/dbraw/zinc/84/14/48/556841448.db2.gz VGTHQMWEAYQOJF-UHFFFAOYSA-N 0 0 441.466 4.106 50 0 IIAARN CC(C)c1ccc(-c2nc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)cs2)cc1 ZINC000071965089 556841519 /nfs/dbraw/zinc/84/15/19/556841519.db2.gz TXSXJNZAFATNSL-UHFFFAOYSA-N 0 0 441.582 4.276 50 0 IIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)n2)cc1 ZINC000067612499 556844062 /nfs/dbraw/zinc/84/40/62/556844062.db2.gz AMPIUPPEAIODLY-UHFFFAOYSA-N 0 0 438.482 4.469 50 0 IIAARN O=C(/C=C/c1ccc2ccccc2n1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000097674611 556846122 /nfs/dbraw/zinc/84/61/22/556846122.db2.gz AYCVNOQPDASAPK-ZIKJKZHMSA-N 0 0 447.491 4.240 50 0 IIAARN CCN(C)C(=O)c1ccc(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000067786409 556846624 /nfs/dbraw/zinc/84/66/24/556846624.db2.gz BKJCNPJDLARHMJ-UHFFFAOYSA-N 0 0 435.490 4.014 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000008824531 556848911 /nfs/dbraw/zinc/84/89/11/556848911.db2.gz SJUIIWKBLSVXGC-UHFFFAOYSA-N 0 0 430.508 4.475 50 0 IIAARN COc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000008825634 556849316 /nfs/dbraw/zinc/84/93/16/556849316.db2.gz YZXXPNQRJCUUON-UHFFFAOYSA-N 0 0 435.476 4.143 50 0 IIAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000008843616 556849709 /nfs/dbraw/zinc/84/97/09/556849709.db2.gz UMHFBVVYARTICJ-FQEVSTJZSA-N 0 0 429.904 4.322 50 0 IIAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NC[C@H]1CCCO1 ZINC000008854536 556850254 /nfs/dbraw/zinc/85/02/54/556850254.db2.gz RIIKIMUVBSFNLQ-OAHLLOKOSA-N 0 0 427.389 4.036 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000033078347 556853280 /nfs/dbraw/zinc/85/32/80/556853280.db2.gz GMUDFVVTCPVYBT-MRXNPFEDSA-N 0 0 428.989 4.482 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087844 556855688 /nfs/dbraw/zinc/85/56/88/556855688.db2.gz IINYCILKGQJZDB-INIZCTEOSA-N 0 0 443.594 4.221 50 0 IIAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3Br)c2)no1 ZINC000033086466 556856961 /nfs/dbraw/zinc/85/69/61/556856961.db2.gz LPGCHYVODMWPKG-UHFFFAOYSA-N 0 0 436.331 4.479 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1OC ZINC000033088558 556857762 /nfs/dbraw/zinc/85/77/62/556857762.db2.gz QXRIKWDRVCZVIB-UHFFFAOYSA-N 0 0 449.414 4.141 50 0 IIAARN O=C(Nc1cc(F)ccc1F)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088598 556858104 /nfs/dbraw/zinc/85/81/04/556858104.db2.gz DKCKGGVHZSBYLK-UHFFFAOYSA-N 0 0 425.342 4.402 50 0 IIAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1 ZINC000033113094 556859636 /nfs/dbraw/zinc/85/96/36/556859636.db2.gz RHJQIMQXDQBVSS-HNNXBMFYSA-N 0 0 437.525 4.211 50 0 IIAARN CCCn1c(=O)c2c(nc1SCc1ccc(C(=O)OC)o1)c(-c1ccccc1)cn2C ZINC000033114554 556861533 /nfs/dbraw/zinc/86/15/33/556861533.db2.gz PYGZCPICPPJALH-UHFFFAOYSA-N 0 0 437.521 4.484 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 ZINC000033121915 556863068 /nfs/dbraw/zinc/86/30/68/556863068.db2.gz HGKIGGJQNLAIHD-UHFFFAOYSA-N 0 0 449.536 4.416 50 0 IIAARN CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000033125487 556866564 /nfs/dbraw/zinc/86/65/64/556866564.db2.gz STXZZNAIQUKEAN-FQEVSTJZSA-N 0 0 441.915 4.389 50 0 IIAARN O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)N1CCc2ccccc21 ZINC000004672619 556867748 /nfs/dbraw/zinc/86/77/48/556867748.db2.gz PGRCQZIIHHXTKO-UHFFFAOYSA-N 0 0 425.573 4.424 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCCC2)cc1OC ZINC000004672779 556868162 /nfs/dbraw/zinc/86/81/62/556868162.db2.gz GTJSLLNZZIFDIW-VWLBVBLESA-N 0 0 428.573 4.327 50 0 IIAARN COc1cccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c1 ZINC000033129946 556869588 /nfs/dbraw/zinc/86/95/88/556869588.db2.gz DJZFUNCEQJEXQO-UHFFFAOYSA-N 0 0 436.533 4.399 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000011228706 556876261 /nfs/dbraw/zinc/87/62/61/556876261.db2.gz YSSJZWQFSAGZFE-UHFFFAOYSA-N 0 0 428.598 4.201 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000033141787 556878215 /nfs/dbraw/zinc/87/82/15/556878215.db2.gz ZHXGSHWBGZEFKB-UHFFFAOYSA-N 0 0 444.534 4.002 50 0 IIAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1cccc(OC(F)(F)F)c1 ZINC000071375655 556880373 /nfs/dbraw/zinc/88/03/73/556880373.db2.gz CKPPENINEQLLOR-UHFFFAOYSA-N 0 0 429.402 4.375 50 0 IIAARN COc1ccc(CNC(=O)CSc2nccnc2Sc2ccccc2)c(OC)c1 ZINC000033168958 556881172 /nfs/dbraw/zinc/88/11/72/556881172.db2.gz BLKKSGJXVWBSSC-UHFFFAOYSA-N 0 0 427.551 4.054 50 0 IIAARN Cc1cccc(-c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)c1 ZINC000033174728 556884245 /nfs/dbraw/zinc/88/42/45/556884245.db2.gz DLWBGQKTKPWKOY-UHFFFAOYSA-N 0 0 426.442 4.433 50 0 IIAARN Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000033169898 556884987 /nfs/dbraw/zinc/88/49/87/556884987.db2.gz JKKRCNCPQATTBC-AWEZNQCLSA-N 0 0 446.385 4.049 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000033170547 556885922 /nfs/dbraw/zinc/88/59/22/556885922.db2.gz WMIAVKHHRPCTCW-SEYXRHQNSA-N 0 0 431.558 4.421 50 0 IIAARN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000060523208 556886907 /nfs/dbraw/zinc/88/69/07/556886907.db2.gz LMCJKXDGMCBSHE-CRAIPNDOSA-N 0 0 446.347 4.225 50 0 IIAARN CSc1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2C)n1-c1ccc(F)cc1 ZINC000033186843 556886921 /nfs/dbraw/zinc/88/69/21/556886921.db2.gz GOBXNZWJJYDYIG-UHFFFAOYSA-N 0 0 426.517 4.131 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000033252229 556892677 /nfs/dbraw/zinc/89/26/77/556892677.db2.gz YYBKJXFTJCUBBW-UHFFFAOYSA-N 0 0 425.916 4.027 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)cc1 ZINC000033255516 556894972 /nfs/dbraw/zinc/89/49/72/556894972.db2.gz ODYXOMZBJQDSPK-GOSISDBHSA-N 0 0 440.569 4.465 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)cc1 ZINC000033255517 556895040 /nfs/dbraw/zinc/89/50/40/556895040.db2.gz ODYXOMZBJQDSPK-SFHVURJKSA-N 0 0 440.569 4.465 50 0 IIAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cc(Cl)ccc4OC)CC3)cc2)no1 ZINC000033258191 556895605 /nfs/dbraw/zinc/89/56/05/556895605.db2.gz IROGKQGWPKBMMY-UHFFFAOYSA-N 0 0 441.919 4.315 50 0 IIAARN O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000033260543 556897133 /nfs/dbraw/zinc/89/71/33/556897133.db2.gz SUZIZAKXGBLCJQ-UHFFFAOYSA-N 0 0 436.556 4.126 50 0 IIAARN CCOc1ccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000019800022 556917216 /nfs/dbraw/zinc/91/72/16/556917216.db2.gz XKLDNIHJGAXTMB-CQSZACIVSA-N 0 0 436.748 4.091 50 0 IIAARN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)C1CC1 ZINC000010670472 556918333 /nfs/dbraw/zinc/91/83/33/556918333.db2.gz PBDUSVIOSLBIIX-UHFFFAOYSA-N 0 0 432.851 4.186 50 0 IIAARN O=C(C[C@@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817435 556920263 /nfs/dbraw/zinc/92/02/63/556920263.db2.gz DOSJBHGIXVDNCC-HXUWFJFHSA-N 0 0 446.507 4.057 50 0 IIAARN O=C(c1cccnc1)N1CCCc2ccc(NS(=O)(=O)CCCc3ccccc3)cc21 ZINC000019819235 556922146 /nfs/dbraw/zinc/92/21/46/556922146.db2.gz XJIBYRQMRPNJAF-UHFFFAOYSA-N 0 0 435.549 4.049 50 0 IIAARN Fc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Br)o5)nn43)[nH]n2)cc1 ZINC000019827331 556925894 /nfs/dbraw/zinc/92/58/94/556925894.db2.gz NEEDGNSOJUNDCH-UHFFFAOYSA-N 0 0 431.250 4.405 50 0 IIAARN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019860898 556933410 /nfs/dbraw/zinc/93/34/10/556933410.db2.gz SDKKDBNOOUKQQK-MRXNPFEDSA-N 0 0 439.002 4.242 50 0 IIAARN Cc1ccc(N2CCN(C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1 ZINC000019879897 556936886 /nfs/dbraw/zinc/93/68/86/556936886.db2.gz WIUZYCLKMQWEOH-VWLOTQADSA-N 0 0 444.575 4.096 50 0 IIAARN CCOC(=O)c1ccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccco2)cc1 ZINC000019908728 556942563 /nfs/dbraw/zinc/94/25/63/556942563.db2.gz MGAOCALWCAJMGQ-UHFFFAOYSA-N 0 0 440.459 4.317 50 0 IIAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OCC ZINC000019929018 556947201 /nfs/dbraw/zinc/94/72/01/556947201.db2.gz BGTXMMIMJGVXLS-XMHGGMMESA-N 0 0 441.578 4.395 50 0 IIAARN CC(C)Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019939702 556953219 /nfs/dbraw/zinc/95/32/19/556953219.db2.gz CRQAFZUIZYEWHH-UHFFFAOYSA-N 0 0 430.599 4.428 50 0 IIAARN c1ccc(NN=c2nc[nH]c3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000019939553 556953371 /nfs/dbraw/zinc/95/33/71/556953371.db2.gz HBYHTYXHJVMXEG-UHFFFAOYSA-N 0 0 432.553 4.394 50 0 IIAARN CCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCCC ZINC000020004952 556957923 /nfs/dbraw/zinc/95/79/23/556957923.db2.gz KOORYNAJLWUCBE-INIZCTEOSA-N 0 0 446.569 4.188 50 0 IIAARN Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CCN(Cc4ccccc4C)CC3)n2)c1 ZINC000020028698 556967885 /nfs/dbraw/zinc/96/78/85/556967885.db2.gz DVNVFJPLOUWGJV-UHFFFAOYSA-N 0 0 438.959 4.148 50 0 IIAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095492 556979433 /nfs/dbraw/zinc/97/94/33/556979433.db2.gz WKRZNLOSNFFLCR-OAQYLSRUSA-N 0 0 445.519 4.150 50 0 IIAARN CCCc1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1 ZINC000097087731 556983273 /nfs/dbraw/zinc/98/32/73/556983273.db2.gz YXTIKAKOFGBVGN-IBGZPJMESA-N 0 0 436.537 4.280 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097096314 556984353 /nfs/dbraw/zinc/98/43/53/556984353.db2.gz USCDABRXSTXWLY-HNNXBMFYSA-N 0 0 442.928 4.289 50 0 IIAARN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(C2SCCCS2)cc1 ZINC000023054626 556988713 /nfs/dbraw/zinc/98/87/13/556988713.db2.gz ATNSSKLJYUIVMC-UHFFFAOYSA-N 0 0 426.563 4.457 50 0 IIAARN Brc1cccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)c1 ZINC000020149824 556990940 /nfs/dbraw/zinc/99/09/40/556990940.db2.gz QSNDOLWPHAOKLE-UHFFFAOYSA-N 0 0 425.330 4.051 50 0 IIAARN CCOC(=O)COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000020167732 556994303 /nfs/dbraw/zinc/99/43/03/556994303.db2.gz ZBYOQRZAOXAQTN-UHFFFAOYSA-N 0 0 432.520 4.269 50 0 IIAARN C[C@@H]1CN(C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccco2)CC3)C[C@H](C)O1 ZINC000014705524 556996749 /nfs/dbraw/zinc/99/67/49/556996749.db2.gz IYYCWHMVYVXFMI-SCPXMHTJSA-N 0 0 446.503 4.107 50 0 IIAARN COc1ccccc1C1=N/C(=C/c2ccc(OCc3cn4ccccc4n3)cc2)C(=O)O1 ZINC000096924549 557005889 /nfs/dbraw/zinc/00/58/89/557005889.db2.gz XHOWRMACDBQLFE-KGENOOAVSA-N 0 0 425.444 4.266 50 0 IIAARN COCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020292460 557005872 /nfs/dbraw/zinc/00/58/72/557005872.db2.gz QWQSZTLLKRSIGX-UHFFFAOYSA-N 0 0 427.574 4.139 50 0 IIAARN O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020328156 557008094 /nfs/dbraw/zinc/00/80/94/557008094.db2.gz 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CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)NCc2ccc(F)cc2)cc3C)cc1 ZINC000045990712 557016395 /nfs/dbraw/zinc/01/63/95/557016395.db2.gz YWDWZECAGXUZEA-UHFFFAOYSA-N 0 0 432.499 4.434 50 0 IIAARN CCc1cc(OCC(=O)NCc2ccccc2F)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016956 557019627 /nfs/dbraw/zinc/01/96/27/557019627.db2.gz FXLSTTSUWYSHRO-UHFFFAOYSA-N 0 0 432.499 4.434 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)c1 ZINC000046017226 557020469 /nfs/dbraw/zinc/02/04/69/557020469.db2.gz ZDCWNKIUKNBWSY-IBGZPJMESA-N 0 0 435.549 4.254 50 0 IIAARN Cc1nc2ccccc2n1CCNC(=O)COc1c(C)cc(Br)cc1Cl ZINC000010737159 557021983 /nfs/dbraw/zinc/02/19/83/557021983.db2.gz RPGULJYDVZVUEB-UHFFFAOYSA-N 0 0 436.737 4.264 50 0 IIAARN COc1cc(NC(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc(OC)c1OC ZINC000023140443 557022836 /nfs/dbraw/zinc/02/28/36/557022836.db2.gz VTHBTBSTFHGAKG-CYBMUJFWSA-N 0 0 444.513 4.235 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1C ZINC000046027402 557023211 /nfs/dbraw/zinc/02/32/11/557023211.db2.gz YWWUCEHNOQFUIQ-UHFFFAOYSA-N 0 0 437.565 4.052 50 0 IIAARN Cc1cc(C(=O)NCC(=O)Nc2cccc3cccnc32)c2cc(Br)ccc2n1 ZINC000072069500 557026560 /nfs/dbraw/zinc/02/65/60/557026560.db2.gz IRKUGQMIAKRNPI-UHFFFAOYSA-N 0 0 449.308 4.222 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021797747 557026577 /nfs/dbraw/zinc/02/65/77/557026577.db2.gz BDROFCHXYBAJCI-UHFFFAOYSA-N 0 0 449.536 4.025 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000023145144 557026751 /nfs/dbraw/zinc/02/67/51/557026751.db2.gz HRDUXCJOYFYLQV-UHFFFAOYSA-N 0 0 440.500 4.028 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)c1ccc3ncsc3c1)CN(Cc1ccccc1)CC2 ZINC000023153900 557029122 /nfs/dbraw/zinc/02/91/22/557029122.db2.gz YEFUQRNGYFSJNQ-UHFFFAOYSA-N 0 0 448.573 4.267 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc(OCC)c1OCC ZINC000051356507 557031419 /nfs/dbraw/zinc/03/14/19/557031419.db2.gz AONODZHIJKXWGX-UHFFFAOYSA-N 0 0 439.867 4.471 50 0 IIAARN O=C([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000032946726 557034324 /nfs/dbraw/zinc/03/43/24/557034324.db2.gz LIRQRQVAIRXADX-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000046079995 557035193 /nfs/dbraw/zinc/03/51/93/557035193.db2.gz ANCCDONQKIAQGX-NRFANRHFSA-N 0 0 427.932 4.081 50 0 IIAARN Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000023175318 557036872 /nfs/dbraw/zinc/03/68/72/557036872.db2.gz MWPOPAYVOUPDHY-RUZDIDTESA-N 0 0 429.476 4.193 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)c3ccccc3)C2)s1 ZINC000046123501 557037150 /nfs/dbraw/zinc/03/71/50/557037150.db2.gz YYCSKRQRFHPZIZ-OAHLLOKOSA-N 0 0 426.929 4.464 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1cccs1 ZINC000017243957 557044049 /nfs/dbraw/zinc/04/40/49/557044049.db2.gz DLKCYUAHNXKEDG-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc(NC(=O)c4ccco4)c3)c(C)c12 ZINC000010869850 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ZINC000022972400 557055270 /nfs/dbraw/zinc/05/52/70/557055270.db2.gz VPDJBHYOCJXJRQ-RUZDIDTESA-N 0 0 449.595 4.095 50 0 IIAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)c1C ZINC000033276390 557056336 /nfs/dbraw/zinc/05/63/36/557056336.db2.gz NBAVIBNZJZPLDQ-UHFFFAOYSA-N 0 0 448.504 4.471 50 0 IIAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)c(C)o1 ZINC000048280021 557057358 /nfs/dbraw/zinc/05/73/58/557057358.db2.gz FIAOZONAHGOUSM-UHFFFAOYSA-N 0 0 437.496 4.196 50 0 IIAARN Clc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)n2)cc1 ZINC000010873535 557058713 /nfs/dbraw/zinc/05/87/13/557058713.db2.gz GNLUWLQOBGSZEL-MRXNPFEDSA-N 0 0 446.964 4.053 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000023039563 557058818 /nfs/dbraw/zinc/05/88/18/557058818.db2.gz PIXXIWLORKHVLN-UHFFFAOYSA-N 0 0 433.295 4.073 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1occc1CS(=O)(=O)c1ccccc1 ZINC000023042518 557059514 /nfs/dbraw/zinc/05/95/14/557059514.db2.gz PVLYOMJGWKACME-UHFFFAOYSA-N 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ZINC000032949142 557064073 /nfs/dbraw/zinc/06/40/73/557064073.db2.gz XFZLFCFSTYXZNB-UHFFFAOYSA-N 0 0 432.476 4.428 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(N(C)c3ccccc3)nc2=O)cc1 ZINC000033287412 557064729 /nfs/dbraw/zinc/06/47/29/557064729.db2.gz SKFXYFJOSFODSV-UHFFFAOYSA-N 0 0 426.476 4.006 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048325002 557065849 /nfs/dbraw/zinc/06/58/49/557065849.db2.gz BZIITUQSUUKEQH-OALUTQOASA-N 0 0 435.549 4.360 50 0 IIAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000033288833 557066041 /nfs/dbraw/zinc/06/60/41/557066041.db2.gz FEJOBWYTEPLZSY-UHFFFAOYSA-N 0 0 438.578 4.195 50 0 IIAARN O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000048333126 557068189 /nfs/dbraw/zinc/06/81/89/557068189.db2.gz QAMJPAXGNBQIIL-CYBMUJFWSA-N 0 0 441.247 4.137 50 0 IIAARN COc1ccc(CNC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033283388 557068578 /nfs/dbraw/zinc/06/85/78/557068578.db2.gz ZHAMUAIVYNLHME-UHFFFAOYSA-N 0 0 434.540 4.231 50 0 IIAARN Clc1ccc(-c2cc3ncnc(NC[C@H]([C@@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000048326450 557068673 /nfs/dbraw/zinc/06/86/73/557068673.db2.gz XDWOEZCPXKWZRE-VQIMIIECSA-N 0 0 444.988 4.161 50 0 IIAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(CC)c3)CC2)c1=O ZINC000033290623 557068921 /nfs/dbraw/zinc/06/89/21/557068921.db2.gz TYZPYGFRHLAQIJ-UHFFFAOYSA-N 0 0 433.556 4.159 50 0 IIAARN O=c1c2ccccc2nc(SCc2ccc(OCc3ccccn3)cc2)n1CCCO ZINC000048342732 557071154 /nfs/dbraw/zinc/07/11/54/557071154.db2.gz XBOXXXSSDRJECQ-UHFFFAOYSA-N 0 0 433.533 4.045 50 0 IIAARN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cnc2sccc2c1=O ZINC000023199749 557072983 /nfs/dbraw/zinc/07/29/83/557072983.db2.gz ZOCOWAFBYUIUFZ-UHFFFAOYSA-N 0 0 433.283 4.192 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000048355298 557073594 /nfs/dbraw/zinc/07/35/94/557073594.db2.gz VTIUVFRYSXAJKL-JOCHJYFZSA-N 0 0 428.467 4.071 50 0 IIAARN CC(C)c1noc(CCCC(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)n1 ZINC000048364701 557074706 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IIAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(Cl)ccc3OC)c2c1=O ZINC000048989642 557083321 /nfs/dbraw/zinc/08/33/21/557083321.db2.gz PJHQETKWRFETPM-UHFFFAOYSA-N 0 0 436.899 4.186 50 0 IIAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000049005326 557084253 /nfs/dbraw/zinc/08/42/53/557084253.db2.gz OYYRRBGZZCBXFL-MRXNPFEDSA-N 0 0 438.553 4.100 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 ZINC000049006717 557085444 /nfs/dbraw/zinc/08/54/44/557085444.db2.gz MJJHVPIZCPDTHN-UHFFFAOYSA-N 0 0 444.944 4.490 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1Cl ZINC000033307098 557086082 /nfs/dbraw/zinc/08/60/82/557086082.db2.gz NRYASVIMRGPMFS-YVMONPNESA-N 0 0 441.380 4.022 50 0 IIAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)NCc3ccc(Cl)cc3)cn2)cc1 ZINC000049028215 557088601 /nfs/dbraw/zinc/08/86/01/557088601.db2.gz XRDANTXZUABKGR-UHFFFAOYSA-N 0 0 425.916 4.059 50 0 IIAARN O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)c1 ZINC000033308611 557089517 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COc1cc(-c2ccc(NC(=O)C(F)(F)F)c(OC)c2)ccc1NC(=O)C(F)(F)F ZINC000000755522 557170093 /nfs/dbraw/zinc/17/00/93/557170093.db2.gz PREGTZWJZDWYIG-UHFFFAOYSA-N 0 0 436.308 4.372 50 0 IIAARN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000000758728 557171091 /nfs/dbraw/zinc/17/10/91/557171091.db2.gz FESOBSJLLVLLLO-UHFFFAOYSA-N 0 0 440.609 4.265 50 0 IIAARN CCc1nc(SC[C@@H](O)COc2ccc(OC)cc2)nc(N)c1-c1ccc(Cl)cc1 ZINC000024843851 557173890 /nfs/dbraw/zinc/17/38/90/557173890.db2.gz LLFJLUNVECJMKY-INIZCTEOSA-N 0 0 445.972 4.482 50 0 IIAARN CCc1nc(SC[C@H](O)COc2ccc(OC)cc2)nc(N)c1-c1ccc(Cl)cc1 ZINC000024843855 557173942 /nfs/dbraw/zinc/17/39/42/557173942.db2.gz LLFJLUNVECJMKY-MRXNPFEDSA-N 0 0 445.972 4.482 50 0 IIAARN COc1cccc(N2C[C@@H](C(=O)N3CCC(c4nc5ccccc5s4)CC3)CC2=O)c1 ZINC000024843177 557173963 /nfs/dbraw/zinc/17/39/63/557173963.db2.gz SHRLDWDVGGFKMF-KRWDZBQOSA-N 0 0 435.549 4.064 50 0 IIAARN CCc1c(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cnn1-c1cccc(Cl)c1 ZINC000024863316 557174577 /nfs/dbraw/zinc/17/45/77/557174577.db2.gz VCWTYQNHLOAKNE-MRXNPFEDSA-N 0 0 434.931 4.151 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1 ZINC000010963747 557178204 /nfs/dbraw/zinc/17/82/04/557178204.db2.gz FUNOSWRWKPMOGD-UHFFFAOYSA-N 0 0 445.566 4.042 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000000783415 557180222 /nfs/dbraw/zinc/18/02/22/557180222.db2.gz NORYVNQNSIKKGA-UHFFFAOYSA-N 0 0 431.945 4.445 50 0 IIAARN CCCc1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)n2)cc1 ZINC000024979538 557185289 /nfs/dbraw/zinc/18/52/89/557185289.db2.gz UKPAFKBUTNPFKG-UHFFFAOYSA-N 0 0 447.568 4.055 50 0 IIAARN COc1ccc(OCc2nnc(SCC(=O)c3c(C)n(C)c4ccccc43)n2C)cc1 ZINC000009264550 557185418 /nfs/dbraw/zinc/18/54/18/557185418.db2.gz VIQXBLGMICUMRC-UHFFFAOYSA-N 0 0 436.537 4.178 50 0 IIAARN CC(C)n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009264001 557185499 /nfs/dbraw/zinc/18/54/99/557185499.db2.gz FJYXDGJNAHIVCT-UHFFFAOYSA-N 0 0 430.480 4.042 50 0 IIAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3C)n[nH]2)cc1 ZINC000009306154 557186426 /nfs/dbraw/zinc/18/64/26/557186426.db2.gz IEOJICMXRXVABG-UHFFFAOYSA-N 0 0 433.331 4.282 50 0 IIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000024987972 557186782 /nfs/dbraw/zinc/18/67/82/557186782.db2.gz CADULPRSTBBWML-UHFFFAOYSA-N 0 0 440.912 4.470 50 0 IIAARN COc1ccc(-c2nc(C(=O)Nc3nc(CN4CCCC4)cs3)cs2)cc1OC ZINC000024992954 557187993 /nfs/dbraw/zinc/18/79/93/557187993.db2.gz WWLGUHBKHJQLEK-UHFFFAOYSA-N 0 0 430.555 4.132 50 0 IIAARN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025063475 557193593 /nfs/dbraw/zinc/19/35/93/557193593.db2.gz MQQFXKTXOLNCET-OAQYLSRUSA-N 0 0 442.563 4.130 50 0 IIAARN CCOCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)/C=C/c1ccccc1Cl ZINC000100873669 557196481 /nfs/dbraw/zinc/19/64/81/557196481.db2.gz ZCPCVRZWDGRYBS-KPSTZBGQSA-N 0 0 443.956 4.492 50 0 IIAARN O=C(NC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1)c1ccc(F)cc1 ZINC000025212674 557199765 /nfs/dbraw/zinc/19/97/65/557199765.db2.gz OLOMITLIEWVXMQ-UHFFFAOYSA-N 0 0 439.712 4.276 50 0 IIAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(F)cc3)C(=S)N[C@H]2c2ccc(O)cc2)no1 ZINC000011561222 557199824 /nfs/dbraw/zinc/19/98/24/557199824.db2.gz HCODJCKMDQZLNF-FQEVSTJZSA-N 0 0 438.484 4.176 50 0 IIAARN Cc1ccc(C)c(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)c1 ZINC000096487810 557201165 /nfs/dbraw/zinc/20/11/65/557201165.db2.gz JRHDYCFEIZIRTO-UHFFFAOYSA-N 0 0 435.535 4.283 50 0 IIAARN CC(C)Cn1c(CN(C)[C@H](C)c2ccccn2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000096851293 557205855 /nfs/dbraw/zinc/20/58/55/557205855.db2.gz ISQYAAJEXPURHX-LJQANCHMSA-N 0 0 426.586 4.101 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(F)ccc4F)n3C)oc21 ZINC000010175342 557208186 /nfs/dbraw/zinc/20/81/86/557208186.db2.gz RPTSZESYRHFILX-UHFFFAOYSA-N 0 0 430.436 4.246 50 0 IIAARN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169677567 557209563 /nfs/dbraw/zinc/20/95/63/557209563.db2.gz YRARKSBCNFATOL-CTNGQTDRSA-N 0 0 435.465 4.237 50 0 IIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1nc(-c2cccs2)oc1C)CC3 ZINC000025454806 557210400 /nfs/dbraw/zinc/21/04/00/557210400.db2.gz WVKLRWJFJBPEKO-UHFFFAOYSA-N 0 0 435.505 4.107 50 0 IIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025534697 557213469 /nfs/dbraw/zinc/21/34/69/557213469.db2.gz ZEZZXZXKXDABOU-QHCPKHFHSA-N 0 0 444.572 4.297 50 0 IIAARN O=C(CNc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000011621400 557214599 /nfs/dbraw/zinc/21/45/99/557214599.db2.gz XTRICBDFXFMLAU-UHFFFAOYSA-N 0 0 440.223 4.099 50 0 IIAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCN(c2nccs2)CC1)c1ccc(F)cc1 ZINC000025582254 557216715 /nfs/dbraw/zinc/21/67/15/557216715.db2.gz QKAPSGZLCLRBOO-UHFFFAOYSA-N 0 0 444.919 4.150 50 0 IIAARN O=C(COC(=O)c1n[nH]c(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1 ZINC000025605324 557218404 /nfs/dbraw/zinc/21/84/04/557218404.db2.gz BQMOXUUHGXABMP-UHFFFAOYSA-N 0 0 445.500 4.011 50 0 IIAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000025605195 557218436 /nfs/dbraw/zinc/21/84/36/557218436.db2.gz FHRYUIDJRVRLMI-NRFANRHFSA-N 0 0 433.533 4.360 50 0 IIAARN CCc1ccccc1NC(=O)CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000010997463 557221363 /nfs/dbraw/zinc/22/13/63/557221363.db2.gz PELHOCZPGBUCRZ-UHFFFAOYSA-N 0 0 449.511 4.066 50 0 IIAARN Brc1ccc([C@@H]2CC(c3cccc(Br)c3)=Nc3nnnn32)cc1 ZINC000101071710 557225154 /nfs/dbraw/zinc/22/51/54/557225154.db2.gz ANXSODVPKXEHOC-HNNXBMFYSA-N 0 0 433.107 4.254 50 0 IIAARN c1nnc(-c2ccc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)cc2)o1 ZINC000025784393 557226860 /nfs/dbraw/zinc/22/68/60/557226860.db2.gz MUGGZECIRXAXFJ-UHFFFAOYSA-N 0 0 449.536 4.245 50 0 IIAARN COC(=O)C[C@H]1CCc2c3cc(F)cc(S(C)(=O)=O)c3n(Cc3ccc(Cl)cc3)c21 ZINC000043808023 557229096 /nfs/dbraw/zinc/22/90/96/557229096.db2.gz BTCIUPAZKIUWIE-CQSZACIVSA-N 0 0 449.931 4.479 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000011612743 557230127 /nfs/dbraw/zinc/23/01/27/557230127.db2.gz YMXJXICCFOXHBT-QGZVFWFLSA-N 0 0 443.594 4.485 50 0 IIAARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018061130 557233872 /nfs/dbraw/zinc/23/38/72/557233872.db2.gz FSPQQKSLNXBBCG-VSKRKVRLSA-N 0 0 434.879 4.400 50 0 IIAARN O=C(Cc1ccc(Br)cc1)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000026107304 557234557 /nfs/dbraw/zinc/23/45/57/557234557.db2.gz GPGABFABPNKXET-UHFFFAOYSA-N 0 0 427.342 4.075 50 0 IIAARN COCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000018079682 557235346 /nfs/dbraw/zinc/23/53/46/557235346.db2.gz JNTCVTXURDGEDT-UHFFFAOYSA-N 0 0 430.548 4.367 50 0 IIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000098212275 557235463 /nfs/dbraw/zinc/23/54/63/557235463.db2.gz ZVFKYTSALARBBD-LJQANCHMSA-N 0 0 437.496 4.059 50 0 IIAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000026301577 557238646 /nfs/dbraw/zinc/23/86/46/557238646.db2.gz LNDCCZHMOQPSRD-FXAWDEMLSA-N 0 0 439.537 4.293 50 0 IIAARN COc1ccc(-c2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 ZINC000026390173 557240051 /nfs/dbraw/zinc/24/00/51/557240051.db2.gz LQSFFYNGIBXKGA-VGOFRKELSA-N 0 0 448.491 4.356 50 0 IIAARN COc1ccc(NC(=O)N(Cc2ccc(F)cc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100166995 557245788 /nfs/dbraw/zinc/24/57/88/557245788.db2.gz IBILCJUUNKXQRV-QFIPXVFZSA-N 0 0 447.466 4.201 50 0 IIAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OC ZINC000026687309 557246516 /nfs/dbraw/zinc/24/65/16/557246516.db2.gz QFOMEXWLYPHVPK-QGOAFFKASA-N 0 0 427.551 4.005 50 0 IIAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(Cl)cc1Cl ZINC000018183735 557246666 /nfs/dbraw/zinc/24/66/66/557246666.db2.gz MZSDDMLSKGXGSM-UHFFFAOYSA-N 0 0 436.364 4.350 50 0 IIAARN CSCC[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1nc2ccccc2[nH]1 ZINC000026755333 557247507 /nfs/dbraw/zinc/24/75/07/557247507.db2.gz KKZYMEHLWFHCOI-OAHLLOKOSA-N 0 0 427.555 4.218 50 0 IIAARN COc1ccc([C@H](NC(=O)c2cc(=O)c(OCc3ccccc3)co2)C(C)C)cc1OC ZINC000604405190 557248641 /nfs/dbraw/zinc/24/86/41/557248641.db2.gz MPSGCIVTMTYHOU-XMMPIXPASA-N 0 0 437.492 4.363 50 0 biogenic IIAARN COc1ccc(Cn2nccc2NC(=O)Cc2coc3cc4c(cc23)CCC4)c(OC)c1 ZINC000018234902 557253717 /nfs/dbraw/zinc/25/37/17/557253717.db2.gz OTZDQVQVHONZRY-UHFFFAOYSA-N 0 0 431.492 4.365 50 0 IIAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000027049218 557255884 /nfs/dbraw/zinc/25/58/84/557255884.db2.gz AECANYTXEPMTGO-UHFFFAOYSA-N 0 0 446.370 4.218 50 0 IIAARN CCOc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000027097243 557256896 /nfs/dbraw/zinc/25/68/96/557256896.db2.gz WSBGPLHUVFYLHT-OAHLLOKOSA-N 0 0 442.566 4.413 50 0 IIAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000390830545 557256966 /nfs/dbraw/zinc/25/69/66/557256966.db2.gz LRZOTALKEFRMLB-OAHLLOKOSA-N 0 0 448.791 4.166 50 0 IIAARN COc1ccc(-c2csc(C)n2)cc1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000027382087 557261558 /nfs/dbraw/zinc/26/15/58/557261558.db2.gz NLRHMOCZIDCQJQ-UHFFFAOYSA-N 0 0 442.537 4.012 50 0 IIAARN O=C1[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000101257907 557265086 /nfs/dbraw/zinc/26/50/86/557265086.db2.gz XJTDVSXZTNHNDM-HIFRSBDPSA-N 0 0 429.181 4.305 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100602920 557265717 /nfs/dbraw/zinc/26/57/17/557265717.db2.gz CLDHLEJEAVKJKI-VJBWXMMDSA-N 0 0 432.451 4.276 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000027570634 557265771 /nfs/dbraw/zinc/26/57/71/557265771.db2.gz PALHGAUGSRUORD-AREMUKBSSA-N 0 0 446.572 4.442 50 0 biogenic IIAARN Cc1ncc(CO)c2c1OC1=C(C2)C(=S)NC2(CCCCC2)N1c1ccc(F)cc1 ZINC000101283324 557267399 /nfs/dbraw/zinc/26/73/99/557267399.db2.gz HKODGERAFWSVOM-UHFFFAOYSA-N 0 0 425.529 4.266 50 0 IIAARN CCc1ccc(-n2nc3c4cc(C(=O)N5C[C@@H](C)C[C@H](C)C5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282432 557267403 /nfs/dbraw/zinc/26/74/03/557267403.db2.gz YTVSMOWFUUTGIS-IRXDYDNUSA-N 0 0 428.536 4.499 50 0 IIAARN Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000027662104 557268523 /nfs/dbraw/zinc/26/85/23/557268523.db2.gz RYISJKNWHZDAOE-JOCHJYFZSA-N 0 0 430.976 4.340 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)no2)cc1 ZINC000027662277 557268792 /nfs/dbraw/zinc/26/87/92/557268792.db2.gz QVAIREUVJXVVLZ-KRWDZBQOSA-N 0 0 439.537 4.465 50 0 IIAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000027664161 557270204 /nfs/dbraw/zinc/27/02/04/557270204.db2.gz ISVDIKYAVCLVCG-UHFFFAOYSA-N 0 0 427.913 4.389 50 0 IIAARN COc1cc(CN(C(=O)COc2c(C)cccc2C)c2ccccn2)cc(OC)c1OC ZINC000027664551 557270619 /nfs/dbraw/zinc/27/06/19/557270619.db2.gz YDDKFXXIVMUXKY-UHFFFAOYSA-N 0 0 436.508 4.336 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 ZINC000027668225 557270888 /nfs/dbraw/zinc/27/08/88/557270888.db2.gz NDMUQUDWGOXJPL-FQEVSTJZSA-N 0 0 440.927 4.412 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000027740689 557271859 /nfs/dbraw/zinc/27/18/59/557271859.db2.gz UYYGTMZGHRAJOA-UHFFFAOYSA-N 0 0 449.529 4.082 50 0 IIAARN C[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027793828 557274508 /nfs/dbraw/zinc/27/45/08/557274508.db2.gz PPUOOMZPTNOWLK-AWEZNQCLSA-N 0 0 439.512 4.107 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000100838671 557276982 /nfs/dbraw/zinc/27/69/82/557276982.db2.gz QYDHLFSULMPJBS-RTBURBONSA-N 0 0 442.309 4.390 50 0 IIAARN Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000100915255 557278392 /nfs/dbraw/zinc/27/83/92/557278392.db2.gz UQSXXTBTHMZVBV-FPOVZHCZSA-N 0 0 446.304 4.232 50 0 IIAARN Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000100915251 557278417 /nfs/dbraw/zinc/27/84/17/557278417.db2.gz UQSXXTBTHMZVBV-CTNGQTDRSA-N 0 0 446.304 4.232 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@@H]1c1ccsc1 ZINC000101403199 557280423 /nfs/dbraw/zinc/28/04/23/557280423.db2.gz LNFMOLRNDXSNIC-LJQANCHMSA-N 0 0 431.583 4.335 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101159409 557283918 /nfs/dbraw/zinc/28/39/18/557283918.db2.gz VHJPMGNUJHKDBT-SFHVURJKSA-N 0 0 430.957 4.469 50 0 IIAARN COc1ccc(-n2c(C[C@@H]3c4cc(C)ccc4N(C)C3=O)nc3ccccc3c2=O)cc1 ZINC000101471007 557290492 /nfs/dbraw/zinc/29/04/92/557290492.db2.gz JWDCTVNGKBZVNC-OAQYLSRUSA-N 0 0 425.488 4.005 50 0 IIAARN CN(c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1)S(=O)(=O)c1cccs1 ZINC000014067755 557296743 /nfs/dbraw/zinc/29/67/43/557296743.db2.gz OYANYJKSPRITJR-XLIONFOSSA-N 0 0 448.610 4.133 50 0 IIAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000014068170 557297044 /nfs/dbraw/zinc/29/70/44/557297044.db2.gz IKTVBJKULBEQJP-AREMUKBSSA-N 0 0 447.604 4.167 50 0 IIAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccs3)C2)cc(OC)c1OC ZINC000101755838 557296968 /nfs/dbraw/zinc/29/69/68/557296968.db2.gz UCYKTQSEKVZDGN-MPBGBICISA-N 0 0 438.509 4.431 50 0 IIAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[nH]cc-3c2=O)cc1C ZINC000101828012 557299784 /nfs/dbraw/zinc/29/97/84/557299784.db2.gz UKVLFNWLAXWDKI-UHFFFAOYSA-N 0 0 428.517 4.427 50 0 IIAARN O=C(N[C@@H]1CCSc2ccccc21)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000014119002 557307587 /nfs/dbraw/zinc/30/75/87/557307587.db2.gz LCSYEBLORDRQAQ-FGZHOGPDSA-N 0 0 442.540 4.247 50 0 IIAARN Cc1cc2c(cc1C)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)[C@H]1CCCC1=N2 ZINC000101945588 557307780 /nfs/dbraw/zinc/30/77/80/557307780.db2.gz RDRPGMWHMZHSRB-IBGZPJMESA-N 0 0 448.542 4.011 50 0 IIAARN O=C(CSc1nnc2n1CCCCC2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014141908 557310518 /nfs/dbraw/zinc/31/05/18/557310518.db2.gz HDHZNBMXMVXKLU-HNNXBMFYSA-N 0 0 427.599 4.113 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCCC3)N2[C@H]1c1ccccc1Cl ZINC000102250975 557316543 /nfs/dbraw/zinc/31/65/43/557316543.db2.gz ARVXCIJDRVAFAO-FQEVSTJZSA-N 0 0 445.972 4.491 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(C)cc1C ZINC000102256119 557316648 /nfs/dbraw/zinc/31/66/48/557316648.db2.gz JXFIRYKLPCFLDD-JOCHJYFZSA-N 0 0 439.581 4.454 50 0 IIAARN 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557851361 /nfs/dbraw/zinc/85/13/61/557851361.db2.gz NKVYXBGXMHLYBB-DHIUTWEWSA-N 0 0 430.523 4.431 50 0 IIAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C[C@H]1CCCO1 ZINC000000887442 557856712 /nfs/dbraw/zinc/85/67/12/557856712.db2.gz WXCQPNNWGGDJTA-GFCCVEGCSA-N 0 0 434.871 4.169 50 0 IIAARN COc1ccc2[nH]c(C)c(CCNC(=O)[C@H]3CCCC[C@H]3C(=O)OCC(F)(F)F)c2c1 ZINC000001423642 560180597 /nfs/dbraw/zinc/18/05/97/560180597.db2.gz ZUXLEFNPFXHKRL-DLBZAZTESA-N 0 0 440.462 4.056 50 0 biogenic,in-vitro IIAARN CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1 ZINC000001359318 562921388 /nfs/dbraw/zinc/92/13/88/562921388.db2.gz AHJLESCWKWSVKL-UHFFFAOYSA-N 0 0 446.960 4.024 50 0 aggregator IIAARN O=C1c2cnc3nc(SCc4cccc(Cl)c4)nn3c2C[C@H]2c3ccccc3CCN12 ZINC000001396882 562921713 /nfs/dbraw/zinc/92/17/13/562921713.db2.gz GWXSABDYOSQHRQ-IBGZPJMESA-N 0 0 447.951 4.366 50 0 IIAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000002397454 562927379 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CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000003431290 562935745 /nfs/dbraw/zinc/93/57/45/562935745.db2.gz OYOXYSIAZYCRBY-UHFFFAOYSA-N 0 0 431.448 4.233 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000003431924 562935759 /nfs/dbraw/zinc/93/57/59/562935759.db2.gz DBQAKCWLWNCHLC-UHFFFAOYSA-N 0 0 446.960 4.137 50 0 IIAARN CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614692 562936795 /nfs/dbraw/zinc/93/67/95/562936795.db2.gz YXZBIUZOUDBGGB-RUZDIDTESA-N 0 0 441.487 4.278 50 0 IIAARN CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1cccs1 ZINC000003654227 562937372 /nfs/dbraw/zinc/93/73/72/562937372.db2.gz BDTBSNUVBUAJOE-UHFFFAOYSA-N 0 0 433.532 4.447 50 0 aggregator IIAARN Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000004302281 562943075 /nfs/dbraw/zinc/94/30/75/562943075.db2.gz URXXWCUIYWGBRM-RFLWCCGPSA-N 0 0 436.552 4.339 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2C)cc1 ZINC000006348663 562946714 /nfs/dbraw/zinc/94/67/14/562946714.db2.gz NFDWXCHKUTXJDG-UHFFFAOYSA-N 0 0 429.929 4.186 50 0 IIAARN CCOc1ccc(-c2nonc2NC(=O)COc2c(C)cc(C)cc2C)cc1OCC ZINC000006811488 562948393 /nfs/dbraw/zinc/94/83/93/562948393.db2.gz OOFOYUWTBHOASH-UHFFFAOYSA-N 0 0 425.485 4.477 50 0 IIAARN O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCCC3)nc12)c1ccccc1 ZINC000008589494 562951203 /nfs/dbraw/zinc/95/12/03/562951203.db2.gz TYYUBMJBIGDQNC-UHFFFAOYSA-N 0 0 427.555 4.307 50 0 IIAARN Cc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)cc1 ZINC000008589496 562951214 /nfs/dbraw/zinc/95/12/14/562951214.db2.gz PECZARIAKFETTR-UHFFFAOYSA-N 0 0 435.534 4.092 50 0 IIAARN CC(C)(C)c1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000008590549 562951794 /nfs/dbraw/zinc/95/17/94/562951794.db2.gz NEKXJGRLUPALBO-UHFFFAOYSA-N 0 0 426.538 4.309 50 0 IIAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(C)c(Cl)cc3OC)c(=O)c21 ZINC000008591487 562952074 /nfs/dbraw/zinc/95/20/74/562952074.db2.gz HFAYJALMBBMGMY-UHFFFAOYSA-N 0 0 438.915 4.370 50 0 IIAARN COc1cccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3ccccc3C)c2=O)c1 ZINC000008591723 562952131 /nfs/dbraw/zinc/95/21/31/562952131.db2.gz JYSYQYWTLYQAAZ-UHFFFAOYSA-N 0 0 439.515 4.318 50 0 IIAARN CCCN(C(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C ZINC000008595962 562953705 /nfs/dbraw/zinc/95/37/05/562953705.db2.gz AGCNGHAXRXSWBX-UHFFFAOYSA-N 0 0 434.471 4.332 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000008597767 562954080 /nfs/dbraw/zinc/95/40/80/562954080.db2.gz MGJZRIOLCPKBBW-SFHVURJKSA-N 0 0 440.565 4.011 50 0 IIAARN COc1ccc(Cn2c(CCC(=O)NCc3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000008599425 562954708 /nfs/dbraw/zinc/95/47/08/562954708.db2.gz DSSIOQCLWIFBGC-UHFFFAOYSA-N 0 0 434.927 4.391 50 0 IIAARN O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008601619 562955494 /nfs/dbraw/zinc/95/54/94/562955494.db2.gz ZKNQGHWGERWGLJ-GOSISDBHSA-N 0 0 439.443 4.343 50 0 IIAARN CCN(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000008604302 562956373 /nfs/dbraw/zinc/95/63/73/562956373.db2.gz LANHLPBIMBBKBR-UHFFFAOYSA-N 0 0 432.911 4.089 50 0 IIAARN CCCCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)c1 ZINC000008606608 562957074 /nfs/dbraw/zinc/95/70/74/562957074.db2.gz AYKOCONLZNUJFU-XMMPIXPASA-N 0 0 435.524 4.461 50 0 IIAARN COc1ccc(CC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000008608883 562957561 /nfs/dbraw/zinc/95/75/61/562957561.db2.gz QHQUHFKNGARRNS-OAQYLSRUSA-N 0 0 447.553 4.078 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 ZINC000008612309 562959164 /nfs/dbraw/zinc/95/91/64/562959164.db2.gz TWFGDJCTDRDWRC-UHFFFAOYSA-N 0 0 427.526 4.269 50 0 IIAARN Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1C ZINC000008613613 562959395 /nfs/dbraw/zinc/95/93/95/562959395.db2.gz IPEOEHLRMMOZKY-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000008619667 562959935 /nfs/dbraw/zinc/95/99/35/562959935.db2.gz SOSJIKYRPTYFHZ-UHFFFAOYSA-N 0 0 430.464 4.316 50 0 IIAARN COc1cc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc(OC)c1OC ZINC000008626911 562959993 /nfs/dbraw/zinc/95/99/93/562959993.db2.gz FWWPMEJSYQOBBB-UHFFFAOYSA-N 0 0 426.538 4.425 50 0 IIAARN COc1cc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008671943 562961010 /nfs/dbraw/zinc/96/10/10/562961010.db2.gz UTSLQCHHGMJMDJ-DEOSSOPVSA-N 0 0 448.475 4.208 50 0 IIAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)N1CCOCC1 ZINC000008673786 562961281 /nfs/dbraw/zinc/96/12/81/562961281.db2.gz DABPIAIPUNPBFD-UHFFFAOYSA-N 0 0 447.969 4.153 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccc(F)cc1F ZINC000009138580 562967787 /nfs/dbraw/zinc/96/77/87/562967787.db2.gz NIKNCBGJZHDXRG-UHFFFAOYSA-N 0 0 438.839 4.377 50 0 IIAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000009238673 562968378 /nfs/dbraw/zinc/96/83/78/562968378.db2.gz YAFHLFGTVQUECD-NHCUHLMSSA-N 0 0 433.581 4.415 50 0 IIAARN COc1cccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1OC ZINC000009491366 562972030 /nfs/dbraw/zinc/97/20/30/562972030.db2.gz QRWBTJPGKKOIKO-UHFFFAOYSA-N 0 0 433.508 4.027 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2oc1C(=O)NC1CCCCC1 ZINC000009673183 562975271 /nfs/dbraw/zinc/97/52/71/562975271.db2.gz KNIISGNXGSTDEL-HZPDHXFCSA-N 0 0 432.586 4.470 50 0 IIAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccccc3Br)co2)n1 ZINC000009829229 562977355 /nfs/dbraw/zinc/97/73/55/562977355.db2.gz QIBMWUNAAQYARD-UHFFFAOYSA-N 0 0 447.310 4.321 50 0 IIAARN C[C@@H](Cc1ccccc1)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000009971118 562978169 /nfs/dbraw/zinc/97/81/69/562978169.db2.gz AEIPBBCXMJIOKZ-HNNXBMFYSA-N 0 0 449.561 4.215 50 0 IIAARN CCc1ccc2nc(N(CCCn3ccnc3)C(=O)[C@H]3COc4ccccc4O3)sc2c1 ZINC000010381574 562978701 /nfs/dbraw/zinc/97/87/01/562978701.db2.gz VDQWTUKWJINUGA-OAQYLSRUSA-N 0 0 448.548 4.319 50 0 IIAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccc2N2CCOCC2)c1 ZINC000011938294 562980005 /nfs/dbraw/zinc/98/00/05/562980005.db2.gz MHASYVFJBABUFP-HSZRJFAPSA-N 0 0 430.552 4.133 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCCC1=CCCCC1)nc2C ZINC000015942976 563019775 /nfs/dbraw/zinc/01/97/75/563019775.db2.gz BBCFBLREBPKSGV-IBGZPJMESA-N 0 0 433.556 4.075 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCCC1=CCCCC1)nc2C ZINC000015942978 563019798 /nfs/dbraw/zinc/01/97/98/563019798.db2.gz BBCFBLREBPKSGV-LJQANCHMSA-N 0 0 433.556 4.075 50 0 IIAARN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000015944472 563020272 /nfs/dbraw/zinc/02/02/72/563020272.db2.gz WHOFLKXOROXVNW-GDLZYMKVSA-N 0 0 430.957 4.219 50 0 IIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000015961709 563020527 /nfs/dbraw/zinc/02/05/27/563020527.db2.gz GEQSTNCVOFMQPN-VWLOTQADSA-N 0 0 438.531 4.226 50 0 IIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc(F)cc1 ZINC000017155553 563021488 /nfs/dbraw/zinc/02/14/88/563021488.db2.gz OHPVZRBNOQDAPM-UHFFFAOYSA-N 0 0 428.460 4.359 50 0 IIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000020289792 563024492 /nfs/dbraw/zinc/02/44/92/563024492.db2.gz MZLRVIBSEQHNCE-HTAPYJJXSA-N 0 0 425.554 4.032 50 0 IIAARN COCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCOC ZINC000026183578 563029729 /nfs/dbraw/zinc/02/97/29/563029729.db2.gz LMNRGGOFCABQAE-UHFFFAOYSA-N 0 0 448.317 4.186 50 0 IIAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)NCc1ccccc1 ZINC000000917290 568636742 /nfs/dbraw/zinc/63/67/42/568636742.db2.gz QNLGFSWKRWECIW-UHFFFAOYSA-N 0 0 429.977 4.280 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000000925351 568637781 /nfs/dbraw/zinc/63/77/81/568637781.db2.gz OUPTWKVYPRMXTE-UHFFFAOYSA-N 0 0 443.960 4.322 50 0 IIAARN Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1Cl ZINC000000938892 568639529 /nfs/dbraw/zinc/63/95/29/568639529.db2.gz IIKOSMMVJXRGOK-UHFFFAOYSA-N 0 0 427.839 4.062 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)nc3c2cnn3-c2ccccc2)c1C ZINC000000939390 568640703 /nfs/dbraw/zinc/64/07/03/568640703.db2.gz UMKKTRJTCKQDRQ-UHFFFAOYSA-N 0 0 449.536 4.221 50 0 IIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000000944136 568642989 /nfs/dbraw/zinc/64/29/89/568642989.db2.gz XFFFZVFAMQXKHE-UHFFFAOYSA-N 0 0 433.847 4.024 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 ZINC000000950379 568645118 /nfs/dbraw/zinc/64/51/18/568645118.db2.gz PSMUFZLQHBSWSY-UHFFFAOYSA-N 0 0 435.546 4.498 50 0 IIAARN CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000000950276 568645154 /nfs/dbraw/zinc/64/51/54/568645154.db2.gz IKHWSJSUFMZCRB-UHFFFAOYSA-N 0 0 437.927 4.311 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12 ZINC000000958436 568646233 /nfs/dbraw/zinc/64/62/33/568646233.db2.gz NMBRMARRFPOPEG-UHFFFAOYSA-N 0 0 439.537 4.203 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(CC)cc1Br)CCCC2 ZINC000000998830 568649601 /nfs/dbraw/zinc/64/96/01/568649601.db2.gz FZDZVHVAMURATE-UHFFFAOYSA-N 0 0 426.336 4.035 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000001002492 568650809 /nfs/dbraw/zinc/65/08/09/568650809.db2.gz BUOCCADPFZVKHN-UHFFFAOYSA-N 0 0 428.466 4.236 50 0 IIAARN O=C(NCc1ccc(-n2cccn2)cc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001009168 568651255 /nfs/dbraw/zinc/65/12/55/568651255.db2.gz NLDOWEWYMKTYJJ-UHFFFAOYSA-N 0 0 444.445 4.450 50 0 IIAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001071170 568655042 /nfs/dbraw/zinc/65/50/42/568655042.db2.gz KMMZOKIVXBQADZ-UHFFFAOYSA-N 0 0 438.839 4.155 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001100113 568657931 /nfs/dbraw/zinc/65/79/31/568657931.db2.gz PRCYPFWXYMARGR-UHFFFAOYSA-N 0 0 441.258 4.271 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000001097287 568658804 /nfs/dbraw/zinc/65/88/04/568658804.db2.gz XGNOXKVIIKPGIR-UHFFFAOYSA-N 0 0 430.526 4.101 50 0 IIAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 ZINC000001098822 568659090 /nfs/dbraw/zinc/65/90/90/568659090.db2.gz MVTNDCLNFUKQPG-HSZRJFAPSA-N 0 0 438.574 4.496 50 0 IIAARN CCOC(=O)c1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccccc1OC ZINC000001128400 568661536 /nfs/dbraw/zinc/66/15/36/568661536.db2.gz IQXNLNQTVZWARF-UHFFFAOYSA-N 0 0 434.400 4.458 50 0 biogenic IIAARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Cl)c1ccccc1Br ZINC000001164003 568664624 /nfs/dbraw/zinc/66/46/24/568664624.db2.gz NSDKIQCIFPXJLO-UHFFFAOYSA-N 0 0 440.746 4.329 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 ZINC000003200489 568742952 /nfs/dbraw/zinc/74/29/52/568742952.db2.gz ASRZTTOLAYBBJC-UHFFFAOYSA-N 0 0 442.493 4.265 50 0 IIAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000003201137 568742991 /nfs/dbraw/zinc/74/29/91/568742991.db2.gz JTAIEOYHZVXHMZ-UHFFFAOYSA-N 0 0 432.863 4.477 50 0 IIAARN Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1C ZINC000003316635 568745857 /nfs/dbraw/zinc/74/58/57/568745857.db2.gz VYDXSQZCKSETBK-UHFFFAOYSA-N 0 0 432.596 4.078 50 0 IIAARN CC(C)(CO)NC(=O)Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000044034813 568746265 /nfs/dbraw/zinc/74/62/65/568746265.db2.gz LQGSMOOPLMFXMA-UHFFFAOYSA-N 0 0 430.548 4.277 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 ZINC000003343100 568746811 /nfs/dbraw/zinc/74/68/11/568746811.db2.gz XNISJKHHOBUNFE-GJZGRUSLSA-N 0 0 428.533 4.471 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000003465152 568749876 /nfs/dbraw/zinc/74/98/76/568749876.db2.gz BGQUFHJAMYCNEH-UHFFFAOYSA-N 0 0 445.504 4.097 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003515824 568750305 /nfs/dbraw/zinc/75/03/05/568750305.db2.gz XBRUOSBVLLEGIN-UHFFFAOYSA-N 0 0 439.415 4.421 50 0 IIAARN Cc1cc(NC(=O)COC(=O)c2ccccc2Br)ccc1Br ZINC000003506958 568750367 /nfs/dbraw/zinc/75/03/67/568750367.db2.gz RJKSEORAFBTHDX-UHFFFAOYSA-N 0 0 427.092 4.316 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000003549958 568750654 /nfs/dbraw/zinc/75/06/54/568750654.db2.gz PVWLKQNUMPPGOY-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000003615305 568751475 /nfs/dbraw/zinc/75/14/75/568751475.db2.gz DUYAXVBOOQOMAS-UVSKUAMOSA-N 0 0 444.487 4.276 50 0 IIAARN Cc1ccc(-c2nnc3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)cc1 ZINC000003651520 568752798 /nfs/dbraw/zinc/75/27/98/568752798.db2.gz PXYCXDYJVDEODH-JCMHNJIXSA-N 0 0 425.513 4.253 50 0 IIAARN O=C(OCCCC(F)(F)C(F)(F)F)c1ccccc1C(=O)n1nnc2ccccc21 ZINC000003671073 568754111 /nfs/dbraw/zinc/75/41/11/568754111.db2.gz NGDJFKXYJRSWDP-UHFFFAOYSA-N 0 0 427.329 4.254 50 0 IIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000015316357 568755332 /nfs/dbraw/zinc/75/53/32/568755332.db2.gz FBYRHDZHKPBVPM-UHFFFAOYSA-N 0 0 431.316 4.098 50 0 IIAARN CC(C)CNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 ZINC000299779966 568757015 /nfs/dbraw/zinc/75/70/15/568757015.db2.gz JFXGVYCVLJJFKY-INIZCTEOSA-N 0 0 439.943 4.129 50 0 IIAARN O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1F ZINC000299780485 568757336 /nfs/dbraw/zinc/75/73/36/568757336.db2.gz SHNIRKGMQWOEGZ-GGAORHGYSA-N 0 0 439.531 4.411 50 0 IIAARN C[C@@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000031856325 568758511 /nfs/dbraw/zinc/75/85/11/568758511.db2.gz PEZWKEDDTXAERT-OAHLLOKOSA-N 0 0 440.927 4.286 50 0 IIAARN COc1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn32)c(OC)c1OC ZINC000263587147 568760218 /nfs/dbraw/zinc/76/02/18/568760218.db2.gz CSKPYKXFAPOSRI-UHFFFAOYSA-N 0 0 429.480 4.084 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000015391249 568761552 /nfs/dbraw/zinc/76/15/52/568761552.db2.gz HMCROOALVYKCNH-KRWDZBQOSA-N 0 0 436.961 4.229 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000015391133 568761609 /nfs/dbraw/zinc/76/16/09/568761609.db2.gz MMCRDZONZRZGSR-OAHLLOKOSA-N 0 0 440.924 4.060 50 0 IIAARN Cn1c(=N)n(CC(=O)c2cccc(Br)c2)cc1-c1ccc(Br)cc1 ZINC000334157566 568762135 /nfs/dbraw/zinc/76/21/35/568762135.db2.gz MBFPNSMYJKMRTF-UHFFFAOYSA-N 0 0 449.146 4.381 50 0 IIAARN COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)cc2c1 ZINC000001240244 568774542 /nfs/dbraw/zinc/77/45/42/568774542.db2.gz IVQPKXBRQSUMII-HXUWFJFHSA-N 0 0 429.929 4.316 50 0 IIAARN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CC(C)(C)OC3 ZINC000001250283 568775039 /nfs/dbraw/zinc/77/50/39/568775039.db2.gz SKQTZYARTHYLRE-UHFFFAOYSA-N 0 0 439.566 4.230 50 0 IIAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)N(C)c4ccccc4)nc(N)c23)CO1 ZINC000001254917 568775263 /nfs/dbraw/zinc/77/52/63/568775263.db2.gz LRFIWZILDKKVOY-NRFANRHFSA-N 0 0 428.583 4.270 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 ZINC000263618126 568778003 /nfs/dbraw/zinc/77/80/03/568778003.db2.gz RIYWFZWDLHDQDP-SFHVURJKSA-N 0 0 430.504 4.107 50 0 IIAARN CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001299514 568779043 /nfs/dbraw/zinc/77/90/43/568779043.db2.gz IGGCZSMILFNNPD-HNNXBMFYSA-N 0 0 426.567 4.223 50 0 IIAARN Cc1ccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccccc4C)s3)nc2c1 ZINC000046031588 568786424 /nfs/dbraw/zinc/78/64/24/568786424.db2.gz QXSOSSJIKVXGNG-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN CCOc1ccc(-n2ccn3c(SCc4ccc(F)cc4Cl)nnc3c2=O)cc1 ZINC000046047741 568786921 /nfs/dbraw/zinc/78/69/21/568786921.db2.gz GDQXGUSKUIFNRH-UHFFFAOYSA-N 0 0 430.892 4.364 50 0 IIAARN C[C@@H](OC(=O)CCc1nc(C2CCCC2)no1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000084037712 568790199 /nfs/dbraw/zinc/79/01/99/568790199.db2.gz AJUJPFRAURJRRK-GFCCVEGCSA-N 0 0 441.406 4.129 50 0 IIAARN C[C@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000015496450 568792966 /nfs/dbraw/zinc/79/29/66/568792966.db2.gz IKBHUBYJKUUNRF-ZDUSSCGKSA-N 0 0 438.532 4.086 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1F ZINC000015496397 568793004 /nfs/dbraw/zinc/79/30/04/568793004.db2.gz DQDNXBPJAFEYOU-GFCCVEGCSA-N 0 0 430.484 4.044 50 0 IIAARN COC(=O)c1cc(=O)n(Cc2cccs2)/c(=N/c2cccc(C(F)(F)F)c2)s1 ZINC000001425555 568793761 /nfs/dbraw/zinc/79/37/61/568793761.db2.gz YRHMTADLDWWJRL-XLNRJJMWSA-N 0 0 426.441 4.057 50 0 IIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084344324 568797198 /nfs/dbraw/zinc/79/71/98/568797198.db2.gz RYYUBUMIUFJKAI-NSHDSACASA-N 0 0 425.361 4.438 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015541269 568797326 /nfs/dbraw/zinc/79/73/26/568797326.db2.gz SGIANRFTQIMJSW-LJQANCHMSA-N 0 0 441.578 4.058 50 0 IIAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(OC)cc3)n2)cc1 ZINC000015670177 568802100 /nfs/dbraw/zinc/80/21/00/568802100.db2.gz MEURDQSGWUPORK-HXUWFJFHSA-N 0 0 440.507 4.078 50 0 IIAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1 ZINC000015670285 568802110 /nfs/dbraw/zinc/80/21/10/568802110.db2.gz LGHJROYOMXGTCL-LJQANCHMSA-N 0 0 440.507 4.296 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(Cl)c3)n2)c1 ZINC000015670541 568802541 /nfs/dbraw/zinc/80/25/41/568802541.db2.gz JIGRZZULUYNQCI-SFHVURJKSA-N 0 0 446.898 4.169 50 0 IIAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678226 568804733 /nfs/dbraw/zinc/80/47/33/568804733.db2.gz NTKWMAZINDQYCV-VWLOTQADSA-N 0 0 441.572 4.228 50 0 IIAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)NCc1ccc(C)cc1 ZINC000015680342 568806139 /nfs/dbraw/zinc/80/61/39/568806139.db2.gz WFSDAGSLAXYINB-UHFFFAOYSA-N 0 0 441.553 4.080 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)N1CCc2ccccc2C1 ZINC000015680790 568806392 /nfs/dbraw/zinc/80/63/92/568806392.db2.gz VVQOABJJZPIQOY-UHFFFAOYSA-N 0 0 444.556 4.200 50 0 IIAARN COCCCNC(=O)c1ccc(-c2nc(C[S@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682288 568807087 /nfs/dbraw/zinc/80/70/87/568807087.db2.gz HPVDHFJFWTZVPD-SSEXGKCCSA-N 0 0 426.538 4.033 50 0 IIAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000015729584 568813678 /nfs/dbraw/zinc/81/36/78/568813678.db2.gz WDFSCTUMHGMHDR-UHFFFAOYSA-N 0 0 435.281 4.104 50 0 IIAARN COc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000015733410 568815859 /nfs/dbraw/zinc/81/58/59/568815859.db2.gz BIYAFEDOQBZQOK-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN CCOc1ccc(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c2nc(C)cc3C)cc1 ZINC000015735948 568816918 /nfs/dbraw/zinc/81/69/18/568816918.db2.gz DNXLBNDGFQFBJK-UHFFFAOYSA-N 0 0 431.540 4.171 50 0 IIAARN CCN1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2)CC1 ZINC000085405810 568817848 /nfs/dbraw/zinc/81/78/48/568817848.db2.gz SARVEMZJBPQFCV-UHFFFAOYSA-N 0 0 431.367 4.098 50 0 IIAARN COc1ccc(-n2c(SCc3ccccc3C(N)=O)nnc2-c2cccc(OC)c2)cc1 ZINC000085421435 568819669 /nfs/dbraw/zinc/81/96/69/568819669.db2.gz UAVLKKCZFGSUQD-UHFFFAOYSA-N 0 0 446.532 4.343 50 0 IIAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000006085352 568822347 /nfs/dbraw/zinc/82/23/47/568822347.db2.gz QTNCMNMWXIXEHR-UHFFFAOYSA-N 0 0 425.525 4.459 50 0 IIAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2C)cc1 ZINC000015777220 568823865 /nfs/dbraw/zinc/82/38/65/568823865.db2.gz LJBWVSRCUWSDNE-UHFFFAOYSA-N 0 0 438.524 4.167 50 0 IIAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5Cl)no4)ccc3c2=O)cc1 ZINC000085601819 568827195 /nfs/dbraw/zinc/82/71/95/568827195.db2.gz DVYNTFRHRPEOSY-UHFFFAOYSA-N 0 0 446.850 4.058 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c(C)c1 ZINC000017070400 568828701 /nfs/dbraw/zinc/82/87/01/568828701.db2.gz PPHUACFHTZEZNM-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN COc1ccc(CCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1OC ZINC000012821307 568830751 /nfs/dbraw/zinc/83/07/51/568830751.db2.gz XYLWVMHMLQLDTJ-UHFFFAOYSA-N 0 0 444.329 4.282 50 0 IIAARN O=C(c1ccccc1)n1ccnc1C1N(C(=O)c2ccccc2)C=CN1C(=O)c1ccccc1 ZINC000001506235 568834048 /nfs/dbraw/zinc/83/40/48/568834048.db2.gz DQMYMCZOJWGALZ-UHFFFAOYSA-N 0 0 448.482 4.340 50 0 IIAARN Cc1cc(NC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)ccc1Br ZINC000015786389 568836155 /nfs/dbraw/zinc/83/61/55/568836155.db2.gz RIIINEDKWWVBMN-UHFFFAOYSA-N 0 0 440.345 4.050 50 0 IIAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)s1 ZINC000000801978 568836446 /nfs/dbraw/zinc/83/64/46/568836446.db2.gz OITDWBKRWVXCHH-UHFFFAOYSA-N 0 0 434.550 4.350 50 0 IIAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(F)c3)C2=O)c1 ZINC000015827024 568840934 /nfs/dbraw/zinc/84/09/34/568840934.db2.gz WQGQVVVFRYBJTH-UHFFFAOYSA-N 0 0 426.469 4.478 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000015827882 568841080 /nfs/dbraw/zinc/84/10/80/568841080.db2.gz RLFRPWKONFHPRZ-UHFFFAOYSA-N 0 0 428.464 4.088 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000015828284 568841234 /nfs/dbraw/zinc/84/12/34/568841234.db2.gz BYBPXWOZLDPAMM-QFIPXVFZSA-N 0 0 437.540 4.311 50 0 IIAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1=O ZINC000015843029 568844688 /nfs/dbraw/zinc/84/46/88/568844688.db2.gz QXYBMYLJUBSHJX-INIZCTEOSA-N 0 0 436.489 4.044 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146795 568846262 /nfs/dbraw/zinc/84/62/62/568846262.db2.gz BCOSTDIWYIJCIE-UHFFFAOYSA-N 0 0 436.867 4.349 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862104 568848472 /nfs/dbraw/zinc/84/84/72/568848472.db2.gz LHJNSVDGTUIDSJ-UHFFFAOYSA-N 0 0 439.518 4.358 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1 ZINC000015865792 568850481 /nfs/dbraw/zinc/85/04/81/568850481.db2.gz TXSOOYVTIADSMV-HXUWFJFHSA-N 0 0 428.579 4.400 50 0 IIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 ZINC000015867983 568851435 /nfs/dbraw/zinc/85/14/35/568851435.db2.gz LWMIZKCRKLBNCB-HXUWFJFHSA-N 0 0 440.507 4.294 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccccc4C)CC3)[nH]c2c1 ZINC000015868706 568852287 /nfs/dbraw/zinc/85/22/87/568852287.db2.gz HICJYFWYUZCJKY-GOSISDBHSA-N 0 0 433.552 4.290 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000015882196 568856727 /nfs/dbraw/zinc/85/67/27/568856727.db2.gz ZFKTYFMQJJLFDI-UHFFFAOYSA-N 0 0 438.553 4.189 50 0 IIAARN O=C(Cc1cccc2ccccc21)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414576 568862481 /nfs/dbraw/zinc/86/24/81/568862481.db2.gz BVAAKQYVLFOQNT-JOCHJYFZSA-N 0 0 427.953 4.424 50 0 IIAARN CCCCOC(=O)c1ccc(NCC(=O)NCCc2ccc(OCC)c(OCC)c2)cc1 ZINC000016035684 568867864 /nfs/dbraw/zinc/86/78/64/568867864.db2.gz ZDONVIAYISASIQ-UHFFFAOYSA-N 0 0 442.556 4.212 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000016042588 568868317 /nfs/dbraw/zinc/86/83/17/568868317.db2.gz APLBFUCQJIMXLC-BFUOFWGJSA-N 0 0 429.513 4.435 50 0 IIAARN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000575443103 568868902 /nfs/dbraw/zinc/86/89/02/568868902.db2.gz UPSPIEHURCGJQU-FYYLOGMGSA-N 0 0 435.955 4.015 50 0 IIAARN CC(C)(C)c1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000012944899 568870547 /nfs/dbraw/zinc/87/05/47/568870547.db2.gz PVBWTKGSLARZDU-UHFFFAOYSA-N 0 0 426.538 4.150 50 0 IIAARN Cn1cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c2ccccc21 ZINC000026206706 568875698 /nfs/dbraw/zinc/87/56/98/568875698.db2.gz NATWFORBIOQHEB-IBGZPJMESA-N 0 0 433.489 4.368 50 0 IIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000575608249 568878424 /nfs/dbraw/zinc/87/84/24/568878424.db2.gz SGKCDJWRXPYBJM-UHFFFAOYSA-N 0 0 439.397 4.317 50 0 IIAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000575610973 568879105 /nfs/dbraw/zinc/87/91/05/568879105.db2.gz CRIGVCHOSPQMHZ-MHZLTWQESA-N 0 0 430.548 4.390 50 0 IIAARN O=S(=O)(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc2c(c1)OCCCO2 ZINC000026544091 568880309 /nfs/dbraw/zinc/88/03/09/568880309.db2.gz DFNCWPIWKNGFEV-UHFFFAOYSA-N 0 0 429.469 4.367 50 0 IIAARN Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccsc1 ZINC000575616446 568881498 /nfs/dbraw/zinc/88/14/98/568881498.db2.gz ZNTKOQYXDKEDSP-UHFFFAOYSA-N 0 0 443.516 4.367 50 0 IIAARN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1csc2ccccc21 ZINC000575622142 568883211 /nfs/dbraw/zinc/88/32/11/568883211.db2.gz WLQJCWAJKFHGFI-KRWDZBQOSA-N 0 0 435.471 4.278 50 0 IIAARN Cc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1C ZINC000012979265 568891798 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/nfs/dbraw/zinc/93/19/08/568931908.db2.gz BNJIJADQBUXVBV-NRFANRHFSA-N 0 0 435.501 4.022 50 0 IIAARN Cc1cccc(-n2c(CN3CCN(C(=O)Nc4ccc(F)cc4)CC3)nc3cccnc32)c1 ZINC000064578786 568934071 /nfs/dbraw/zinc/93/40/71/568934071.db2.gz GJDLZJULUFUULD-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1C ZINC000064593526 568935859 /nfs/dbraw/zinc/93/58/59/568935859.db2.gz GURRUDLUSQBXKO-GOSISDBHSA-N 0 0 432.549 4.477 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc12 ZINC000006603694 568938925 /nfs/dbraw/zinc/93/89/25/568938925.db2.gz GQTNMHNJYZSQGP-ZRGWGRIASA-N 0 0 425.554 4.493 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604941 568939108 /nfs/dbraw/zinc/93/91/08/568939108.db2.gz JVTLNWPGGKBPDQ-NRFANRHFSA-N 0 0 438.915 4.420 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)cc1 ZINC000064611242 568939930 /nfs/dbraw/zinc/93/99/30/568939930.db2.gz 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CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000036083729 568947408 /nfs/dbraw/zinc/94/74/08/568947408.db2.gz MSRZFEWKTTWSBR-FQEVSTJZSA-N 0 0 432.879 4.462 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000064747694 568950054 /nfs/dbraw/zinc/95/00/54/568950054.db2.gz ULEZVCMQYZSAKV-QGZVFWFLSA-N 0 0 430.411 4.401 50 0 IIAARN Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cc(C)ccc4C)ccc32)cc1 ZINC000064748017 568950559 /nfs/dbraw/zinc/95/05/59/568950559.db2.gz PVDRYZRLFVURKC-UHFFFAOYSA-N 0 0 441.535 4.315 50 0 IIAARN CNC(=O)c1sc2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2c1OC ZINC000064755668 568951196 /nfs/dbraw/zinc/95/11/96/568951196.db2.gz CLZIVCJCSHXFCP-UHFFFAOYSA-N 0 0 432.567 4.269 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C(=O)CC(C)C)cc1OCc1nc(CO)cs1 ZINC000036094279 568951217 /nfs/dbraw/zinc/95/12/17/568951217.db2.gz CEXVLUFAKCXAKG-UHFFFAOYSA-N 0 0 444.553 4.391 50 0 IIAARN CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5cccs5)CC4)cc23)CC1 ZINC000064761608 568952674 /nfs/dbraw/zinc/95/26/74/568952674.db2.gz JHTZQIWXBXQPJA-UHFFFAOYSA-N 0 0 436.581 4.288 50 0 IIAARN C[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776027 568955110 /nfs/dbraw/zinc/95/51/10/568955110.db2.gz ROQWZIMKMHXOIJ-RLDIHHFQSA-N 0 0 432.568 4.170 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C2CC2)cc1 ZINC000036115379 568955277 /nfs/dbraw/zinc/95/52/77/568955277.db2.gz KHWNUDZLWKLRQW-UHFFFAOYSA-N 0 0 444.578 4.392 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C2CC2)c(C)c1 ZINC000036118718 568955928 /nfs/dbraw/zinc/95/59/28/568955928.db2.gz RGKCDDPOVPVBEO-NRFANRHFSA-N 0 0 438.593 4.271 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccc(C)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788178 568956648 /nfs/dbraw/zinc/95/66/48/568956648.db2.gz CUMFFHJJZOPBHW-XMMPIXPASA-N 0 0 443.547 4.177 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788012 568956981 /nfs/dbraw/zinc/95/69/81/568956981.db2.gz VRQAIDHUKSVMGH-UHFFFAOYSA-N 0 0 439.880 4.115 50 0 IIAARN CC(C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3cccnc3)nc2n1 ZINC000064791014 568957462 /nfs/dbraw/zinc/95/74/62/568957462.db2.gz GSMJNOGAYFCJPD-UHFFFAOYSA-N 0 0 433.947 4.290 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)=O ZINC000036121658 568957812 /nfs/dbraw/zinc/95/78/12/568957812.db2.gz XLJFNUCCHNXUOB-KKSFZXQISA-N 0 0 432.561 4.287 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121757 568958009 /nfs/dbraw/zinc/95/80/09/568958009.db2.gz UJUIEHVZZUBRBD-OAQYLSRUSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122625 568958225 /nfs/dbraw/zinc/95/82/25/568958225.db2.gz SSXICNBFVZMDCI-OAQYLSRUSA-N 0 0 443.613 4.329 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)NCC ZINC000036122854 568958312 /nfs/dbraw/zinc/95/83/12/568958312.db2.gz RSSVKJAVTUBHCK-FQEVSTJZSA-N 0 0 429.586 4.003 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC(C)C ZINC000036123853 568958715 /nfs/dbraw/zinc/95/87/15/568958715.db2.gz ZXPFSYVRBROALM-HXUWFJFHSA-N 0 0 443.613 4.249 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC1CC1 ZINC000036124039 568958764 /nfs/dbraw/zinc/95/87/64/568958764.db2.gz YGMXPSFUJTZWNG-HXUWFJFHSA-N 0 0 441.597 4.003 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(C)c(C)c2)c1C ZINC000064792261 568959297 /nfs/dbraw/zinc/95/92/97/568959297.db2.gz VMQNZTCBJNLRCK-UHFFFAOYSA-N 0 0 429.524 4.074 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCCCCC1 ZINC000064792882 568959533 /nfs/dbraw/zinc/95/95/33/568959533.db2.gz XPYLBKUSJIUQKR-JOCHJYFZSA-N 0 0 448.958 4.180 50 0 IIAARN COC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1-c1cc(C)cc(C)c1 ZINC000064793929 568959717 /nfs/dbraw/zinc/95/97/17/568959717.db2.gz RDRCSJYBVJLCEK-UHFFFAOYSA-N 0 0 425.539 4.008 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)N1CCCCCC1 ZINC000064793583 568959735 /nfs/dbraw/zinc/95/97/35/568959735.db2.gz LIYFLZKTCIZEPG-QFIPXVFZSA-N 0 0 448.958 4.180 50 0 IIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064798998 568960532 /nfs/dbraw/zinc/96/05/32/568960532.db2.gz XNAZNMSKBWNIJT-SFHVURJKSA-N 0 0 443.546 4.462 50 0 IIAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064801845 568961443 /nfs/dbraw/zinc/96/14/43/568961443.db2.gz VLTJSVFJZVJTTO-UHFFFAOYSA-N 0 0 427.505 4.069 50 0 IIAARN Cc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815757 568963553 /nfs/dbraw/zinc/96/35/53/568963553.db2.gz SUBDKAKIQKNEOS-VWLOTQADSA-N 0 0 448.592 4.394 50 0 IIAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064814506 568964053 /nfs/dbraw/zinc/96/40/53/568964053.db2.gz IZQNYZMFLMYGIH-UHFFFAOYSA-N 0 0 445.495 4.208 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817253 568964470 /nfs/dbraw/zinc/96/44/70/568964470.db2.gz YLCHSUKFUPEIAS-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN COc1cc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc(OC)c1OC ZINC000064819975 568966757 /nfs/dbraw/zinc/96/67/57/568966757.db2.gz MAYZKBSRCSYADX-UHFFFAOYSA-N 0 0 439.537 4.193 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1F ZINC000036165898 568968382 /nfs/dbraw/zinc/96/83/82/568968382.db2.gz XJLQOUBYRHRYGJ-HSZRJFAPSA-N 0 0 428.529 4.155 50 0 IIAARN CN(CCc1noc(COc2ccccc2F)n1)C(=O)Nc1ccc(Br)cc1 ZINC000064840370 568969803 /nfs/dbraw/zinc/96/98/03/568969803.db2.gz YVNZMWOACKXBRM-UHFFFAOYSA-N 0 0 449.280 4.257 50 0 IIAARN CCCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000064841831 568970459 /nfs/dbraw/zinc/97/04/59/568970459.db2.gz RFELZEAEKLNVAY-UHFFFAOYSA-N 0 0 443.569 4.081 50 0 IIAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3cccc(Cl)c3C)no2)c1 ZINC000064841885 568970486 /nfs/dbraw/zinc/97/04/86/568970486.db2.gz FVMJNBLNIJOPML-UHFFFAOYSA-N 0 0 449.960 4.090 50 0 IIAARN COc1ccc(-c2nn([C@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842752 568971032 /nfs/dbraw/zinc/97/10/32/568971032.db2.gz NLUGMPWFZRALHO-OAHLLOKOSA-N 0 0 432.480 4.185 50 0 IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)N2 ZINC000064848130 568971512 /nfs/dbraw/zinc/97/15/12/568971512.db2.gz XUDSJTGGFUVIGV-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN COc1ccccc1/C=C/C(=O)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000064889514 568980433 /nfs/dbraw/zinc/98/04/33/568980433.db2.gz HEQUSSPVJUXQKS-SDNWHVSQSA-N 0 0 444.535 4.375 50 0 IIAARN COc1ccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246412 568981872 /nfs/dbraw/zinc/98/18/72/568981872.db2.gz HOAQEOSQGWAYST-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(F)cc2)cc1 ZINC000036247373 568982353 /nfs/dbraw/zinc/98/23/53/568982353.db2.gz WIJIBDGSNZIAHQ-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN O=C(c1ccccc1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC1CC1 ZINC000036249303 568983215 /nfs/dbraw/zinc/98/32/15/568983215.db2.gz DRYRVTUUGZOFHA-UHFFFAOYSA-N 0 0 435.499 4.370 50 0 IIAARN CCCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036250760 568984226 /nfs/dbraw/zinc/98/42/26/568984226.db2.gz NYWLKWARCGDUGP-FQEVSTJZSA-N 0 0 440.415 4.178 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1Cl ZINC000064924668 568986193 /nfs/dbraw/zinc/98/61/93/568986193.db2.gz DKFQTYJOSCFHDR-UHFFFAOYSA-N 0 0 438.963 4.494 50 0 IIAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000064928073 568987086 /nfs/dbraw/zinc/98/70/86/568987086.db2.gz NQDWBJBBCBDICC-UHFFFAOYSA-N 0 0 447.894 4.158 50 0 IIAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(CC)cc4)n3)C2)cc1 ZINC000064928321 568987450 /nfs/dbraw/zinc/98/74/50/568987450.db2.gz QHYYGIYGCATPSC-OAQYLSRUSA-N 0 0 430.552 4.212 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c(C)c1 ZINC000064928431 568987648 /nfs/dbraw/zinc/98/76/48/568987648.db2.gz DOVOYEYJSNOHBH-LJQANCHMSA-N 0 0 434.515 4.152 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)ccc2=O)cc1Cl ZINC000064928671 568987827 /nfs/dbraw/zinc/98/78/27/568987827.db2.gz UFYKVCGBGLSWMT-INIZCTEOSA-N 0 0 440.906 4.189 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930022 568988411 /nfs/dbraw/zinc/98/84/11/568988411.db2.gz SVUMTWNUXIIMKL-QGZVFWFLSA-N 0 0 440.500 4.306 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930021 568988446 /nfs/dbraw/zinc/98/84/46/568988446.db2.gz SUQQZDBVRQLBRM-SFHVURJKSA-N 0 0 440.500 4.306 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)NCc2ccc(F)cc2)s1 ZINC000064930546 568989090 /nfs/dbraw/zinc/98/90/90/568989090.db2.gz LMKFGFBKERCMTE-QGZVFWFLSA-N 0 0 443.479 4.115 50 0 IIAARN COc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4F)cc32)cc1 ZINC000169681166 568991671 /nfs/dbraw/zinc/99/16/71/568991671.db2.gz WPEXUZOKKUAHSJ-UHFFFAOYSA-N 0 0 442.450 4.098 50 0 IIAARN O=C(Nc1ccccc1F)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681224 568992744 /nfs/dbraw/zinc/99/27/44/568992744.db2.gz WLXZVNAIQGIAIH-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN CCN(CC)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310764 568996889 /nfs/dbraw/zinc/99/68/89/568996889.db2.gz SQEJFSNXGMHMLA-HSZRJFAPSA-N 0 0 428.621 4.387 50 0 IIAARN CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)CC(C)C ZINC000036312147 568997529 /nfs/dbraw/zinc/99/75/29/568997529.db2.gz OVVIVOWGIUMPOG-SFHVURJKSA-N 0 0 430.568 4.406 50 0 IIAARN CCc1ccc2occ(CC(=O)N(Cc3ccc(C)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000006809831 568999441 /nfs/dbraw/zinc/99/94/41/568999441.db2.gz UYMGEEOBUKQWJZ-NRFANRHFSA-N 0 0 425.550 4.062 50 0 IIAARN Cc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000064959413 568999665 /nfs/dbraw/zinc/99/96/65/568999665.db2.gz IKKISQSKWKZLSS-UHFFFAOYSA-N 0 0 439.581 4.308 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c2cc(C)ccc2O1 ZINC000169683640 568999866 /nfs/dbraw/zinc/99/98/66/568999866.db2.gz QFPVSQUJWVVYMZ-NVXWUHKLSA-N 0 0 446.594 4.208 50 0 IIAARN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(CCOC)C[C@H](C)O ZINC000036316367 568999868 /nfs/dbraw/zinc/99/98/68/568999868.db2.gz JHIZVZQTAXTVGK-IBGZPJMESA-N 0 0 439.556 4.065 50 0 IIAARN O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NC1CCCCCC1 ZINC000064971539 569076724 /nfs/dbraw/zinc/07/67/24/569076724.db2.gz FROMASQZWKGIQR-UHFFFAOYSA-N 0 0 438.503 4.050 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972035 569076753 /nfs/dbraw/zinc/07/67/53/569076753.db2.gz GWTIIVAURXUXNE-OAQYLSRUSA-N 0 0 426.925 4.094 50 0 IIAARN CCc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000064971760 569076847 /nfs/dbraw/zinc/07/68/47/569076847.db2.gz GAZSRVZUAGRVAA-UHFFFAOYSA-N 0 0 428.492 4.383 50 0 IIAARN CCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C)c1 ZINC000064972378 569076891 /nfs/dbraw/zinc/07/68/91/569076891.db2.gz ORFWUCSHFZTPKP-DEOSSOPVSA-N 0 0 434.561 4.312 50 0 IIAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)CSc2ccccc2)c1 ZINC000064976724 569077134 /nfs/dbraw/zinc/07/71/34/569077134.db2.gz FLGGLKZIUZMHEB-UHFFFAOYSA-N 0 0 437.546 4.374 50 0 IIAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1 ZINC000064977427 569077162 /nfs/dbraw/zinc/07/71/62/569077162.db2.gz JKELBTWDOBXLHP-UHFFFAOYSA-N 0 0 430.439 4.322 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000064977017 569077378 /nfs/dbraw/zinc/07/73/78/569077378.db2.gz UNYFTXMUZMLGRA-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccccc4Cl)ccc32)cc1 ZINC000064976982 569077379 /nfs/dbraw/zinc/07/73/79/569077379.db2.gz YINXEYXYQBSIJI-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN CCOc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000064977854 569077688 /nfs/dbraw/zinc/07/76/88/569077688.db2.gz DVJWDYLLSYWLSZ-UHFFFAOYSA-N 0 0 438.487 4.301 50 0 IIAARN Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC3(CC2)OCCO3)cc1 ZINC000036342511 569079459 /nfs/dbraw/zinc/07/94/59/569079459.db2.gz 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CC(C)C[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000036579862 569119571 /nfs/dbraw/zinc/11/95/71/569119571.db2.gz GZLCBJVZGDHROE-AOYPEHQESA-N 0 0 444.575 4.199 50 0 IIAARN CCN1c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2Sc2ncccc2C1=O ZINC000065241350 569120950 /nfs/dbraw/zinc/12/09/50/569120950.db2.gz FYGSXUFVTCFLCK-UHFFFAOYSA-N 0 0 433.489 4.252 50 0 IIAARN C[C@H](NC(=O)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1)c1ccccc1 ZINC000065250800 569122135 /nfs/dbraw/zinc/12/21/35/569122135.db2.gz VMKGKOQWJZABBJ-KRWDZBQOSA-N 0 0 436.475 4.475 50 0 IIAARN O=C(Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1cccc(Br)c1 ZINC000065250372 569122150 /nfs/dbraw/zinc/12/21/50/569122150.db2.gz NZJGQZRWUBZPFY-UHFFFAOYSA-N 0 0 442.248 4.140 50 0 IIAARN CCn1c(=O)c2cc(C)sc2nc1SCC(=O)Nc1c(F)c(F)cc(F)c1F ZINC000036615184 569122436 /nfs/dbraw/zinc/12/24/36/569122436.db2.gz LBKQPXLMQAZSHP-UHFFFAOYSA-N 0 0 431.436 4.074 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c12 ZINC000036615823 569122640 /nfs/dbraw/zinc/12/26/40/569122640.db2.gz WMADHNAGFMIDFA-UHFFFAOYSA-N 0 0 449.555 4.102 50 0 IIAARN COc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)S(=O)(=O)c3cccnc32)c1 ZINC000065255449 569122895 /nfs/dbraw/zinc/12/28/95/569122895.db2.gz ANTKXOZEFQHEMH-UHFFFAOYSA-N 0 0 429.885 4.206 50 0 IIAARN Cc1nn(CCNC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)c(C)c1Cl ZINC000036613231 569123710 /nfs/dbraw/zinc/12/37/10/569123710.db2.gz NXBYZLDRBRXWHX-UHFFFAOYSA-N 0 0 427.867 4.234 50 0 IIAARN CN1c2ccc(NC(=O)COc3ccc(F)c(F)c3)cc2Sc2ncccc2C1=O ZINC000065258436 569124468 /nfs/dbraw/zinc/12/44/68/569124468.db2.gz CZUUQBXCDWLWPE-UHFFFAOYSA-N 0 0 427.432 4.119 50 0 IIAARN COc1cccc(CNC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1 ZINC000065260022 569124990 /nfs/dbraw/zinc/12/49/90/569124990.db2.gz ATRAAJFBZNCGHN-AREMUKBSSA-N 0 0 447.583 4.427 50 0 biogenic IIAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)c(OC)c1 ZINC000065260069 569124997 /nfs/dbraw/zinc/12/49/97/569124997.db2.gz TXMDWRYVRYCLDD-VWLOTQADSA-N 0 0 436.556 4.222 50 0 IIAARN COc1ccc(OCC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)cc1 ZINC000065260006 569125022 /nfs/dbraw/zinc/12/50/22/569125022.db2.gz CLPIKEYUEJWYLF-AREMUKBSSA-N 0 0 448.567 4.123 50 0 IIAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000013137147 569125690 /nfs/dbraw/zinc/12/56/90/569125690.db2.gz SAOOETUNWKBLOQ-UHFFFAOYSA-N 0 0 440.546 4.103 50 0 IIAARN CCn1cc2c(n1)n(CCC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)cc2C(F)F ZINC000036621243 569126079 /nfs/dbraw/zinc/12/60/79/569126079.db2.gz YFFWPQGLCHJAQG-UHFFFAOYSA-N 0 0 428.361 4.203 50 0 IIAARN CCn1cc2c(n1)n(CCC(=O)Nc1ccc(F)c(Cl)c1)c(=O)cc2C(F)(F)F ZINC000036621524 569126189 /nfs/dbraw/zinc/12/61/89/569126189.db2.gz XOHSUWIADPTYIB-UHFFFAOYSA-N 0 0 430.789 4.058 50 0 IIAARN COc1cccc(NC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)c1 ZINC000065272122 569128912 /nfs/dbraw/zinc/12/89/12/569128912.db2.gz AQYYJDGWYTWVHL-UHFFFAOYSA-N 0 0 446.536 4.012 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)sc2c1 ZINC000036664744 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4.494 50 0 IIAARN Cc1c(S(=O)(=O)NCc2ccccn2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065305102 569132959 /nfs/dbraw/zinc/13/29/59/569132959.db2.gz WLGAGKNBUHHBFL-UHFFFAOYSA-N 0 0 442.541 4.137 50 0 IIAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)CC1 ZINC000065315439 569133978 /nfs/dbraw/zinc/13/39/78/569133978.db2.gz YYELOSWMSHXRDK-UHFFFAOYSA-N 0 0 437.544 4.327 50 0 IIAARN COCCCNC(=O)C1CCN(c2ccc(Sc3ccc(C(C)C)cc3)nn2)CC1 ZINC000065314871 569135678 /nfs/dbraw/zinc/13/56/78/569135678.db2.gz ICYHCASLUMIKJD-UHFFFAOYSA-N 0 0 428.602 4.120 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000065315085 569135711 /nfs/dbraw/zinc/13/57/11/569135711.db2.gz HOPIXTGCTLLIQG-UHFFFAOYSA-N 0 0 435.977 4.261 50 0 IIAARN Cc1cccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C ZINC000065315200 569135827 /nfs/dbraw/zinc/13/58/27/569135827.db2.gz FNSFYUBXHYLKRI-UHFFFAOYSA-N 0 0 433.549 4.055 50 0 IIAARN CCc1cccc2sc(N3CCN(C(=O)Nc4cccc(OC)c4OC)CC3)nc21 ZINC000036709068 569136155 /nfs/dbraw/zinc/13/61/55/569136155.db2.gz JUHPKAQZXRWESX-UHFFFAOYSA-N 0 0 426.542 4.230 50 0 IIAARN COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3cnc(Br)cn32)c1 ZINC000065331641 569137349 /nfs/dbraw/zinc/13/73/49/569137349.db2.gz JBPWEDOQYFBQNA-UHFFFAOYSA-N 0 0 439.269 4.395 50 0 IIAARN CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C12CC3CC(CC(C3)C1)C2 ZINC000036747879 569137507 /nfs/dbraw/zinc/13/75/07/569137507.db2.gz RBZBSWAACYYVRY-YFZSMNHSSA-N 0 0 448.629 4.107 50 0 IIAARN Cc1nc2c(c(N3CCC(NC(=O)Cc4cccc(C(F)(F)F)c4)CC3)n1)CCCC2 ZINC000238863743 569137740 /nfs/dbraw/zinc/13/77/40/569137740.db2.gz LGWREFOQHPSNCS-UHFFFAOYSA-N 0 0 432.490 4.010 50 0 IIAARN CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007359941 569139620 /nfs/dbraw/zinc/13/96/20/569139620.db2.gz QFUCMNYVYKHGGJ-UHFFFAOYSA-N 0 0 428.964 4.148 50 0 IIAARN O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000240104291 569140687 /nfs/dbraw/zinc/14/06/87/569140687.db2.gz UOQMURHFKVEOAF-MRXNPFEDSA-N 0 0 433.498 4.043 50 0 IIAARN COC(=O)[C@H]1CN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@@H]1c1ccc(F)cc1F ZINC000170595301 569141576 /nfs/dbraw/zinc/14/15/76/569141576.db2.gz VGYHVCKNTXIVBX-MOPGFXCFSA-N 0 0 442.487 4.046 50 0 IIAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC2CCN(CC(F)F)CC2)cc1 ZINC000170601843 569143155 /nfs/dbraw/zinc/14/31/55/569143155.db2.gz FSTCUJCQCAELJI-UHFFFAOYSA-N 0 0 442.485 4.446 50 0 IIAARN COC(=O)C[C@@](C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(OC)c1 ZINC000170602496 569143254 /nfs/dbraw/zinc/14/32/54/569143254.db2.gz WMCKQFWJSKNKDD-HSZRJFAPSA-N 0 0 442.899 4.141 50 0 IIAARN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCc2csc(C(C)C)n2)C1(C)C ZINC000170602218 569143415 /nfs/dbraw/zinc/14/34/15/569143415.db2.gz QXGQKIUQUDPVSY-KSFYIVLOSA-N 0 0 439.622 4.024 50 0 IIAARN COC(=O)C[C@@](C)(NC(=O)Nc1ccccc1N(C)Cc1ccccc1)c1ccncc1 ZINC000170609708 569144766 /nfs/dbraw/zinc/14/47/66/569144766.db2.gz VYAJXNROLIESJX-RUZDIDTESA-N 0 0 432.524 4.318 50 0 IIAARN Cc1ccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCC(C)C)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037280947 569146047 /nfs/dbraw/zinc/14/60/47/569146047.db2.gz NBDOCTWLJVFFRU-UQBPGWFLSA-N 0 0 434.580 4.419 50 0 IIAARN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000170614960 569146492 /nfs/dbraw/zinc/14/64/92/569146492.db2.gz MRIIVWCRATZRMC-HYBUGGRVSA-N 0 0 426.513 4.233 50 0 IIAARN C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000170617763 569146901 /nfs/dbraw/zinc/14/69/01/569146901.db2.gz DAWFHWVIHNYNTK-KRWDZBQOSA-N 0 0 448.485 4.075 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccsc3)C2)cc1 ZINC000170618375 569147004 /nfs/dbraw/zinc/14/70/04/569147004.db2.gz VFGJOSMWTHNRCV-HXUWFJFHSA-N 0 0 443.525 4.250 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccsc3)C2)cc1 ZINC000170618392 569147019 /nfs/dbraw/zinc/14/70/19/569147019.db2.gz MYMCKNLCMRJSKR-HXUWFJFHSA-N 0 0 443.525 4.250 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N(C)[C@H]3CCCc4nc(C)sc43)c(=O)oc2c1 ZINC000170624876 569148162 /nfs/dbraw/zinc/14/81/62/569148162.db2.gz HVGPHXOIAZGSNS-IBGZPJMESA-N 0 0 426.538 4.344 50 0 IIAARN COCCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2cc(Cl)ccc21 ZINC000170625024 569148257 /nfs/dbraw/zinc/14/82/57/569148257.db2.gz HYKBUEDOCOMOLP-UHFFFAOYSA-N 0 0 428.916 4.157 50 0 IIAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626252 569148667 /nfs/dbraw/zinc/14/86/67/569148667.db2.gz HAHBQPFLLAUZGY-LJQANCHMSA-N 0 0 428.330 4.387 50 0 IIAARN Cc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cnn1Cc1ccccc1 ZINC000170626996 569148769 /nfs/dbraw/zinc/14/87/69/569148769.db2.gz HCCDLEWFOHGGFR-UHFFFAOYSA-N 0 0 441.453 4.392 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nnc(-c4ccco4)n3N)ccc21 ZINC000009884177 569150320 /nfs/dbraw/zinc/15/03/20/569150320.db2.gz MLHAZNFEPPFHFE-AWEZNQCLSA-N 0 0 446.536 4.499 50 0 IIAARN Cc1csc(=O)n1CC(=O)Nc1sc2c(c1C(=O)c1cccc(F)c1)CCCC2 ZINC000010024157 569151349 /nfs/dbraw/zinc/15/13/49/569151349.db2.gz PQVCFCQCHSICOG-UHFFFAOYSA-N 0 0 430.526 4.167 50 0 IIAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000010027457 569151787 /nfs/dbraw/zinc/15/17/87/569151787.db2.gz XFOIUVYPWXGFKV-XMMPIXPASA-N 0 0 441.506 4.345 50 0 IIAARN Cc1ccsc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1cccs1 ZINC000010059060 569152096 /nfs/dbraw/zinc/15/20/96/569152096.db2.gz WJGZEXQDNBXFFS-QGZVFWFLSA-N 0 0 445.591 4.481 50 0 IIAARN COc1cc(C(=O)N2CCC(Nc3ccc(Br)cc3)CC2)cc(OC)c1OC ZINC000010060505 569152616 /nfs/dbraw/zinc/15/26/16/569152616.db2.gz RNIKXJIXCAPMAE-UHFFFAOYSA-N 0 0 449.345 4.192 50 0 IIAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000010220666 569152920 /nfs/dbraw/zinc/15/29/20/569152920.db2.gz DJNRPTITJZCCJI-UHFFFAOYSA-N 0 0 445.497 4.101 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccc(Br)cc1 ZINC000008792838 569154768 /nfs/dbraw/zinc/15/47/68/569154768.db2.gz CKVACRPIPBWAJX-UHFFFAOYSA-N 0 0 449.355 4.284 50 0 IIAARN O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000013301520 569154931 /nfs/dbraw/zinc/15/49/31/569154931.db2.gz PWFHNXZPQJVONB-HSZRJFAPSA-N 0 0 426.516 4.496 50 0 IIAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(C)cc1 ZINC000013513845 569155549 /nfs/dbraw/zinc/15/55/49/569155549.db2.gz WOZYDDOCRRZBQK-OEAKJJBVSA-N 0 0 428.513 4.353 50 0 IIAARN CCOc1cc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc(OCC)c1OCC ZINC000013714270 569156826 /nfs/dbraw/zinc/15/68/26/569156826.db2.gz YRYWSFOFEFKJOR-UHFFFAOYSA-N 0 0 440.540 4.300 50 0 IIAARN CCn1c(Sc2ccc3nnc(C(F)(F)F)n3n2)nnc1-c1ccc(Cl)cc1 ZINC000014283145 569158547 /nfs/dbraw/zinc/15/85/47/569158547.db2.gz CSZKXBBOSZDTQC-UHFFFAOYSA-N 0 0 425.827 4.226 50 0 IIAARN COc1ccc(C(=O)C2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000014326579 569158699 /nfs/dbraw/zinc/15/86/99/569158699.db2.gz JFBZCVKRNYOJPR-LJQANCHMSA-N 0 0 434.580 4.346 50 0 IIAARN O=C(Oc1ccccc1Br)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014393455 569158951 /nfs/dbraw/zinc/15/89/51/569158951.db2.gz BCJUYFPRVOWLBK-UHFFFAOYSA-N 0 0 435.277 4.427 50 0 IIAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(Cl)nc2)c1C(=O)N1CCOCC1 ZINC000014389801 569159013 /nfs/dbraw/zinc/15/90/13/569159013.db2.gz JNFCXMGHTIDEIE-UHFFFAOYSA-N 0 0 441.940 4.497 50 0 IIAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000014428032 569159081 /nfs/dbraw/zinc/15/90/81/569159081.db2.gz AKKGFYPEUUGFPT-CALCHBBNSA-N 0 0 444.597 4.485 50 0 IIAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)s2)c1 ZINC000089672877 569161087 /nfs/dbraw/zinc/16/10/87/569161087.db2.gz GHGISINTQHUPPR-CYBMUJFWSA-N 0 0 428.539 4.288 50 0 IIAARN Cn1cnnc1-c1cncc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000089761957 569162385 /nfs/dbraw/zinc/16/23/85/569162385.db2.gz QLADAXRBNVWWRX-UHFFFAOYSA-N 0 0 425.471 4.481 50 0 IIAARN CCOc1ccc(-c2cn3c(CC(=O)NCCc4ccccc4OC)csc3n2)cc1 ZINC000016838865 569162906 /nfs/dbraw/zinc/16/29/06/569162906.db2.gz OXKWBNBIDUNERJ-UHFFFAOYSA-N 0 0 435.549 4.372 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1snc2ccc(Cl)cc21 ZINC000089780766 569162922 /nfs/dbraw/zinc/16/29/22/569162922.db2.gz ANZAMESFWYOWAF-UHFFFAOYSA-N 0 0 447.925 4.274 50 0 IIAARN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000089783139 569163040 /nfs/dbraw/zinc/16/30/40/569163040.db2.gz NYSMGLFPDGEBBM-UHFFFAOYSA-N 0 0 426.900 4.070 50 0 IIAARN O=C(OCc1ccc(F)cc1Cl)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000016843905 569163706 /nfs/dbraw/zinc/16/37/06/569163706.db2.gz MHBOSVYTNBOLHC-FQEVSTJZSA-N 0 0 446.887 4.239 50 0 IIAARN COc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1OC ZINC000016845974 569163968 /nfs/dbraw/zinc/16/39/68/569163968.db2.gz IFVHBWHNZDAADR-UHFFFAOYSA-N 0 0 432.480 4.149 50 0 IIAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(c2ccccc2F)CC1 ZINC000016848682 569164441 /nfs/dbraw/zinc/16/44/41/569164441.db2.gz KVSXKJZEKPFNQI-UHFFFAOYSA-N 0 0 434.540 4.483 50 0 IIAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830399 569165643 /nfs/dbraw/zinc/16/56/43/569165643.db2.gz YSABYPFNBDVCKC-SANMLTNESA-N 0 0 435.527 4.279 50 0 IIAARN O=C(NCCOc1ccccc1)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000089845793 569165764 /nfs/dbraw/zinc/16/57/64/569165764.db2.gz ZKWPQSZVAQADIV-UHFFFAOYSA-N 0 0 432.307 4.404 50 0 IIAARN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000089851227 569166207 /nfs/dbraw/zinc/16/62/07/569166207.db2.gz CZJVUMASLVPZOC-JOCHJYFZSA-N 0 0 428.536 4.060 50 0 IIAARN O=C(c1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000089851206 569166265 /nfs/dbraw/zinc/16/62/65/569166265.db2.gz OIZQSHDUZJDBIH-UHFFFAOYSA-N 0 0 440.952 4.154 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1N)c1ccc2ccccc2c1 ZINC000089905133 569167209 /nfs/dbraw/zinc/16/72/09/569167209.db2.gz GZHFNZDLROHSNA-CQSZACIVSA-N 0 0 437.956 4.435 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)C4CCCCC4)ccc32)cc1 ZINC000016954411 569167331 /nfs/dbraw/zinc/16/73/31/569167331.db2.gz KMDFMALBDPFEGI-UHFFFAOYSA-N 0 0 428.554 4.356 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 ZINC000016953645 569167356 /nfs/dbraw/zinc/16/73/56/569167356.db2.gz KWYPCDAPJNAMQP-UHFFFAOYSA-N 0 0 442.562 4.079 50 0 IIAARN CCCc1ccc([C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1 ZINC000089960454 569168910 /nfs/dbraw/zinc/16/89/10/569168910.db2.gz GRZITYBQZWAXEH-BWKNWUBXSA-N 0 0 447.560 4.275 50 0 IIAARN CCCOc1ccc(CCC(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000207983124 569170072 /nfs/dbraw/zinc/17/00/72/569170072.db2.gz MIWYBCDASBIUHL-JOCHJYFZSA-N 0 0 433.545 4.012 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C ZINC000017011355 569170307 /nfs/dbraw/zinc/17/03/07/569170307.db2.gz REPKFZRZPNICOY-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000017041506 569171528 /nfs/dbraw/zinc/17/15/28/569171528.db2.gz FTYJOGJUUNSNNL-UHFFFAOYSA-N 0 0 449.498 4.311 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)cc1 ZINC000017042130 569171646 /nfs/dbraw/zinc/17/16/46/569171646.db2.gz QWMBJADIOUNHNX-UHFFFAOYSA-N 0 0 437.590 4.173 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@H]2C)cc1 ZINC000037356106 569171662 /nfs/dbraw/zinc/17/16/62/569171662.db2.gz NGXARMKEWVMUFH-MRXNPFEDSA-N 0 0 438.478 4.460 50 0 IIAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)/C=C/c3ccccc3)[C@H](C)C2)ncn1 ZINC000037356325 569172061 /nfs/dbraw/zinc/17/20/61/569172061.db2.gz OJRWHYVEGODZTF-UFUQCMIWSA-N 0 0 432.499 4.467 50 0 IIAARN COc1ccc(-c2nc(NC3CC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC ZINC000037357832 569175235 /nfs/dbraw/zinc/17/52/35/569175235.db2.gz SPDSRIRPVPGLLL-UHFFFAOYSA-N 0 0 436.903 4.310 50 0 IIAARN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000017170148 569175418 /nfs/dbraw/zinc/17/54/18/569175418.db2.gz XDKXCWSNVXFGLF-UHFFFAOYSA-N 0 0 446.525 4.046 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)NC1CCCC1 ZINC000017200924 569176008 /nfs/dbraw/zinc/17/60/08/569176008.db2.gz UVRNAWKQVGWMRO-UHFFFAOYSA-N 0 0 430.957 4.327 50 0 IIAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)OCc4ccc(C)cc4)cc3C2=O)cc1 ZINC000000937839 569176440 /nfs/dbraw/zinc/17/64/40/569176440.db2.gz YSALLXPUGKFPTA-UHFFFAOYSA-N 0 0 429.472 4.199 50 0 IIAARN CCCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002101794 569177092 /nfs/dbraw/zinc/17/70/92/569177092.db2.gz LKTAAXAVMICVEO-KNXBSLHKSA-N 0 0 430.526 4.167 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1cccnc1)nc2-c1ccccc1F ZINC000037359393 569177277 /nfs/dbraw/zinc/17/72/77/569177277.db2.gz NMLUFPBCKGXCSS-UHFFFAOYSA-N 0 0 429.434 4.350 50 0 IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1ccccn1)nc2-c1ccccc1F ZINC000037359451 569177283 /nfs/dbraw/zinc/17/72/83/569177283.db2.gz BXFIHABFOVDXPO-UHFFFAOYSA-N 0 0 429.434 4.350 50 0 IIAARN CC(C)[C@@H](C(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1)N1Cc2ccccc2C1=O ZINC000575443001 569177369 /nfs/dbraw/zinc/17/73/69/569177369.db2.gz AXRKNURQMYHWKN-RPWUZVMVSA-N 0 0 438.531 4.449 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCOCC1)nc2-c1cccc(Cl)c1 ZINC000037359612 569177696 /nfs/dbraw/zinc/17/76/96/569177696.db2.gz PWNMNJXCPZFWPA-UHFFFAOYSA-N 0 0 441.322 4.208 50 0 IIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2)C1=O ZINC000002096226 569179248 /nfs/dbraw/zinc/17/92/48/569179248.db2.gz LAGBVNHLYDGDLZ-OZXSUGGESA-N 0 0 445.563 4.442 50 0 biogenic IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000001833661 569180561 /nfs/dbraw/zinc/18/05/61/569180561.db2.gz QGEXZSPJZYTYES-UHFFFAOYSA-N 0 0 431.564 4.348 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cnccn1 ZINC000002356323 569180785 /nfs/dbraw/zinc/18/07/85/569180785.db2.gz GLUAXBGQPUZKIJ-UHFFFAOYSA-N 0 0 442.854 4.158 50 0 IIAARN CCc1cc2c(cc1OC(=O)CNC(=O)OC(C)(C)C)occ(-c1nc(C)cs1)c2=O ZINC000002106598 569181230 /nfs/dbraw/zinc/18/12/30/569181230.db2.gz GZRVCQBKVYEENP-UHFFFAOYSA-N 0 0 444.509 4.217 50 0 biogenic IIAARN COc1ccc(NC(=O)/C(NC(=O)c2ccccc2)=C(/C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002126947 569184046 /nfs/dbraw/zinc/18/40/46/569184046.db2.gz LLEJYFQCLQJHIN-CJLVFECKSA-N 0 0 431.448 4.403 50 0 IIAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000252489230 569186723 /nfs/dbraw/zinc/18/67/23/569186723.db2.gz JLRHOCSTKFAZIP-GFCCVEGCSA-N 0 0 431.418 4.069 50 0 IIAARN O=C1CN(C2CCCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002156850 569187537 /nfs/dbraw/zinc/18/75/37/569187537.db2.gz JIGWRQCINBYVKD-ZJSXRUAMSA-N 0 0 433.939 4.449 50 0 biogenic IIAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000252493620 569187871 /nfs/dbraw/zinc/18/78/71/569187871.db2.gz NEPABHQOYIEGJA-GHTZIAJQSA-N 0 0 449.482 4.237 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C ZINC000252509728 569188589 /nfs/dbraw/zinc/18/85/89/569188589.db2.gz YUELZZWCFGAVCW-HXUWFJFHSA-N 0 0 437.935 4.373 50 0 IIAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252512398 569188820 /nfs/dbraw/zinc/18/88/20/569188820.db2.gz QEJZIMLDMUTPKZ-JQHSSLGASA-N 0 0 439.903 4.061 50 0 IIAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000252539460 569190197 /nfs/dbraw/zinc/19/01/97/569190197.db2.gz OAXUOIMKQBWYFI-XMMPIXPASA-N 0 0 441.531 4.040 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(N)cc1 ZINC000002205861 569193397 /nfs/dbraw/zinc/19/33/97/569193397.db2.gz IGYBAMFGVIZPSL-UHFFFAOYSA-N 0 0 432.347 4.041 50 0 IIAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000037399210 569194290 /nfs/dbraw/zinc/19/42/90/569194290.db2.gz NYYOQLCZBMHQSM-UHFFFAOYSA-N 0 0 444.579 4.248 50 0 IIAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000037399360 569194410 /nfs/dbraw/zinc/19/44/10/569194410.db2.gz ZDGJLQVOHDSSMM-UHFFFAOYSA-N 0 0 447.558 4.422 50 0 IIAARN Cc1cn2c(CN3CCN(C(=O)NC(C)(C)C)CC3)c(-c3ccc(F)cc3)nc2s1 ZINC000037399989 569194827 /nfs/dbraw/zinc/19/48/27/569194827.db2.gz XUTNJRVBLQUGIQ-UHFFFAOYSA-N 0 0 429.565 4.136 50 0 IIAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)c1ccco1 ZINC000037400907 569195038 /nfs/dbraw/zinc/19/50/38/569195038.db2.gz XYFCNJYBTYQBRL-KRWDZBQOSA-N 0 0 443.521 4.497 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)CC(C)C)cc1 ZINC000037401413 569195153 /nfs/dbraw/zinc/19/51/53/569195153.db2.gz QKPOLZDLABCLMP-UHFFFAOYSA-N 0 0 433.570 4.494 50 0 IIAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000037424137 569195603 /nfs/dbraw/zinc/19/56/03/569195603.db2.gz RYMVLVIMAVYFSM-UHFFFAOYSA-N 0 0 428.913 4.187 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1F)C(=O)NC(C)(C)C ZINC000037425866 569195629 /nfs/dbraw/zinc/19/56/29/569195629.db2.gz JINSUVYABODURS-JOCHJYFZSA-N 0 0 446.542 4.164 50 0 IIAARN CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000037426274 569195762 /nfs/dbraw/zinc/19/57/62/569195762.db2.gz XTAYOOMGXMKEFT-LJQANCHMSA-N 0 0 440.544 4.139 50 0 IIAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000037442087 569196896 /nfs/dbraw/zinc/19/68/96/569196896.db2.gz JZBWQHWJOCEYEW-SFHVURJKSA-N 0 0 431.920 4.082 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(F)c3)C(=O)NC(C)(C)C)C2)cc1OC ZINC000037442092 569196957 /nfs/dbraw/zinc/19/69/57/569196957.db2.gz QDDHOISYEQSXJC-IBGZPJMESA-N 0 0 443.519 4.346 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccnc1 ZINC000037443039 569197053 /nfs/dbraw/zinc/19/70/53/569197053.db2.gz RYDUOCMMEBGZFX-OSWMTFESSA-N 0 0 436.581 4.207 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000037443958 569197105 /nfs/dbraw/zinc/19/71/05/569197105.db2.gz QSTAOBHEAQDDCS-FHLBMDLUSA-N 0 0 448.542 4.285 50 0 IIAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524617 569198854 /nfs/dbraw/zinc/19/88/54/569198854.db2.gz BLAFZPXKKYYBJG-INIZCTEOSA-N 0 0 429.511 4.140 50 0 IIAARN CC(C)NC(=O)COc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037603376 569202615 /nfs/dbraw/zinc/20/26/15/569202615.db2.gz AVUHIZLOYGIEAC-HSZRJFAPSA-N 0 0 426.532 4.249 50 0 IIAARN COc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002214718 569202800 /nfs/dbraw/zinc/20/28/00/569202800.db2.gz QPLCRGNSIUXFOP-UHFFFAOYSA-N 0 0 439.475 4.425 50 0 IIAARN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)c3ccccc3Cl)CCO2)cc1 ZINC000037611204 569203065 /nfs/dbraw/zinc/20/30/65/569203065.db2.gz GDGMCGLLOHCTKI-FQEVSTJZSA-N 0 0 428.960 4.288 50 0 IIAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CCC(=O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000077301611 569204186 /nfs/dbraw/zinc/20/41/86/569204186.db2.gz DKYCMQSMHPIBBZ-VIZYZFHWSA-N 0 0 430.585 4.395 50 0 in-vitro IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CS(=O)(=O)C3)c(C)c1 ZINC000003009666 569213100 /nfs/dbraw/zinc/21/31/00/569213100.db2.gz CUKAOGTVBWFVTC-UHFFFAOYSA-N 0 0 449.454 4.189 50 0 IIAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000002250486 569213816 /nfs/dbraw/zinc/21/38/16/569213816.db2.gz LNVMLYFVPHQNEA-UHFFFAOYSA-N 0 0 431.536 4.244 50 0 IIAARN Cc1cccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002245719 569214407 /nfs/dbraw/zinc/21/44/07/569214407.db2.gz UMFIJJHHKFWSAV-UHFFFAOYSA-N 0 0 432.480 4.436 50 0 IIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002265416 569216187 /nfs/dbraw/zinc/21/61/87/569216187.db2.gz SOPPHIAJRLCKPQ-HZPDHXFCSA-N 0 0 442.002 4.002 50 0 IIAARN CC(C)CCOC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002255115 569216739 /nfs/dbraw/zinc/21/67/39/569216739.db2.gz PRGPKYIRGIDSTJ-UHFFFAOYSA-N 0 0 432.480 4.147 50 0 IIAARN COC(=O)c1ccc(N[C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1 ZINC000002255743 569216803 /nfs/dbraw/zinc/21/68/03/569216803.db2.gz FHKMTTHLKIMGCG-XMMPIXPASA-N 0 0 427.504 4.473 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000002277386 569217907 /nfs/dbraw/zinc/21/79/07/569217907.db2.gz WGEZRCVVMIOQMU-LFVJCYFKSA-N 0 0 427.479 4.437 50 0 IIAARN CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000027520629 569218126 /nfs/dbraw/zinc/21/81/26/569218126.db2.gz LYKTVRGFVSUHIC-OJKWPBSESA-N 0 0 437.495 4.357 50 0 IIAARN COc1cccc([C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522929 569262737 /nfs/dbraw/zinc/26/27/37/569262737.db2.gz VESKUDXFZRDARF-DHIUTWEWSA-N 0 0 426.472 4.065 50 0 IIAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](c3nc4ccccc4[nH]3)c3ccccc3)ccc12 ZINC000253400592 569264813 /nfs/dbraw/zinc/26/48/13/569264813.db2.gz FAEFDQMVUUWGMA-VWLOTQADSA-N 0 0 439.471 4.262 50 0 biogenic IIAARN COc1cc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000253409701 569265557 /nfs/dbraw/zinc/26/55/57/569265557.db2.gz MGMIHLULHLXKPY-QFIPXVFZSA-N 0 0 431.492 4.137 50 0 biogenic IIAARN O=C1CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)c2ccccc21 ZINC000253429623 569267541 /nfs/dbraw/zinc/26/75/41/569267541.db2.gz UBLCBKRTCFHZTG-UHFFFAOYSA-N 0 0 431.311 4.169 50 0 IIAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4ccccc4F)OC3=O)cc2)cc1 ZINC000002292202 569268007 /nfs/dbraw/zinc/26/80/07/569268007.db2.gz RRNUUXPBAFMQEC-STZFKDTASA-N 0 0 437.448 4.246 50 0 IIAARN CCOC(=O)COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 ZINC000253433335 569269389 /nfs/dbraw/zinc/26/93/89/569269389.db2.gz VVQMYMCDKCWRTJ-FQEVSTJZSA-N 0 0 445.313 4.089 50 0 IIAARN COc1cc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2N)cc(OC)c1OC ZINC000002352072 569282807 /nfs/dbraw/zinc/28/28/07/569282807.db2.gz WCUGVGVQIOJVNM-UHFFFAOYSA-N 0 0 441.340 4.284 50 0 IIAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000253473873 569282902 /nfs/dbraw/zinc/28/29/02/569282902.db2.gz ZKHJTOAMKTZMJI-UHFFFAOYSA-N 0 0 436.455 4.486 50 0 IIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2N)cc1 ZINC000002371582 569288975 /nfs/dbraw/zinc/28/89/75/569288975.db2.gz CZPROVYAQLNEPE-UHFFFAOYSA-N 0 0 425.558 4.086 50 0 IIAARN COCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CCC1 ZINC000013350814 569289942 /nfs/dbraw/zinc/28/99/42/569289942.db2.gz BUZQWBBNUCWPAP-UHFFFAOYSA-N 0 0 445.357 4.276 50 0 IIAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002381883 569292739 /nfs/dbraw/zinc/29/27/39/569292739.db2.gz YQXPOXCMOGDZMX-UHFFFAOYSA-N 0 0 441.894 4.105 50 0 IIAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCCO2 ZINC000002388151 569295527 /nfs/dbraw/zinc/29/55/27/569295527.db2.gz DWYBBMSDJUWKTN-UHFFFAOYSA-N 0 0 444.491 4.417 50 0 IIAARN COc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc(OC)c1OC ZINC000027747300 569295823 /nfs/dbraw/zinc/29/58/23/569295823.db2.gz GCMCWQBRWZYGMP-UHFFFAOYSA-N 0 0 433.258 4.382 50 0 IIAARN CCCc1noc([C@H](C)Sc2nc3sc4c(c3c(=O)n2CCOC)CCCC4)n1 ZINC000027764653 569297560 /nfs/dbraw/zinc/29/75/60/569297560.db2.gz GDVRITXYJHZHCY-LBPRGKRZSA-N 0 0 434.587 4.172 50 0 IIAARN COc1cc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)ccc1OCCC(C)C ZINC000002394351 569298160 /nfs/dbraw/zinc/29/81/60/569298160.db2.gz SPJGIZKMVCQOGG-STZFKDTASA-N 0 0 435.549 4.108 50 0 IIAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1 ZINC000002394575 569298188 /nfs/dbraw/zinc/29/81/88/569298188.db2.gz FKBXPDBKBAQAPK-UNOMPAQXSA-N 0 0 435.892 4.288 50 0 IIAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 ZINC000002396384 569298441 /nfs/dbraw/zinc/29/84/41/569298441.db2.gz DUHFWMBTYOIAMB-CQSZACIVSA-N 0 0 434.496 4.376 50 0 IIAARN O=C(/C=C/c1cc(Br)ccc1F)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000010106846 569299315 /nfs/dbraw/zinc/29/93/15/569299315.db2.gz PRYGXRHFJSUVNX-RUDMXATFSA-N 0 0 428.265 4.229 50 0 IIAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1N ZINC000002403448 569299875 /nfs/dbraw/zinc/29/98/75/569299875.db2.gz WADIUDAEUYWFNC-UHFFFAOYSA-N 0 0 445.548 4.277 50 0 IIAARN Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000002409895 569300617 /nfs/dbraw/zinc/30/06/17/569300617.db2.gz IKCQLZKYOBKNST-MRXNPFEDSA-N 0 0 445.347 4.036 50 0 IIAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1nc(=O)c2ccccc2s1 ZINC000002420492 569302006 /nfs/dbraw/zinc/30/20/06/569302006.db2.gz UADNCMYGJQWFKB-UHFFFAOYSA-N 0 0 444.588 4.364 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011462698 569302341 /nfs/dbraw/zinc/30/23/41/569302341.db2.gz LAARCCDEDXTXQX-VAWYXSNFSA-N 0 0 442.441 4.433 50 0 IIAARN Cc1nc2sc3c(ncnc3N(CCO)Cc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002424185 569302356 /nfs/dbraw/zinc/30/23/56/569302356.db2.gz PSAIAKDKAWGBSQ-UHFFFAOYSA-N 0 0 434.565 4.398 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(Br)c1 ZINC000012942256 569305107 /nfs/dbraw/zinc/30/51/07/569305107.db2.gz ZWWQRZOPBOLLEF-UHFFFAOYSA-N 0 0 434.359 4.072 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cc1F ZINC000012984530 569305778 /nfs/dbraw/zinc/30/57/78/569305778.db2.gz BWBHHLBMGOPWCZ-UHFFFAOYSA-N 0 0 425.529 4.224 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000012987879 569305975 /nfs/dbraw/zinc/30/59/75/569305975.db2.gz SCEWTSQJWWRGBG-UHFFFAOYSA-N 0 0 445.766 4.385 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000013001278 569306231 /nfs/dbraw/zinc/30/62/31/569306231.db2.gz JIWQAKCITKAQAS-FPTDNZKUSA-N 0 0 448.350 4.255 50 0 IIAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1ccc(Cl)cn1 ZINC000013016733 569307172 /nfs/dbraw/zinc/30/71/72/569307172.db2.gz AKRDSCCOWWVSGM-AGUYFDCRSA-N 0 0 426.991 4.219 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013072223 569309025 /nfs/dbraw/zinc/30/90/25/569309025.db2.gz WDIGEYPRSFVZGF-INIZCTEOSA-N 0 0 436.961 4.311 50 0 IIAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)c1ccccc1 ZINC000013097847 569309794 /nfs/dbraw/zinc/30/97/94/569309794.db2.gz BMBCWKQWAWQBKH-INIZCTEOSA-N 0 0 449.956 4.333 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000013112395 569310424 /nfs/dbraw/zinc/31/04/24/569310424.db2.gz TVFVNKKBMKAJKM-UHFFFAOYSA-N 0 0 442.606 4.192 50 0 IIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000013115176 569310803 /nfs/dbraw/zinc/31/08/03/569310803.db2.gz YWNQAXRGCDVFFO-UHFFFAOYSA-N 0 0 441.487 4.266 50 0 IIAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(CC(C)C)cc3)C2)cc1 ZINC000013356531 569313674 /nfs/dbraw/zinc/31/36/74/569313674.db2.gz NLIHCWHQAAPNQK-RUZDIDTESA-N 0 0 442.625 4.301 50 0 IIAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F ZINC000013359803 569313832 /nfs/dbraw/zinc/31/38/32/569313832.db2.gz GGBXNGQRUWBBOE-UHFFFAOYSA-N 0 0 429.448 4.360 50 0 IIAARN COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359815 569313844 /nfs/dbraw/zinc/31/38/44/569313844.db2.gz NKFDVLWQENATHI-UHFFFAOYSA-N 0 0 437.521 4.399 50 0 IIAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F ZINC000013359818 569313859 /nfs/dbraw/zinc/31/38/59/569313859.db2.gz LDGRUMOFQZTIEJ-UHFFFAOYSA-N 0 0 429.448 4.360 50 0 IIAARN COc1ccc(CNC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000013366295 569314384 /nfs/dbraw/zinc/31/43/84/569314384.db2.gz SFHKHCGENTYSGV-DEOSSOPVSA-N 0 0 446.572 4.269 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(OCc2cc(=O)n3nc(C)sc3n2)cc1)c1ccccc1 ZINC000013367952 569314465 /nfs/dbraw/zinc/31/44/65/569314465.db2.gz LUFWOWNTISSJGJ-FQEVSTJZSA-N 0 0 434.521 4.171 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000013368229 569314571 /nfs/dbraw/zinc/31/45/71/569314571.db2.gz ZZTSAUQSZDCVNN-UHFFFAOYSA-N 0 0 448.548 4.489 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1=O ZINC000078743261 569318899 /nfs/dbraw/zinc/31/88/99/569318899.db2.gz JHSWPKYTLCXQEV-JTQLQIEISA-N 0 0 430.785 4.498 50 0 IIAARN Cc1ccc(N(C(=O)CN(C)c2ccc3ccccc3c2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000078876258 569319727 /nfs/dbraw/zinc/31/97/27/569319727.db2.gz OGPYQBVYLHZRCG-XMMPIXPASA-N 0 0 434.561 4.237 50 0 IIAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3CO)[C@@H]2c2cccs2)cc1 ZINC000078939211 569320325 /nfs/dbraw/zinc/32/03/25/569320325.db2.gz NTYQIPALEXYPPD-XUZZJYLKSA-N 0 0 434.561 4.350 50 0 IIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@H]3CN(C)C(=O)OC(C)(C)C)c12 ZINC000078934965 569320358 /nfs/dbraw/zinc/32/03/58/569320358.db2.gz CSGHDBXXBZEMMV-HNNXBMFYSA-N 0 0 440.500 4.263 50 0 IIAARN Cc1nnnn1-c1cc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)ccc1F ZINC000079021168 569322428 /nfs/dbraw/zinc/32/24/28/569322428.db2.gz GLNGNWBRHBTCHH-LJQANCHMSA-N 0 0 446.490 4.177 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000019679860 569326322 /nfs/dbraw/zinc/32/63/22/569326322.db2.gz HFKYQMVJMMHEKH-UHFFFAOYSA-N 0 0 432.851 4.323 50 0 IIAARN O=C(Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccc(Br)cc1 ZINC000019796410 569329365 /nfs/dbraw/zinc/32/93/65/569329365.db2.gz GUMCXPJENLEUQD-UHFFFAOYSA-N 0 0 430.283 4.156 50 0 IIAARN Cc1csc(-c2cccc(CNC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)c2)n1 ZINC000079489436 569331244 /nfs/dbraw/zinc/33/12/44/569331244.db2.gz BCRBWIHPMGKQPL-KRWDZBQOSA-N 0 0 427.961 4.095 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCOCC1 ZINC000020113477 569334503 /nfs/dbraw/zinc/33/45/03/569334503.db2.gz SOVVOZGIBCKCDI-SOPGZXPBSA-N 0 0 431.617 4.232 50 0 biogenic IIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390830431 569354174 /nfs/dbraw/zinc/35/41/74/569354174.db2.gz LCALXRRPUIBRON-UHFFFAOYSA-N 0 0 426.460 4.317 50 0 IIAARN CC(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncc(N[C@@H](C)c4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000020177641 569354549 /nfs/dbraw/zinc/35/45/49/569354549.db2.gz ZCTCMVHXYXOZJY-YJZCBDCGSA-N 0 0 440.975 4.254 50 0 IIAARN COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 ZINC000020180595 569355122 /nfs/dbraw/zinc/35/51/22/569355122.db2.gz JREHMNRAGZSXGZ-OEAKJJBVSA-N 0 0 448.906 4.432 50 0 IIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C2=O)c1 ZINC000020180826 569355140 /nfs/dbraw/zinc/35/51/40/569355140.db2.gz AXPBEFOTDBKJAC-OEAKJJBVSA-N 0 0 448.906 4.432 50 0 IIAARN CC(C)OCCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181181 569355329 /nfs/dbraw/zinc/35/53/29/569355329.db2.gz RBKADNWNXOOQAB-STZFKDTASA-N 0 0 428.529 4.237 50 0 IIAARN COc1ccc(-c2nn(CCC(=O)NCc3ccccc3)c3nc(C)cc(C)c23)c(OC)c1 ZINC000020213735 569356465 /nfs/dbraw/zinc/35/64/65/569356465.db2.gz KISPXLDPOPMJFX-UHFFFAOYSA-N 0 0 444.535 4.439 50 0 IIAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccccc1 ZINC000020228612 569356963 /nfs/dbraw/zinc/35/69/63/569356963.db2.gz VYMPCFUNWQUFHS-XMHGGMMESA-N 0 0 431.535 4.499 50 0 IIAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000020242387 569358205 /nfs/dbraw/zinc/35/82/05/569358205.db2.gz QZUHLHDPMKCFNO-WJOKGBTCSA-N 0 0 434.492 4.045 50 0 IIAARN CCOC(=O)C1=C(CN(Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358872 /nfs/dbraw/zinc/35/88/72/569358872.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 0 0 437.540 4.286 50 0 IIAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(Cc1ccc(OC)cc1)C2 ZINC000020319976 569360121 /nfs/dbraw/zinc/36/01/21/569360121.db2.gz IRHUMRGLTCHQDX-UHFFFAOYSA-N 0 0 426.904 4.232 50 0 IIAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000020377698 569362201 /nfs/dbraw/zinc/36/22/01/569362201.db2.gz GAUMKNAKBGFIHY-QFIPXVFZSA-N 0 0 445.544 4.072 50 0 IIAARN Cc1cc2sc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nc2c(C)c1 ZINC000020383659 569362728 /nfs/dbraw/zinc/36/27/28/569362728.db2.gz AJHMDAUJOVNGLR-UHFFFAOYSA-N 0 0 448.636 4.474 50 0 IIAARN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000095403462 569364171 /nfs/dbraw/zinc/36/41/71/569364171.db2.gz HBSDUEMZCIEZCP-DEOSSOPVSA-N 0 0 434.515 4.038 50 0 IIAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)N2CCCCC2)c2ccccc21 ZINC000020439120 569365722 /nfs/dbraw/zinc/36/57/22/569365722.db2.gz CEZPDOGQZBDNQI-QJOMJCCJSA-N 0 0 431.536 4.453 50 0 IIAARN CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCc2ccco2)c2ccccc21 ZINC000020439017 569365752 /nfs/dbraw/zinc/36/57/52/569365752.db2.gz LAAVTVLYXZFHKU-JCMHNJIXSA-N 0 0 443.503 4.350 50 0 IIAARN CC[C@@H]1CN(C(=O)[C@H](OCC(F)(F)F)c2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000095441485 569366758 /nfs/dbraw/zinc/36/67/58/569366758.db2.gz IOTNOJXHTWTMRM-BPQIPLTHSA-N 0 0 444.494 4.458 50 0 IIAARN Cn1nccc1CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000095452312 569367866 /nfs/dbraw/zinc/36/78/66/569367866.db2.gz WYIRVUWPYZLOSA-UHFFFAOYSA-N 0 0 430.331 4.375 50 0 IIAARN COc1cccc([C@H](O)CNC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465224 569370640 /nfs/dbraw/zinc/37/06/40/569370640.db2.gz HZAGFLZZQOKFIY-WAOWUJCRSA-N 0 0 427.932 4.349 50 0 IIAARN COc1ccc(C2(CNC(=O)c3ccc(Nc4nc(C)cc(C)n4)cc3)CCOCC2)cc1 ZINC000095472644 569372144 /nfs/dbraw/zinc/37/21/44/569372144.db2.gz NOQOZYQDJCNGJD-UHFFFAOYSA-N 0 0 446.551 4.324 50 0 IIAARN Cc1nn(C)c(C)c1[C@@H]1SCC(=O)Nc2ncn(-c3cccc(Br)c3)c21 ZINC000095480254 569373912 /nfs/dbraw/zinc/37/39/12/569373912.db2.gz WBBAMATYAOLAON-KRWDZBQOSA-N 0 0 432.347 4.409 50 0 IIAARN COC(=O)C[C@@H](c1cccc2nccnc21)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095480395 569373951 /nfs/dbraw/zinc/37/39/51/569373951.db2.gz YESKGHPYBWLSRD-SFHVURJKSA-N 0 0 448.500 4.276 50 0 IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccccc2F)cc(=O)c1O ZINC000095480944 569374063 /nfs/dbraw/zinc/37/40/63/569374063.db2.gz VBVFISSNBBHXLP-MRXNPFEDSA-N 0 0 430.453 4.177 50 0 IIAARN CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482349 569374334 /nfs/dbraw/zinc/37/43/34/569374334.db2.gz BBSCVDGJZUOOFA-MRXNPFEDSA-N 0 0 430.302 4.281 50 0 IIAARN CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482348 569374349 /nfs/dbraw/zinc/37/43/49/569374349.db2.gz BBSCVDGJZUOOFA-INIZCTEOSA-N 0 0 430.302 4.281 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2ccc(C)cc2)S1 ZINC000020896038 569375088 /nfs/dbraw/zinc/37/50/88/569375088.db2.gz RLCRUNFILNMKNT-HXUWFJFHSA-N 0 0 447.944 4.107 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2cccc(C)c2)S1 ZINC000020896050 569375152 /nfs/dbraw/zinc/37/51/52/569375152.db2.gz RSOOKXBQDVHINO-HXUWFJFHSA-N 0 0 447.944 4.107 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2c(Br)cccc2Br)cc1C ZINC000095944132 569375666 /nfs/dbraw/zinc/37/56/66/569375666.db2.gz NUNHWOSQNAFJPB-UHFFFAOYSA-N 0 0 435.137 4.329 50 0 IIAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000095947443 569376437 /nfs/dbraw/zinc/37/64/37/569376437.db2.gz FWQNTUUZWCWWAX-LJQANCHMSA-N 0 0 444.004 4.005 50 0 IIAARN Cc1ccc(NC(=O)CNc2ccc3nc(C(C)C)sc3c2)cc1S(=O)(=O)N(C)C ZINC000095956011 569376810 /nfs/dbraw/zinc/37/68/10/569376810.db2.gz DZVNVHLSRRJGGK-UHFFFAOYSA-N 0 0 446.598 4.029 50 0 IIAARN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccn3)CC2)C(C)(C)O1 ZINC000095991730 569378378 /nfs/dbraw/zinc/37/83/78/569378378.db2.gz MEZFMQGOTQRIGA-HSZRJFAPSA-N 0 0 449.595 4.309 50 0 IIAARN O=C(c1cccnc1Oc1cccnc1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993296 569378389 /nfs/dbraw/zinc/37/83/89/569378389.db2.gz YHPWWEHHOWOVDZ-SFHVURJKSA-N 0 0 426.480 4.074 50 0 IIAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096992 569381259 /nfs/dbraw/zinc/38/12/59/569381259.db2.gz JROJCGBBCANOIC-UHFFFAOYSA-N 0 0 445.235 4.426 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096114319 569382784 /nfs/dbraw/zinc/38/27/84/569382784.db2.gz DIPKETFSIRQTSN-NZQKXSOJSA-N 0 0 427.412 4.053 50 0 biogenic IIAARN COc1ccc(C(=O)CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000096115341 569383277 /nfs/dbraw/zinc/38/32/77/569383277.db2.gz FFDHQTLUHAVGTD-UHFFFAOYSA-N 0 0 447.487 4.405 50 0 biogenic IIAARN COC(=O)c1nc(NC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)sc1C(C)C ZINC000096115770 569383398 /nfs/dbraw/zinc/38/33/98/569383398.db2.gz VZKMJEZKVPNRCJ-UHFFFAOYSA-N 0 0 444.509 4.048 50 0 biogenic IIAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000096116518 569383786 /nfs/dbraw/zinc/38/37/86/569383786.db2.gz JNOXWUNKQYIBIW-DEOSSOPVSA-N 0 0 433.508 4.432 50 0 biogenic IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116907 569383966 /nfs/dbraw/zinc/38/39/66/569383966.db2.gz LIPUFNZYIUXJQN-MGPLVRAMSA-N 0 0 425.913 4.286 50 0 IIAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)ccc1O ZINC000096117941 569384392 /nfs/dbraw/zinc/38/43/92/569384392.db2.gz GZPWWKRZPMFDJC-SFHVURJKSA-N 0 0 446.326 4.124 50 0 IIAARN COc1cccc2cc(C(=O)Nc3ccccc3Cc3nc(-c4ccco4)no3)c(=O)oc21 ZINC000096119692 569384791 /nfs/dbraw/zinc/38/47/91/569384791.db2.gz XZKFJTDFAVPPKP-UHFFFAOYSA-N 0 0 443.415 4.288 50 0 IIAARN O=C(c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1)c1ccccc1 ZINC000096119887 569384820 /nfs/dbraw/zinc/38/48/20/569384820.db2.gz FZICSIYYGRAOKK-UHFFFAOYSA-N 0 0 425.453 4.476 50 0 IIAARN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000096120099 569384922 /nfs/dbraw/zinc/38/49/22/569384922.db2.gz VWOHBPBCLDWYLO-OAQYLSRUSA-N 0 0 433.545 4.365 50 0 IIAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1 ZINC000096232055 569387692 /nfs/dbraw/zinc/38/76/92/569387692.db2.gz NJKUNRYRAPUWCH-INIZCTEOSA-N 0 0 436.386 4.005 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1cccs1 ZINC000096279503 569389473 /nfs/dbraw/zinc/38/94/73/569389473.db2.gz TUMOMUAJCSHKKI-QGZVFWFLSA-N 0 0 427.526 4.399 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@H]1c1cccc(F)c1 ZINC000096281158 569389792 /nfs/dbraw/zinc/38/97/92/569389792.db2.gz NMRSTFDTOKKFJS-ISKFKSNPSA-N 0 0 426.532 4.392 50 0 IIAARN O=c1c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)c(=O)n1C1CC1 ZINC000096281353 569389928 /nfs/dbraw/zinc/38/99/28/569389928.db2.gz GWVGKTUFLWGVEO-UHFFFAOYSA-N 0 0 445.281 4.178 50 0 IIAARN CC(C)c1nnc(SCc2ccccc2C(=O)N2CCOCC2)n1-c1ccc(F)cc1 ZINC000096288738 569390442 /nfs/dbraw/zinc/39/04/42/569390442.db2.gz UFBRHESADQZEIK-UHFFFAOYSA-N 0 0 440.544 4.295 50 0 IIAARN COCC(=O)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)CC(C)C ZINC000096289456 569390653 /nfs/dbraw/zinc/39/06/53/569390653.db2.gz KMRZFSASHHQTSW-UHFFFAOYSA-N 0 0 439.961 4.047 50 0 IIAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)C(C)C ZINC000096290332 569390798 /nfs/dbraw/zinc/39/07/98/569390798.db2.gz WLDZFTBARFMBJY-MRXNPFEDSA-N 0 0 437.533 4.385 50 0 IIAARN Cc1ccc(F)c([C@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096290554 569390935 /nfs/dbraw/zinc/39/09/35/569390935.db2.gz UIQCNNUTILFNTB-SFHVURJKSA-N 0 0 443.950 4.239 50 0 IIAARN CC(=O)N(Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)CC(C)C ZINC000096293907 569391637 /nfs/dbraw/zinc/39/16/37/569391637.db2.gz CVOSSOOUZMOTMI-UHFFFAOYSA-N 0 0 429.460 4.478 50 0 IIAARN COc1cc(-c2noc([C@@H](NC(=O)c3cccc(F)c3)C(C)C)n2)cc(OC)c1OC ZINC000096294019 569391786 /nfs/dbraw/zinc/39/17/86/569391786.db2.gz RNFGQABGUSGXRC-SFHVURJKSA-N 0 0 429.448 4.029 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316739 569392909 /nfs/dbraw/zinc/39/29/09/569392909.db2.gz GIUMRFXEQVXIQH-UHFFFAOYSA-N 0 0 434.506 4.262 50 0 IIAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1c(F)cccc1Cl ZINC000096317349 569393359 /nfs/dbraw/zinc/39/33/59/569393359.db2.gz WJXKTIZZMDZOEB-UHFFFAOYSA-N 0 0 442.966 4.494 50 0 IIAARN CC[C@@H](C)c1nc(COC)c(Cc2cccc(C)c2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317435 569393501 /nfs/dbraw/zinc/39/35/01/569393501.db2.gz SBRJLZBVSWNIAD-HXUWFJFHSA-N 0 0 438.616 4.340 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(C)c3C)c2=O)c1 ZINC000096318231 569393722 /nfs/dbraw/zinc/39/37/22/569393722.db2.gz OJECADMBSVWMEO-UHFFFAOYSA-N 0 0 427.504 4.025 50 0 IIAARN Cc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(Cc2cccc(Cl)c2)c3=O)n1 ZINC000096320210 569394050 /nfs/dbraw/zinc/39/40/50/569394050.db2.gz KJJCIKSPJQHCBZ-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4cccc(F)c4)no3)ccc2c(=O)n1Cc1cccc(Cl)c1 ZINC000096320211 569394063 /nfs/dbraw/zinc/39/40/63/569394063.db2.gz FMFOLZZIDMBAAE-UHFFFAOYSA-N 0 0 448.841 4.248 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(Cc4ccc(Cl)cc4)n3)cc2)CC1 ZINC000096322040 569394272 /nfs/dbraw/zinc/39/42/72/569394272.db2.gz HQJRVLYWZDKZFJ-UHFFFAOYSA-N 0 0 431.945 4.401 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)N[C@H](C)CC)n4ccn3n2)cc1 ZINC000096322374 569394606 /nfs/dbraw/zinc/39/46/06/569394606.db2.gz DTTWQSJWGFFAKC-QGZVFWFLSA-N 0 0 434.544 4.070 50 0 IIAARN Cc1ccc(-c2noc(Cn3nc(-c4ccc(Br)cc4)ccc3=O)n2)cc1C ZINC000096322853 569394884 /nfs/dbraw/zinc/39/48/84/569394884.db2.gz 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COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000003491960 569452561 /nfs/dbraw/zinc/45/25/61/569452561.db2.gz ROSMZSBIHINNGG-UHFFFAOYSA-N 0 0 430.961 4.471 50 0 IIAARN COc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 ZINC000003500849 569452802 /nfs/dbraw/zinc/45/28/02/569452802.db2.gz JSDBCXQIDLCXNQ-UHFFFAOYSA-N 0 0 439.566 4.174 50 0 IIAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)OCC(=O)c1ccc2ccccc2c1 ZINC000003533816 569453467 /nfs/dbraw/zinc/45/34/67/569453467.db2.gz WEWFLZQSDLMYEO-UHFFFAOYSA-N 0 0 428.440 4.240 50 0 IIAARN C[C@@H]1CC(=Cc2ccc3c(c2)OCO3)C2=NC(=S)N[C@@H](c3ccc4c(c3)OCO4)C2C1 ZINC000058472725 569455095 /nfs/dbraw/zinc/45/50/95/569455095.db2.gz FTAJQUDFPIRMPD-RDPOUNIGSA-N 0 0 434.517 4.430 50 0 IIAARN C[C@H]1CC(=Cc2ccc3c(c2)OCO3)C2=NC(=S)N[C@H](c3ccc4c(c3)OCO4)C2C1 ZINC000058472736 569455103 /nfs/dbraw/zinc/45/51/03/569455103.db2.gz FTAJQUDFPIRMPD-SFWVIHCRSA-N 0 0 434.517 4.430 50 0 IIAARN O=C(NCc1ccccc1)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000003630165 569455230 /nfs/dbraw/zinc/45/52/30/569455230.db2.gz LUPNMIVPIWDYJS-UHFFFAOYSA-N 0 0 439.899 4.397 50 0 IIAARN COc1ccc([C@H]2Sc3nncn3N2Cc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000003635519 569455500 /nfs/dbraw/zinc/45/55/00/569455500.db2.gz LSDVWJAABVPMQC-HSZRJFAPSA-N 0 0 428.517 4.460 50 0 IIAARN CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657542 569455816 /nfs/dbraw/zinc/45/58/16/569455816.db2.gz VSRHOCJZRKDPLT-DHIUTWEWSA-N 0 0 426.532 4.401 50 0 IIAARN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OCc1ccccc1 ZINC000003679501 569456120 /nfs/dbraw/zinc/45/61/20/569456120.db2.gz KGMBSNJALLHNFO-XUZZJYLKSA-N 0 0 428.488 4.444 50 0 biogenic IIAARN COc1cccc(N2CCN(C(=O)c3c(C)onc3-c3c(F)cccc3Cl)CC2)c1 ZINC000031386715 569456203 /nfs/dbraw/zinc/45/62/03/569456203.db2.gz OOYZIAKERRWWBK-UHFFFAOYSA-N 0 0 429.879 4.414 50 0 IIAARN CCCCNC(=O)C1CCN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)CC1 ZINC000031523671 569456664 /nfs/dbraw/zinc/45/66/64/569456664.db2.gz UBIVUFVVIDRCJB-UHFFFAOYSA-N 0 0 440.569 4.337 50 0 IIAARN O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000031532718 569456675 /nfs/dbraw/zinc/45/66/75/569456675.db2.gz ZKGBDBXPXSEHAU-UHFFFAOYSA-N 0 0 425.488 4.282 50 0 IIAARN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000031535618 569456717 /nfs/dbraw/zinc/45/67/17/569456717.db2.gz XWXNYURHZUVOBK-CYBMUJFWSA-N 0 0 432.858 4.187 50 0 IIAARN CCOc1ccccc1N1CCN(Cn2nc(-c3cccs3)c3ccccc3c2=O)CC1 ZINC000031732439 569457127 /nfs/dbraw/zinc/45/71/27/569457127.db2.gz HYEJPFYNXZFDCX-UHFFFAOYSA-N 0 0 446.576 4.303 50 0 IIAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000031903579 569458309 /nfs/dbraw/zinc/45/83/09/569458309.db2.gz HCRAXNPOIXTPSR-OAQYLSRUSA-N 0 0 432.568 4.201 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=NNC(N)=S)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 ZINC000004064812 569458556 /nfs/dbraw/zinc/45/85/56/569458556.db2.gz SERMPXSEVYHFRL-XKSFEFGCSA-N 0 0 425.598 4.158 50 0 biogenic IIAARN CCN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)C1=O ZINC000032090305 569459564 /nfs/dbraw/zinc/45/95/64/569459564.db2.gz CGAPOAOQUXDASW-NRFANRHFSA-N 0 0 442.397 4.415 50 0 IIAARN CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)c2cc(F)ccc21 ZINC000032097169 569459940 /nfs/dbraw/zinc/45/99/40/569459940.db2.gz DTUDCKLGDDHIPW-HXUWFJFHSA-N 0 0 441.260 4.028 50 0 IIAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032097193 569459986 /nfs/dbraw/zinc/45/99/86/569459986.db2.gz MRIVEKVMRLQUOV-OAQYLSRUSA-N 0 0 448.350 4.297 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl)N1CCOCC1 ZINC000004146085 569460509 /nfs/dbraw/zinc/46/05/09/569460509.db2.gz HIPFVOMWZIEBRN-UHFFFAOYSA-N 0 0 449.363 4.192 50 0 IIAARN COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C2CC2)cc1 ZINC000032412159 569461564 /nfs/dbraw/zinc/46/15/64/569461564.db2.gz MJALCSARCOYADY-MRXNPFEDSA-N 0 0 443.341 4.002 50 0 IIAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032426348 569461636 /nfs/dbraw/zinc/46/16/36/569461636.db2.gz ZFXOIDHLUXILAS-DEOSSOPVSA-N 0 0 427.435 4.188 50 0 IIAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000008184465 569462396 /nfs/dbraw/zinc/46/23/96/569462396.db2.gz SGWUDZFOIDCRBC-FQEVSTJZSA-N 0 0 428.602 4.221 50 0 IIAARN C[C@@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000008241672 569462479 /nfs/dbraw/zinc/46/24/79/569462479.db2.gz BTHBWCNOJLSLCN-ZJRYTYELSA-N 0 0 425.598 4.058 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1C ZINC000067218429 569464967 /nfs/dbraw/zinc/46/49/67/569464967.db2.gz LYMUKTJATAZMRL-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3Br)n(C(C)C)c(=O)c2[nH]1 ZINC000067236146 569465387 /nfs/dbraw/zinc/46/53/87/569465387.db2.gz ORVPCZCAKKAWMW-UHFFFAOYSA-N 0 0 449.374 4.416 50 0 IIAARN Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237336 569465501 /nfs/dbraw/zinc/46/55/01/569465501.db2.gz NFYVICKYXUPOFT-UHFFFAOYSA-N 0 0 440.544 4.260 50 0 IIAARN O=C(CSc1ccc(F)cc1)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000038669274 569465999 /nfs/dbraw/zinc/46/59/99/569465999.db2.gz GKSVPDNJCIVYKX-UHFFFAOYSA-N 0 0 430.505 4.187 50 0 IIAARN COc1ccc(Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1F ZINC000067260595 569466423 /nfs/dbraw/zinc/46/64/23/569466423.db2.gz UZZBAOKOMQMHBR-UHFFFAOYSA-N 0 0 431.471 4.130 50 0 IIAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4F)ccn3n2)cc1 ZINC000067260982 569466462 /nfs/dbraw/zinc/46/64/62/569466462.db2.gz ZYCHQMUWSFMIEX-UHFFFAOYSA-N 0 0 432.499 4.132 50 0 IIAARN COc1ccccc1N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)CC1 ZINC000067288155 569467414 /nfs/dbraw/zinc/46/74/14/569467414.db2.gz PBUQNHOKDPSWAH-UHFFFAOYSA-N 0 0 448.542 4.335 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cc(Cl)ccc4C)c3)n2)c1 ZINC000067289497 569467475 /nfs/dbraw/zinc/46/74/75/569467475.db2.gz NZOMUHVRSREUAY-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN Cc1ccc(-c2cc3c(SCC(=O)NCc4ccc5c(c4)OCO5)nccn3n2)cc1C ZINC000067289941 569467534 /nfs/dbraw/zinc/46/75/34/569467534.db2.gz CVEHQDNPSWRTRK-UHFFFAOYSA-N 0 0 446.532 4.150 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F ZINC000067292368 569467719 /nfs/dbraw/zinc/46/77/19/569467719.db2.gz YLDWZLCKLJXKJV-RPKJYVOXSA-N 0 0 445.288 4.476 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294295 569467837 /nfs/dbraw/zinc/46/78/37/569467837.db2.gz CXDXFBINBSNFGX-RWEWTDSWSA-N 0 0 429.432 4.113 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298725 569468064 /nfs/dbraw/zinc/46/80/64/569468064.db2.gz HOJQECRGEZFPMN-IDICYNCBSA-N 0 0 432.398 4.298 50 0 IIAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1CCO ZINC000067300685 569468219 /nfs/dbraw/zinc/46/82/19/569468219.db2.gz GZONPIAPFBQZOP-UHFFFAOYSA-N 0 0 439.943 4.169 50 0 IIAARN CC(C)Sc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cc1 ZINC000038727321 569468381 /nfs/dbraw/zinc/46/83/81/569468381.db2.gz IOFMUAABVJETIH-WOJBJXKFSA-N 0 0 428.623 4.266 50 0 IIAARN CCc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1 ZINC000067317789 569468477 /nfs/dbraw/zinc/46/84/77/569468477.db2.gz KARIVZHXQJDWIQ-UHFFFAOYSA-N 0 0 430.508 4.054 50 0 IIAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323413 569468774 /nfs/dbraw/zinc/46/87/74/569468774.db2.gz ROSUUCFXYYTQCK-UHFFFAOYSA-N 0 0 445.445 4.422 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[C@@H](C)CC)cc1 ZINC000067335192 569468807 /nfs/dbraw/zinc/46/88/07/569468807.db2.gz AQBGPNYDVMEWKP-ZDUSSCGKSA-N 0 0 445.566 4.337 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 ZINC000067335287 569468906 /nfs/dbraw/zinc/46/89/06/569468906.db2.gz YFNGLTRXJDLHEC-UHFFFAOYSA-N 0 0 425.535 4.393 50 0 IIAARN CCOC(=O)c1ccc(-n2nnnc2C2(Nc3ccc(NC(C)=O)cc3)CCCCC2)cc1 ZINC000008695408 569470212 /nfs/dbraw/zinc/47/02/12/569470212.db2.gz CLADVVJULGLAIS-UHFFFAOYSA-N 0 0 448.527 4.069 50 0 IIAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000008709264 569470735 /nfs/dbraw/zinc/47/07/35/569470735.db2.gz RAVVKJZQNBGASC-UHFFFAOYSA-N 0 0 435.446 4.105 50 0 IIAARN C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008709122 569470767 /nfs/dbraw/zinc/47/07/67/569470767.db2.gz OQDIYAKDGWXFRS-MRXNPFEDSA-N 0 0 432.553 4.347 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008718686 569471342 /nfs/dbraw/zinc/47/13/42/569471342.db2.gz GNXRLTTUSDTAQB-LJQANCHMSA-N 0 0 437.565 4.253 50 0 IIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1N1CCCC1 ZINC000008720635 569471655 /nfs/dbraw/zinc/47/16/55/569471655.db2.gz ASGBJNKURAJLEZ-UHFFFAOYSA-N 0 0 449.382 4.411 50 0 IIAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008720732 569471666 /nfs/dbraw/zinc/47/16/66/569471666.db2.gz QURMICNSGVETJB-FQEVSTJZSA-N 0 0 435.615 4.070 50 0 IIAARN C[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000008721410 569471708 /nfs/dbraw/zinc/47/17/08/569471708.db2.gz FKJPATNCAPDONV-LSDHHAIUSA-N 0 0 439.453 4.359 50 0 IIAARN CCn1c(CSc2nc3ccccc3s2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008725559 569472183 /nfs/dbraw/zinc/47/21/83/569472183.db2.gz WAMVDTNRDPLBCB-UHFFFAOYSA-N 0 0 432.596 4.209 50 0 IIAARN C[C@H](Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCCCC1 ZINC000008750944 569473435 /nfs/dbraw/zinc/47/34/35/569473435.db2.gz VAXSXMZZWSKCAC-KRWDZBQOSA-N 0 0 448.560 4.257 50 0 IIAARN COc1ccc(NC(=O)c2cc3c(n(-c4ccccc4OC)c2=O)CC(C)(C)CC3=O)cc1 ZINC000008757275 569474122 /nfs/dbraw/zinc/47/41/22/569474122.db2.gz JLZZMUIBLOJEEL-UHFFFAOYSA-N 0 0 446.503 4.262 50 0 IIAARN CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3Cc2ccccc2)CO1 ZINC000008769891 569475127 /nfs/dbraw/zinc/47/51/27/569475127.db2.gz QQLAXCWIPJCVIZ-UHFFFAOYSA-N 0 0 446.572 4.367 50 0 IIAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008770387 569475133 /nfs/dbraw/zinc/47/51/33/569475133.db2.gz OWIILOIHCNQSEK-UHFFFAOYSA-N 0 0 433.508 4.267 50 0 IIAARN Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000008775593 569475337 /nfs/dbraw/zinc/47/53/37/569475337.db2.gz KEIWODUMCHZCRM-OAQYLSRUSA-N 0 0 426.929 4.179 50 0 IIAARN CCn1ncc(Cl)c1CN(C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000008782440 569475840 /nfs/dbraw/zinc/47/58/40/569475840.db2.gz POLCYNZCUSAPDH-UHFFFAOYSA-N 0 0 441.841 4.080 50 0 IIAARN Cc1c(O[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 ZINC000008790285 569476018 /nfs/dbraw/zinc/47/60/18/569476018.db2.gz SKYFHLFIFNFOMR-MRXNPFEDSA-N 0 0 430.504 4.198 50 0 biogenic IIAARN CC[C@@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000008790815 569476088 /nfs/dbraw/zinc/47/60/88/569476088.db2.gz GZZRSOQGESJHHY-PZPWOCDFSA-N 0 0 430.508 4.151 50 0 biogenic IIAARN O=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)N1CCCCC1 ZINC000008796039 569476386 /nfs/dbraw/zinc/47/63/86/569476386.db2.gz QQDPMAKVLBOGLP-UHFFFAOYSA-N 0 0 439.556 4.315 50 0 IIAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008813000 569476572 /nfs/dbraw/zinc/47/65/72/569476572.db2.gz UDSHSMRYKGCYNO-LIRRHRJNSA-N 0 0 448.972 4.440 50 0 IIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)o2)cc1 ZINC000008824649 569477208 /nfs/dbraw/zinc/47/72/08/569477208.db2.gz FNDPVYIXUVOSIE-UHFFFAOYSA-N 0 0 435.553 4.312 50 0 IIAARN O=C(COc1ncnc2ccc(Br)cc21)Nc1ccccc1C(F)(F)F ZINC000008825250 569477345 /nfs/dbraw/zinc/47/73/45/569477345.db2.gz QFQLGEUXSWYCKG-UHFFFAOYSA-N 0 0 426.192 4.429 50 0 IIAARN Cc1ccccc1C(=O)N[C@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)C(C)C ZINC000008825430 569477377 /nfs/dbraw/zinc/47/73/77/569477377.db2.gz JIYIOVRYTDEQRH-DEOSSOPVSA-N 0 0 436.552 4.450 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)NC[C@@H]1CCCO1 ZINC000008826404 569477589 /nfs/dbraw/zinc/47/75/89/569477589.db2.gz SNDNZYRHPLBKFK-AWEZNQCLSA-N 0 0 446.935 4.114 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(OC)c3)cs2)cc1 ZINC000008851512 569479390 /nfs/dbraw/zinc/47/93/90/569479390.db2.gz DETPRNCFEVWRLI-UHFFFAOYSA-N 0 0 443.550 4.072 50 0 IIAARN O=C(CSc1nc(CC(=O)N2CCc3ccccc32)cs1)Nc1ccc(F)cc1 ZINC000008851942 569479469 /nfs/dbraw/zinc/47/94/69/569479469.db2.gz PMWHSTLCNYSHSA-UHFFFAOYSA-N 0 0 427.526 4.145 50 0 IIAARN Cc1c(CCNC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1C ZINC000008856147 569479741 /nfs/dbraw/zinc/47/97/41/569479741.db2.gz KZZGNYACJJMBJT-UHFFFAOYSA-N 0 0 431.536 4.002 50 0 IIAARN CCCCn1c(SCC(=O)c2ccccc2F)nc2cc(C(=O)OC)ccc2c1=O ZINC000008861753 569480035 /nfs/dbraw/zinc/48/00/35/569480035.db2.gz KQWUIQYFCACZMG-UHFFFAOYSA-N 0 0 428.485 4.097 50 0 IIAARN C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008862221 569480161 /nfs/dbraw/zinc/48/01/61/569480161.db2.gz ROUCHTHKYVIWMG-LBPRGKRZSA-N 0 0 440.529 4.041 50 0 IIAARN O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000008862304 569480179 /nfs/dbraw/zinc/48/01/79/569480179.db2.gz FDVOGDMNNMMDHQ-UHFFFAOYSA-N 0 0 427.533 4.230 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)cc1 ZINC000008865474 569480265 /nfs/dbraw/zinc/48/02/65/569480265.db2.gz WHCDFOSCUHGRFW-UHFFFAOYSA-N 0 0 448.500 4.150 50 0 IIAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1ccc(C)cc1 ZINC000008874188 569481034 /nfs/dbraw/zinc/48/10/34/569481034.db2.gz WJOIEKQIPIVDMQ-HNNXBMFYSA-N 0 0 446.352 4.283 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000039843986 569481861 /nfs/dbraw/zinc/48/18/61/569481861.db2.gz WCDVJHYJOMWEOM-IYBDPMFKSA-N 0 0 430.501 4.236 50 0 IIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC000039844004 569481872 /nfs/dbraw/zinc/48/18/72/569481872.db2.gz AHBSPJCWWGXFDQ-IYBDPMFKSA-N 0 0 430.501 4.236 50 0 IIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000068741446 569481968 /nfs/dbraw/zinc/48/19/68/569481968.db2.gz QLXKTWPPCQAKHC-UHFFFAOYSA-N 0 0 430.348 4.322 50 0 IIAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000040024407 569482749 /nfs/dbraw/zinc/48/27/49/569482749.db2.gz LBDIKPDKZARHEA-UHFFFAOYSA-N 0 0 438.582 4.437 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc42)CS(=O)(=O)C3)c(C)c1 ZINC000008882626 569482989 /nfs/dbraw/zinc/48/29/89/569482989.db2.gz UFCOXQLWPVDQRB-UHFFFAOYSA-N 0 0 431.517 4.323 50 0 IIAARN CC1CCN(c2nnc(SCc3nnc(-c4ccccc4)o3)n2C[C@H]2CCCO2)CC1 ZINC000040030802 569483067 /nfs/dbraw/zinc/48/30/67/569483067.db2.gz IBKSRNDGWKKILQ-GOSISDBHSA-N 0 0 440.573 4.036 50 0 IIAARN CC(=O)N[C@H](CC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)c1cccs1 ZINC000040032337 569483120 /nfs/dbraw/zinc/48/31/20/569483120.db2.gz DXCWZYGQBWLICR-OAHLLOKOSA-N 0 0 443.550 4.039 50 0 IIAARN O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cccnc1Cl ZINC000008888573 569483290 /nfs/dbraw/zinc/48/32/90/569483290.db2.gz ZYKUXFXRDPERBW-UHFFFAOYSA-N 0 0 438.896 4.445 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1nc(-c2cccs2)oc1C ZINC000040039195 569483301 /nfs/dbraw/zinc/48/33/01/569483301.db2.gz RXGQJPKEHJDPHJ-QFIPXVFZSA-N 0 0 447.564 4.187 50 0 IIAARN O=C(Nc1n[nH]c(-c2cccc(Br)c2)n1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000040047341 569483720 /nfs/dbraw/zinc/48/37/20/569483720.db2.gz PKHRARKJNJVULG-KRWDZBQOSA-N 0 0 443.301 4.044 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000008895064 569483723 /nfs/dbraw/zinc/48/37/23/569483723.db2.gz JTJHAXYCHJFGCD-UHFFFAOYSA-N 0 0 448.972 4.194 50 0 IIAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008895280 569483744 /nfs/dbraw/zinc/48/37/44/569483744.db2.gz XRTWKAOYARXLGP-HHHXNRCGSA-N 0 0 442.515 4.488 50 0 IIAARN Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000040049355 569483882 /nfs/dbraw/zinc/48/38/82/569483882.db2.gz NKJACUNNHOFYPI-UHFFFAOYSA-N 0 0 441.535 4.393 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccccc1I ZINC000040052450 569484559 /nfs/dbraw/zinc/48/45/59/569484559.db2.gz YESIIUIYXJDHMM-UHFFFAOYSA-N 0 0 441.219 4.308 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000040057666 569484599 /nfs/dbraw/zinc/48/45/99/569484599.db2.gz KZQOJYMAAJNYLN-UHFFFAOYSA-N 0 0 430.552 4.296 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)CC2=O)cc1 ZINC000008906436 569484644 /nfs/dbraw/zinc/48/46/44/569484644.db2.gz HULVYTBCHGXMMA-HNNXBMFYSA-N 0 0 442.541 4.270 50 0 IIAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC2CCCCCC2)s1 ZINC000008912370 569485025 /nfs/dbraw/zinc/48/50/25/569485025.db2.gz NSBWBEYPUWCEPG-UHFFFAOYSA-N 0 0 449.019 4.168 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 ZINC000008912647 569485056 /nfs/dbraw/zinc/48/50/56/569485056.db2.gz HIMOEWOCJRIABW-UHFFFAOYSA-N 0 0 445.976 4.463 50 0 IIAARN COc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000008913149 569485247 /nfs/dbraw/zinc/48/52/47/569485247.db2.gz SFCQGBCEHLTMIB-UHFFFAOYSA-N 0 0 447.564 4.437 50 0 IIAARN NC(=O)c1c(NC(=O)CCc2cccs2)sc2c1CCN(Cc1ccccc1)C2 ZINC000040071085 569485697 /nfs/dbraw/zinc/48/56/97/569485697.db2.gz JAHJZAJBDVGZFN-UHFFFAOYSA-N 0 0 425.579 4.038 50 0 IIAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000008916227 569485755 /nfs/dbraw/zinc/48/57/55/569485755.db2.gz GSZPFRSXLZPCDY-OLJONYEBSA-N 0 0 442.902 4.051 50 0 IIAARN CC(C)CCNC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008918218 569486235 /nfs/dbraw/zinc/48/62/35/569486235.db2.gz AMEHVJPVKBSDAO-SANMLTNESA-N 0 0 444.535 4.184 50 0 biogenic IIAARN CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000008923691 569487079 /nfs/dbraw/zinc/48/70/79/569487079.db2.gz ZIKYFAGADWUIST-UHFFFAOYSA-N 0 0 431.492 4.480 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1Cc1ccc(F)cc1 ZINC000008924492 569487188 /nfs/dbraw/zinc/48/71/88/569487188.db2.gz AFBRAAULOQXRQD-UHFFFAOYSA-N 0 0 435.528 4.458 50 0 IIAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC4CCCC4)c(=O)c32)c(C)c1 ZINC000008933271 569487783 /nfs/dbraw/zinc/48/77/83/569487783.db2.gz KEQFICUEVCXQDF-UHFFFAOYSA-N 0 0 442.563 4.384 50 0 IIAARN CN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000008938826 569488205 /nfs/dbraw/zinc/48/82/05/569488205.db2.gz GNSNSSBNYNDKKG-UHFFFAOYSA-N 0 0 446.544 4.036 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008945046 569488973 /nfs/dbraw/zinc/48/89/73/569488973.db2.gz QHOPQLKMXPJACK-VQIMIIECSA-N 0 0 437.565 4.424 50 0 IIAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000040113154 569488988 /nfs/dbraw/zinc/48/89/88/569488988.db2.gz UJDXYZOAILHKMH-CYBMUJFWSA-N 0 0 429.973 4.197 50 0 IIAARN CN1CCN([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)c2cccs2)CC1 ZINC000040121145 569489527 /nfs/dbraw/zinc/48/95/27/569489527.db2.gz SHGPMQFLSJDTSW-HXUWFJFHSA-N 0 0 437.569 4.046 50 0 IIAARN Cc1noc(C)c1CN1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000040123039 569489684 /nfs/dbraw/zinc/48/96/84/569489684.db2.gz IIQPYZQKEOSJGM-UHFFFAOYSA-N 0 0 432.568 4.341 50 0 IIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c12 ZINC000040129375 569489830 /nfs/dbraw/zinc/48/98/30/569489830.db2.gz FFBMSYCEJDDBCR-UHFFFAOYSA-N 0 0 426.542 4.028 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000008959752 569490362 /nfs/dbraw/zinc/49/03/62/569490362.db2.gz KMJGOAZMNSKLCG-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000040134822 569490590 /nfs/dbraw/zinc/49/05/90/569490590.db2.gz ZBGUTGOENAAHRX-UHFFFAOYSA-N 0 0 443.503 4.262 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(C)c1 ZINC000008961508 569491062 /nfs/dbraw/zinc/49/10/62/569491062.db2.gz IZIWLJOXCUGZPP-UHFFFAOYSA-N 0 0 438.505 4.495 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c(OC)c1 ZINC000008965193 569491340 /nfs/dbraw/zinc/49/13/40/569491340.db2.gz YYDXJWWWIRXKOM-KRWDZBQOSA-N 0 0 446.507 4.021 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCc1cccc(Cl)c1 ZINC000008965176 569491356 /nfs/dbraw/zinc/49/13/56/569491356.db2.gz QJUKYASKWMEFJT-QGZVFWFLSA-N 0 0 434.927 4.335 50 0 IIAARN CC[C@H](C(=O)NCc1ccccc1OC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965288 569491377 /nfs/dbraw/zinc/49/13/77/569491377.db2.gz XAYPFWIFAZQQEV-JOCHJYFZSA-N 0 0 444.535 4.080 50 0 IIAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000008966314 569491726 /nfs/dbraw/zinc/49/17/26/569491726.db2.gz UCLNLXGNXIAMMY-AMXDTQDGSA-N 0 0 446.334 4.276 50 0 IIAARN CCc1cccc2sc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000008967357 569491748 /nfs/dbraw/zinc/49/17/48/569491748.db2.gz FDUNESQXUWHTTO-UHFFFAOYSA-N 0 0 428.004 4.085 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CSc3nncs3)nc(=O)c12 ZINC000008980657 569493109 /nfs/dbraw/zinc/49/31/09/569493109.db2.gz NUNYQVBCMYAFGK-UHFFFAOYSA-N 0 0 443.579 4.306 50 0 IIAARN Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccccc3SCc3nc(C)no3)c2)n1 ZINC000040151127 569493264 /nfs/dbraw/zinc/49/32/64/569493264.db2.gz MFWKMBQSILXHBX-UHFFFAOYSA-N 0 0 447.564 4.462 50 0 IIAARN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@H]1c1csc(C)n1 ZINC000040152395 569493409 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IJNYBCRAJNOJQC-UHFFFAOYSA-N 0 0 445.463 4.192 50 0 IIAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)cc1 ZINC000070637597 569548922 /nfs/dbraw/zinc/54/89/22/569548922.db2.gz USIBAFHUJYVDSW-UHFFFAOYSA-N 0 0 442.441 4.133 50 0 IIAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(Br)cc1 ZINC000009582136 569549176 /nfs/dbraw/zinc/54/91/76/569549176.db2.gz VXZJFXSMOCVZAZ-UHFFFAOYSA-N 0 0 436.331 4.018 50 0 IIAARN COc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1 ZINC000009583716 569549318 /nfs/dbraw/zinc/54/93/18/569549318.db2.gz PECQSOIZTGVPPT-CQSZACIVSA-N 0 0 429.929 4.449 50 0 IIAARN CCOc1ccc([C@@H]2OC(c3cc(Br)c(OC)cc3OC)=NN2C(C)=O)cc1 ZINC000009587127 569549766 /nfs/dbraw/zinc/54/97/66/569549766.db2.gz JRYXUSUPQYYPDJ-FQEVSTJZSA-N 0 0 449.301 4.104 50 0 IIAARN C[C@@H](NC(=O)CSc1cccc2cccc(Cl)c21)c1ccc(S(N)(=O)=O)cc1 ZINC000009588663 569549874 /nfs/dbraw/zinc/54/98/74/569549874.db2.gz DGUSQAFZPAQMRQ-CYBMUJFWSA-N 0 0 434.970 4.110 50 0 IIAARN CCc1nc2ccc(C(=O)NCc3cc(Br)ccc3OC)cc2nc1CC ZINC000009589425 569549966 /nfs/dbraw/zinc/54/99/66/569549966.db2.gz NIUIXZHSOWOYGA-UHFFFAOYSA-N 0 0 428.330 4.456 50 0 IIAARN COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccccc2)cc1OC ZINC000009591152 569550175 /nfs/dbraw/zinc/55/01/75/569550175.db2.gz BVSMTGASFSUAFK-UHFFFAOYSA-N 0 0 428.492 4.457 50 0 IIAARN COc1cccc(-n2ccnc2SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 ZINC000009592034 569550282 /nfs/dbraw/zinc/55/02/82/569550282.db2.gz JSZSIZFHBHFQAR-HXUWFJFHSA-N 0 0 425.554 4.453 50 0 IIAARN CC(C)(C)n1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009593812 569550481 /nfs/dbraw/zinc/55/04/81/569550481.db2.gz QPJYRLXMILRIAC-CYBMUJFWSA-N 0 0 432.600 4.021 50 0 IIAARN O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009597540 569550944 /nfs/dbraw/zinc/55/09/44/569550944.db2.gz OXCPGQDBECZPMJ-UHFFFAOYSA-N 0 0 426.325 4.257 50 0 IIAARN CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 ZINC000009598607 569551060 /nfs/dbraw/zinc/55/10/60/569551060.db2.gz FMCKOTDHWJODII-UHFFFAOYSA-N 0 0 430.888 4.453 50 0 IIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000009599559 569551277 /nfs/dbraw/zinc/55/12/77/569551277.db2.gz BNFHISSHJJSXGF-UHFFFAOYSA-N 0 0 443.546 4.394 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccncc2)n2nc(-c3cccc(Cl)c3)nc2N1 ZINC000009601991 569551648 /nfs/dbraw/zinc/55/16/48/569551648.db2.gz IBHPJFIRBJAWIH-FQEVSTJZSA-N 0 0 443.898 4.316 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccncc1 ZINC000009602023 569551679 /nfs/dbraw/zinc/55/16/79/569551679.db2.gz FHNULVOJYSALJT-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000009609674 569552358 /nfs/dbraw/zinc/55/23/58/569552358.db2.gz MAHWWQUINQNSRZ-UHFFFAOYSA-N 0 0 442.567 4.362 50 0 IIAARN COc1ccc(N2Cc3cccc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3C2=O)cc1 ZINC000009609932 569552471 /nfs/dbraw/zinc/55/24/71/569552471.db2.gz DDJQYMYWIOBORC-UHFFFAOYSA-N 0 0 448.475 4.134 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000009612079 569552798 /nfs/dbraw/zinc/55/27/98/569552798.db2.gz RXKRKECTDUXGLZ-XMMPIXPASA-N 0 0 449.576 4.484 50 0 IIAARN Cc1cccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCC(C)CC2)c1C ZINC000009611580 569552808 /nfs/dbraw/zinc/55/28/08/569552808.db2.gz DPSFEQSJKNNBPA-UHFFFAOYSA-N 0 0 437.613 4.164 50 0 IIAARN Cc1cccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCCCC2)c1C ZINC000009611578 569552811 /nfs/dbraw/zinc/55/28/11/569552811.db2.gz IGCHWCXDUNAVCF-UHFFFAOYSA-N 0 0 437.613 4.308 50 0 IIAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1 ZINC000009616332 569553298 /nfs/dbraw/zinc/55/32/98/569553298.db2.gz KBTVUMWPLOETQF-UHFFFAOYSA-N 0 0 443.546 4.177 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cccnc1 ZINC000009631729 569553798 /nfs/dbraw/zinc/55/37/98/569553798.db2.gz HQZNLQSZAZFPCK-UHFFFAOYSA-N 0 0 436.928 4.417 50 0 IIAARN COc1cc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc(OC)c1 ZINC000009632130 569553923 /nfs/dbraw/zinc/55/39/23/569553923.db2.gz JHRWGHWAJQMGSR-UHFFFAOYSA-N 0 0 446.838 4.150 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009633076 569554185 /nfs/dbraw/zinc/55/41/85/569554185.db2.gz XTLQQXFVDUKMHC-UHFFFAOYSA-N 0 0 428.888 4.435 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CSc3nc4cc(OC)ccc4[nH]3)n2)cc1 ZINC000009633618 569554305 /nfs/dbraw/zinc/55/43/05/569554305.db2.gz MCSRWSKTZGUCOV-UHFFFAOYSA-N 0 0 426.523 4.434 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ccc3ccccc3c2=O)cc1 ZINC000009637655 569554862 /nfs/dbraw/zinc/55/48/62/569554862.db2.gz JMHKBBJZPHSZLC-VWLOTQADSA-N 0 0 437.499 4.388 50 0 IIAARN COc1ccccc1-n1nnc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)c1C ZINC000009638267 569554971 /nfs/dbraw/zinc/55/49/71/569554971.db2.gz IIJZPJDDKBBEQP-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN COc1ccc(C)cc1-n1nnc(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)c1C ZINC000009638738 569555020 /nfs/dbraw/zinc/55/50/20/569555020.db2.gz DJYHUXUZQQRSKL-UHFFFAOYSA-N 0 0 434.525 4.280 50 0 IIAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)ns1 ZINC000009638880 569555034 /nfs/dbraw/zinc/55/50/34/569555034.db2.gz YBAGCQUVUXXKRW-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN O=c1cc2nc(-c3ccc(F)cc3)nc(SCc3cccc(Br)c3)n2[nH]1 ZINC000009641161 569555630 /nfs/dbraw/zinc/55/56/30/569555630.db2.gz YXFNQBUNGKUTHY-UHFFFAOYSA-N 0 0 431.290 4.279 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n32)c1 ZINC000009641490 569555755 /nfs/dbraw/zinc/55/57/55/569555755.db2.gz DNNPKFUFFAVLHR-UHFFFAOYSA-N 0 0 439.928 4.086 50 0 IIAARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009642540 569555869 /nfs/dbraw/zinc/55/58/69/569555869.db2.gz ZGAUUGNMEMTOCF-FQEVSTJZSA-N 0 0 445.475 4.257 50 0 IIAARN CCc1sc(-c2nnc(Cn3nnc(-c4ccc(Br)cc4)n3)o2)cc1C ZINC000009644651 569556067 /nfs/dbraw/zinc/55/60/67/569556067.db2.gz DRUCQBPKCSPOPH-UHFFFAOYSA-N 0 0 431.319 4.133 50 0 IIAARN O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000009647420 569556432 /nfs/dbraw/zinc/55/64/32/569556432.db2.gz UKBYPIFXJKORTM-UHFFFAOYSA-N 0 0 425.485 4.060 50 0 IIAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009651285 569556585 /nfs/dbraw/zinc/55/65/85/569556585.db2.gz BBIMJNCZFYPISG-UHFFFAOYSA-N 0 0 446.985 4.002 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1OC ZINC000009659173 569556590 /nfs/dbraw/zinc/55/65/90/569556590.db2.gz OXKSAYGCXFHYIX-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000009660322 569556741 /nfs/dbraw/zinc/55/67/41/569556741.db2.gz LGDIFTZCMDBYBH-UHFFFAOYSA-N 0 0 425.488 4.397 50 0 IIAARN Cc1cc(NC(=O)c2cccc(F)c2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000009661270 569557053 /nfs/dbraw/zinc/55/70/53/569557053.db2.gz FZQXJTHNDGQCSD-UHFFFAOYSA-N 0 0 441.470 4.318 50 0 IIAARN COc1cc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc(OC)c1OC ZINC000009662949 569557212 /nfs/dbraw/zinc/55/72/12/569557212.db2.gz PHSGDAGKMAOXIC-UHFFFAOYSA-N 0 0 429.476 4.253 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000009666640 569557769 /nfs/dbraw/zinc/55/77/69/569557769.db2.gz QFZZOQFCWZBFGS-UHFFFAOYSA-N 0 0 443.443 4.076 50 0 IIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000009667869 569557842 /nfs/dbraw/zinc/55/78/42/569557842.db2.gz DRKCWFWPVVPCOM-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN CC(=O)c1sc2[nH]c(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc(=O)c2c1C ZINC000009669830 569558154 /nfs/dbraw/zinc/55/81/54/569558154.db2.gz QSZPQFQROBKSSZ-UHFFFAOYSA-N 0 0 437.550 4.246 50 0 IIAARN COc1ccc(OCCSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)cc1 ZINC000009669808 569558167 /nfs/dbraw/zinc/55/81/67/569558167.db2.gz LYQAKHOFZSSRLJ-UHFFFAOYSA-N 0 0 448.566 4.182 50 0 IIAARN COCCn1c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000009670075 569558228 /nfs/dbraw/zinc/55/82/28/569558228.db2.gz DPUGIFZQHOSACW-UHFFFAOYSA-N 0 0 426.498 4.042 50 0 IIAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009670298 569558280 /nfs/dbraw/zinc/55/82/80/569558280.db2.gz LTKOVNCKJWRNDB-HNNXBMFYSA-N 0 0 445.953 4.319 50 0 IIAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C)c(Br)c1 ZINC000009670920 569558445 /nfs/dbraw/zinc/55/84/45/569558445.db2.gz AIGKZTFOJZOTTL-UHFFFAOYSA-N 0 0 433.331 4.078 50 0 IIAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)NCc2ccco2)nnc1-c1cccs1 ZINC000009671012 569558472 /nfs/dbraw/zinc/55/84/72/569558472.db2.gz CCIMNEMNGHXEOU-AWEZNQCLSA-N 0 0 440.550 4.394 50 0 IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009671205 569558492 /nfs/dbraw/zinc/55/84/92/569558492.db2.gz BZUYJTIRQBJAGA-UHFFFAOYSA-N 0 0 445.548 4.448 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(Nc3cccc(Cl)c3)s2)cc1 ZINC000009671327 569558513 /nfs/dbraw/zinc/55/85/13/569558513.db2.gz JWHVVGUXPZQYDC-UHFFFAOYSA-N 0 0 434.930 4.453 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)c1 ZINC000009673780 569558989 /nfs/dbraw/zinc/55/89/89/569558989.db2.gz XGPYGXZWNKKGHF-LJQANCHMSA-N 0 0 443.912 4.296 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCCC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009676386 569559419 /nfs/dbraw/zinc/55/94/19/569559419.db2.gz XGUQCXKFSLZUSC-JWQCQUIFSA-N 0 0 448.563 4.380 50 0 IIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000009683005 569560273 /nfs/dbraw/zinc/56/02/73/569560273.db2.gz LJBVWLZZFPYBNE-UHFFFAOYSA-N 0 0 440.487 4.234 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000009684092 569560489 /nfs/dbraw/zinc/56/04/89/569560489.db2.gz VNYKTHOBVIYROV-UHFFFAOYSA-N 0 0 428.554 4.001 50 0 IIAARN Cc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)c(C)c1 ZINC000009691396 569561016 /nfs/dbraw/zinc/56/10/16/569561016.db2.gz LTPSZRHUPWNSFB-UHFFFAOYSA-N 0 0 426.516 4.262 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 ZINC000070900191 569561994 /nfs/dbraw/zinc/56/19/94/569561994.db2.gz JSFYBQIDGJQBMG-UHFFFAOYSA-N 0 0 442.972 4.229 50 0 IIAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009711989 569562100 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IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445800 521573023 /nfs/dbraw/zinc/57/30/23/521573023.db2.gz OSMBXLRNZJCSFH-WOJBJXKFSA-N 0 0 425.533 4.330 50 0 IIAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3C)cc2)c1N ZINC000021115408 521578368 /nfs/dbraw/zinc/57/83/68/521578368.db2.gz RUDVBUFQKBKEKG-UHFFFAOYSA-N 0 0 435.528 4.038 50 0 IIAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000022661379 521599334 /nfs/dbraw/zinc/59/93/34/521599334.db2.gz NGRUYWRHWJGPDA-UHFFFAOYSA-N 0 0 438.572 4.042 50 0 IIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc2c1C ZINC000021150898 521608682 /nfs/dbraw/zinc/60/86/82/521608682.db2.gz MQJPWIYWXOUWRM-FQEVSTJZSA-N 0 0 443.521 4.452 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000017271688 521650387 /nfs/dbraw/zinc/65/03/87/521650387.db2.gz GHSDUUHCVHYTCC-UHFFFAOYSA-N 0 0 447.582 4.368 50 0 IIAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012931888 521668261 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CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)c(F)cc21 ZINC000035535385 521881520 /nfs/dbraw/zinc/88/15/20/521881520.db2.gz BTZGKYOFIYDNRO-UHFFFAOYSA-N 0 0 443.478 4.276 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000012880340 521899263 /nfs/dbraw/zinc/89/92/63/521899263.db2.gz HGKSCBDOFOCILE-UHFFFAOYSA-N 0 0 427.428 4.461 50 0 IIAARN COc1cc(-c2nnc(SCc3nc(C)no3)n2C2CCCCC2)cc(OC)c1OC ZINC000012785070 521911532 /nfs/dbraw/zinc/91/15/32/521911532.db2.gz LATHTVKJJRTGEG-UHFFFAOYSA-N 0 0 445.545 4.460 50 0 IIAARN COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CCCc2cccs2)C3)nc1 ZINC000012157277 521925165 /nfs/dbraw/zinc/92/51/65/521925165.db2.gz CABUGJPZGHNCTD-GOSISDBHSA-N 0 0 436.533 4.039 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc(OC)c1OC ZINC000035586395 521934638 /nfs/dbraw/zinc/93/46/38/521934638.db2.gz LUUCNZFOBBVOCI-RUDMXATFSA-N 0 0 449.385 4.433 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000012917033 521985560 /nfs/dbraw/zinc/98/55/60/521985560.db2.gz PNEIBFAAKNTPQM-NRFANRHFSA-N 0 0 426.563 4.409 50 0 IIAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCc1cccc(Cl)c1 ZINC000012415113 522056637 /nfs/dbraw/zinc/05/66/37/522056637.db2.gz TWDJEURFRUEIBD-UHFFFAOYSA-N 0 0 445.972 4.127 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1F ZINC000012323498 522058597 /nfs/dbraw/zinc/05/85/97/522058597.db2.gz HQULISUVSGXUCS-UHFFFAOYSA-N 0 0 444.528 4.284 50 0 IIAARN COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1OC1CCN(C(C)=O)CC1 ZINC000012710836 522096979 /nfs/dbraw/zinc/09/69/79/522096979.db2.gz OWNAPGNOOGYSOQ-KBMIEXCESA-N 0 0 428.573 4.126 50 0 IIAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000035945568 522097787 /nfs/dbraw/zinc/09/77/87/522097787.db2.gz GUGOCUXEAWEGJZ-MRXNPFEDSA-N 0 0 447.576 4.230 50 0 IIAARN COC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000016047489 522099266 /nfs/dbraw/zinc/09/92/66/522099266.db2.gz RNTIDZHRYDIPFF-UHFFFAOYSA-N 0 0 444.900 4.408 50 0 IIAARN COc1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc(Cl)c1OC(C)C ZINC000012548041 522153432 /nfs/dbraw/zinc/15/34/32/522153432.db2.gz CXVZTZACMJOFMR-UHFFFAOYSA-N 0 0 427.888 4.353 50 0 IIAARN COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020663822 522180595 /nfs/dbraw/zinc/18/05/95/522180595.db2.gz UHKSHABBJUNCRF-LJAQVGFWSA-N 0 0 425.893 4.454 50 0 IIAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000001075336 522188992 /nfs/dbraw/zinc/18/89/92/522188992.db2.gz OMCSVGVMUOLDAP-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN CNS(=O)(=O)c1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(C)c1C ZINC000012771300 522258223 /nfs/dbraw/zinc/25/82/23/522258223.db2.gz YFOLXQOGPVSONK-UHFFFAOYSA-N 0 0 434.608 4.177 50 0 IIAARN COc1cc(CCC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc(OC)c1 ZINC000012766737 522327433 /nfs/dbraw/zinc/32/74/33/522327433.db2.gz DWVUOUQLLBIBBG-UHFFFAOYSA-N 0 0 445.566 4.096 50 0 IIAARN COC(=O)c1sccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037588 522447239 /nfs/dbraw/zinc/44/72/39/522447239.db2.gz OMDPAMIKOXOCPB-KRWDZBQOSA-N 0 0 434.477 4.496 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000035961651 522452314 /nfs/dbraw/zinc/45/23/14/522452314.db2.gz BEWHOAWILSPTRF-HSZRJFAPSA-N 0 0 433.458 4.415 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)c1ccccc1F ZINC000035946781 522453274 /nfs/dbraw/zinc/45/32/74/522453274.db2.gz XEHLTSAWWNTIHZ-FQEVSTJZSA-N 0 0 439.487 4.476 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000036025991 522468934 /nfs/dbraw/zinc/46/89/34/522468934.db2.gz CJGQHJKDBANDLW-UHFFFAOYSA-N 0 0 446.599 4.224 50 0 IIAARN CN(CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015441577 522498048 /nfs/dbraw/zinc/49/80/48/522498048.db2.gz LIIJHNGJRFRBNZ-UHFFFAOYSA-N 0 0 446.857 4.153 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1I ZINC000015289742 522511552 /nfs/dbraw/zinc/51/15/52/522511552.db2.gz OEMSNJRJAXIZHT-UHFFFAOYSA-N 0 0 430.673 4.312 50 0 IIAARN CN(CC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000012609909 522519603 /nfs/dbraw/zinc/51/96/03/522519603.db2.gz KLOBAXVCRKLISP-UHFFFAOYSA-N 0 0 437.565 4.089 50 0 IIAARN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(C)cc1 ZINC000012920273 522670358 /nfs/dbraw/zinc/67/03/58/522670358.db2.gz RQMXWMDOEDJMAS-XMMPIXPASA-N 0 0 440.609 4.152 50 0 IIAARN COc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc(OC)c1OC ZINC000022513508 522730657 /nfs/dbraw/zinc/73/06/57/522730657.db2.gz HZRFQPVBWOQJIS-UHFFFAOYSA-N 0 0 436.443 4.080 50 0 IIAARN COCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)cc2nc(-c3ccccc3)n(C)c21 ZINC000011913512 522779918 /nfs/dbraw/zinc/77/99/18/522779918.db2.gz YIHMZPCQNWXLEA-UHFFFAOYSA-N 0 0 442.519 4.064 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000020445659 522805711 /nfs/dbraw/zinc/80/57/11/522805711.db2.gz ANOMQJOWVYWHCK-QZTJIDSGSA-N 0 0 447.923 4.039 50 0 IIAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)nn12 ZINC000012855494 522806693 /nfs/dbraw/zinc/80/66/93/522806693.db2.gz MQFDWXGTFCRXIC-UHFFFAOYSA-N 0 0 427.917 4.395 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1Cl ZINC000012414716 522809280 /nfs/dbraw/zinc/80/92/80/522809280.db2.gz HRYRDOVIBXUUTE-CQSZACIVSA-N 0 0 426.904 4.156 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000012761795 522871648 /nfs/dbraw/zinc/87/16/48/522871648.db2.gz LNGIZCYKJOGQCI-SFHVURJKSA-N 0 0 434.370 4.152 50 0 IIAARN COc1cc(OC)cc([C@@H](NC(=O)CCOc2cccc3ccccc32)c2nccn2C)c1 ZINC000012544403 522874567 /nfs/dbraw/zinc/87/45/67/522874567.db2.gz WVMMRBCYNCVWGD-RUZDIDTESA-N 0 0 445.519 4.265 50 0 IIAARN COC(=O)C1=CN(C23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccc(OC)c1 ZINC000012371546 522897969 /nfs/dbraw/zinc/89/79/69/522897969.db2.gz WAMOCHGFKPSIRN-UHFFFAOYSA-N 0 0 437.536 4.177 50 0 IIAARN COCc1c2ccccc2oc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000012581274 522903487 /nfs/dbraw/zinc/90/34/87/522903487.db2.gz JIZAJXMBJPTFHP-UHFFFAOYSA-N 0 0 442.537 4.315 50 0 IIAARN CN(CCOc1ccccc1Cl)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040104962 522917759 /nfs/dbraw/zinc/91/77/59/522917759.db2.gz QPXKMIFIVKTJFW-UHFFFAOYSA-N 0 0 429.826 4.175 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)cc2c1OCO2 ZINC000035324380 522961052 /nfs/dbraw/zinc/96/10/52/522961052.db2.gz ACDLTMZEIBYRHK-CQSZACIVSA-N 0 0 431.370 4.103 50 0 IIAARN CC[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000390832747 523015965 /nfs/dbraw/zinc/01/59/65/523015965.db2.gz XCPWKOIUYDTTEE-FGZHOGPDSA-N 0 0 434.467 4.257 50 0 IIAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000012137456 523040140 /nfs/dbraw/zinc/04/01/40/523040140.db2.gz IJICFPXQOLDOJB-JOCHJYFZSA-N 0 0 430.570 4.402 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1ccc(C)s1)CC2 ZINC000024981771 523042996 /nfs/dbraw/zinc/04/29/96/523042996.db2.gz MRKNGCDJYTYTOL-JOCHJYFZSA-N 0 0 429.563 4.410 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)N(C(=O)Nc1ccccc1)CC2 ZINC000036041070 523046797 /nfs/dbraw/zinc/04/67/97/523046797.db2.gz BFGPSRGGCCQLQF-QFIPXVFZSA-N 0 0 445.519 4.265 50 0 IIAARN COc1cc2nc(C(Cl)=Cc3ccc(-n4cccn4)c(F)c3)[nH]c(=O)c2cc1OC ZINC000012805802 523064326 /nfs/dbraw/zinc/06/43/26/523064326.db2.gz PGNJRNAYOHFKAN-ZSOIEALJSA-N 0 0 426.835 4.414 50 0 IIAARN COc1cc2nc(SCC(=O)Nc3ccc(Cc4ccncc4)cc3)[nH]c2cc1OC ZINC000012419727 523067066 /nfs/dbraw/zinc/06/70/66/523067066.db2.gz RFHCJPNSAOOSOL-UHFFFAOYSA-N 0 0 434.521 4.297 50 0 IIAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCc2ccc3c(c2)OCO3)cc1OC ZINC000020856354 523079518 /nfs/dbraw/zinc/07/95/18/523079518.db2.gz GVNJISSYDZPTMJ-UHFFFAOYSA-N 0 0 432.480 4.371 50 0 IIAARN CCn1c(-c2ccncc2)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000012551125 523085749 /nfs/dbraw/zinc/08/57/49/523085749.db2.gz ZPTSNSUSIROCDD-UHFFFAOYSA-N 0 0 448.518 4.294 50 0 IIAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1OC ZINC000012296434 523088967 /nfs/dbraw/zinc/08/89/67/523088967.db2.gz RVECWHJIPMLPJL-UHFFFAOYSA-N 0 0 445.427 4.458 50 0 biogenic IIAARN COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2ccc(-c4ccco4)cc2)C3)nn1 ZINC000012097192 523105945 /nfs/dbraw/zinc/10/59/45/523105945.db2.gz WSLMOGCJGBTUGZ-FQEVSTJZSA-N 0 0 441.487 4.454 50 0 IIAARN COc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)no2)cc1OC ZINC000036019170 523109929 /nfs/dbraw/zinc/10/99/29/523109929.db2.gz DNRNVUMJOLXJFZ-UHFFFAOYSA-N 0 0 436.464 4.026 50 0 IIAARN COc1ccc(-c2cc(N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)ccc2OC)cc1 ZINC000012557757 523114301 /nfs/dbraw/zinc/11/43/01/523114301.db2.gz YXLAYHQBVMZCNM-INIZCTEOSA-N 0 0 434.492 4.216 50 0 IIAARN CCn1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccccc2F)c(C)c1C(=O)OC ZINC000035868961 523123583 /nfs/dbraw/zinc/12/35/83/523123583.db2.gz RYTBVWPAGJPIMN-UHFFFAOYSA-N 0 0 430.520 4.422 50 0 IIAARN CCn1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)c1C(=O)OC ZINC000036025520 523123769 /nfs/dbraw/zinc/12/37/69/523123769.db2.gz FOJIUCRBIZFXGG-OAHLLOKOSA-N 0 0 430.932 4.441 50 0 IIAARN CN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000023528697 523153772 /nfs/dbraw/zinc/15/37/72/523153772.db2.gz WQHAIRVJPSEVSY-UHFFFAOYSA-N 0 0 427.701 4.020 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000020722640 523153944 /nfs/dbraw/zinc/15/39/44/523153944.db2.gz JRTJLQQHONBHKH-SFHVURJKSA-N 0 0 426.860 4.392 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1Cc1ccccc1 ZINC000012421581 523164750 /nfs/dbraw/zinc/16/47/50/523164750.db2.gz GXIWRXSYFHRDSZ-HXUWFJFHSA-N 0 0 428.536 4.411 50 0 IIAARN COc1ccc(-c2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cc1OC ZINC000020673240 523184811 /nfs/dbraw/zinc/18/48/11/523184811.db2.gz UMSXBAQFSRVIOB-UHFFFAOYSA-N 0 0 430.551 4.207 50 0 IIAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cs2)cc1OC ZINC000012762574 523189449 /nfs/dbraw/zinc/18/94/49/523189449.db2.gz SRMUBUGLHYUCQG-UHFFFAOYSA-N 0 0 445.928 4.191 50 0 IIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(C(F)(F)F)n1C ZINC000012999570 523192423 /nfs/dbraw/zinc/19/24/23/523192423.db2.gz SFDVKPKMPPHFKG-UHFFFAOYSA-N 0 0 444.866 4.498 50 0 IIAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1cc(=O)c2cccc(F)c2[nH]1 ZINC000033067711 523199082 /nfs/dbraw/zinc/19/90/82/523199082.db2.gz DOMYISBFURIXLU-UHFFFAOYSA-N 0 0 440.500 4.159 50 0 IIAARN COc1ccc(-c2nc(CSc3nnc(-c4ccc(F)cc4)n3N)cs2)cc1OC ZINC000021332789 523212588 /nfs/dbraw/zinc/21/25/88/523212588.db2.gz OKNSVVXENWUJKC-UHFFFAOYSA-N 0 0 443.529 4.231 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)sc2C)cc1 ZINC000012740402 523222042 /nfs/dbraw/zinc/22/20/42/523222042.db2.gz ANMUNYFTRRZRDH-UHFFFAOYSA-N 0 0 434.521 4.325 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccco1 ZINC000012793163 523223617 /nfs/dbraw/zinc/22/36/17/523223617.db2.gz ILKGTQJDVWROEH-UHFFFAOYSA-N 0 0 434.525 4.352 50 0 IIAARN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000035843587 523236454 /nfs/dbraw/zinc/23/64/54/523236454.db2.gz IVFNBPRRDYECGJ-JOCHJYFZSA-N 0 0 438.515 4.217 50 0 IIAARN COc1ccc(-c2noc(CCC(=O)Nc3cc(C(C)(C)C)ccc3O)n2)cc1OC ZINC000021006814 523282112 /nfs/dbraw/zinc/28/21/12/523282112.db2.gz UZPBRGBHXPTEQC-UHFFFAOYSA-N 0 0 425.485 4.328 50 0 IIAARN CCn1c2ncc(N[C@H](C)CCc3ccc(OC)cc3)cc2c(NC(C)=O)c1C(=O)OC ZINC000014537159 523298062 /nfs/dbraw/zinc/29/80/62/523298062.db2.gz IRQDWTUIPQHOLX-OAHLLOKOSA-N 0 0 438.528 4.243 50 0 IIAARN COc1ccc(-n2c(CCNC(=O)C3CCC3)nnc2SCC2CCCCC2)cc1 ZINC000015070398 523314296 /nfs/dbraw/zinc/31/42/96/523314296.db2.gz ANQFUXSOYBQHOZ-UHFFFAOYSA-N 0 0 428.602 4.407 50 0 IIAARN COC(=O)C[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(C)cc1 ZINC000021710056 523334486 /nfs/dbraw/zinc/33/44/86/523334486.db2.gz CKJGIQCFABCJFH-QHCPKHFHSA-N 0 0 436.508 4.142 50 0 IIAARN COc1ccc(-n2ccnc2S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000012573619 523338154 /nfs/dbraw/zinc/33/81/54/523338154.db2.gz WCSOKECCJZSUTH-HXUWFJFHSA-N 0 0 439.512 4.334 50 0 IIAARN COc1ccc(-n2nc(C)c(CCC(=O)NC[C@@H]3CCCO3)c2Oc2ccccc2)cc1 ZINC000034672305 523345738 /nfs/dbraw/zinc/34/57/38/523345738.db2.gz PMZNVYZDNBWUKA-QFIPXVFZSA-N 0 0 435.524 4.209 50 0 IIAARN COc1ccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1OC ZINC000009409764 523407531 /nfs/dbraw/zinc/40/75/31/523407531.db2.gz QPRINGKKXNUYBH-ACCUITESSA-N 0 0 440.521 4.295 50 0 IIAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C[C@@H](c2ccccc2)N=3)cc1 ZINC000020618218 523464461 /nfs/dbraw/zinc/46/44/61/523464461.db2.gz GHORGEQIGYWLRF-HSCPNVOASA-N 0 0 426.541 4.101 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccncc2)cc1OC ZINC000012566037 523471737 /nfs/dbraw/zinc/47/17/37/523471737.db2.gz HAGVXFMAHQCIEJ-PNHLSOANSA-N 0 0 431.448 4.338 50 0 IIAARN COCCCn1c2nc(-c3ccccc3OC)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605208 523502010 /nfs/dbraw/zinc/50/20/10/523502010.db2.gz FWTYNYIPKQNJEZ-UHFFFAOYSA-N 0 0 425.432 4.185 50 0 IIAARN CO[C@@H](c1nnc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)o1)c1ccccc1 ZINC000012594828 523552165 /nfs/dbraw/zinc/55/21/65/523552165.db2.gz QUDBQWHBDSSPON-HXUWFJFHSA-N 0 0 433.430 4.116 50 0 IIAARN COc1ccc(C(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000009663687 523586355 /nfs/dbraw/zinc/58/63/55/523586355.db2.gz AKYFQOKRYRJBHL-UHFFFAOYSA-N 0 0 436.489 4.022 50 0 IIAARN COc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(cccc3SC)s2)cc1 ZINC000021021236 523612867 /nfs/dbraw/zinc/61/28/67/523612867.db2.gz LWLOSBVOGIEQNO-UHFFFAOYSA-N 0 0 443.594 4.006 50 0 IIAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3csc(C(C)=O)c3)CC2)c1 ZINC000012468990 523628202 /nfs/dbraw/zinc/62/82/02/523628202.db2.gz GWVWGKLWHQUVFI-UHFFFAOYSA-N 0 0 442.581 4.239 50 0 IIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000035889793 523710790 /nfs/dbraw/zinc/71/07/90/523710790.db2.gz SLXDCJBNMOWUCY-UHFFFAOYSA-N 0 0 430.552 4.294 50 0 IIAARN COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022784988 523734239 /nfs/dbraw/zinc/73/42/39/523734239.db2.gz VYXYANQBSOESGI-NLFFAJNJSA-N 0 0 449.620 4.434 50 0 IIAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc4c(c3)OCO4)c2)cc1 ZINC000035927349 523758810 /nfs/dbraw/zinc/75/88/10/523758810.db2.gz RLAISNOMYSELQN-XMMPIXPASA-N 0 0 448.500 4.455 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)NC(C)C ZINC000009668032 523759027 /nfs/dbraw/zinc/75/90/27/523759027.db2.gz UNOVDUZCTXZGIZ-UHFFFAOYSA-N 0 0 440.521 4.427 50 0 IIAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000012783793 523778746 /nfs/dbraw/zinc/77/87/46/523778746.db2.gz YHQFNYPGROOIOE-NRFANRHFSA-N 0 0 440.569 4.000 50 0 IIAARN COc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000012770428 523795376 /nfs/dbraw/zinc/79/53/76/523795376.db2.gz KMHZBTRAHNMGLJ-ZDUSSCGKSA-N 0 0 434.448 4.108 50 0 IIAARN COc1ccc(C)cc1CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000012816081 523813839 /nfs/dbraw/zinc/81/38/39/523813839.db2.gz FNKYKYBUFDVWRC-CYBMUJFWSA-N 0 0 449.370 4.149 50 0 IIAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)N[C@@H](C)c4ccccc4)nc(CC)n23)s1 ZINC000020862710 523845798 /nfs/dbraw/zinc/84/57/98/523845798.db2.gz SEEQZXAILOFOQI-INIZCTEOSA-N 0 0 436.581 4.493 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961135 523874925 /nfs/dbraw/zinc/87/49/25/523874925.db2.gz YSEFLFQHPJEGMR-HSZRJFAPSA-N 0 0 449.551 4.030 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@@H]([C@@H](C)CC)NC12CCN(C(=S)Nc1ccccc1F)CC2 ZINC000036028033 523879267 /nfs/dbraw/zinc/87/92/67/523879267.db2.gz HZRBDPXXRGVNCU-ABSDTBQOSA-N 0 0 434.625 4.207 50 0 IIAARN COC(=O)[C@H](CC(C)C)NC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000041097986 523895650 /nfs/dbraw/zinc/89/56/50/523895650.db2.gz KDEKZQJMBSHKFI-HNNXBMFYSA-N 0 0 442.368 4.393 50 0 IIAARN COc1ccc(CC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC ZINC000015778686 523904621 /nfs/dbraw/zinc/90/46/21/523904621.db2.gz GZBFTNKWMQAZSX-HSZRJFAPSA-N 0 0 447.466 4.341 50 0 IIAARN COc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(OC)c1OC ZINC000012767194 523911150 /nfs/dbraw/zinc/91/11/50/523911150.db2.gz WUZWYYCJTILPIN-UHFFFAOYSA-N 0 0 434.464 4.219 50 0 IIAARN COc1ccc(CC(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1 ZINC000035461079 523911301 /nfs/dbraw/zinc/91/13/01/523911301.db2.gz YIJILRHYWMKKNY-UHFFFAOYSA-N 0 0 425.448 4.260 50 0 IIAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCC(C)C)C(C)=O)cc1OC ZINC000035809056 523941701 /nfs/dbraw/zinc/94/17/01/523941701.db2.gz ONHJNENUZSZHOQ-UHFFFAOYSA-N 0 0 444.572 4.071 50 0 IIAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(C)(=O)=O)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000035770507 523942269 /nfs/dbraw/zinc/94/22/69/523942269.db2.gz WZDZJPJGZPKIIR-ZDUSSCGKSA-N 0 0 442.484 4.144 50 0 IIAARN COc1ccc(CCN2C[C@H](C(=O)N3CCC(CCc4ccccc4)CC3)CCC2=O)cc1 ZINC000012373039 523951372 /nfs/dbraw/zinc/95/13/72/523951372.db2.gz KBWBODFGTKYADA-RUZDIDTESA-N 0 0 448.607 4.348 50 0 IIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccccc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884649 523953306 /nfs/dbraw/zinc/95/33/06/523953306.db2.gz DMFDCDIMIOVRMB-SFHVURJKSA-N 0 0 430.504 4.300 50 0 IIAARN COc1ccc(CCNC(=O)Cc2c(Br)oc3ccc(F)cc32)cc1OC ZINC000015083990 523961270 /nfs/dbraw/zinc/96/12/70/523961270.db2.gz NEVNUSWCCAUHCA-UHFFFAOYSA-N 0 0 436.277 4.253 50 0 IIAARN CN(C)C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2 ZINC000012531597 523994747 /nfs/dbraw/zinc/99/47/47/523994747.db2.gz ACOSUWGDQLMYGH-SFQUDFHCSA-N 0 0 444.487 4.085 50 0 IIAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000012781131 523995858 /nfs/dbraw/zinc/99/58/58/523995858.db2.gz UYTZORCHBKMAIA-OAQYLSRUSA-N 0 0 445.544 4.195 50 0 IIAARN CN(C)C(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849117 524003611 /nfs/dbraw/zinc/00/36/11/524003611.db2.gz NJAZTVVVGVUGJK-UHFFFAOYSA-N 0 0 427.618 4.421 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000806 524022283 /nfs/dbraw/zinc/02/22/83/524022283.db2.gz FYWONNWLURSSOZ-UHFFFAOYSA-N 0 0 428.872 4.190 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CCC2=O)cc1 ZINC000012208755 524031174 /nfs/dbraw/zinc/03/11/74/524031174.db2.gz APNUPCBHSSIJRX-UHFFFAOYSA-N 0 0 432.495 4.376 50 0 IIAARN CN1c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000021717821 524031828 /nfs/dbraw/zinc/03/18/28/524031828.db2.gz KOLVENILAXKQNW-UHFFFAOYSA-N 0 0 442.500 4.408 50 0 IIAARN CN1c2ccccc2Oc2cc(Cl)c(C(=O)Nc3ccccc3O)cc2S1(=O)=O ZINC000035325813 524035888 /nfs/dbraw/zinc/03/58/88/524035888.db2.gz CIBOFCSTTGIQCO-UHFFFAOYSA-N 0 0 430.869 4.229 50 0 IIAARN COc1ccc(CNC(=O)CNC(=S)N(Cc2cccs2)C2CCCCC2)cc1 ZINC000020678490 524051955 /nfs/dbraw/zinc/05/19/55/524051955.db2.gz RFOHEJMLFHWQOU-UHFFFAOYSA-N 0 0 431.627 4.082 50 0 IIAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670569 524052681 /nfs/dbraw/zinc/05/26/81/524052681.db2.gz ILCXSXIALMKEOU-LJQANCHMSA-N 0 0 428.471 4.208 50 0 IIAARN C[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccncc3)n(C)c2c(NC(=O)C2CCC2)c1 ZINC000012099849 524094466 /nfs/dbraw/zinc/09/44/66/524094466.db2.gz XTSKPKTUFUXDTD-MRXNPFEDSA-N 0 0 431.540 4.389 50 0 IIAARN Cc1ccc(C)c(CN2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000021662966 524101198 /nfs/dbraw/zinc/10/11/98/524101198.db2.gz IOMFPFLJIJXYAH-UHFFFAOYSA-N 0 0 438.524 4.180 50 0 IIAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4cc(F)ccc4F)c3s2)C1 ZINC000035533508 524108828 /nfs/dbraw/zinc/10/88/28/524108828.db2.gz HJPAUYMYKKXEHJ-NSHDSACASA-N 0 0 435.525 4.332 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000248063054 524117483 /nfs/dbraw/zinc/11/74/83/524117483.db2.gz DGNRCPDHLFRQQP-UZLBHIALSA-N 0 0 430.595 4.217 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)c1 ZINC000035535061 524140943 /nfs/dbraw/zinc/14/09/43/524140943.db2.gz FWUGKWPQGHBHBA-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1 ZINC000020579513 524141938 /nfs/dbraw/zinc/14/19/38/524141938.db2.gz UVSGAVXEBYGVNT-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN COc1ccc(Cc2noc(CN(C)Cc3csc(-c4cccs4)n3)n2)cc1OC ZINC000020536020 524169640 /nfs/dbraw/zinc/16/96/40/524169640.db2.gz BBBGKVILNAZPJA-UHFFFAOYSA-N 0 0 442.566 4.495 50 0 IIAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)n[nH]1 ZINC000012591837 524190074 /nfs/dbraw/zinc/19/00/74/524190074.db2.gz HFBWJKVGAVZHIK-LBPRGKRZSA-N 0 0 431.949 4.319 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1 ZINC000012796271 524200306 /nfs/dbraw/zinc/20/03/06/524200306.db2.gz SOFHRNGXWRVTIK-UHFFFAOYSA-N 0 0 429.929 4.403 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000012317720 524222608 /nfs/dbraw/zinc/22/26/08/524222608.db2.gz IIYOHQMWZKMQQP-INIZCTEOSA-N 0 0 440.931 4.267 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000012876647 524235515 /nfs/dbraw/zinc/23/55/15/524235515.db2.gz ABGUHZHOHZWMPA-GFCCVEGCSA-N 0 0 441.384 4.050 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(I)c3)n2)C1 ZINC000012796230 524237724 /nfs/dbraw/zinc/23/77/24/524237724.db2.gz DWOUBJJZRBRVEA-GFCCVEGCSA-N 0 0 441.338 4.232 50 0 IIAARN COc1ccc(Cl)cc1Nc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1 ZINC000012235176 524247922 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Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)cc1 ZINC000021908546 525096917 /nfs/dbraw/zinc/09/69/17/525096917.db2.gz JVSFCHNRZABGQL-HNNXBMFYSA-N 0 0 441.578 4.010 50 0 IIAARN C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911382 525103797 /nfs/dbraw/zinc/10/37/97/525103797.db2.gz ULRBRDDTKXDNLD-SJLPKXTDSA-N 0 0 437.565 4.124 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1F ZINC000035535294 525103853 /nfs/dbraw/zinc/10/38/53/525103853.db2.gz IQJLHDRORFQSPV-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4n(Cc4ccccc4)cc-3c2=O)cc1 ZINC000020937197 525107142 /nfs/dbraw/zinc/10/71/42/525107142.db2.gz KVDJCKCQDKKNAK-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1C ZINC000035425102 525107983 /nfs/dbraw/zinc/10/79/83/525107983.db2.gz LZMXUTLZRIHVRD-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)c(C)c1 ZINC000021924933 525134625 /nfs/dbraw/zinc/13/46/25/525134625.db2.gz OTSYNZOCGRULOQ-UHFFFAOYSA-N 0 0 440.551 4.387 50 0 IIAARN Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000035531520 525148999 /nfs/dbraw/zinc/14/89/99/525148999.db2.gz GBAZOGSNCXSOET-UHFFFAOYSA-N 0 0 442.625 4.400 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCCc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561201 525169650 /nfs/dbraw/zinc/16/96/50/525169650.db2.gz SOYRVDHCMXZAOG-HSZRJFAPSA-N 0 0 444.531 4.150 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Br)cc3Cl)ccc21 ZINC000012796390 525173352 /nfs/dbraw/zinc/17/33/52/525173352.db2.gz HFIGQXFPLFFBGF-UHFFFAOYSA-N 0 0 443.750 4.067 50 0 IIAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)C2=CCCCC2)CC1)N(C)C(=O)Cn1cccn1 ZINC000012164944 525191743 /nfs/dbraw/zinc/19/17/43/525191743.db2.gz NSPSGWOFLVKIGS-VWLOTQADSA-N 0 0 448.611 4.000 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1F ZINC000012888252 525193462 /nfs/dbraw/zinc/19/34/62/525193462.db2.gz CWKQUWPQDZIDJH-OAHLLOKOSA-N 0 0 448.541 4.427 50 0 IIAARN Cc1cc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)C(C)C)ccc1Br ZINC000033127586 525196134 /nfs/dbraw/zinc/19/61/34/525196134.db2.gz ZOPVKFDVYFLUHM-LJQANCHMSA-N 0 0 430.346 4.493 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000021863900 525197168 /nfs/dbraw/zinc/19/71/68/525197168.db2.gz WDIQNQGEOXSLCZ-RUZDIDTESA-N 0 0 435.499 4.361 50 0 IIAARN Cc1ccccc1C[C@H](C1CCN(C(=O)C2=CCCCC2)CC1)N(C)C(=O)Cn1cccn1 ZINC000012164953 525197716 /nfs/dbraw/zinc/19/77/16/525197716.db2.gz NSPSGWOFLVKIGS-RUZDIDTESA-N 0 0 448.611 4.000 50 0 IIAARN COc1ccc([C@@H](NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c2nccn2C)cc1 ZINC000012520253 525199859 /nfs/dbraw/zinc/19/98/59/525199859.db2.gz XWVLTHGAAYGSOU-HXUWFJFHSA-N 0 0 437.569 4.324 50 0 IIAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000013130439 525210710 /nfs/dbraw/zinc/21/07/10/525210710.db2.gz BPSUOTFMOPDYQM-INIZCTEOSA-N 0 0 428.941 4.310 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000022296248 525212599 /nfs/dbraw/zinc/21/25/99/525212599.db2.gz HBYLPXKALHCSJS-LBTNJELSSA-N 0 0 430.599 4.063 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759864 525212817 /nfs/dbraw/zinc/21/28/17/525212817.db2.gz YBBLFYMJWBEQQZ-ZIAGYGMSSA-N 0 0 438.391 4.401 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccc(F)cc3)c2)cc1F ZINC000020664718 525239497 /nfs/dbraw/zinc/23/94/97/525239497.db2.gz LTCBETTZBYKHRT-UHFFFAOYSA-N 0 0 434.439 4.143 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000012927783 525243106 /nfs/dbraw/zinc/24/31/06/525243106.db2.gz KRTXDKHCBNVOLA-UHFFFAOYSA-N 0 0 426.441 4.485 50 0 IIAARN CS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185447 525243223 /nfs/dbraw/zinc/24/32/23/525243223.db2.gz UTSIBAMPMIBEAJ-LJQANCHMSA-N 0 0 444.578 4.493 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C\c2ccc3c(c2)OCO3)cs1 ZINC000035681605 525244300 /nfs/dbraw/zinc/24/43/00/525244300.db2.gz JYAAKRZMZIQHNO-CLFYSBASSA-N 0 0 436.489 4.118 50 0 IIAARN CS(=O)(=O)c1ccc(F)c(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1 ZINC000013006435 525250988 /nfs/dbraw/zinc/25/09/88/525250988.db2.gz GDWFTWHKRPPDKK-QFIPXVFZSA-N 0 0 437.496 4.175 50 0 IIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1ccncc1 ZINC000022753240 525346094 /nfs/dbraw/zinc/34/60/94/525346094.db2.gz ZQXSUKITOWJOKY-OAHLLOKOSA-N 0 0 429.929 4.051 50 0 IIAARN Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1C(C)C ZINC000012822016 525357217 /nfs/dbraw/zinc/35/72/17/525357217.db2.gz WKFNODNEPQKDKC-UHFFFAOYSA-N 0 0 438.524 4.103 50 0 IIAARN Cc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3Cl)ncc2Cl)cc1 ZINC000015859865 525368823 /nfs/dbraw/zinc/36/88/23/525368823.db2.gz XLZVQHHNEMFTKW-UHFFFAOYSA-N 0 0 437.304 4.285 50 0 IIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295222 525386571 /nfs/dbraw/zinc/38/65/71/525386571.db2.gz DLSOYNIVDJYXRY-CALCHBBNSA-N 0 0 442.629 4.287 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1 ZINC000012641080 525387176 /nfs/dbraw/zinc/38/71/76/525387176.db2.gz WPZIIKYQQOXSIP-HDICACEKSA-N 0 0 439.581 4.406 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)NC(C)(C)C)cc1 ZINC000035946486 525405882 /nfs/dbraw/zinc/40/58/82/525405882.db2.gz QWSBJLXSJWLXED-HXUWFJFHSA-N 0 0 442.947 4.124 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2F)cc1 ZINC000012549096 525407152 /nfs/dbraw/zinc/40/71/52/525407152.db2.gz GUONCTUCHMHPEZ-HSZRJFAPSA-N 0 0 432.451 4.369 50 0 IIAARN Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CCN(Cc2ccc(F)cc2F)CC3)cc1 ZINC000012098519 525415953 /nfs/dbraw/zinc/41/59/53/525415953.db2.gz JOJJPXDSNHZHJO-JOCHJYFZSA-N 0 0 428.523 4.413 50 0 IIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000012880508 525435155 /nfs/dbraw/zinc/43/51/55/525435155.db2.gz XHWDMVJCCDHQOJ-ZVJPJEPFSA-N 0 0 435.520 4.332 50 0 biogenic IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000012683953 525438083 /nfs/dbraw/zinc/43/80/83/525438083.db2.gz JXKPKVRVFMJMBU-SPLOXXLWSA-N 0 0 442.462 4.324 50 0 IIAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000020604868 525486920 /nfs/dbraw/zinc/48/69/20/525486920.db2.gz UMBXNUFHYAPKOW-UHFFFAOYSA-N 0 0 429.548 4.141 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000020859278 525494689 /nfs/dbraw/zinc/49/46/89/525494689.db2.gz QLVGHNUVVURAGM-UHFFFAOYSA-N 0 0 425.535 4.017 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2)cc1 ZINC000016962406 525499015 /nfs/dbraw/zinc/49/90/15/525499015.db2.gz KAKJBXZPNSXVTO-KRWDZBQOSA-N 0 0 440.487 4.235 50 0 IIAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012551018 525505880 /nfs/dbraw/zinc/50/58/80/525505880.db2.gz BBHITATWLWDIEU-LBPRGKRZSA-N 0 0 440.750 4.328 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000035911126 525551894 /nfs/dbraw/zinc/55/18/94/525551894.db2.gz GZVQSBGMJFMIKG-AOYPEHQESA-N 0 0 445.538 4.018 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000035399343 525552708 /nfs/dbraw/zinc/55/27/08/525552708.db2.gz AHTVDNUIGNRAMM-UHFFFAOYSA-N 0 0 443.956 4.245 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cc(C)cc(C)c4)sc3C2)cc1 ZINC000021654645 525554194 /nfs/dbraw/zinc/55/41/94/525554194.db2.gz HWXDOIKJXTYPCT-UHFFFAOYSA-N 0 0 441.578 4.068 50 0 IIAARN Cc1cc2c(cc1C)n(CC(=O)Nc1ccccc1F)cc(C(=O)c1ccncc1)c2=O ZINC000035535161 525605501 /nfs/dbraw/zinc/60/55/01/525605501.db2.gz FNAXNSSXQVVRDH-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCOC(C)C)C3=O)o1 ZINC000033331888 525617762 /nfs/dbraw/zinc/61/77/62/525617762.db2.gz VBVFFHDVEBSOIK-XMMPIXPASA-N 0 0 429.561 4.021 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1)C3=O ZINC000021857292 525644182 /nfs/dbraw/zinc/64/41/82/525644182.db2.gz FPYXRZYECUDIOA-AREMUKBSSA-N 0 0 431.536 4.123 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1F)C3=O ZINC000021857587 525644591 /nfs/dbraw/zinc/64/45/91/525644591.db2.gz DQFSPJRQBSQPMP-AREMUKBSSA-N 0 0 449.526 4.263 50 0 IIAARN Cc1ccc(SCC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1 ZINC000021099439 525648162 /nfs/dbraw/zinc/64/81/62/525648162.db2.gz JHFWZNMEJUSAID-UHFFFAOYSA-N 0 0 431.517 4.313 50 0 IIAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3ccc(F)cc3)cc(=O)n2o1 ZINC000035429423 525675098 /nfs/dbraw/zinc/67/50/98/525675098.db2.gz PLNRIMDFJRYZJP-UHFFFAOYSA-N 0 0 439.468 4.045 50 0 IIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c12 ZINC000020947275 525677575 /nfs/dbraw/zinc/67/75/75/525677575.db2.gz OEPVHSMRCYRFPL-QHCPKHFHSA-N 0 0 440.547 4.306 50 0 IIAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@H](C)Cc4ccco4)cc3)cc2c1 ZINC000012901363 525684063 /nfs/dbraw/zinc/68/40/63/525684063.db2.gz IDJWPQQORQINIP-MRXNPFEDSA-N 0 0 433.460 4.188 50 0 biogenic IIAARN Cc1cc2sc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)nc2c(C)c1 ZINC000023655134 525700694 /nfs/dbraw/zinc/70/06/94/525700694.db2.gz AZISPJDQRRLWBN-UHFFFAOYSA-N 0 0 429.567 4.340 50 0 IIAARN COc1cccc(-c2nc(COC(=O)c3cc(Cl)c(N)cc3OC)cs2)c1OC ZINC000016753177 525725164 /nfs/dbraw/zinc/72/51/64/525725164.db2.gz MOKJRZMWTOFBEG-UHFFFAOYSA-N 0 0 434.901 4.429 50 0 IIAARN COc1cccc(-n2c(CNC(=O)c3ccco3)nnc2SCCc2ccccc2)c1 ZINC000012098669 525745947 /nfs/dbraw/zinc/74/59/47/525745947.db2.gz IHLRWUOAQLORKK-UHFFFAOYSA-N 0 0 434.521 4.134 50 0 IIAARN CSCc1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)o1 ZINC000012922711 525767053 /nfs/dbraw/zinc/76/70/53/525767053.db2.gz JLTGHWJKPCDDNC-HNNXBMFYSA-N 0 0 445.566 4.166 50 0 IIAARN COc1cccc(/C=C\C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1OC ZINC000035315846 525769830 /nfs/dbraw/zinc/76/98/30/525769830.db2.gz BNKHEYIWGSKSCW-MSUUIHNZSA-N 0 0 431.488 4.166 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(C4CCCCC4)n3N)n2)cc1 ZINC000012348592 525780848 /nfs/dbraw/zinc/78/08/48/525780848.db2.gz ATOOXDRCPADLNK-UHFFFAOYSA-N 0 0 428.587 4.202 50 0 IIAARN Cc1ccc(-c2csc(SCc3noc(CCC(=O)Nc4nncs4)n3)n2)cc1 ZINC000033270752 525785424 /nfs/dbraw/zinc/78/54/24/525785424.db2.gz PXZUBRFTXPJLET-UHFFFAOYSA-N 0 0 444.567 4.217 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)COc2c3ccccc3oc2C(=O)N1Cc1cccc(F)c1 ZINC000021915837 525790104 /nfs/dbraw/zinc/79/01/04/525790104.db2.gz FCFUZHFVKBJAMI-VWLOTQADSA-N 0 0 436.483 4.424 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000021863895 525790457 /nfs/dbraw/zinc/79/04/57/525790457.db2.gz WDIQNQGEOXSLCZ-VWLOTQADSA-N 0 0 435.499 4.361 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 ZINC000020918803 525794574 /nfs/dbraw/zinc/79/45/74/525794574.db2.gz ZSXPNMJGKKVWFX-SANMLTNESA-N 0 0 448.542 4.429 50 0 IIAARN Cc1c(NC(=O)CN2CCC(CCc3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000012332486 525834819 /nfs/dbraw/zinc/83/48/19/525834819.db2.gz LDNGXVSWKSQNOI-UHFFFAOYSA-N 0 0 446.595 4.076 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962158 525857051 /nfs/dbraw/zinc/85/70/51/525857051.db2.gz QQWVJXCQSQJXHQ-QFIPXVFZSA-N 0 0 439.943 4.285 50 0 IIAARN Cc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2C)cc1 ZINC000012866817 525857760 /nfs/dbraw/zinc/85/77/60/525857760.db2.gz QQNQOHJUOQFOSD-LJQANCHMSA-N 0 0 438.528 4.243 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000035963280 525858233 /nfs/dbraw/zinc/85/82/33/525858233.db2.gz YWPDJFUMFAMMNH-OAQYLSRUSA-N 0 0 442.947 4.076 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)c1 ZINC000035962648 525858473 /nfs/dbraw/zinc/85/84/73/525858473.db2.gz DVOWGJXKAVMEGA-DEOSSOPVSA-N 0 0 445.494 4.284 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc1 ZINC000012759794 525877825 /nfs/dbraw/zinc/87/78/25/525877825.db2.gz OSQTWZKHNBFXOF-UHFFFAOYSA-N 0 0 431.323 4.310 50 0 IIAARN COc1cccc(CN2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4C)CCC2=O)c1 ZINC000012248030 525944341 /nfs/dbraw/zinc/94/43/41/525944341.db2.gz RXEUNLLIEUXCGK-UHFFFAOYSA-N 0 0 441.531 4.215 50 0 IIAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016750648 525945572 /nfs/dbraw/zinc/94/55/72/525945572.db2.gz BVYYNJRYUYWFCF-GOSISDBHSA-N 0 0 429.513 4.327 50 0 IIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000012768028 525945732 /nfs/dbraw/zinc/94/57/32/525945732.db2.gz YUGRIPDWLOLSGO-FHNWIRHTSA-N 0 0 448.903 4.099 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@@H](C)C2=O)c1 ZINC000035909267 525960069 /nfs/dbraw/zinc/96/00/69/525960069.db2.gz DCNHOMOZVPFPII-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccc2c(c1)OCO2)oc1c3CCCC1 ZINC000012887821 525963527 /nfs/dbraw/zinc/96/35/27/525963527.db2.gz CGVPLZPWNOTLSK-UHFFFAOYSA-N 0 0 445.471 4.314 50 0 biogenic IIAARN COc1cccc(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000012818290 525964229 /nfs/dbraw/zinc/96/42/29/525964229.db2.gz WGYPOHJSBOPQNR-UHFFFAOYSA-N 0 0 431.414 4.016 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccccc1C(N)=O)oc1c3CCCC1 ZINC000012886709 525964482 /nfs/dbraw/zinc/96/44/82/525964482.db2.gz UCSGRYRGBAJWHB-UHFFFAOYSA-N 0 0 430.460 4.007 50 0 biogenic IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000012761688 525968617 /nfs/dbraw/zinc/96/86/17/525968617.db2.gz AGXIIAPREQWHEN-LJQANCHMSA-N 0 0 434.540 4.054 50 0 IIAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc12 ZINC000020624253 525997541 /nfs/dbraw/zinc/99/75/41/525997541.db2.gz FPHMDGWNCJWHNC-UHFFFAOYSA-N 0 0 448.494 4.279 50 0 IIAARN C[C@@H](Sc1nnnn1Cc1cccs1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000021738187 526018589 /nfs/dbraw/zinc/01/85/89/526018589.db2.gz TXYLYLIUDBIWMM-WDEREUQCSA-N 0 0 444.611 4.059 50 0 IIAARN C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000012678616 526021568 /nfs/dbraw/zinc/02/15/68/526021568.db2.gz FDLYBOZTACRHOV-HNNXBMFYSA-N 0 0 439.589 4.391 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000021533679 526035947 /nfs/dbraw/zinc/03/59/47/526035947.db2.gz DFYCJXIKKGISBN-UHFFFAOYSA-N 0 0 433.474 4.419 50 0 IIAARN Cc1ccc([C@H]2SC[C@H]3C(=O)N(c4cnn(Cc5ccccc5F)c4)C(=S)N32)cc1 ZINC000020607405 526045042 /nfs/dbraw/zinc/04/50/42/526045042.db2.gz PVTUKFQWJXJMLM-PZJWPPBQSA-N 0 0 438.553 4.127 50 0 IIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4ccsc4)no3)C2=O)cc1C ZINC000020976156 526052777 /nfs/dbraw/zinc/05/27/77/526052777.db2.gz KCGRWGZNFAWWCG-DEOSSOPVSA-N 0 0 444.516 4.411 50 0 IIAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccccc4C)cn3)CC2)cc1 ZINC000034680906 526094936 /nfs/dbraw/zinc/09/49/36/526094936.db2.gz UYQFVDQOCHMVTN-UHFFFAOYSA-N 0 0 428.536 4.303 50 0 IIAARN COc1cccc(Cn2c3ccccc3c3ncn(Cc4ccccc4OC)c(=O)c32)c1 ZINC000035400238 526108409 /nfs/dbraw/zinc/10/84/09/526108409.db2.gz CAIHEXQVXUIACE-UHFFFAOYSA-N 0 0 425.488 4.465 50 0 IIAARN CSc1cccc(NC(=O)NCCn2cnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000021653708 526125556 /nfs/dbraw/zinc/12/55/56/526125556.db2.gz MWQFUACHMSPUJQ-UHFFFAOYSA-N 0 0 437.569 4.252 50 0 IIAARN CSc1cccc(NC(=O)c2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c1 ZINC000033063223 526135201 /nfs/dbraw/zinc/13/52/01/526135201.db2.gz UJAHRRDBJKMFNC-FQEVSTJZSA-N 0 0 425.535 4.063 50 0 IIAARN COc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C)cc2C)CC3)c1 ZINC000034927530 526138529 /nfs/dbraw/zinc/13/85/29/526138529.db2.gz CBSDJTKHGSFNER-UHFFFAOYSA-N 0 0 425.554 4.416 50 0 IIAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C2=O)c1 ZINC000020933592 526139790 /nfs/dbraw/zinc/13/97/90/526139790.db2.gz FEMLIKCEZMMDSH-HXUWFJFHSA-N 0 0 427.476 4.046 50 0 IIAARN CSc1ccccc1NC(=O)CCCn1nc(C)c(I)c1C ZINC000012372192 526164961 /nfs/dbraw/zinc/16/49/61/526164961.db2.gz BHTUHXWKZYZTOK-UHFFFAOYSA-N 0 0 429.327 4.245 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1ccccc1Cl ZINC000012793077 526169227 /nfs/dbraw/zinc/16/92/27/526169227.db2.gz GEHGMJXNNXIGJT-UHFFFAOYSA-N 0 0 438.753 4.310 50 0 IIAARN Cc1cc(Br)ccc1OCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000012655017 526173514 /nfs/dbraw/zinc/17/35/14/526173514.db2.gz PFBIYZLFLXPNSC-UHFFFAOYSA-N 0 0 436.693 4.156 50 0 IIAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000012511310 526189725 /nfs/dbraw/zinc/18/97/25/526189725.db2.gz GIGALNZIUJVWAY-CYBMUJFWSA-N 0 0 433.940 4.413 50 0 IIAARN Cc1cc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccccc2Br)c(C)s1 ZINC000012880566 526198022 /nfs/dbraw/zinc/19/80/22/526198022.db2.gz HKMAMVDGPLTUEK-UHFFFAOYSA-N 0 0 437.359 4.187 50 0 IIAARN Cc1cc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1Cc1ccco1 ZINC000012530554 526210261 /nfs/dbraw/zinc/21/02/61/526210261.db2.gz DSQVTCVVAPNGSX-UHFFFAOYSA-N 0 0 437.492 4.265 50 0 IIAARN Cc1cc(C(=O)COc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012599305 526212604 /nfs/dbraw/zinc/21/26/04/526212604.db2.gz VANKKRPIBMKOSP-UHFFFAOYSA-N 0 0 446.503 4.270 50 0 IIAARN COc1cccc(Nc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)c1 ZINC000014901933 526213414 /nfs/dbraw/zinc/21/34/14/526213414.db2.gz RTNKKNMOUKHTKM-UHFFFAOYSA-N 0 0 426.527 4.460 50 0 IIAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)N1CCCC[C@H]1C ZINC000035399981 526216427 /nfs/dbraw/zinc/21/64/27/526216427.db2.gz HOJICMFRSCTRBC-LJQANCHMSA-N 0 0 428.536 4.109 50 0 IIAARN CSc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc2s1 ZINC000012799761 526216609 /nfs/dbraw/zinc/21/66/09/526216609.db2.gz FOTLPQHTHTZNCK-UHFFFAOYSA-N 0 0 441.987 4.174 50 0 IIAARN CSc1ncc(Cl)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020500956 526221517 /nfs/dbraw/zinc/22/15/17/526221517.db2.gz OOHHJYQYZSPKRS-UHFFFAOYSA-N 0 0 438.984 4.399 50 0 IIAARN COc1cccc(OCC(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 ZINC000035597613 526226387 /nfs/dbraw/zinc/22/63/87/526226387.db2.gz JYJUNIWOVGZDCU-UHFFFAOYSA-N 0 0 436.537 4.230 50 0 IIAARN Cc1ccc2nc(CN3CCN(C(=O)Nc4ccc(Br)cc4F)CC3)oc2c1 ZINC000035534349 526247457 /nfs/dbraw/zinc/24/74/57/526247457.db2.gz KRONJGICWMZNJN-UHFFFAOYSA-N 0 0 447.308 4.388 50 0 IIAARN Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000012885883 526257602 /nfs/dbraw/zinc/25/76/02/526257602.db2.gz IVNLFVBDZZUDIC-UHFFFAOYSA-N 0 0 445.357 4.434 50 0 IIAARN C[C@H]1CCCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012155194 526265061 /nfs/dbraw/zinc/26/50/61/526265061.db2.gz UYMFSCBNFABKMI-UZTOHYMASA-N 0 0 430.548 4.161 50 0 IIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(I)cc1 ZINC000012868497 526272235 /nfs/dbraw/zinc/27/22/35/526272235.db2.gz OTVKATGBQQUEIN-UHFFFAOYSA-N 0 0 425.314 4.332 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccco3)N(C)C)cc12 ZINC000012785656 526290937 /nfs/dbraw/zinc/29/09/37/526290937.db2.gz WTFNTIBQGOLDQA-GOSISDBHSA-N 0 0 426.517 4.219 50 0 IIAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(=O)oc1c2C ZINC000012893473 526291184 /nfs/dbraw/zinc/29/11/84/526291184.db2.gz YOLQITULJBJVND-UHFFFAOYSA-N 0 0 445.519 4.141 50 0 biogenic IIAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1 ZINC000023455916 526314931 /nfs/dbraw/zinc/31/49/31/526314931.db2.gz MZOJACPSFLVPSJ-UHFFFAOYSA-N 0 0 435.553 4.463 50 0 IIAARN Cc1nnc(SCC(=O)N2CCS[C@H]2c2ccccc2F)n1-c1ccccc1C ZINC000012511405 526379818 /nfs/dbraw/zinc/37/98/18/526379818.db2.gz SMNDANWNWLAURW-FQEVSTJZSA-N 0 0 428.558 4.390 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000015774162 526392551 /nfs/dbraw/zinc/39/25/51/526392551.db2.gz IHLDCJJQRAEGRH-UHFFFAOYSA-N 0 0 441.940 4.337 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000022480810 526393311 /nfs/dbraw/zinc/39/33/11/526393311.db2.gz RUSLBTYXRCZFLZ-OAQYLSRUSA-N 0 0 425.536 4.200 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1nc(-c2ccncc2)no1 ZINC000012409573 526393523 /nfs/dbraw/zinc/39/35/23/526393523.db2.gz UFTRSLQYZPKERL-UHFFFAOYSA-N 0 0 439.475 4.164 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000012562307 526393603 /nfs/dbraw/zinc/39/36/03/526393603.db2.gz IOJOUDNVYMXRKS-JLPGSUDCSA-N 0 0 427.479 4.437 50 0 IIAARN Cc1nnc2sc(-c3ccc(CNC(=O)CSc4ccc(Cl)cc4)cc3)nn12 ZINC000020427346 526424460 /nfs/dbraw/zinc/42/44/60/526424460.db2.gz MCOGKULMXCBBTF-UHFFFAOYSA-N 0 0 429.958 4.223 50 0 IIAARN O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035893621 526443795 /nfs/dbraw/zinc/44/37/95/526443795.db2.gz UKKXVKMFGLWTHY-YKSBVNFPSA-N 0 0 435.568 4.114 50 0 IIAARN O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000035893618 526443923 /nfs/dbraw/zinc/44/39/23/526443923.db2.gz UKKXVKMFGLWTHY-HYBUGGRVSA-N 0 0 435.568 4.114 50 0 IIAARN O=C(Oc1ccccc1N1CCCCC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001033294 526447149 /nfs/dbraw/zinc/44/71/49/526447149.db2.gz ZOWXTAHWGKKULS-UHFFFAOYSA-N 0 0 434.462 4.308 50 0 IIAARN c1ccc(CO[C@H]2[C@H]3OC4(CCCCC4)O[C@H]3O[C@H]2[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000012661354 526473302 /nfs/dbraw/zinc/47/33/02/526473302.db2.gz OAEPJJXLQXXGMV-LHGONGGSSA-N 0 0 430.541 4.448 50 0 biogenic IIAARN Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1 ZINC000012759917 526488936 /nfs/dbraw/zinc/48/89/36/526488936.db2.gz WEZNZSPBSCCQSR-UHFFFAOYSA-N 0 0 431.489 4.111 50 0 IIAARN Cc1noc(C)c1CN1CC[NH+]([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020745105 526504196 /nfs/dbraw/zinc/50/41/96/526504196.db2.gz LSZHYOSOIFAVLY-VWLOTQADSA-N 0 0 444.535 4.383 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000015000933 526563006 /nfs/dbraw/zinc/56/30/06/526563006.db2.gz BIWIFIQCWDVQJL-AJTFRIOCSA-N 0 0 448.563 4.183 50 0 IIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3c4ccccc4oc3c2=O)cs1 ZINC000016277270 526579724 /nfs/dbraw/zinc/57/97/24/526579724.db2.gz SHWOTZXCOMIOTG-UHFFFAOYSA-N 0 0 442.500 4.164 50 0 IIAARN Cc1nc(-c2cccc(N3C[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)CC3=O)c2)no1 ZINC000021534596 526584081 /nfs/dbraw/zinc/58/40/81/526584081.db2.gz RVSNTKWJAPSOJZ-AWEZNQCLSA-N 0 0 430.386 4.055 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2n[nH]cc2CCc2ccccc2)CC1 ZINC000012244742 526598412 /nfs/dbraw/zinc/59/84/12/526598412.db2.gz DQMWGXFBKXGHCY-UHFFFAOYSA-N 0 0 431.536 4.262 50 0 IIAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012685394 526606341 /nfs/dbraw/zinc/60/63/41/526606341.db2.gz DHRFKMIRMAEGJQ-UHFFFAOYSA-N 0 0 443.956 4.069 50 0 IIAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1ccc(F)cc1F ZINC000021721766 526651757 /nfs/dbraw/zinc/65/17/57/526651757.db2.gz RILLWTABXFFHGZ-UHFFFAOYSA-N 0 0 443.435 4.261 50 0 IIAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc(Cl)nc4)n3)ccc21)N1CCCCC1 ZINC000035460344 526682034 /nfs/dbraw/zinc/68/20/34/526682034.db2.gz OTEPMLYTOYKRQC-UHFFFAOYSA-N 0 0 436.903 4.204 50 0 IIAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(C(F)(F)F)cc1 ZINC000012821707 526686103 /nfs/dbraw/zinc/68/61/03/526686103.db2.gz GBPCRTDEADGZHS-UHFFFAOYSA-N 0 0 435.471 4.062 50 0 IIAARN O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000035893630 526719897 /nfs/dbraw/zinc/71/98/97/526719897.db2.gz SBAIAUKRDVGTPA-SQJMNOBHSA-N 0 0 433.502 4.149 50 0 IIAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012790972 526726716 /nfs/dbraw/zinc/72/67/16/526726716.db2.gz IYSPNHTXSINPRO-UHFFFAOYSA-N 0 0 428.536 4.283 50 0 IIAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1nc(-c2ccncc2)no1 ZINC000023130351 526728638 /nfs/dbraw/zinc/72/86/38/526728638.db2.gz NGZZSTMIBKZJGV-UHFFFAOYSA-N 0 0 439.859 4.109 50 0 IIAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012508148 526776925 /nfs/dbraw/zinc/77/69/25/526776925.db2.gz XLPNCIZPOQERBB-JXFKEZNVSA-N 0 0 442.537 4.011 50 0 IIAARN O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1cccc(Cl)c1 ZINC000023351481 526777464 /nfs/dbraw/zinc/77/74/64/526777464.db2.gz UERGXSPPGQHIQD-UHFFFAOYSA-N 0 0 426.973 4.220 50 0 IIAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc(Cl)cc1Cl ZINC000022917578 526777709 /nfs/dbraw/zinc/77/77/09/526777709.db2.gz NZIWOMNJKPEWLY-UHFFFAOYSA-N 0 0 449.407 4.037 50 0 IIAARN O=C(c1ccccc1)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006229 526792586 /nfs/dbraw/zinc/79/25/86/526792586.db2.gz WWIWZANSLYRISC-UHFFFAOYSA-N 0 0 438.535 4.045 50 0 IIAARN O=C(NCc1nccs1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012150252 526833116 /nfs/dbraw/zinc/83/31/16/526833116.db2.gz PCBMOBWMJWOGDW-UHFFFAOYSA-N 0 0 442.548 4.082 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000012858521 526848719 /nfs/dbraw/zinc/84/87/19/526848719.db2.gz XNRAKGHPAIQJHW-UHFFFAOYSA-N 0 0 437.805 4.431 50 0 IIAARN O=C(c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1=O)N1CCCC1 ZINC000012245007 526864377 /nfs/dbraw/zinc/86/43/77/526864377.db2.gz LMAWNIFLWQCOTE-PMACEKPBSA-N 0 0 439.600 4.242 50 0 IIAARN Cc1sc(NC(=O)COc2ccc3c(c2)CCC3)c(C(=O)NCc2cccnc2)c1C ZINC000016400402 526881874 /nfs/dbraw/zinc/88/18/74/526881874.db2.gz OXSNNVUQZIDQHJ-UHFFFAOYSA-N 0 0 435.549 4.196 50 0 IIAARN Cc1sc(NC(=O)c2ccc(CN3CCOCC3)cc2)nc1-c1ccc(F)c(F)c1 ZINC000012808352 526882938 /nfs/dbraw/zinc/88/29/38/526882938.db2.gz GKONQULDAZZJIB-UHFFFAOYSA-N 0 0 429.492 4.481 50 0 IIAARN NC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000000865027 526900617 /nfs/dbraw/zinc/90/06/17/526900617.db2.gz FDLBGSWGJIPWME-UHFFFAOYSA-N 0 0 445.588 4.294 50 0 biogenic IIAARN O=C(COC(=O)c1ccco1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012491775 526917693 /nfs/dbraw/zinc/91/76/93/526917693.db2.gz OZVNIHUMFTVAQQ-UHFFFAOYSA-N 0 0 431.492 4.368 50 0 IIAARN NC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1 ZINC000022408297 526945299 /nfs/dbraw/zinc/94/52/99/526945299.db2.gz AEPWINRZDSDQTO-GOSISDBHSA-N 0 0 445.361 4.178 50 0 IIAARN O=C(COc1ccc(Br)cc1Br)N[C@@H]1CCc2ccccc21 ZINC000012759653 526948883 /nfs/dbraw/zinc/94/88/83/526948883.db2.gz JFZBMEWFGMVJMS-OAHLLOKOSA-N 0 0 425.120 4.394 50 0 IIAARN O=C(COc1ccc2oc3ccccc3c2c1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000012736974 526973162 /nfs/dbraw/zinc/97/31/62/526973162.db2.gz RVTIKZJUYYYTCR-QHCPKHFHSA-N 0 0 430.504 4.155 50 0 IIAARN Clc1ccccc1CN1CCO[C@@H](CSc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000023995305 526988777 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COc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001219322 555685356 /nfs/dbraw/zinc/68/53/56/555685356.db2.gz DRQUTPAYPHBUAH-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001220672 555685738 /nfs/dbraw/zinc/68/57/38/555685738.db2.gz JFBWBUHOBJTDIU-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000001307593 555689709 /nfs/dbraw/zinc/68/97/09/555689709.db2.gz SDQRNMAXUUOXIU-QFIPXVFZSA-N 0 0 445.544 4.226 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000001410565 555694353 /nfs/dbraw/zinc/69/43/53/555694353.db2.gz IOVXPDQPIQJKKA-UHFFFAOYSA-N 0 0 437.912 4.209 50 0 IIAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1I ZINC000001432685 555696580 /nfs/dbraw/zinc/69/65/80/555696580.db2.gz MDDSDCVSUUTDKO-UHFFFAOYSA-N 0 0 440.244 4.253 50 0 IIAARN COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000001441253 555697604 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/nfs/dbraw/zinc/80/38/40/555803840.db2.gz IDGNMONUPBLNFW-SNVBAGLBSA-N 0 0 429.464 4.212 50 0 IIAARN Cc1cccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2cccc(C)c2)c1 ZINC000034692952 555805645 /nfs/dbraw/zinc/80/56/45/555805645.db2.gz IVIIEVXJAFHKGB-UHFFFAOYSA-N 0 0 436.515 4.062 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)Cc2ccccc2)cc1 ZINC000002810692 555827231 /nfs/dbraw/zinc/82/72/31/555827231.db2.gz SQOBXVXTXBKFHL-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN CCc1ccccc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 ZINC000002813270 555827911 /nfs/dbraw/zinc/82/79/11/555827911.db2.gz HUNBTGUZEKXYIO-UHFFFAOYSA-N 0 0 426.582 4.451 50 0 IIAARN COc1cccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002814974 555828455 /nfs/dbraw/zinc/82/84/55/555828455.db2.gz QBAFULYVCZTHQL-UHFFFAOYSA-N 0 0 442.581 4.206 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 ZINC000002835505 555832591 /nfs/dbraw/zinc/83/25/91/555832591.db2.gz PZMNOTSBLRHXMC-CYBMUJFWSA-N 0 0 431.359 4.214 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000002835820 555832910 /nfs/dbraw/zinc/83/29/10/555832910.db2.gz ZVDWMDLDRVOPHO-UHFFFAOYSA-N 0 0 426.523 4.032 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)CSc1ccccc1)CCCC2 ZINC000002840360 555835019 /nfs/dbraw/zinc/83/50/19/555835019.db2.gz AHJIWWKCHJBTOM-UHFFFAOYSA-N 0 0 434.608 4.409 50 0 IIAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000002841003 555835584 /nfs/dbraw/zinc/83/55/84/555835584.db2.gz DJWPGOOKPMEDAM-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2N)cc1 ZINC000002843066 555836370 /nfs/dbraw/zinc/83/63/70/555836370.db2.gz GNAVUZAZPPXLGU-UHFFFAOYSA-N 0 0 438.340 4.095 50 0 IIAARN C[C@@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000002843602 555836680 /nfs/dbraw/zinc/83/66/80/555836680.db2.gz AMZHDWVPKVJXQO-GFCCVEGCSA-N 0 0 434.867 4.002 50 0 IIAARN COCCCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002852897 555840187 /nfs/dbraw/zinc/84/01/87/555840187.db2.gz IXHFIHSNFLUSRQ-UHFFFAOYSA-N 0 0 448.397 4.117 50 0 IIAARN O=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000002853427 555840402 /nfs/dbraw/zinc/84/04/02/555840402.db2.gz DPXOESXHNGOWMT-NSHDSACASA-N 0 0 427.220 4.460 50 0 IIAARN Cc1cc(C)cc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000002859515 555843913 /nfs/dbraw/zinc/84/39/13/555843913.db2.gz CLMKFOPJRYIBKI-KRWDZBQOSA-N 0 0 447.354 4.070 50 0 IIAARN Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1 ZINC000002860871 555844479 /nfs/dbraw/zinc/84/44/79/555844479.db2.gz CXJOQEHPHBSKLV-UHFFFAOYSA-N 0 0 433.489 4.103 50 0 IIAARN Cc1ccc(C)c(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 ZINC000002867487 555848164 /nfs/dbraw/zinc/84/81/64/555848164.db2.gz GWCIXOYFCMNMMH-UHFFFAOYSA-N 0 0 445.544 4.096 50 0 IIAARN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(OC)c1 ZINC000002873618 555850680 /nfs/dbraw/zinc/85/06/80/555850680.db2.gz XARMAQVXDCDPDF-UHFFFAOYSA-N 0 0 440.521 4.374 50 0 IIAARN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002880925 555854928 /nfs/dbraw/zinc/85/49/28/555854928.db2.gz RWZPWTYAUGTURP-NSHDSACASA-N 0 0 435.760 4.118 50 0 IIAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000002880824 555854998 /nfs/dbraw/zinc/85/49/98/555854998.db2.gz MLWMFWGZWNPAEH-UHFFFAOYSA-N 0 0 428.945 4.165 50 0 IIAARN CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002882022 555855959 /nfs/dbraw/zinc/85/59/59/555855959.db2.gz MIVLXYMOOQMVTC-UHFFFAOYSA-N 0 0 447.354 4.252 50 0 IIAARN Cn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1nccs1 ZINC000002884483 555857186 /nfs/dbraw/zinc/85/71/86/555857186.db2.gz RFFNHYPTXHTTLV-UHFFFAOYSA-N 0 0 425.992 4.089 50 0 IIAARN CCCCOc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000002884873 555857458 /nfs/dbraw/zinc/85/74/58/555857458.db2.gz BQXMLORXBCXSEY-UHFFFAOYSA-N 0 0 431.295 4.271 50 0 IIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000002886402 555858094 /nfs/dbraw/zinc/85/80/94/555858094.db2.gz UHMXBHLFZYBHFO-IBGZPJMESA-N 0 0 438.549 4.222 50 0 IIAARN O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002887412 555858771 /nfs/dbraw/zinc/85/87/71/555858771.db2.gz DOOMIBPVJLNNSD-UHFFFAOYSA-N 0 0 431.802 4.204 50 0 IIAARN CCOC(=O)CSc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000002890804 555859521 /nfs/dbraw/zinc/85/95/21/555859521.db2.gz UCCYPYYLPZVPHO-UHFFFAOYSA-N 0 0 432.343 4.411 50 0 IIAARN CCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002911948 555862279 /nfs/dbraw/zinc/86/22/79/555862279.db2.gz PQEHNNKBQVANCE-LJQANCHMSA-N 0 0 426.498 4.267 50 0 IIAARN C[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000002958481 555867325 /nfs/dbraw/zinc/86/73/25/555867325.db2.gz OAVASHHEUJPYPJ-GFCCVEGCSA-N 0 0 434.867 4.002 50 0 IIAARN CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002966174 555868552 /nfs/dbraw/zinc/86/85/52/555868552.db2.gz MCFRGBDMVJVABZ-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN Cc1cccc(CN(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002995026 555875999 /nfs/dbraw/zinc/87/59/99/555875999.db2.gz QSERQJMZLOZYCM-UHFFFAOYSA-N 0 0 434.989 4.098 50 0 IIAARN COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1Br ZINC000010546389 555876332 /nfs/dbraw/zinc/87/63/32/555876332.db2.gz FNBGKNPWMHJNQN-ZDUSSCGKSA-N 0 0 444.329 4.362 50 0 IIAARN CC(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003003045 555878205 /nfs/dbraw/zinc/87/82/05/555878205.db2.gz XIDOFKTUKCVREK-UHFFFAOYSA-N 0 0 449.787 4.362 50 0 IIAARN COc1ccc(CCNC(=O)c2cnn3c2nccc3-c2ccc(C)c(C)c2)cc1OC ZINC000034786263 555896622 /nfs/dbraw/zinc/89/66/22/555896622.db2.gz GYILEXPFXQTSPI-UHFFFAOYSA-N 0 0 430.508 4.003 50 0 IIAARN COc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000034757695 555902333 /nfs/dbraw/zinc/90/23/33/555902333.db2.gz KNPQBHPUPNVXRD-UHFFFAOYSA-N 0 0 444.535 4.005 50 0 IIAARN CCCCNC(=O)N1CCN(c2nc(CCCC)nc3onc(-c4ccccc4)c32)CC1 ZINC000034810605 555908409 /nfs/dbraw/zinc/90/84/09/555908409.db2.gz OHPPKERPLZGSOJ-UHFFFAOYSA-N 0 0 436.560 4.259 50 0 IIAARN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1cccs1)c1csc(COc2ccccc2)n1 ZINC000034905081 555919421 /nfs/dbraw/zinc/91/94/21/555919421.db2.gz PRQTXJLSVQYRHU-SJORKVTESA-N 0 0 441.578 4.255 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)c3ccc(F)cc3)cs2)c1 ZINC000034905416 555919738 /nfs/dbraw/zinc/91/97/38/555919738.db2.gz FECXJIFRCBZWGW-UHFFFAOYSA-N 0 0 441.528 4.028 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)c3cccc(F)c3)cs2)c1 ZINC000034905438 555919835 /nfs/dbraw/zinc/91/98/35/555919835.db2.gz UELIZMSEAXINJC-UHFFFAOYSA-N 0 0 441.528 4.028 50 0 IIAARN CCCCn1c2ccccc2nc1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000034909989 555923063 /nfs/dbraw/zinc/92/30/63/555923063.db2.gz ROCMWJBIYVZHGP-UHFFFAOYSA-N 0 0 434.540 4.098 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000003364385 555927338 /nfs/dbraw/zinc/92/73/38/555927338.db2.gz TVDLGSOPEUJOME-UHFFFAOYSA-N 0 0 449.554 4.487 50 0 IIAARN COc1ccc(CN2C[C@@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916671 555930552 /nfs/dbraw/zinc/93/05/52/555930552.db2.gz ZXLCPUGNHKTKRE-UKILVPOCSA-N 0 0 428.532 4.144 50 0 IIAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)C24CC5CC(CC(C5)C2)C4)CC3)cc1 ZINC000034924525 555933310 /nfs/dbraw/zinc/93/33/10/555933310.db2.gz QLUAJGQLTMJXLW-UHFFFAOYSA-N 0 0 440.609 4.310 50 0 IIAARN COc1ccc(NC(=S)NCCCCCNC(=S)Nc2ccc(OC)cc2)cc1 ZINC000004065262 555957426 /nfs/dbraw/zinc/95/74/26/555957426.db2.gz ZWGVTDBETTZDSV-UHFFFAOYSA-N 0 0 432.615 4.147 50 0 IIAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1 ZINC000004111999 555963536 /nfs/dbraw/zinc/96/35/36/555963536.db2.gz IJPPTSNWQLJFSU-UHFFFAOYSA-N 0 0 432.480 4.473 50 0 IIAARN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](c3ccccc3)C3CCCCC3)ccc21 ZINC000004520648 555999415 /nfs/dbraw/zinc/99/94/15/555999415.db2.gz QZGJVZFKUHIKDV-HSZRJFAPSA-N 0 0 426.582 4.238 50 0 IIAARN O=C1c2cc(I)ccc2-c2ccc(I)cc21 ZINC000004552044 556000806 /nfs/dbraw/zinc/00/08/06/556000806.db2.gz JDLJRWMARKAKIA-UHFFFAOYSA-N 0 0 431.998 4.107 50 0 IIAARN CC(C)c1ccc(OCC(=O)NCCCNC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000004657170 556005335 /nfs/dbraw/zinc/00/53/35/556005335.db2.gz JWQFVNFBHAXHRF-UHFFFAOYSA-N 0 0 426.557 4.014 50 0 IIAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccco1 ZINC000002246109 556067306 /nfs/dbraw/zinc/06/73/06/556067306.db2.gz YABFBJZDQDASIO-UHFFFAOYSA-N 0 0 431.883 4.391 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccnc2)cc1 ZINC000006157268 556078495 /nfs/dbraw/zinc/07/84/95/556078495.db2.gz IZUBOAKVPYKEQZ-UHFFFAOYSA-N 0 0 435.484 4.208 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000006839130 556105781 /nfs/dbraw/zinc/10/57/81/556105781.db2.gz CIOHBVHUYDJSRD-JOCHJYFZSA-N 0 0 426.488 4.343 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000002626685 556114860 /nfs/dbraw/zinc/11/48/60/556114860.db2.gz SGZXOPXRAPFFSO-UHFFFAOYSA-N 0 0 443.532 4.322 50 0 IIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(C)cc2)C3=O)cc1 ZINC000002716418 556130752 /nfs/dbraw/zinc/13/07/52/556130752.db2.gz VCISQRRNVACYJN-UHFFFAOYSA-N 0 0 430.504 4.220 50 0 IIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)cc1 ZINC000002716502 556131005 /nfs/dbraw/zinc/13/10/05/556131005.db2.gz VBSYYVQOPVBPAY-UHFFFAOYSA-N 0 0 434.467 4.050 50 0 IIAARN CCOc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)cc1 ZINC000002716503 556131022 /nfs/dbraw/zinc/13/10/22/556131022.db2.gz JEFGWIBUSASXTQ-UHFFFAOYSA-N 0 0 448.494 4.440 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc(F)cc1 ZINC000002717849 556131300 /nfs/dbraw/zinc/13/13/00/556131300.db2.gz VFYRTPKAIAPIGT-UHFFFAOYSA-N 0 0 429.864 4.044 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](C)NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002747085 556136586 /nfs/dbraw/zinc/13/65/86/556136586.db2.gz PJYRIBKMWGIZDZ-HNNXBMFYSA-N 0 0 444.491 4.162 50 0 IIAARN Cc1cnn([C@@H](C)C2N=NC(=S)N2c2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000002808562 556146671 /nfs/dbraw/zinc/14/66/71/556146671.db2.gz RTXDOORFYWZYPI-LBPRGKRZSA-N 0 0 434.356 4.222 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)COc2ccccc2-c2ccccc2)c1C ZINC000010593915 556150649 /nfs/dbraw/zinc/15/06/49/556150649.db2.gz OZQGZVLRBZBOBD-KRWDZBQOSA-N 0 0 435.476 4.279 50 0 IIAARN CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(NC(=O)[C@@]45CC[C@@H](C4)C(C)(C)C5=O)cc3)CC[C@H]1C2 ZINC000008384915 556160525 /nfs/dbraw/zinc/16/05/25/556160525.db2.gz JKCABDIROJPADN-PNNQTHCFSA-N 0 0 436.552 4.354 50 0 IIAARN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)ccc1Cl ZINC000008400791 556166469 /nfs/dbraw/zinc/16/64/69/556166469.db2.gz SWEWSPHXJSJDSJ-CXUHLZMHSA-N 0 0 448.884 4.093 50 0 IIAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1cccc(I)c1 ZINC000008431155 556170792 /nfs/dbraw/zinc/17/07/92/556170792.db2.gz NDLXUNDYJMHUIG-UYAOXDASSA-N 0 0 446.288 4.170 50 0 IIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000008432880 556172109 /nfs/dbraw/zinc/17/21/09/556172109.db2.gz BZWDJZXJZOMQQI-UHFFFAOYSA-N 0 0 432.586 4.467 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000008442278 556177410 /nfs/dbraw/zinc/17/74/10/556177410.db2.gz CLHLBRIKYJXHHC-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN COC(=O)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1 ZINC000008452326 556182779 /nfs/dbraw/zinc/18/27/79/556182779.db2.gz VHYAFUXHXVNYCL-SSKGIWQCSA-N 0 0 432.358 4.481 50 0 IIAARN COC(=O)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1 ZINC000008452323 556182810 /nfs/dbraw/zinc/18/28/10/556182810.db2.gz VHYAFUXHXVNYCL-UGYCIACLSA-N 0 0 432.358 4.481 50 0 IIAARN COc1cc(-c2nnc3sc(-c4cccc(Br)c4)nn32)cc(OC)c1OC ZINC000008453207 556183881 /nfs/dbraw/zinc/18/38/81/556183881.db2.gz VDIKHAFYOGJXCA-UHFFFAOYSA-N 0 0 447.314 4.308 50 0 IIAARN Cc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000008587516 556188290 /nfs/dbraw/zinc/18/82/90/556188290.db2.gz MNOOVRNGPIWJDI-NRFANRHFSA-N 0 0 438.487 4.111 50 0 in-vitro IIAARN Cc1nn(C[C@@H](O)COc2ccc3c(c2)occ(Oc2cccc(C)c2)c3=O)c(C)c1C ZINC000008714537 556201744 /nfs/dbraw/zinc/20/17/44/556201744.db2.gz KHFJFOLNBNFGIX-LJQANCHMSA-N 0 0 434.492 4.455 50 0 IIAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)o1 ZINC000008745164 556208813 /nfs/dbraw/zinc/20/88/13/556208813.db2.gz QPQSWPZQWJOFOK-CQSZACIVSA-N 0 0 426.473 4.077 50 0 IIAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1 ZINC000008816370 556217734 /nfs/dbraw/zinc/21/77/34/556217734.db2.gz BVSSYMULIBKQPB-XDHOZWIPSA-N 0 0 435.867 4.440 50 0 IIAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008838279 556226366 /nfs/dbraw/zinc/22/63/66/556226366.db2.gz NMECJSGEUJSGGT-SFHVURJKSA-N 0 0 425.535 4.446 50 0 IIAARN COc1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(OC)cc3)CC2)cc1 ZINC000008892129 556230690 /nfs/dbraw/zinc/23/06/90/556230690.db2.gz UJZUGKMLVDIHLH-UHFFFAOYSA-N 0 0 444.626 4.288 50 0 IIAARN COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000097546837 556247360 /nfs/dbraw/zinc/24/73/60/556247360.db2.gz LLNXKKJMOBFZOZ-NBGIEHNGSA-N 0 0 449.620 4.434 50 0 IIAARN O=C(Cn1c2ccccc2nc1-c1cncs1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009129243 556248523 /nfs/dbraw/zinc/24/85/23/556248523.db2.gz GFDKXVCZDDKZOA-UHFFFAOYSA-N 0 0 445.548 4.425 50 0 IIAARN CC(C)c1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)s1 ZINC000009147030 556249490 /nfs/dbraw/zinc/24/94/90/556249490.db2.gz MSUSGFJVNGARAL-UHFFFAOYSA-N 0 0 437.554 4.035 50 0 IIAARN COc1cc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc(OC)c1OC ZINC000009159799 556249911 /nfs/dbraw/zinc/24/99/11/556249911.db2.gz MKMYZZYKQXQZSW-INIZCTEOSA-N 0 0 431.492 4.109 50 0 IIAARN CC(C)C[C@@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000097573604 556250266 /nfs/dbraw/zinc/25/02/66/556250266.db2.gz XMYUAAVEAFQPLZ-MRXNPFEDSA-N 0 0 425.554 4.084 50 0 IIAARN O=C(NN1CCOCC1)c1cc(-c2cccc(Br)c2)nc2ccc(Cl)cc21 ZINC000009186934 556250810 /nfs/dbraw/zinc/25/08/10/556250810.db2.gz JGDNQINBQWRODQ-UHFFFAOYSA-N 0 0 446.732 4.295 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009197047 556255079 /nfs/dbraw/zinc/25/50/79/556255079.db2.gz OKDQTTKWLVOMGI-MOPGFXCFSA-N 0 0 427.961 4.454 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197254 556255328 /nfs/dbraw/zinc/25/53/28/556255328.db2.gz VPPFMRMTXGWMNP-MOPGFXCFSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000009197550 556255804 /nfs/dbraw/zinc/25/58/04/556255804.db2.gz IFUMCMABTKXRQM-RBUKOAKNSA-N 0 0 443.960 4.290 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4cccs4)s3)CC2=O)cc1Cl ZINC000009198337 556256429 /nfs/dbraw/zinc/25/64/29/556256429.db2.gz KKBCXPGLMDVDQQ-GFCCVEGCSA-N 0 0 432.958 4.263 50 0 IIAARN Cc1ccccc1N1C[C@H](c2nnc(NC(=O)Cc3c(F)cccc3Cl)s2)CC1=O ZINC000009198740 556256817 /nfs/dbraw/zinc/25/68/17/556256817.db2.gz IJHRWZUXZZVFBN-CYBMUJFWSA-N 0 0 444.919 4.341 50 0 IIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCSc3ccccc3)s2)CC1=O ZINC000009224816 556258569 /nfs/dbraw/zinc/25/85/69/556258569.db2.gz MMAMDQLPVDVEKH-INIZCTEOSA-N 0 0 438.578 4.488 50 0 IIAARN COc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225757 556259781 /nfs/dbraw/zinc/25/97/81/556259781.db2.gz QLGLLQQFKQQJFI-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000097571432 556261064 /nfs/dbraw/zinc/26/10/64/556261064.db2.gz PUDUDHITXJGYCL-KRWDZBQOSA-N 0 0 431.876 4.288 50 0 IIAARN CCOc1cc(-c2nn3c(nnc(-c4ccccc4)c3=O)s2)cc(OCC)c1OCC ZINC000009227310 556261078 /nfs/dbraw/zinc/26/10/78/556261078.db2.gz LJKWFQBAWHGKMF-UHFFFAOYSA-N 0 0 438.509 4.076 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009237667 556264476 /nfs/dbraw/zinc/26/44/76/556264476.db2.gz ZSLQUUICHVPGRX-CVEARBPZSA-N 0 0 437.422 4.142 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239263 556265562 /nfs/dbraw/zinc/26/55/62/556265562.db2.gz UYXBQBFFORCQDQ-IRXDYDNUSA-N 0 0 433.459 4.257 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239604 556266079 /nfs/dbraw/zinc/26/60/79/556266079.db2.gz HBSRZBIUEMGPKG-VQTJNVASSA-N 0 0 425.533 4.330 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(OC)c1 ZINC000009242763 556266712 /nfs/dbraw/zinc/26/67/12/556266712.db2.gz CLIUWKMLXBRDMI-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000009261006 556268740 /nfs/dbraw/zinc/26/87/40/556268740.db2.gz LUPVCLLMBUAPOV-OOWUWCJESA-N 0 0 441.505 4.262 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccc(OC)cc1 ZINC000009308050 556277557 /nfs/dbraw/zinc/27/75/57/556277557.db2.gz GAQSTKAIMDSKNF-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)no2)cc1OCC ZINC000013689320 556278703 /nfs/dbraw/zinc/27/87/03/556278703.db2.gz DXXMVJGGPHCTNW-UHFFFAOYSA-N 0 0 440.496 4.129 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccs1 ZINC000013690969 556280448 /nfs/dbraw/zinc/28/04/48/556280448.db2.gz POWCMYCJXVORIT-UHFFFAOYSA-N 0 0 432.567 4.206 50 0 IIAARN CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000009322210 556281116 /nfs/dbraw/zinc/28/11/16/556281116.db2.gz KRJQNFKYVLWTHU-GZTJUZNOSA-N 0 0 445.313 4.339 50 0 IIAARN COc1ccc(OC)c(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)c1 ZINC000013692864 556282584 /nfs/dbraw/zinc/28/25/84/556282584.db2.gz VRTROXSRBKHDKU-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN O=S(=O)(c1nc(-c2cccc(Cl)c2)oc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000013693011 556282659 /nfs/dbraw/zinc/28/26/59/556282659.db2.gz PAAMMPYWPBNUGB-UHFFFAOYSA-N 0 0 446.912 4.199 50 0 IIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@@H](C)CCc3ccco3)cn(C3CC3)c21 ZINC000013722837 556291224 /nfs/dbraw/zinc/29/12/24/556291224.db2.gz RNBSIOIJHXCYDD-ZDUSSCGKSA-N 0 0 430.451 4.310 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 ZINC000013723196 556291548 /nfs/dbraw/zinc/29/15/48/556291548.db2.gz OSLDHFJTHMQDIJ-UHFFFAOYSA-N 0 0 432.586 4.411 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000009484183 556294402 /nfs/dbraw/zinc/29/44/02/556294402.db2.gz ZGTNJQABPSWMFC-FQEVSTJZSA-N 0 0 425.448 4.259 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1Cl ZINC000009525847 556296438 /nfs/dbraw/zinc/29/64/38/556296438.db2.gz RYJDROYIIYRHMY-CQSZACIVSA-N 0 0 435.307 4.145 50 0 IIAARN COc1ccccc1NC(=O)CSCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000009526535 556296990 /nfs/dbraw/zinc/29/69/90/556296990.db2.gz NPHIRKKADOTRTO-UHFFFAOYSA-N 0 0 444.582 4.079 50 0 IIAARN Cc1ccccc1NC(=O)CSCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000009526530 556297006 /nfs/dbraw/zinc/29/70/06/556297006.db2.gz PNHTYLRDPMTABH-UHFFFAOYSA-N 0 0 428.583 4.379 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(Cl)cn4)c(C)c13)CCC(C)(C)O2 ZINC000013735431 556297462 /nfs/dbraw/zinc/29/74/62/556297462.db2.gz GNINITQVRRBWGJ-UHFFFAOYSA-N 0 0 442.899 4.443 50 0 IIAARN CCCCc1ccc(C(=O)N(CC(=O)N(CCOC)Cc2ccc(C)o2)C(C)C)cc1 ZINC000004458811 556300551 /nfs/dbraw/zinc/30/05/51/556300551.db2.gz OBNGAFBFZKNSOB-UHFFFAOYSA-N 0 0 428.573 4.456 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000009698723 556306833 /nfs/dbraw/zinc/30/68/33/556306833.db2.gz XTEFEBIXAWINFM-SFHVURJKSA-N 0 0 443.503 4.248 50 0 IIAARN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccs1)Nc1ccc(F)cc1 ZINC000009906760 556315876 /nfs/dbraw/zinc/31/58/76/556315876.db2.gz NRDGZCMZEZERIJ-LJQANCHMSA-N 0 0 441.459 4.393 50 0 IIAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 ZINC000009925407 556316639 /nfs/dbraw/zinc/31/66/39/556316639.db2.gz KJOBBMHYCXIRGC-GOSISDBHSA-N 0 0 447.329 4.242 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3cccs3)nc2NCc2ccc(F)cc2)cc1 ZINC000013844083 556318410 /nfs/dbraw/zinc/31/84/10/556318410.db2.gz JKXVUKBXOFUMCU-UHFFFAOYSA-N 0 0 428.514 4.303 50 0 IIAARN Cc1ccc(N(CCCC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 ZINC000013847550 556319488 /nfs/dbraw/zinc/31/94/88/556319488.db2.gz SDGHXHBAYSYJBV-UHFFFAOYSA-N 0 0 443.338 4.082 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4C)c3)nn12 ZINC000010010338 556322074 /nfs/dbraw/zinc/32/20/74/556322074.db2.gz UCQCRYXPGMDPSS-UHFFFAOYSA-N 0 0 437.525 4.058 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1C ZINC000032774361 556336632 /nfs/dbraw/zinc/33/66/32/556336632.db2.gz ABUWAQPXLLNDGQ-UHFFFAOYSA-N 0 0 432.473 4.340 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 ZINC000013942549 556340004 /nfs/dbraw/zinc/34/00/04/556340004.db2.gz COVMWPSHPDMQPG-MRXNPFEDSA-N 0 0 436.537 4.272 50 0 IIAARN O=C(CCC1CCN(C(=O)c2cccc3c2C(=O)c2cc(Cl)ccc2-3)CC1)NC1CC1 ZINC000011661036 556342880 /nfs/dbraw/zinc/34/28/80/556342880.db2.gz DXERMMOBEJXFHY-UHFFFAOYSA-N 0 0 436.939 4.462 50 0 IIAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662696 556343995 /nfs/dbraw/zinc/34/39/95/556343995.db2.gz ROKIMKNFDNEECF-MRXNPFEDSA-N 0 0 435.553 4.230 50 0 IIAARN CCCCOCCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000013955642 556344787 /nfs/dbraw/zinc/34/47/87/556344787.db2.gz WNDOLHHDQREYGR-VWLOTQADSA-N 0 0 433.552 4.426 50 0 IIAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@H](OCc4ccccn4)C3)n2)c1 ZINC000011665408 556346104 /nfs/dbraw/zinc/34/61/04/556346104.db2.gz GXRNHCPKVSWXAW-IBGZPJMESA-N 0 0 432.446 4.255 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccc(Cl)c(Cl)c4)c3)c12 ZINC000013960950 556348591 /nfs/dbraw/zinc/34/85/91/556348591.db2.gz DNUGGYSORYQZQI-UHFFFAOYSA-N 0 0 429.311 4.389 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000011754031 556348793 /nfs/dbraw/zinc/34/87/93/556348793.db2.gz WUBRECZRSVXZNB-MRXNPFEDSA-N 0 0 431.483 4.314 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013961562 556349287 /nfs/dbraw/zinc/34/92/87/556349287.db2.gz QSOULIYOXZERCB-UHFFFAOYSA-N 0 0 428.945 4.145 50 0 IIAARN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000011774151 556350593 /nfs/dbraw/zinc/35/05/93/556350593.db2.gz XTUWNWRXCKNIIT-UHFFFAOYSA-N 0 0 436.556 4.345 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)CCCc1cccs1 ZINC000032789174 556350781 /nfs/dbraw/zinc/35/07/81/556350781.db2.gz IPYOVCFCCKZAIG-UHFFFAOYSA-N 0 0 443.594 4.408 50 0 IIAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@H]1CCCN(c2cnccn2)C1 ZINC000032778317 556351505 /nfs/dbraw/zinc/35/15/05/556351505.db2.gz BXESZJRCEPPKCG-INIZCTEOSA-N 0 0 441.329 4.032 50 0 IIAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000011791496 556356044 /nfs/dbraw/zinc/35/60/44/556356044.db2.gz QCXGTLXTADIMAK-UHFFFAOYSA-N 0 0 442.498 4.403 50 0 IIAARN COc1ccc([C@H](C)N(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1 ZINC000011813540 556356784 /nfs/dbraw/zinc/35/67/84/556356784.db2.gz IIKDKXJYVSJEHG-KRWDZBQOSA-N 0 0 432.524 4.497 50 0 IIAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000011816680 556359126 /nfs/dbraw/zinc/35/91/26/556359126.db2.gz TTZRSSFVDDZLHY-HXUWFJFHSA-N 0 0 443.507 4.244 50 0 IIAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000014068694 556359932 /nfs/dbraw/zinc/35/99/32/556359932.db2.gz SVDKTRYNAMKCQO-CTNGQTDRSA-N 0 0 435.524 4.065 50 0 IIAARN COc1cc(CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C2CC2)ccc1OC(F)F ZINC000032808937 556369788 /nfs/dbraw/zinc/36/97/88/556369788.db2.gz YPMOHWFNZQMBAJ-UHFFFAOYSA-N 0 0 446.429 4.130 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cccnc2OC)C1 ZINC000011879578 556371657 /nfs/dbraw/zinc/37/16/57/556371657.db2.gz RKSQTLSSOLJJQY-OAHLLOKOSA-N 0 0 431.920 4.023 50 0 IIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000014123264 556372576 /nfs/dbraw/zinc/37/25/76/556372576.db2.gz ALHABFJNRFTSGM-UHFFFAOYSA-N 0 0 441.563 4.091 50 0 IIAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000014125289 556373205 /nfs/dbraw/zinc/37/32/05/556373205.db2.gz JJKFULUWJBAAPD-UHFFFAOYSA-N 0 0 443.912 4.404 50 0 IIAARN CCn1ccnc1CN(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011933966 556377370 /nfs/dbraw/zinc/37/73/70/556377370.db2.gz SAISQQXRMRWJHR-UHFFFAOYSA-N 0 0 429.524 4.176 50 0 IIAARN O=C(COC(=O)c1ccc(Cn2cccn2)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000014149925 556377473 /nfs/dbraw/zinc/37/74/73/556377473.db2.gz ORHMEPHCKMUGQV-UHFFFAOYSA-N 0 0 449.894 4.318 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC000014166498 556379719 /nfs/dbraw/zinc/37/97/19/556379719.db2.gz MINBBOZOVWQZGE-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1ccc(-c2nc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cs2)cc1 ZINC000014170542 556381272 /nfs/dbraw/zinc/38/12/72/556381272.db2.gz AXPWDNUBDINORT-NRFANRHFSA-N 0 0 425.529 4.061 50 0 IIAARN O=C(CCSc1nnc(-c2ccccc2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014171764 556381826 /nfs/dbraw/zinc/38/18/26/556381826.db2.gz FYJXNLVUTPUGKY-UHFFFAOYSA-N 0 0 426.542 4.013 50 0 IIAARN Cc1ccc(-c2ccc(C(=O)NCc3nnc(SCc4ccccn4)n3C)cc2)cc1 ZINC000011973409 556382942 /nfs/dbraw/zinc/38/29/42/556382942.db2.gz JIJANMKBHNBJND-UHFFFAOYSA-N 0 0 429.549 4.408 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccccc1Br ZINC000014183144 556383079 /nfs/dbraw/zinc/38/30/79/556383079.db2.gz XZBRIUZIWVUUEL-UHFFFAOYSA-N 0 0 436.331 4.098 50 0 IIAARN Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000064565809 556383086 /nfs/dbraw/zinc/38/30/86/556383086.db2.gz MHFYBOMLCJDJCG-UHFFFAOYSA-N 0 0 430.430 4.144 50 0 IIAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000014184295 556384459 /nfs/dbraw/zinc/38/44/59/556384459.db2.gz IAMKXLMTLSXSDZ-QHCPKHFHSA-N 0 0 448.954 4.181 50 0 IIAARN C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000014185163 556385258 /nfs/dbraw/zinc/38/52/58/556385258.db2.gz HZKIRUAIVPSXKK-CCLHPLFOSA-N 0 0 441.531 4.071 50 0 IIAARN Cc1ccc(N2C(=O)N(Cc3nnc(-c4ccccc4Br)o3)C(=O)[C@@H]2C)cc1 ZINC000014188343 556386961 /nfs/dbraw/zinc/38/69/61/556386961.db2.gz ZHDDXELDSWMSMH-ZDUSSCGKSA-N 0 0 441.285 4.165 50 0 IIAARN NC(=O)CCN(C(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(F)cc1 ZINC000014197490 556389022 /nfs/dbraw/zinc/38/90/22/556389022.db2.gz JJDAVQAFJLCACP-UHFFFAOYSA-N 0 0 434.496 4.262 50 0 IIAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccc(O)cc2)n1C[C@H]1CCCO1 ZINC000012039294 556390416 /nfs/dbraw/zinc/39/04/16/556390416.db2.gz JHZWZGKPQMJKJQ-JOCHJYFZSA-N 0 0 438.597 4.395 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000014224000 556393769 /nfs/dbraw/zinc/39/37/69/556393769.db2.gz GOPKTQZPOIRANR-UHFFFAOYSA-N 0 0 430.551 4.159 50 0 IIAARN COC(=O)c1c(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000014242474 556403230 /nfs/dbraw/zinc/40/32/30/556403230.db2.gz ZMVNLLXBSIVCEM-HXUWFJFHSA-N 0 0 426.563 4.403 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000014244952 556404765 /nfs/dbraw/zinc/40/47/65/556404765.db2.gz ANRNNIYUJPVNBB-UHFFFAOYSA-N 0 0 430.552 4.104 50 0 IIAARN COc1cccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000032581144 556404811 /nfs/dbraw/zinc/40/48/11/556404811.db2.gz RFBWZLXOMQEJLZ-QHCPKHFHSA-N 0 0 440.503 4.204 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000032578697 556405526 /nfs/dbraw/zinc/40/55/26/556405526.db2.gz ILSAWUVLWQECRB-UHFFFAOYSA-N 0 0 445.431 4.158 50 0 IIAARN COc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578774 556405575 /nfs/dbraw/zinc/40/55/75/556405575.db2.gz IKASFZVOIQAGLL-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN Cc1cccc(N2CCN(C(=O)COc3ccc(-c4nc(C(C)C)no4)cc3)CC2)c1C ZINC000032579081 556406103 /nfs/dbraw/zinc/40/61/03/556406103.db2.gz YITAISVHNAPSDI-UHFFFAOYSA-N 0 0 434.540 4.204 50 0 IIAARN O=S(=O)(c1cccc2ccccc21)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219260466 556406669 /nfs/dbraw/zinc/40/66/69/556406669.db2.gz XBIHFDPAHIJRNY-NRFANRHFSA-N 0 0 427.547 4.437 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCSc2ccccc21 ZINC000014247047 556406855 /nfs/dbraw/zinc/40/68/55/556406855.db2.gz FNYODDIORHOWIT-UHFFFAOYSA-N 0 0 430.595 4.312 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1cc(=O)c2ccccc2o1 ZINC000032593821 556407506 /nfs/dbraw/zinc/40/75/06/556407506.db2.gz DNEDNFSYJURWEM-UHFFFAOYSA-N 0 0 434.296 4.388 50 0 IIAARN CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CCCCC1 ZINC000014250341 556408507 /nfs/dbraw/zinc/40/85/07/556408507.db2.gz NSKMEHAXAYOGKW-UHFFFAOYSA-N 0 0 445.368 4.235 50 0 IIAARN O=C(Nc1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1)c1ccco1 ZINC000032612608 556408872 /nfs/dbraw/zinc/40/88/72/556408872.db2.gz HOMGUXCOCHAPFG-UHFFFAOYSA-N 0 0 446.503 4.431 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(C)cc3C)n2)cc1 ZINC000032623399 556410455 /nfs/dbraw/zinc/41/04/55/556410455.db2.gz VERNRRITLKRGPT-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN Cc1cc(C)cc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)c1 ZINC000032623660 556410746 /nfs/dbraw/zinc/41/07/46/556410746.db2.gz FHXHNKPNBQGWAB-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000014273640 556411403 /nfs/dbraw/zinc/41/14/03/556411403.db2.gz GSEJRZJERPKRJT-UHFFFAOYSA-N 0 0 447.510 4.171 50 0 IIAARN O=c1c2ccccc2cnn1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022934784 556414964 /nfs/dbraw/zinc/41/49/64/556414964.db2.gz HVJSSESHDLZERS-UHFFFAOYSA-N 0 0 446.501 4.039 50 0 IIAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000032672216 556415000 /nfs/dbraw/zinc/41/50/00/556415000.db2.gz FQOLCKXMFMRQFJ-SFHVURJKSA-N 0 0 438.524 4.001 50 0 IIAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000032674677 556415293 /nfs/dbraw/zinc/41/52/93/556415293.db2.gz ZJGQNKQRQMMLTN-UHFFFAOYSA-N 0 0 438.531 4.266 50 0 IIAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000014377391 556415454 /nfs/dbraw/zinc/41/54/54/556415454.db2.gz LCPRYYUZXSAWOA-UHFFFAOYSA-N 0 0 428.473 4.437 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012940295 556416493 /nfs/dbraw/zinc/41/64/93/556416493.db2.gz BMBZDDJHPQZUTC-HXUWFJFHSA-N 0 0 435.567 4.287 50 0 IIAARN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1=O ZINC000012942050 556417139 /nfs/dbraw/zinc/41/71/39/556417139.db2.gz VRBYNBCUUPVUPJ-IRXDYDNUSA-N 0 0 435.549 4.064 50 0 IIAARN COc1ccc([C@@H]2CCCN2c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c(OC)c1 ZINC000032837537 556418784 /nfs/dbraw/zinc/41/87/84/556418784.db2.gz MSUHGNADGZKFRT-QHCPKHFHSA-N 0 0 447.535 4.066 50 0 IIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc2c(c1)OCO2 ZINC000014484277 556419392 /nfs/dbraw/zinc/41/93/92/556419392.db2.gz PHBGREYASZHLCN-INIZCTEOSA-N 0 0 436.533 4.471 50 0 IIAARN CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012973560 556419751 /nfs/dbraw/zinc/41/97/51/556419751.db2.gz RYNHTAQKEDWEAV-UHFFFAOYSA-N 0 0 437.565 4.220 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012973765 556419870 /nfs/dbraw/zinc/41/98/70/556419870.db2.gz BKQKGPVKZXQATL-QGZVFWFLSA-N 0 0 438.343 4.136 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000012975105 556420903 /nfs/dbraw/zinc/42/09/03/556420903.db2.gz FKCMWSOKUGJSRM-UHFFFAOYSA-N 0 0 431.330 4.092 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCC(=O)c1cccs1 ZINC000012975217 556421070 /nfs/dbraw/zinc/42/10/70/556421070.db2.gz JSYBRCYVKDFBQM-UHFFFAOYSA-N 0 0 434.583 4.223 50 0 IIAARN O=S(=O)(c1ccccc1Br)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012977038 556422150 /nfs/dbraw/zinc/42/21/50/556422150.db2.gz JKDWHJXXLOVHFX-UHFFFAOYSA-N 0 0 438.343 4.311 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C(C)=O)cc1)CC2 ZINC000012978567 556423104 /nfs/dbraw/zinc/42/31/04/556423104.db2.gz DCNZZYSHBPTSHN-MHZLTWQESA-N 0 0 444.531 4.493 50 0 IIAARN O=C([C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1)N1CCCCC1 ZINC000012979756 556423827 /nfs/dbraw/zinc/42/38/27/556423827.db2.gz DBHZQVYOTTZIDZ-FQEVSTJZSA-N 0 0 445.548 4.367 50 0 IIAARN COc1ccc(CN2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)cc1F ZINC000012984117 556426002 /nfs/dbraw/zinc/42/60/02/556426002.db2.gz CKZVFCMCZNZNON-UHFFFAOYSA-N 0 0 434.511 4.225 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCc4ccccc43)CC2)c1 ZINC000032843050 556428155 /nfs/dbraw/zinc/42/81/55/556428155.db2.gz CZFYJHDYBVHTLV-DNQXCXABSA-N 0 0 431.580 4.039 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3ccccc3OC)n(C)c2=S)c1 ZINC000012990378 556428429 /nfs/dbraw/zinc/42/84/29/556428429.db2.gz QQQHEPXQKKTOOC-LJQANCHMSA-N 0 0 440.569 4.438 50 0 IIAARN COc1ccc([C@H](NC(=O)Cc2sc(C)nc2-c2cccs2)c2nccn2C)cc1 ZINC000032843617 556428657 /nfs/dbraw/zinc/42/86/57/556428657.db2.gz USGPOZFALFUMMZ-FQEVSTJZSA-N 0 0 438.578 4.370 50 0 IIAARN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000032845950 556429697 /nfs/dbraw/zinc/42/96/97/556429697.db2.gz IERPGCJFRVLROX-DEOSSOPVSA-N 0 0 448.544 4.044 50 0 IIAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012995402 556430764 /nfs/dbraw/zinc/43/07/64/556430764.db2.gz JGYVRZYDORRSGD-UHFFFAOYSA-N 0 0 446.981 4.215 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1C ZINC000032858220 556434515 /nfs/dbraw/zinc/43/45/15/556434515.db2.gz DLQCFZADDMXIJM-UHFFFAOYSA-N 0 0 440.550 4.468 50 0 IIAARN COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000013030927 556442473 /nfs/dbraw/zinc/44/24/73/556442473.db2.gz OXKIROHXWJQSHJ-FQEVSTJZSA-N 0 0 431.492 4.303 50 0 IIAARN O=C(c1cc2c(cccc2F)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013037761 556443246 /nfs/dbraw/zinc/44/32/46/556443246.db2.gz USYCUVTVQULHBA-CQSZACIVSA-N 0 0 437.496 4.098 50 0 IIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000028141199 556443984 /nfs/dbraw/zinc/44/39/84/556443984.db2.gz KAJGEVURRGTSIJ-UHFFFAOYSA-N 0 0 429.860 4.052 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CCC(=O)NCc2ccccc2F)c2ccccc2)cc1 ZINC000014789558 556445586 /nfs/dbraw/zinc/44/55/86/556445586.db2.gz YRWGFDMUIAEPIL-UHFFFAOYSA-N 0 0 426.513 4.036 50 0 IIAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCc1nnc2ccccn21 ZINC000013040876 556446890 /nfs/dbraw/zinc/44/68/90/556446890.db2.gz UUELHEKOFKZPDE-KRWDZBQOSA-N 0 0 425.842 4.154 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000028268270 556447239 /nfs/dbraw/zinc/44/72/39/556447239.db2.gz FVOAJLOXGXVXTO-UHFFFAOYSA-N 0 0 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50 0 IIAARN Cc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C(F)(F)F)c3ccccc31)OCCCO2 ZINC000015867253 556559309 /nfs/dbraw/zinc/55/93/09/556559309.db2.gz ZBNGRODHAPCWGQ-UHFFFAOYSA-N 0 0 446.425 4.172 50 0 IIAARN O=C(NCCCC1(C2OCCO2)CCCCCC1)Nc1cccc(N2CCOC2=O)c1 ZINC000072306181 556559303 /nfs/dbraw/zinc/55/93/03/556559303.db2.gz KYLTZOFEARCXLH-UHFFFAOYSA-N 0 0 431.533 4.258 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c1 ZINC000015869474 556559973 /nfs/dbraw/zinc/55/99/73/556559973.db2.gz GMZUALSDRHGZQA-UHFFFAOYSA-N 0 0 434.561 4.452 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1 ZINC000015881901 556560631 /nfs/dbraw/zinc/56/06/31/556560631.db2.gz GIIFCAJQGRMCMP-UHFFFAOYSA-N 0 0 431.521 4.300 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-n2cccc2)c1 ZINC000015881977 556560843 /nfs/dbraw/zinc/56/08/43/556560843.db2.gz MPRLCMBVOVPWID-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-n1cccc1 ZINC000015881962 556560893 /nfs/dbraw/zinc/56/08/93/556560893.db2.gz OEMWHJUIYKEMNZ-UHFFFAOYSA-N 0 0 441.463 4.076 50 0 IIAARN CN([C@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1ccc(F)cc1Br ZINC000072307439 556562616 /nfs/dbraw/zinc/56/26/16/556562616.db2.gz XOKOEOMPUASOSU-QGZVFWFLSA-N 0 0 429.355 4.261 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000015906041 556562623 /nfs/dbraw/zinc/56/26/23/556562623.db2.gz INOSUCRFXJJAGG-UHFFFAOYSA-N 0 0 434.439 4.436 50 0 IIAARN COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc(C)cc2)c1 ZINC000015971764 556570066 /nfs/dbraw/zinc/57/00/66/556570066.db2.gz NDCIWTRYPYEFBJ-NVQXNPDNSA-N 0 0 442.471 4.093 50 0 IIAARN C[C@@H](NC(=O)CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)c1ccccc1 ZINC000032961400 556572493 /nfs/dbraw/zinc/57/24/93/556572493.db2.gz NYPYJPJLJXZCBU-QGZVFWFLSA-N 0 0 425.554 4.417 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C ZINC000016003346 556573075 /nfs/dbraw/zinc/57/30/75/556573075.db2.gz CQPSJNJHOZMASN-UHFFFAOYSA-N 0 0 433.507 4.052 50 0 IIAARN COc1ccc(NC(=O)C2(NC(=O)c3ccccc3Br)CCCC2)cc1OC ZINC000072310319 556575731 /nfs/dbraw/zinc/57/57/31/556575731.db2.gz CJEPXKDZUHRUHN-UHFFFAOYSA-N 0 0 447.329 4.148 50 0 IIAARN C[C@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccccc1 ZINC000016023979 556575969 /nfs/dbraw/zinc/57/59/69/556575969.db2.gz JBALTJMJHKMTIP-AWEZNQCLSA-N 0 0 431.945 4.312 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)C1 ZINC000016035601 556577759 /nfs/dbraw/zinc/57/77/59/556577759.db2.gz TZGKMSQFCKBARW-IEGUWTFLSA-N 0 0 426.582 4.161 50 0 IIAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)cc1C ZINC000072310088 556578157 /nfs/dbraw/zinc/57/81/57/556578157.db2.gz FIGZAUFMLBTNKS-UHFFFAOYSA-N 0 0 446.554 4.089 50 0 IIAARN COc1cc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)c(OC)cc1Cl ZINC000071328497 556583479 /nfs/dbraw/zinc/58/34/79/556583479.db2.gz JIFWLBMPUHPQOM-UHFFFAOYSA-N 0 0 437.677 4.214 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000016124644 556584304 /nfs/dbraw/zinc/58/43/04/556584304.db2.gz JWZYMFHHFAWQNF-UHFFFAOYSA-N 0 0 436.942 4.250 50 0 IIAARN CCCCC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C[C@@H]1CCCO1 ZINC000034922292 556586871 /nfs/dbraw/zinc/58/68/71/556586871.db2.gz FZCYUJXXYADETR-SFHVURJKSA-N 0 0 432.517 4.065 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(COc2ccccc2)o1 ZINC000032966604 556587255 /nfs/dbraw/zinc/58/72/55/556587255.db2.gz UFRCZZCRONGIGG-UHFFFAOYSA-N 0 0 428.872 4.231 50 0 IIAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2=O)cc1 ZINC000016217016 556592130 /nfs/dbraw/zinc/59/21/30/556592130.db2.gz UQSOVJZGPYDANM-MRXNPFEDSA-N 0 0 427.932 4.331 50 0 IIAARN N=C1NC(=O)/C(=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)S1 ZINC000016225207 556592251 /nfs/dbraw/zinc/59/22/51/556592251.db2.gz FEHMXDAYPYUNLI-WQRHYEAKSA-N 0 0 444.921 4.400 50 0 aggregator IIAARN COc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccccc2)c(OC)c1 ZINC000036073111 556592284 /nfs/dbraw/zinc/59/22/84/556592284.db2.gz LANVRDXPFCVNFG-UHFFFAOYSA-N 0 0 437.540 4.280 50 0 IIAARN C[C@H]1CCCN(C(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)C1 ZINC000032977820 556600647 /nfs/dbraw/zinc/60/06/47/556600647.db2.gz WDOSFTZAKNPAGJ-HNNXBMFYSA-N 0 0 430.346 4.055 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ccccn3)CC1)CCCCC2 ZINC000016346393 556601430 /nfs/dbraw/zinc/60/14/30/556601430.db2.gz SWQKVXRMOQNUFZ-UHFFFAOYSA-N 0 0 444.626 4.108 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000016362065 556602930 /nfs/dbraw/zinc/60/29/30/556602930.db2.gz GSSSNNPYJXAWHA-UHFFFAOYSA-N 0 0 437.403 4.339 50 0 IIAARN Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3Cl)nn12 ZINC000016363528 556603415 /nfs/dbraw/zinc/60/34/15/556603415.db2.gz OGNAGFIHDJDHAO-UHFFFAOYSA-N 0 0 434.308 4.486 50 0 IIAARN Cc1noc(C)c1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983574 556603501 /nfs/dbraw/zinc/60/35/01/556603501.db2.gz VWXWFGYZWUCFTQ-NHDPSOOVSA-N 0 0 437.883 4.289 50 0 IIAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)NCc1ccc2c(c1)OCO2 ZINC000032985785 556605265 /nfs/dbraw/zinc/60/52/65/556605265.db2.gz DROMRCOSOIUDMJ-UHFFFAOYSA-N 0 0 430.435 4.465 50 0 IIAARN C[C@@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422288 556606307 /nfs/dbraw/zinc/60/63/07/556606307.db2.gz HRXNSDYAINCZOI-OAHLLOKOSA-N 0 0 440.897 4.143 50 0 IIAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000032986745 556606472 /nfs/dbraw/zinc/60/64/72/556606472.db2.gz BBMGWGANBGWKCH-UHFFFAOYSA-N 0 0 436.483 4.419 50 0 IIAARN O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccsc32)CC1 ZINC000071890494 556608503 /nfs/dbraw/zinc/60/85/03/556608503.db2.gz AYDLUPMFGCYBTA-HXUWFJFHSA-N 0 0 428.602 4.106 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000016448514 556608742 /nfs/dbraw/zinc/60/87/42/556608742.db2.gz VLDLJHHIPKGDPH-UHFFFAOYSA-N 0 0 431.901 4.221 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013494977 556609167 /nfs/dbraw/zinc/60/91/67/556609167.db2.gz QJVPAZXXZGHASD-AWEZNQCLSA-N 0 0 442.541 4.032 50 0 IIAARN CSc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000032995323 556610409 /nfs/dbraw/zinc/61/04/09/556610409.db2.gz LPFUJBBASXFPRZ-UHFFFAOYSA-N 0 0 426.567 4.151 50 0 IIAARN CSCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000016477904 556611003 /nfs/dbraw/zinc/61/10/03/556611003.db2.gz MWJIPYUFAZEPEC-AWEZNQCLSA-N 0 0 425.341 4.026 50 0 IIAARN Cc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(C)c(Cl)c4)cc3=O)s2)cc1 ZINC000032996009 556611629 /nfs/dbraw/zinc/61/16/29/556611629.db2.gz BZPOQRXEDMIAFR-UHFFFAOYSA-N 0 0 439.928 4.410 50 0 IIAARN COc1ccccc1-n1ncc2c1nc(SCc1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC000010613530 556619009 /nfs/dbraw/zinc/61/90/09/556619009.db2.gz CTFNJNBNEDTYGZ-UHFFFAOYSA-N 0 0 432.427 4.429 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3Cl)n2)ccc1C ZINC000016651481 556620609 /nfs/dbraw/zinc/62/06/09/556620609.db2.gz XVYSWUKADLUOMD-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccn4)cc3)n2)cc1 ZINC000032998968 556626956 /nfs/dbraw/zinc/62/69/56/556626956.db2.gz MVOCNTZFWOUDHO-UHFFFAOYSA-N 0 0 428.517 4.017 50 0 IIAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccco4)cc3)n2)cc1 ZINC000032999075 556626960 /nfs/dbraw/zinc/62/69/60/556626960.db2.gz QULIKPVYLUDYER-UHFFFAOYSA-N 0 0 431.517 4.258 50 0 IIAARN O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2nc(-c3ccco3)nn12 ZINC000016736144 556633254 /nfs/dbraw/zinc/63/32/54/556633254.db2.gz BRBQIPVNNGLJQT-YBEGLDIGSA-N 0 0 429.379 4.238 50 0 IIAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040288494 556634633 /nfs/dbraw/zinc/63/46/33/556634633.db2.gz ZNLSSYXXRSTUGW-RPWUZVMVSA-N 0 0 439.471 4.446 50 0 IIAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)nc1C ZINC000016742082 556636091 /nfs/dbraw/zinc/63/60/91/556636091.db2.gz JUTKBWGHHMFKOX-GOSISDBHSA-N 0 0 432.457 4.216 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016753928 556638613 /nfs/dbraw/zinc/63/86/13/556638613.db2.gz MSHJMQYPGLCNFM-QGZVFWFLSA-N 0 0 435.904 4.363 50 0 IIAARN COc1ccc(Cn2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1OC ZINC000040397261 556639524 /nfs/dbraw/zinc/63/95/24/556639524.db2.gz SSKVXGFAMMBREB-UHFFFAOYSA-N 0 0 446.894 4.430 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CC2(n3cccc3)CCOCC2)nc1-c1ccccc1 ZINC000409413168 556640428 /nfs/dbraw/zinc/64/04/28/556640428.db2.gz DZPWKZSMKGERSS-UHFFFAOYSA-N 0 0 439.537 4.323 50 0 IIAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccc(F)cc4)c3n2)cc1 ZINC000040484439 556643792 /nfs/dbraw/zinc/64/37/92/556643792.db2.gz QSFIXGCDAWMUCG-UHFFFAOYSA-N 0 0 442.450 4.103 50 0 IIAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 ZINC000037556093 556645010 /nfs/dbraw/zinc/64/50/10/556645010.db2.gz KGGHLOYNNNTSIK-RUZDIDTESA-N 0 0 428.532 4.371 50 0 IIAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)N2CCOCC2)cc1 ZINC000037557010 556645257 /nfs/dbraw/zinc/64/52/57/556645257.db2.gz FYUZUVKNJPIHTC-UHFFFAOYSA-N 0 0 428.532 4.243 50 0 IIAARN COc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000037579996 556645849 /nfs/dbraw/zinc/64/58/49/556645849.db2.gz BIFYIDKYXGAZEI-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN CSc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c1 ZINC000016841338 556646114 /nfs/dbraw/zinc/64/61/14/556646114.db2.gz JEKBKGYCKSXBSP-UHFFFAOYSA-N 0 0 436.562 4.381 50 0 IIAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nccn2n1 ZINC000016842072 556646368 /nfs/dbraw/zinc/64/63/68/556646368.db2.gz HNEHXXWRXABRNF-UHFFFAOYSA-N 0 0 432.505 4.338 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n(C)c(=O)c2S1 ZINC000011726489 556647118 /nfs/dbraw/zinc/64/71/18/556647118.db2.gz IOCRNKKPDXRCGY-QMMMGPOBSA-N 0 0 449.907 4.220 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)S2 ZINC000011726495 556647121 /nfs/dbraw/zinc/64/71/21/556647121.db2.gz RKGIQYNCPCMPKR-JTQLQIEISA-N 0 0 429.489 4.050 50 0 IIAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1ccccc1F ZINC000016903428 556648791 /nfs/dbraw/zinc/64/87/91/556648791.db2.gz JJCSDZHDULTJIN-MOPGFXCFSA-N 0 0 445.494 4.136 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000016957246 556650663 /nfs/dbraw/zinc/65/06/63/556650663.db2.gz AHMNRMXTZVXPRE-QHCPKHFHSA-N 0 0 443.503 4.370 50 0 IIAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(OC)cc2)cc1 ZINC000011758657 556653432 /nfs/dbraw/zinc/65/34/32/556653432.db2.gz VPQLGDKWTQMAKF-UHFFFAOYSA-N 0 0 448.552 4.293 50 0 IIAARN Cc1cccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000038654155 556653856 /nfs/dbraw/zinc/65/38/56/556653856.db2.gz SYSDFGOOHASTGV-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000011765554 556654436 /nfs/dbraw/zinc/65/44/36/556654436.db2.gz DEYANMWXTJJDOT-HSZRJFAPSA-N 0 0 443.613 4.235 50 0 IIAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(OC)cc3OC)cs2)c1C ZINC000033004527 556654522 /nfs/dbraw/zinc/65/45/22/556654522.db2.gz GMLYGRIGNKPGIS-UHFFFAOYSA-N 0 0 428.558 4.487 50 0 IIAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2COCc2ccccc2)c1 ZINC000032925797 556654937 /nfs/dbraw/zinc/65/49/37/556654937.db2.gz WWTLJYFSUWAERC-UHFFFAOYSA-N 0 0 443.952 4.390 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(C(=O)OC)c3)cc2OC)s1 ZINC000033008482 556655937 /nfs/dbraw/zinc/65/59/37/556655937.db2.gz DVARWCGAZJUFND-UHFFFAOYSA-N 0 0 428.470 4.084 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(Cl)cc3)cc2OC)s1 ZINC000033007876 556656793 /nfs/dbraw/zinc/65/67/93/556656793.db2.gz TYXIDXPXTZWBSW-UHFFFAOYSA-N 0 0 425.919 4.108 50 0 IIAARN O=C(CCn1cnc2sccc2c1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000011809044 556657870 /nfs/dbraw/zinc/65/78/70/556657870.db2.gz ZCSSEBSDTVOIHM-UHFFFAOYSA-N 0 0 436.562 4.489 50 0 IIAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NC5CCCCCC5)CC4)nn32)c1 ZINC000033010140 556657835 /nfs/dbraw/zinc/65/78/35/556657835.db2.gz MBPGDVXIFOUTHR-UHFFFAOYSA-N 0 0 432.572 4.155 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2ncn(Cc3ccccc3Cl)n2)ccc1OC(C)C ZINC000017095181 556658583 /nfs/dbraw/zinc/65/85/83/556658583.db2.gz OTJYXWONPCLZKX-PKNBQFBNSA-N 0 0 426.904 4.428 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000011835158 556659641 /nfs/dbraw/zinc/65/96/41/556659641.db2.gz XSDLVMOJISCNCY-UHFFFAOYSA-N 0 0 426.473 4.064 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000011854410 556661780 /nfs/dbraw/zinc/66/17/80/556661780.db2.gz LTXWWTANGXSGKV-UHFFFAOYSA-N 0 0 445.426 4.264 50 0 IIAARN CCSc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000011854489 556661794 /nfs/dbraw/zinc/66/17/94/556661794.db2.gz ZZCYIOXKOGKONR-UHFFFAOYSA-N 0 0 437.550 4.357 50 0 IIAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NCc1cccnc1 ZINC000033013297 556662921 /nfs/dbraw/zinc/66/29/21/556662921.db2.gz KNFUPSVXKBTINE-UHFFFAOYSA-N 0 0 444.491 4.201 50 0 IIAARN CC(C)Cn1c2ccccc2nc1SCC(=O)OCC(=O)NCc1ccc(Cl)cc1 ZINC000033013920 556664069 /nfs/dbraw/zinc/66/40/69/556664069.db2.gz HTJGWTDQDSZHCW-UHFFFAOYSA-N 0 0 445.972 4.297 50 0 IIAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4c5ccccc5C=CN4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000043726417 556664644 /nfs/dbraw/zinc/66/46/44/556664644.db2.gz INYHTINQBXLMFU-WZYRSQIMSA-N 0 0 442.515 4.020 50 0 IIAARN CN(c1ccsc1C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000044170382 556666548 /nfs/dbraw/zinc/66/65/48/556666548.db2.gz HQEXZZNIGNVHOP-UHFFFAOYSA-N 0 0 438.933 4.296 50 0 IIAARN CC(C)CCNC(=O)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017113129 556668044 /nfs/dbraw/zinc/66/80/44/556668044.db2.gz RXLONKJCLIUWFX-UHFFFAOYSA-N 0 0 432.499 4.102 50 0 IIAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)NCCc1ccccc1 ZINC000017178916 556671746 /nfs/dbraw/zinc/67/17/46/556671746.db2.gz CXNIFHPOJFTWOA-UHFFFAOYSA-N 0 0 444.560 4.178 50 0 IIAARN COc1cc2nc(C(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC ZINC000011906953 556671854 /nfs/dbraw/zinc/67/18/54/556671854.db2.gz QBLHGTZJAHUDRO-UHFFFAOYSA-N 0 0 434.418 4.246 50 0 IIAARN Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2 ZINC000011913759 556672488 /nfs/dbraw/zinc/67/24/88/556672488.db2.gz BZPKLELTPRRRFK-UHFFFAOYSA-N 0 0 426.567 4.012 50 0 IIAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000011984219 556678373 /nfs/dbraw/zinc/67/83/73/556678373.db2.gz SZBNOMNIRFVGMY-UHFFFAOYSA-N 0 0 448.488 4.116 50 0 IIAARN Cc1nn(-c2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2)c(C)c1Cl ZINC000024141882 556685212 /nfs/dbraw/zinc/68/52/12/556685212.db2.gz LWRSCTVBGZUZDP-UHFFFAOYSA-N 0 0 442.991 4.397 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)C1 ZINC000010640654 556686828 /nfs/dbraw/zinc/68/68/28/556686828.db2.gz PHTHBMSDHOJEDS-INIZCTEOSA-N 0 0 429.517 4.009 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000072312723 556687968 /nfs/dbraw/zinc/68/79/68/556687968.db2.gz YRPTUTBRFQKRJQ-UHFFFAOYSA-N 0 0 437.565 4.453 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1OC ZINC000072313123 556688233 /nfs/dbraw/zinc/68/82/33/556688233.db2.gz OCYGZUFUQMBLIS-LJQANCHMSA-N 0 0 429.542 4.160 50 0 IIAARN CN(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000072313012 556688407 /nfs/dbraw/zinc/68/84/07/556688407.db2.gz GLDIUOQAOAFLJB-UHFFFAOYSA-N 0 0 445.976 4.114 50 0 IIAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000018272231 556688989 /nfs/dbraw/zinc/68/89/89/556688989.db2.gz USQFJJVIOVIYNH-SIQOOTDXSA-N 0 0 437.495 4.357 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000046023786 556691168 /nfs/dbraw/zinc/69/11/68/556691168.db2.gz LZJGMDIJSUTJEU-UHFFFAOYSA-N 0 0 433.899 4.445 50 0 IIAARN O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010644018 556691520 /nfs/dbraw/zinc/69/15/20/556691520.db2.gz ZCFFERCXUGOJTA-PZJWPPBQSA-N 0 0 436.943 4.016 50 0 IIAARN O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 ZINC000000763024 556692555 /nfs/dbraw/zinc/69/25/55/556692555.db2.gz MVSGLGHALLSFQP-HNNXBMFYSA-N 0 0 435.126 4.216 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCCc1cccs1 ZINC000046141426 556692943 /nfs/dbraw/zinc/69/29/43/556692943.db2.gz MEKYZAIJCMMYJU-UHFFFAOYSA-N 0 0 449.554 4.495 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N[C@H](C)CCc4ccccc4)ccc32)cc1 ZINC000013583340 556699719 /nfs/dbraw/zinc/69/97/19/556699719.db2.gz IMXNDILRQZMLCJ-HXUWFJFHSA-N 0 0 448.588 4.498 50 0 IIAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000060334641 556706524 /nfs/dbraw/zinc/70/65/24/556706524.db2.gz ONMZWYUHVBXCKD-YSGRDPCXSA-N 0 0 430.342 4.391 50 0 IIAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000019145279 556706876 /nfs/dbraw/zinc/70/68/76/556706876.db2.gz IJWOOAPFCSHPMB-DEOSSOPVSA-N 0 0 436.581 4.002 50 0 IIAARN CCCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027711 556707049 /nfs/dbraw/zinc/70/70/49/556707049.db2.gz KWLSTMRRVUYBSB-UHFFFAOYSA-N 0 0 428.489 4.038 50 0 IIAARN O=S(=O)(Cc1ccc(Br)cc1F)N[C@H]1CCSc2ccc(F)cc21 ZINC000072318875 556709236 /nfs/dbraw/zinc/70/92/36/556709236.db2.gz XHXRNQQCKUUQCD-HNNXBMFYSA-N 0 0 434.327 4.384 50 0 IIAARN COc1ccc(-c2nnc(S[C@H]3CCCCNC3=O)n2C2CCCCC2)cc1OC ZINC000011122632 556710132 /nfs/dbraw/zinc/71/01/32/556710132.db2.gz UYZDDTAZQLGQIX-IBGZPJMESA-N 0 0 430.574 4.228 50 0 IIAARN CCN(c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1)C(C)C ZINC000005200391 556724442 /nfs/dbraw/zinc/72/44/42/556724442.db2.gz BEJVDTLDWUUBBJ-UHFFFAOYSA-N 0 0 429.586 4.348 50 0 IIAARN CC(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000072328324 556725225 /nfs/dbraw/zinc/72/52/25/556725225.db2.gz GTGGMNKZWMBOAO-UHFFFAOYSA-N 0 0 434.989 4.181 50 0 IIAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccn2)CC1)N1CCCCC1 ZINC000072328402 556725511 /nfs/dbraw/zinc/72/55/11/556725511.db2.gz AJOHCPPKXMPPEA-UHFFFAOYSA-N 0 0 435.959 4.236 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(C4CCC4)s3)c3ccccc3C(=O)N2C)cc1 ZINC000061720864 556727481 /nfs/dbraw/zinc/72/74/81/556727481.db2.gz VHHVYHPRQBNETH-WOJBJXKFSA-N 0 0 448.548 4.363 50 0 IIAARN COc1ccc(S[C@H](C)C(=O)Nc2c(=O)n(-c3ccccc3)n(C)c2C(C)C)cc1 ZINC000078624037 556734997 /nfs/dbraw/zinc/73/49/97/556734997.db2.gz JSGDFJQCMMTCRS-MRXNPFEDSA-N 0 0 425.554 4.427 50 0 IIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C(F)(F)F)n2C)c1 ZINC000019316907 556735942 /nfs/dbraw/zinc/73/59/42/556735942.db2.gz KDBIOVYKLIOFNT-UHFFFAOYSA-N 0 0 449.458 4.125 50 0 IIAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(-n2cncn2)c(F)c1)OCCO3 ZINC000078878037 556736015 /nfs/dbraw/zinc/73/60/15/556736015.db2.gz UKABAQCKYFOYPV-MRXNPFEDSA-N 0 0 448.498 4.206 50 0 IIAARN O=C(COc1ccc(Br)cc1F)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000057991938 556750880 /nfs/dbraw/zinc/75/08/80/556750880.db2.gz VQTGPUYBHZQKMC-QGZVFWFLSA-N 0 0 434.265 4.334 50 0 IIAARN Cc1ccc(N2CN=C3S[C@H](CC(=O)Nc4cccc(Cl)c4)C(=O)N3C2)cc1C ZINC000072332978 556751358 /nfs/dbraw/zinc/75/13/58/556751358.db2.gz BADZNUDSZYGWLX-GOSISDBHSA-N 0 0 428.945 4.021 50 0 IIAARN COc1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1NC(=O)c1cccc(F)c1 ZINC000058158836 556763547 /nfs/dbraw/zinc/76/35/47/556763547.db2.gz UPYGSIKKIKZZTG-TZIWHRDSSA-N 0 0 427.476 4.262 50 0 IIAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1Br ZINC000058162055 556765690 /nfs/dbraw/zinc/76/56/90/556765690.db2.gz HKAAIWWQQRVALT-UHFFFAOYSA-N 0 0 445.302 4.010 50 0 IIAARN O=C(Nc1nc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)co1)c1ccccc1 ZINC000062023010 556766622 /nfs/dbraw/zinc/76/66/22/556766622.db2.gz BECYSNJSLURMOV-UHFFFAOYSA-N 0 0 445.306 4.196 50 0 IIAARN COc1ccccc1OS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000058180194 556770313 /nfs/dbraw/zinc/77/03/13/556770313.db2.gz ANMDBPZFPOPAHK-UHFFFAOYSA-N 0 0 426.313 4.349 50 0 IIAARN COc1ccc(C[C@@H](NC(=O)N[C@@H](C)c2nnc3ccccn32)c2ccc(OC)cc2)cc1 ZINC000058209324 556771907 /nfs/dbraw/zinc/77/19/07/556771907.db2.gz QPQREKWDYJUIPH-HTAPYJJXSA-N 0 0 445.523 4.091 50 0 IIAARN COc1ccc(C[C@@H](NC(=O)N[C@H](C)c2nnc3ccccn32)c2ccc(OC)cc2)cc1 ZINC000058209325 556771965 /nfs/dbraw/zinc/77/19/65/556771965.db2.gz QPQREKWDYJUIPH-VGOFRKELSA-N 0 0 445.523 4.091 50 0 IIAARN O=C(Nc1ncn(Cc2ccccn2)n1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000058245344 556774996 /nfs/dbraw/zinc/77/49/96/556774996.db2.gz KAWUGLKCSDELBQ-UHFFFAOYSA-N 0 0 447.930 4.082 50 0 IIAARN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000058246422 556775206 /nfs/dbraw/zinc/77/52/06/556775206.db2.gz MCDPNPPQMRDJNF-MSOLQXFVSA-N 0 0 444.963 4.135 50 0 IIAARN Cc1nnnn1-c1cc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)ccc1C ZINC000058268660 556776899 /nfs/dbraw/zinc/77/68/99/556776899.db2.gz FJZIIVDESYRLKO-UHFFFAOYSA-N 0 0 433.493 4.031 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000058315674 556780355 /nfs/dbraw/zinc/78/03/55/556780355.db2.gz SZOZVHXSLCCRHV-HTAPYJJXSA-N 0 0 436.581 4.099 50 0 IIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C2=O ZINC000058365622 556783094 /nfs/dbraw/zinc/78/30/94/556783094.db2.gz XOLAMQARNPYPFO-WNHYQHMGSA-N 0 0 431.964 4.044 50 0 IIAARN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)Oc3ccc(C4SCCS4)cc3)cc2)C1 ZINC000058381835 556784562 /nfs/dbraw/zinc/78/45/62/556784562.db2.gz FZLGXHDAQYRTMW-QGZVFWFLSA-N 0 0 428.579 4.086 50 0 IIAARN Cc1ccc(-c2noc([C@@H](C)S(=O)(=O)Cc3nc4ccccc4nc3C)n2)cc1F ZINC000058407194 556786214 /nfs/dbraw/zinc/78/62/14/556786214.db2.gz IUBSMJOJMWESAN-CQSZACIVSA-N 0 0 426.473 4.112 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000058415397 556786642 /nfs/dbraw/zinc/78/66/42/556786642.db2.gz URDBEPKHAXDNBI-UHFFFAOYSA-N 0 0 445.491 4.390 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000058419140 556787493 /nfs/dbraw/zinc/78/74/93/556787493.db2.gz NONFDJQNEHQTKE-NRFANRHFSA-N 0 0 425.554 4.123 50 0 IIAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000058425020 556787817 /nfs/dbraw/zinc/78/78/17/556787817.db2.gz DFLFDGUBOGMLNA-MRXNPFEDSA-N 0 0 448.331 4.397 50 0 IIAARN Cc1cc(=O)oc2cc(NC(=O)N[C@@H](C)[C@H](O)c3ccc(Br)cc3)ccc12 ZINC000058440607 556789013 /nfs/dbraw/zinc/78/90/13/556789013.db2.gz 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COC(=O)c1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000003302085 556811468 /nfs/dbraw/zinc/81/14/68/556811468.db2.gz LQMCTWBJGUEUHK-UHFFFAOYSA-N 0 0 432.476 4.086 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000003356236 556811621 /nfs/dbraw/zinc/81/16/21/556811621.db2.gz LTYFIWVLYGWIHM-JOCHJYFZSA-N 0 0 437.584 4.110 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1N ZINC000003368218 556812053 /nfs/dbraw/zinc/81/20/53/556812053.db2.gz DBCLEJNUAXBKLS-UHFFFAOYSA-N 0 0 431.521 4.065 50 0 IIAARN O=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl ZINC000003340168 556813082 /nfs/dbraw/zinc/81/30/82/556813082.db2.gz IXBACNWYYLDAOP-UHFFFAOYSA-N 0 0 433.085 4.317 50 0 IIAARN CCOC(=O)c1cc(OC(=O)/C=C/c2ccc(OC(F)F)cc2)cc(C(=O)OCC)c1 ZINC000003354100 556813757 /nfs/dbraw/zinc/81/37/57/556813757.db2.gz GWOCIZUALCZKAG-JXMROGBWSA-N 0 0 434.391 4.260 50 0 IIAARN Cc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c(Br)c1 ZINC000097943921 556814904 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IIAARN Cc1cc2occ(CC(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)c2cc1C(C)C ZINC000023011369 557057350 /nfs/dbraw/zinc/05/73/50/557057350.db2.gz QHLHOCCVRFZHDF-UHFFFAOYSA-N 0 0 449.551 4.317 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccccc2OC)cc1 ZINC000032948711 557057384 /nfs/dbraw/zinc/05/73/84/557057384.db2.gz KTEHOQQKVKHLQK-IBGZPJMESA-N 0 0 434.492 4.408 50 0 IIAARN CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000033276951 557057946 /nfs/dbraw/zinc/05/79/46/557057946.db2.gz FUTNWTAWXWYMQR-FQEVSTJZSA-N 0 0 439.899 4.193 50 0 IIAARN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Br)c1OC ZINC000019877794 557059038 /nfs/dbraw/zinc/05/90/38/557059038.db2.gz CXTAXDCNJNISNV-INIZCTEOSA-N 0 0 436.346 4.255 50 0 IIAARN COc1cc(OC)cc([C@@H]2[C@@H](Oc3ccc(F)c(Cl)c3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000048308559 557059604 /nfs/dbraw/zinc/05/96/04/557059604.db2.gz XPLOMJYWDYCODW-IWMITWMQSA-N 0 0 435.879 4.006 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(Sc2nc3ccccc3n3nnnc23)cc1 ZINC000033277822 557059914 /nfs/dbraw/zinc/05/99/14/557059914.db2.gz KIKVRJVYZACNRD-UHFFFAOYSA-N 0 0 428.477 4.085 50 0 IIAARN CCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000033277867 557059926 /nfs/dbraw/zinc/05/99/26/557059926.db2.gz YFQPGTFJICWVBN-UHFFFAOYSA-N 0 0 441.919 4.236 50 0 IIAARN O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023054945 557060452 /nfs/dbraw/zinc/06/04/52/557060452.db2.gz KHRMAYNUNFORML-QHCPKHFHSA-N 0 0 440.490 4.347 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000023080978 557062731 /nfs/dbraw/zinc/06/27/31/557062731.db2.gz PAZRSUSNOBCBAE-GOSISDBHSA-N 0 0 430.551 4.389 50 0 IIAARN COC(=O)c1ccc(C)cc1NC(=O)N[C@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949110 557063871 /nfs/dbraw/zinc/06/38/71/557063871.db2.gz PSYAMXYHVQSFNH-HXUWFJFHSA-N 0 0 446.503 4.486 50 0 IIAARN CCCOc1ccccc1NC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 ZINC000048314786 557064802 /nfs/dbraw/zinc/06/48/02/557064802.db2.gz RDUNIRKLFWZUDF-UHFFFAOYSA-N 0 0 433.574 4.206 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048325003 557065962 /nfs/dbraw/zinc/06/59/62/557065962.db2.gz BZIITUQSUUKEQH-RTBURBONSA-N 0 0 435.549 4.360 50 0 IIAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000010882167 557067625 /nfs/dbraw/zinc/06/76/25/557067625.db2.gz PMIHKKJZVLCOBO-UHFFFAOYSA-N 0 0 442.759 4.373 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)Nc2cc(Cl)ccc2C)c1N ZINC000033291597 557069700 /nfs/dbraw/zinc/06/97/00/557069700.db2.gz NOWPEYLLGAGZEG-UHFFFAOYSA-N 0 0 436.903 4.395 50 0 IIAARN CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000048340181 557070589 /nfs/dbraw/zinc/07/05/89/557070589.db2.gz BOOCJNIQSKEBEL-AWEZNQCLSA-N 0 0 444.881 4.445 50 0 IIAARN CCn1c(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nnc1-c1cccs1 ZINC000023160600 557070594 /nfs/dbraw/zinc/07/05/94/557070594.db2.gz OAODYLOLXWAPSQ-HNNXBMFYSA-N 0 0 438.582 4.182 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)Cc4ccc(C)cc4)C3)n2)c1 ZINC000033289876 557071609 /nfs/dbraw/zinc/07/16/09/557071609.db2.gz LEMSWDKHQRUSCP-FQEVSTJZSA-N 0 0 432.524 4.342 50 0 IIAARN O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC000023186592 557071885 /nfs/dbraw/zinc/07/18/85/557071885.db2.gz KADJURDAQQACEW-GOSISDBHSA-N 0 0 425.273 4.129 50 0 IIAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCCN3CCCCCC3)c2)n1 ZINC000033297842 557073687 /nfs/dbraw/zinc/07/36/87/557073687.db2.gz DATQCIGUMCADFW-UHFFFAOYSA-N 0 0 427.661 4.323 50 0 IIAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033299040 557075342 /nfs/dbraw/zinc/07/53/42/557075342.db2.gz RTHSIBAAPFBOOU-UHFFFAOYSA-N 0 0 448.950 4.073 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCCC(=O)NC1CCCCC1 ZINC000048375096 557076373 /nfs/dbraw/zinc/07/63/73/557076373.db2.gz RGJPAVYITXPKLQ-UHFFFAOYSA-N 0 0 433.556 4.248 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 ZINC000033293185 557076390 /nfs/dbraw/zinc/07/63/90/557076390.db2.gz AMGPBDXCWIGHHX-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN O=C(c1ccc2c(c1)CCC(=O)N2Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033300495 557079488 /nfs/dbraw/zinc/07/94/88/557079488.db2.gz AQCDEWQNVAGJFG-UHFFFAOYSA-N 0 0 443.522 4.268 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(N(C)Cc1ccccc1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033300583 557082379 /nfs/dbraw/zinc/08/23/79/557082379.db2.gz BBFJKWAGKRAHRV-UHFFFAOYSA-N 0 0 427.504 4.426 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000023295570 557082845 /nfs/dbraw/zinc/08/28/45/557082845.db2.gz KJWSTYROOSCASY-UHFFFAOYSA-N 0 0 435.446 4.116 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 ZINC000033301460 557083407 /nfs/dbraw/zinc/08/34/07/557083407.db2.gz QTAOCBVAYZGXBU-UHFFFAOYSA-N 0 0 441.944 4.431 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cn(CC(=O)NC3CCCCC3)c2n1 ZINC000049002133 557083453 /nfs/dbraw/zinc/08/34/53/557083453.db2.gz XIIBVTNMENNEGF-UHFFFAOYSA-N 0 0 446.551 4.023 50 0 IIAARN O=C(Nc1cccc(F)c1)C1CCN(c2nc3ccsc3c(=O)n2-c2ccccc2)CC1 ZINC000033302182 557083545 /nfs/dbraw/zinc/08/35/45/557083545.db2.gz JZMBORIHMNSFDT-UHFFFAOYSA-N 0 0 448.523 4.441 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccc(C)cc2)s1 ZINC000033306514 557085438 /nfs/dbraw/zinc/08/54/38/557085438.db2.gz BFTLHGYLYVAGLS-PKNBQFBNSA-N 0 0 445.566 4.350 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000023357397 557086981 /nfs/dbraw/zinc/08/69/81/557086981.db2.gz CPBMPSAOQLKJGI-MRXNPFEDSA-N 0 0 436.419 4.272 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382250 557089534 /nfs/dbraw/zinc/08/95/34/557089534.db2.gz PARDREORWNDVNY-OXJNMPFZSA-N 0 0 438.915 4.094 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382288 557089542 /nfs/dbraw/zinc/08/95/42/557089542.db2.gz PWLNDPWHOUZPKF-FOIQADDNSA-N 0 0 438.915 4.094 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382231 557089701 /nfs/dbraw/zinc/08/97/01/557089701.db2.gz SWQXAVPISJUWDA-JXFKEZNVSA-N 0 0 438.915 4.094 50 0 IIAARN Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1Cl ZINC000049002453 557090106 /nfs/dbraw/zinc/09/01/06/557090106.db2.gz QDLXNGBBWVJGKM-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccs1)N(C)C2=O ZINC000004759759 557090127 /nfs/dbraw/zinc/09/01/27/557090127.db2.gz ZDHAFWUKKBUHQT-NHCUHLMSSA-N 0 0 437.521 4.018 50 0 IIAARN Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023411338 557091251 /nfs/dbraw/zinc/09/12/51/557091251.db2.gz ZJVQRXMFMYMCCC-QFIPXVFZSA-N 0 0 425.492 4.165 50 0 IIAARN Cc1ccccc1-n1nnc(C(=O)NCc2ccc(Br)cc2)c1-c1ccncc1 ZINC000049003488 557091423 /nfs/dbraw/zinc/09/14/23/557091423.db2.gz HJZMPULBJYQHJB-UHFFFAOYSA-N 0 0 448.324 4.330 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1N ZINC000049004400 557092577 /nfs/dbraw/zinc/09/25/77/557092577.db2.gz GUPMQWUCZIUXAN-UHFFFAOYSA-N 0 0 443.294 4.431 50 0 IIAARN COc1ccc(CC(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1Cl ZINC000033310307 557093962 /nfs/dbraw/zinc/09/39/62/557093962.db2.gz ZOUUECXLXBPPNU-UHFFFAOYSA-N 0 0 425.916 4.422 50 0 IIAARN Cc1ccc(CC(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)cc1 ZINC000033311062 557094632 /nfs/dbraw/zinc/09/46/32/557094632.db2.gz LWUHACHXCAXSFA-QHCPKHFHSA-N 0 0 434.580 4.481 50 0 IIAARN O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN2C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000033310692 557094687 /nfs/dbraw/zinc/09/46/87/557094687.db2.gz CVWLTTPGRZEBAO-KRWDZBQOSA-N 0 0 432.442 4.281 50 0 IIAARN Cc1ccccc1CC(=O)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311212 557094900 /nfs/dbraw/zinc/09/49/00/557094900.db2.gz IBXFRZZVBIOTIJ-QFIPXVFZSA-N 0 0 434.580 4.481 50 0 IIAARN O=C(Cc1cccc(F)c1)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311112 557095006 /nfs/dbraw/zinc/09/50/06/557095006.db2.gz SRBIYFNPKQMEPJ-NRFANRHFSA-N 0 0 438.543 4.312 50 0 IIAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c1)N1CCCC1 ZINC000033311520 557095465 /nfs/dbraw/zinc/09/54/65/557095465.db2.gz QRYKLQZUQVJVHL-KRWDZBQOSA-N 0 0 428.479 4.132 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCc3ccccc3C2)n1 ZINC000049399703 557095659 /nfs/dbraw/zinc/09/56/59/557095659.db2.gz GOPPNCSWNGSLTN-UHFFFAOYSA-N 0 0 440.956 4.432 50 0 IIAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OCC ZINC000023532815 557095752 /nfs/dbraw/zinc/09/57/52/557095752.db2.gz GCTCMKWNKPWMDT-OAHLLOKOSA-N 0 0 430.570 4.381 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000049400970 557096716 /nfs/dbraw/zinc/09/67/16/557096716.db2.gz AGKUHDMNIDVMGQ-UHFFFAOYSA-N 0 0 442.519 4.396 50 0 IIAARN CC1CCN(C(=O)[C@@H]2c3ccccc3CCN2CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000033312872 557097622 /nfs/dbraw/zinc/09/76/22/557097622.db2.gz YEWJNSBOKCJDLR-QHCPKHFHSA-N 0 0 443.950 4.276 50 0 IIAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)ccc1Br ZINC000010916673 557099134 /nfs/dbraw/zinc/09/91/34/557099134.db2.gz DFLWTMVYXKEYBT-UHFFFAOYSA-N 0 0 425.348 4.039 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(Cl)c3)c3ccccc3)cccn12 ZINC000049404838 557099735 /nfs/dbraw/zinc/09/97/35/557099735.db2.gz NPZCAOCZRARPAQ-UHFFFAOYSA-N 0 0 426.929 4.341 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1 ZINC000072191662 557101168 /nfs/dbraw/zinc/10/11/68/557101168.db2.gz NJVYWFAWEQXHKV-NSHDSACASA-N 0 0 429.527 4.296 50 0 IIAARN COc1cc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc(OC)c1OC ZINC000085681894 557103251 /nfs/dbraw/zinc/10/32/51/557103251.db2.gz PPTYAGIGXQCYMH-UHFFFAOYSA-N 0 0 438.480 4.426 50 0 IIAARN Cc1ncc(-c2nc(-c3ccccc3)cs2)c(=O)n1CC(=O)Nc1c(F)cccc1F ZINC000049409955 557105561 /nfs/dbraw/zinc/10/55/61/557105561.db2.gz NPYVQQIHZXQFSB-UHFFFAOYSA-N 0 0 438.459 4.259 50 0 IIAARN CC(C)CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421052 557107451 /nfs/dbraw/zinc/10/74/51/557107451.db2.gz ROEFGZSOJJRQCL-UHFFFAOYSA-N 0 0 442.560 4.169 50 0 IIAARN O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)OCc1ccc(Cl)cc1Cl ZINC000023211902 557107840 /nfs/dbraw/zinc/10/78/40/557107840.db2.gz KJDPWAACRCRPKY-LBPRGKRZSA-N 0 0 436.550 4.248 50 0 IIAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)NCc4ccco4)C2)nc3=O)cc1 ZINC000049421294 557107839 /nfs/dbraw/zinc/10/78/39/557107839.db2.gz YGCBFFYHHCWONA-KRWDZBQOSA-N 0 0 448.548 4.086 50 0 IIAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4OC)c3)no2)cc1 ZINC000033327403 557110019 /nfs/dbraw/zinc/11/00/19/557110019.db2.gz VZLZBVYLFZHHRA-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1cn2ccsc2n1 ZINC000023742681 557113205 /nfs/dbraw/zinc/11/32/05/557113205.db2.gz UVRJNOPNKIVVSK-UHFFFAOYSA-N 0 0 427.533 4.450 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361361 557113533 /nfs/dbraw/zinc/11/35/33/557113533.db2.gz KUELFXNKZXGNEY-UHFFFAOYSA-N 0 0 428.448 4.156 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)c1ccc2c(c1)CCC2 ZINC000011363525 557113641 /nfs/dbraw/zinc/11/36/41/557113641.db2.gz HMOBHPZXZNXKGY-OXQOHEQNSA-N 0 0 434.561 4.428 50 0 IIAARN CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN(C)CCOc2cccc(Cl)c2)C1=O ZINC000049574666 557113809 /nfs/dbraw/zinc/11/38/09/557113809.db2.gz BNYOUJIENCQBPC-QHCPKHFHSA-N 0 0 429.948 4.102 50 0 IIAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000000633868 557114333 /nfs/dbraw/zinc/11/43/33/557114333.db2.gz BFUWTHVYTXRNQC-UHFFFAOYSA-N 0 0 437.569 4.159 50 0 IIAARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cccc2ccccc21 ZINC000001078069 557118667 /nfs/dbraw/zinc/11/86/67/557118667.db2.gz IOTPMZOBLYSCQA-UHFFFAOYSA-N 0 0 425.941 4.457 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000023822209 557119295 /nfs/dbraw/zinc/11/92/95/557119295.db2.gz FTTMSKBSUJWBFV-FQEVSTJZSA-N 0 0 429.520 4.264 50 0 IIAARN O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCC2(CC1)OCCO2 ZINC000023234768 557119641 /nfs/dbraw/zinc/11/96/41/557119641.db2.gz KMPNUGCFZURNHU-UHFFFAOYSA-N 0 0 431.945 4.014 50 0 IIAARN Cc1ccc(CN(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001161716 557119755 /nfs/dbraw/zinc/11/97/55/557119755.db2.gz KJRRQTCANBZJIK-UHFFFAOYSA-N 0 0 436.577 4.153 50 0 IIAARN CCOC(=O)Cc1sc(-c2ccc(Cl)cc2)nc1CN1C(=O)c2ccccc2C1=O ZINC000098086636 557123604 /nfs/dbraw/zinc/12/36/04/557123604.db2.gz NXFJHFBXQGKBQL-UHFFFAOYSA-N 0 0 440.908 4.365 50 0 IIAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000023900092 557124193 /nfs/dbraw/zinc/12/41/93/557124193.db2.gz ZIKAMDYTKQDWHV-HXUWFJFHSA-N 0 0 427.472 4.144 50 0 IIAARN Cc1cccc2c(=O)n(CC(=O)NC[C@@H](c3cccs3)c3c[nH]c4ccccc43)cnc12 ZINC000017911204 557128073 /nfs/dbraw/zinc/12/80/73/557128073.db2.gz OLTPJLVVLDMQFA-HXUWFJFHSA-N 0 0 442.544 4.196 50 0 IIAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)cc3)o2)cc1 ZINC000023968014 557128286 /nfs/dbraw/zinc/12/82/86/557128286.db2.gz YMONQALNCWPTBA-UHFFFAOYSA-N 0 0 439.519 4.065 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)cc1F ZINC000023990161 557130245 /nfs/dbraw/zinc/13/02/45/557130245.db2.gz WVLYDIMLSJTCFU-UHFFFAOYSA-N 0 0 434.511 4.371 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CC(C)COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000000697099 557137740 /nfs/dbraw/zinc/13/77/40/557137740.db2.gz AAZCPUZHPPZWLV-UHFFFAOYSA-N 0 0 434.496 4.436 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)c(OC)c1 ZINC000024792210 557142076 /nfs/dbraw/zinc/14/20/76/557142076.db2.gz XNBOQBZQCLJNEJ-UHFFFAOYSA-N 0 0 446.507 4.176 50 0 IIAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1C ZINC000004816313 557142723 /nfs/dbraw/zinc/14/27/23/557142723.db2.gz SLPHEYGUGHXNCM-SCUMNGBJSA-N 0 0 426.586 4.132 50 0 IIAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000024360434 557145260 /nfs/dbraw/zinc/14/52/60/557145260.db2.gz VVZUNCVBTXUEBF-QZTJIDSGSA-N 0 0 435.549 4.400 50 0 IIAARN CCOc1ccc(CCNC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1OCC ZINC000000719757 557149245 /nfs/dbraw/zinc/14/92/45/557149245.db2.gz PKLXKBCBTSXOLA-UHFFFAOYSA-N 0 0 443.569 4.103 50 0 IIAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCCc1nc2ccccc2[nH]1 ZINC000011485602 557152783 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0 IIAARN COC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)s1 ZINC000024771751 557165920 /nfs/dbraw/zinc/16/59/20/557165920.db2.gz WVPZPVMXNIOTST-KDOFPFPSSA-N 0 0 441.534 4.033 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Cl ZINC000024836674 557166459 /nfs/dbraw/zinc/16/64/59/557166459.db2.gz KQFDIFKULMWXTN-UHFFFAOYSA-N 0 0 438.830 4.179 50 0 IIAARN COc1ccc(NC(=O)c2nnc(COC(=O)C3(c4ccccc4)CCCC3)s2)cc1 ZINC000024842772 557173530 /nfs/dbraw/zinc/17/35/30/557173530.db2.gz PDLCYEPSJHTLRW-UHFFFAOYSA-N 0 0 437.521 4.354 50 0 IIAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(-c4nc(C)no4)cc3)n2)cc1 ZINC000024926695 557180228 /nfs/dbraw/zinc/18/02/28/557180228.db2.gz IQNAANNQCFBIKV-UHFFFAOYSA-N 0 0 447.520 4.099 50 0 IIAARN CCc1nn(-c2ccc(C)cc2)c2sc(C(=O)NCCCNC(=O)CC(C)C)cc12 ZINC000096210148 557183029 /nfs/dbraw/zinc/18/30/29/557183029.db2.gz BTFQUVOYUYJLEH-UHFFFAOYSA-N 0 0 426.586 4.240 50 0 IIAARN CCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000024985948 557186451 /nfs/dbraw/zinc/18/64/51/557186451.db2.gz MPWVRVZSXVEWJS-UHFFFAOYSA-N 0 0 440.487 4.159 50 0 IIAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000009327802 557186988 /nfs/dbraw/zinc/18/69/88/557186988.db2.gz QQZWDDKQKKAGTM-UHFFFAOYSA-N 0 0 448.552 4.438 50 0 IIAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000009328745 557187182 /nfs/dbraw/zinc/18/71/82/557187182.db2.gz MJNSMMNJEPKGCZ-UHFFFAOYSA-N 0 0 439.566 4.238 50 0 IIAARN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc(Br)c1OC ZINC000097998198 557187920 /nfs/dbraw/zinc/18/79/20/557187920.db2.gz VAJZDBLORAHQCO-VIZOYTHASA-N 0 0 438.224 4.479 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC ZINC000025045881 557190416 /nfs/dbraw/zinc/19/04/16/557190416.db2.gz CSQVSPGZPSOOSR-UHFFFAOYSA-N 0 0 428.539 4.455 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000025046207 557190517 /nfs/dbraw/zinc/19/05/17/557190517.db2.gz LYVXDPNVRFPBNN-UHFFFAOYSA-N 0 0 427.533 4.469 50 0 IIAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100877156 557195381 /nfs/dbraw/zinc/19/53/81/557195381.db2.gz JZPKDROWCSGZJB-VZCXRCSSSA-N 0 0 433.327 4.078 50 0 IIAARN CCOC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100877292 557195756 /nfs/dbraw/zinc/19/57/56/557195756.db2.gz QSJLYXQVIIFIEZ-XDOYNYLZSA-N 0 0 447.354 4.089 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000025156252 557197182 /nfs/dbraw/zinc/19/71/82/557197182.db2.gz LFDRNPJUTCXLJR-MRXNPFEDSA-N 0 0 449.370 4.369 50 0 IIAARN COc1ccc(OC)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000010974550 557197885 /nfs/dbraw/zinc/19/78/85/557197885.db2.gz JIFQWHQRHUKRPD-HQAMWZJRSA-N 0 0 439.386 4.186 50 0 IIAARN CCCCNC(=O)CSc1cccc(-c2cccc(SCC(=O)NCCCC)n2)n1 ZINC000096319461 557199535 /nfs/dbraw/zinc/19/95/35/557199535.db2.gz DXVCPQUROCTQGX-UHFFFAOYSA-N 0 0 446.642 4.160 50 0 IIAARN COC(=O)C[C@@H](NC(=O)CSc1ccc(Br)cc1C)c1cccs1 ZINC000025197238 557199832 /nfs/dbraw/zinc/19/98/32/557199832.db2.gz 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COc1ccc([C@H](NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c2ccccc2)cc1 ZINC000025388166 557206953 /nfs/dbraw/zinc/20/69/53/557206953.db2.gz HFDHHKLUBNHNKC-XMMPIXPASA-N 0 0 431.536 4.422 50 0 IIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H](c1cccs1)N1CCOCC1 ZINC000025389065 557207009 /nfs/dbraw/zinc/20/70/09/557207009.db2.gz KZHJCCCIFLGVBR-OAHLLOKOSA-N 0 0 449.787 4.277 50 0 IIAARN Cc1ccccc1Nc1oc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C ZINC000011614579 557209558 /nfs/dbraw/zinc/20/95/58/557209558.db2.gz DQFXEEHGVQBECH-UHFFFAOYSA-N 0 0 440.297 4.312 50 0 IIAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 ZINC000025427345 557209581 /nfs/dbraw/zinc/20/95/81/557209581.db2.gz LIUCLYYOKVTNOE-UHFFFAOYSA-N 0 0 435.423 4.413 50 0 IIAARN CN1c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766273 557211802 /nfs/dbraw/zinc/21/18/02/557211802.db2.gz DEOADXXRTFIVNJ-IBGZPJMESA-N 0 0 428.330 4.494 50 0 IIAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025583612 557217374 /nfs/dbraw/zinc/21/73/74/557217374.db2.gz GPDGTDNZWKLQIW-HFZDXXHNSA-N 0 0 444.487 4.465 50 0 IIAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc2ccccc2c(=O)[nH]1 ZINC000025610742 557219382 /nfs/dbraw/zinc/21/93/82/557219382.db2.gz HCJOYIDIIACKJC-UHFFFAOYSA-N 0 0 434.499 4.370 50 0 IIAARN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000025615076 557219705 /nfs/dbraw/zinc/21/97/05/557219705.db2.gz BBKGYTSQDCCADY-GOSISDBHSA-N 0 0 427.497 4.048 50 0 IIAARN COc1ccc(-n2nnnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 ZINC000010861605 557224638 /nfs/dbraw/zinc/22/46/38/557224638.db2.gz KAZDWLGUPUAHAX-UHFFFAOYSA-N 0 0 443.838 4.074 50 0 IIAARN CSc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010813941 557224918 /nfs/dbraw/zinc/22/49/18/557224918.db2.gz JXCXKMCDUUVMLB-CQSZACIVSA-N 0 0 431.004 4.305 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cncc(Br)c2)cs1 ZINC000011027997 557226768 /nfs/dbraw/zinc/22/67/68/557226768.db2.gz LEKZISIDZDQCMO-UHFFFAOYSA-N 0 0 446.326 4.147 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(COC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000025785392 557226838 /nfs/dbraw/zinc/22/68/38/557226838.db2.gz JDHRYEPUYPPBHX-HXUWFJFHSA-N 0 0 432.476 4.128 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000011658089 557227195 /nfs/dbraw/zinc/22/71/95/557227195.db2.gz JMUPKGSJYBIUHM-UHFFFAOYSA-N 0 0 429.473 4.456 50 0 IIAARN Cc1cc2occ(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)c2cc1C(C)C ZINC000025816486 557227768 /nfs/dbraw/zinc/22/77/68/557227768.db2.gz MYVYRZRVYLSRAH-SFHVURJKSA-N 0 0 429.538 4.216 50 0 IIAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000025842536 557228433 /nfs/dbraw/zinc/22/84/33/557228433.db2.gz ISFDBFSJRAUCAW-CYBMUJFWSA-N 0 0 427.478 4.264 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000025878473 557229154 /nfs/dbraw/zinc/22/91/54/557229154.db2.gz CVSGNZHZEIZGRK-AEFFLSMTSA-N 0 0 428.916 4.074 50 0 IIAARN COc1ccc([C@H](CC(=O)Oc2ccc(Br)cc2Cl)NC(C)=O)cc1 ZINC000011465851 557229444 /nfs/dbraw/zinc/22/94/44/557229444.db2.gz QJDJYLSRYIHTLQ-INIZCTEOSA-N 0 0 426.694 4.284 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)c1nc(-c3cccs3)n(-c3ccccc3)n1)CC2 ZINC000011660751 557229634 /nfs/dbraw/zinc/22/96/34/557229634.db2.gz IYKRTHHKRJCICC-UHFFFAOYSA-N 0 0 446.532 4.212 50 0 IIAARN CC(C)NC(=O)Nc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000072303656 557229695 /nfs/dbraw/zinc/22/96/95/557229695.db2.gz RXCDLVQZIYVDIG-CYBMUJFWSA-N 0 0 427.892 4.411 50 0 IIAARN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000032950051 557233207 /nfs/dbraw/zinc/23/32/07/557233207.db2.gz MOXVPFWOKTZXGJ-UHFFFAOYSA-N 0 0 444.333 4.209 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C(C)=O)c3)n2)cc1F ZINC000098211423 557234944 /nfs/dbraw/zinc/23/49/44/557234944.db2.gz ZTQYVTXXCLUQOT-UHFFFAOYSA-N 0 0 434.427 4.194 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211508 557235110 /nfs/dbraw/zinc/23/51/10/557235110.db2.gz YODARZCBPWDZDA-UHFFFAOYSA-N 0 0 430.464 4.443 50 0 IIAARN NC(=O)Cn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1cccs1 ZINC000026122247 557235208 /nfs/dbraw/zinc/23/52/08/557235208.db2.gz HZBWLAKKLQGZOM-UHFFFAOYSA-N 0 0 431.930 4.093 50 0 IIAARN Cc1cc(C)n2nc(C(=O)Nc3nc(COc4ccc(Cl)cc4Cl)cs3)nc2n1 ZINC000026132102 557236115 /nfs/dbraw/zinc/23/61/15/557236115.db2.gz CUACGWZUGRBCKF-UHFFFAOYSA-N 0 0 449.323 4.336 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000018092567 557236330 /nfs/dbraw/zinc/23/63/30/557236330.db2.gz NLJGHAFBCBMVPP-GFCCVEGCSA-N 0 0 435.324 4.354 50 0 IIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032950374 557236413 /nfs/dbraw/zinc/23/64/13/557236413.db2.gz FOXPWHNBPOYSPD-UHFFFAOYSA-N 0 0 444.866 4.129 50 0 IIAARN CCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000018119957 557238287 /nfs/dbraw/zinc/23/82/87/557238287.db2.gz AXSNGHAVDXRFPZ-QFQXNSOFSA-N 0 0 448.567 4.103 50 0 IIAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)c1nnc(-c2cccs2)o1 ZINC000026434479 557240997 /nfs/dbraw/zinc/24/09/97/557240997.db2.gz HWWBYDSWJTWNOL-SMDDNHRTSA-N 0 0 427.511 4.292 50 0 IIAARN O=C(CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1 ZINC000026465316 557242251 /nfs/dbraw/zinc/24/22/51/557242251.db2.gz QNRKFGWVZMDEQH-QGZVFWFLSA-N 0 0 438.380 4.043 50 0 IIAARN CCCCCCOc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1OC ZINC000026533566 557243457 /nfs/dbraw/zinc/24/34/57/557243457.db2.gz HQGSPJPNZDJEIP-LTGZKZEYSA-N 0 0 435.549 4.333 50 0 IIAARN COc1ccc([C@@H](NC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)C(C)C)cc1OC ZINC000604404644 557247555 /nfs/dbraw/zinc/24/75/55/557247555.db2.gz PTRHPYFNDLYHMR-MBSDFSHPSA-N 0 0 428.529 4.405 50 0 biogenic IIAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390828821 557249245 /nfs/dbraw/zinc/24/92/45/557249245.db2.gz BWGQUOYSLCRQHT-UHFFFAOYSA-N 0 0 426.563 4.030 50 0 IIAARN COc1ccccc1CNC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)F ZINC000018209899 557252231 /nfs/dbraw/zinc/25/22/31/557252231.db2.gz MQFNHQFKKKUHIP-MOPGFXCFSA-N 0 0 426.467 4.493 50 0 IIAARN CNC(=O)COc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000026975023 557253092 /nfs/dbraw/zinc/25/30/92/557253092.db2.gz NPLKCPAPTMMZIC-UHFFFAOYSA-N 0 0 449.454 4.135 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000027017574 557254278 /nfs/dbraw/zinc/25/42/78/557254278.db2.gz ZVCFFSFSSCRAEZ-QFIPXVFZSA-N 0 0 447.466 4.221 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1C ZINC000027020006 557254809 /nfs/dbraw/zinc/25/48/09/557254809.db2.gz YZPGGQBAHKKIPD-QFIPXVFZSA-N 0 0 431.467 4.439 50 0 IIAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 ZINC000027157406 557258299 /nfs/dbraw/zinc/25/82/99/557258299.db2.gz HTQIBANUQRSCRK-UHFFFAOYSA-N 0 0 435.524 4.050 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000027580173 557266408 /nfs/dbraw/zinc/26/64/08/557266408.db2.gz IGJOHKMSGPQUQM-UHFFFAOYSA-N 0 0 447.516 4.415 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NC)CCCC4)no2)cc1 ZINC000027580028 557266462 /nfs/dbraw/zinc/26/64/62/557266462.db2.gz KRJPOGQHNUXIMG-UHFFFAOYSA-N 0 0 425.510 4.293 50 0 IIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000027663949 557269971 /nfs/dbraw/zinc/26/99/71/557269971.db2.gz DIUKKTKSBHWNIH-XMMPIXPASA-N 0 0 443.434 4.396 50 0 IIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc2cccnc21 ZINC000000829735 557272387 /nfs/dbraw/zinc/27/23/87/557272387.db2.gz QAYBURRBSWOLAI-UHFFFAOYSA-N 0 0 435.480 4.208 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccncc2)c1C ZINC000027753188 557273155 /nfs/dbraw/zinc/27/31/55/557273155.db2.gz VBUPVGNVUAJLDJ-UHFFFAOYSA-N 0 0 443.576 4.397 50 0 IIAARN Cc1ccc2c(c1)N(C(=O)CN1c3ccccc3N=C(c3ccccc3)CC1=O)CCO2 ZINC000101354191 557275359 /nfs/dbraw/zinc/27/53/59/557275359.db2.gz JKHKVIAXIGKVQW-UHFFFAOYSA-N 0 0 425.488 4.278 50 0 IIAARN Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCc3nc4ccccc4[nH]3)cc2oc1=O ZINC000101367040 557277432 /nfs/dbraw/zinc/27/74/32/557277432.db2.gz WLZZYRBQSQWXGI-UHFFFAOYSA-N 0 0 439.899 4.067 50 0 IIAARN C[C@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1 ZINC000100975370 557280555 /nfs/dbraw/zinc/28/05/55/557280555.db2.gz QANDUNOCNUVCBG-HKQJZWTQSA-N 0 0 442.515 4.004 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccccc3CC)C2=O)cc1 ZINC000101299328 557286090 /nfs/dbraw/zinc/28/60/90/557286090.db2.gz RKKBBIHINVILAF-HXUWFJFHSA-N 0 0 426.538 4.042 50 0 IIAARN COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)c(CC(=S)N4CCOCC4)cc3CC[C@H]12 ZINC000101362278 557291804 /nfs/dbraw/zinc/29/18/04/557291804.db2.gz HWSTUAPZICADRB-FTBPSBKWSA-N 0 0 445.625 4.081 50 0 IIAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNc1ccccn1 ZINC000078958506 557293804 /nfs/dbraw/zinc/29/38/04/557293804.db2.gz HAPGUTNXLCSFLD-UHFFFAOYSA-N 0 0 436.928 4.218 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000014071055 557297714 /nfs/dbraw/zinc/29/77/14/557297714.db2.gz IAHFEYANCTVITH-JPYJTQIMSA-N 0 0 447.535 4.400 50 0 IIAARN CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101827651 557299480 /nfs/dbraw/zinc/29/94/80/557299480.db2.gz SVUCTMHQRHTTPE-UHFFFAOYSA-N 0 0 440.478 4.450 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828451 557300160 /nfs/dbraw/zinc/30/01/60/557300160.db2.gz FQXZJCPYGWRYSY-UHFFFAOYSA-N 0 0 428.879 4.402 50 0 IIAARN Cc1cc(C)cc(-n2c(SCC(=O)N(C)C)nnc2-c2ccc(Br)cc2)c1 ZINC000014095278 557302685 /nfs/dbraw/zinc/30/26/85/557302685.db2.gz HYUIUFYUWXPAFC-UHFFFAOYSA-N 0 0 445.386 4.494 50 0 IIAARN CCc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(OC)c3)CC2=O)cc1 ZINC000101881848 557305675 /nfs/dbraw/zinc/30/56/75/557305675.db2.gz OEKLOKDZVOQVLR-UHFFFAOYSA-N 0 0 428.492 4.149 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)c1 ZINC000101881855 557305683 /nfs/dbraw/zinc/30/56/83/557305683.db2.gz MONXGGFTSHLFKG-UHFFFAOYSA-N 0 0 428.492 4.203 50 0 IIAARN COc1ccccc1OCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014163707 557312092 /nfs/dbraw/zinc/31/20/92/557312092.db2.gz CBHHCKJAMWEYTM-UHFFFAOYSA-N 0 0 427.504 4.416 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C(C)=O)c3)C(=O)C2)cc1 ZINC000102298998 557315865 /nfs/dbraw/zinc/31/58/65/557315865.db2.gz HGZFAMOHYMNURZ-UHFFFAOYSA-N 0 0 441.487 4.394 50 0 IIAARN O=C(CN1c2ccccc2N=C(c2ccc(Br)s2)CC1=O)NC1CCCC1 ZINC000102301121 557315994 /nfs/dbraw/zinc/31/59/94/557315994.db2.gz HBLJBNBZFXLPBX-UHFFFAOYSA-N 0 0 446.370 4.427 50 0 IIAARN COC(=O)c1cc(CSc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)oc1C ZINC000032794156 557316078 /nfs/dbraw/zinc/31/60/78/557316078.db2.gz BDLASHHTUBHZKA-UHFFFAOYSA-N 0 0 447.582 4.121 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)[C@H]1C ZINC000102250477 557316550 /nfs/dbraw/zinc/31/65/50/557316550.db2.gz KTLLRXUTAYYWRP-LQWHRVPQSA-N 0 0 432.524 4.032 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102257099 557316631 /nfs/dbraw/zinc/31/66/31/557316631.db2.gz SPGFXQUHRCQILX-OAQYLSRUSA-N 0 0 443.544 4.365 50 0 IIAARN Cc1ccc(C)c(OC[C@@H](O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000014200964 557317309 /nfs/dbraw/zinc/31/73/09/557317309.db2.gz YZPATGJIUQYECU-INIZCTEOSA-N 0 0 425.356 4.229 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1OC ZINC000024434295 557318756 /nfs/dbraw/zinc/31/87/56/557318756.db2.gz KECLQHUMTFNJCY-VQIMIIECSA-N 0 0 428.916 4.074 50 0 IIAARN O=C(/C=C/c1ccco1)NCC12CC3CC(C1)CC(CNC(=O)/C=C\c1ccco1)(C3)C2 ZINC000033390493 557319128 /nfs/dbraw/zinc/31/91/28/557319128.db2.gz IELAXLSWNLFYPH-CGXWXWIYSA-N 0 0 434.536 4.418 50 0 IIAARN Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000033027329 557321246 /nfs/dbraw/zinc/32/12/46/557321246.db2.gz BVDNRBALEICUPS-UHFFFAOYSA-N 0 0 436.537 4.304 50 0 IIAARN Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000033053177 557323078 /nfs/dbraw/zinc/32/30/78/557323078.db2.gz STKCTJSZVQWZEE-UHFFFAOYSA-N 0 0 441.597 4.412 50 0 IIAARN COc1cccc(CNc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)c1 ZINC000033250535 557327349 /nfs/dbraw/zinc/32/73/49/557327349.db2.gz DVBLCAJMFXKKBV-QGZVFWFLSA-N 0 0 425.554 4.419 50 0 IIAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4ccccc4F)n3)n[nH]2)c1 ZINC000033270826 557328615 /nfs/dbraw/zinc/32/86/15/557328615.db2.gz HWZAPHPLBFKXOI-UHFFFAOYSA-N 0 0 438.488 4.166 50 0 IIAARN CCOc1ccc(NC(=O)CCn2cnc3c(-c4ccc(CC)cc4)noc3c2=O)cc1 ZINC000033277716 557329164 /nfs/dbraw/zinc/32/91/64/557329164.db2.gz BSXYSXFZYDGFOM-UHFFFAOYSA-N 0 0 432.480 4.041 50 0 IIAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000033300514 557331026 /nfs/dbraw/zinc/33/10/26/557331026.db2.gz URDPJTZKLKYBPD-UHFFFAOYSA-N 0 0 437.883 4.445 50 0 IIAARN COc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1 ZINC000102529607 557340490 /nfs/dbraw/zinc/34/04/90/557340490.db2.gz DQHUMLBXBAJKCQ-UHFFFAOYSA-N 0 0 427.504 4.178 50 0 IIAARN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023334861 557349762 /nfs/dbraw/zinc/34/97/62/557349762.db2.gz 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COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102735632 557373213 /nfs/dbraw/zinc/37/32/13/557373213.db2.gz PUCZXUVHKHVZFL-WXFUMESZSA-N 0 0 444.487 4.063 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)N2C(CC(=O)NCC(C)C)=CSC2=N1 ZINC000102745514 557377698 /nfs/dbraw/zinc/37/76/98/557377698.db2.gz QFTRCBMXNZTZHZ-NRFANRHFSA-N 0 0 427.570 4.375 50 0 IIAARN CCN1c2ccc(S(=O)(=O)Oc3cc(C)nn3-c3ccc(C)cc3)c3cccc(c23)C1=O ZINC000011691569 557379433 /nfs/dbraw/zinc/37/94/33/557379433.db2.gz LWDGVKAWYGFERB-UHFFFAOYSA-N 0 0 447.516 4.390 50 0 IIAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3nnnn32)c1 ZINC000102763541 557380884 /nfs/dbraw/zinc/38/08/84/557380884.db2.gz OHLGZZXYTFVXAV-HNNXBMFYSA-N 0 0 435.818 4.001 50 0 IIAARN COC(=O)c1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)CC(c1ccc(OC)cc1)=N2 ZINC000102798543 557388968 /nfs/dbraw/zinc/38/89/68/557388968.db2.gz GKDFRVHCOUYRBR-KRWDZBQOSA-N 0 0 431.279 4.436 50 0 IIAARN 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562956317 /nfs/dbraw/zinc/95/63/17/562956317.db2.gz VRPGJEZMGUQDBM-UHFFFAOYSA-N 0 0 440.540 4.112 50 0 IIAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000008605548 562956807 /nfs/dbraw/zinc/95/68/07/562956807.db2.gz UJVGNGNYMXEREH-UHFFFAOYSA-N 0 0 442.926 4.243 50 0 IIAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(F)cc1 ZINC000008609953 562957998 /nfs/dbraw/zinc/95/79/98/562957998.db2.gz NMLFQBSTLNITGK-UHFFFAOYSA-N 0 0 426.517 4.464 50 0 aggregator IIAARN CCCN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2CC)C1=O ZINC000008612942 562959321 /nfs/dbraw/zinc/95/93/21/562959321.db2.gz FODXMCCZWRYDLC-QGZVFWFLSA-N 0 0 440.341 4.262 50 0 IIAARN Cc1ccc(C)c(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)c1 ZINC000008613610 562959397 /nfs/dbraw/zinc/95/93/97/562959397.db2.gz UDLRLBUVUGTTLX-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1 ZINC000008683828 562962086 /nfs/dbraw/zinc/96/20/86/562962086.db2.gz WHGUAZKXVDQYJI-UHFFFAOYSA-N 0 0 438.593 4.491 50 0 IIAARN Cc1cc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12 ZINC000008687542 562962992 /nfs/dbraw/zinc/96/29/92/562962992.db2.gz RJKGBXJWFMTDPX-LBPRGKRZSA-N 0 0 433.455 4.196 50 0 aggregator IIAARN CCOc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCC(=O)N1CCCCC1 ZINC000008690787 562963258 /nfs/dbraw/zinc/96/32/58/562963258.db2.gz NRGNISNPMKRYCO-UHFFFAOYSA-N 0 0 426.513 4.046 50 0 IIAARN Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1C ZINC000008917040 562966053 /nfs/dbraw/zinc/96/60/53/562966053.db2.gz RIIPSXOVPHSHNW-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3cccs3)C2)c1 ZINC000009126926 562967512 /nfs/dbraw/zinc/96/75/12/562967512.db2.gz OBYVEVGYKPJMIX-IBGZPJMESA-N 0 0 443.525 4.250 50 0 IIAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccco5)nc4c32)cc1OC ZINC000009159332 562967940 /nfs/dbraw/zinc/96/79/40/562967940.db2.gz IXSRJTQTJFIGLK-HXUWFJFHSA-N 0 0 442.431 4.393 50 0 IIAARN Cc1cc(O[C@H](C)C(=O)NCc2ccccn2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000009429544 562970556 /nfs/dbraw/zinc/97/05/56/562970556.db2.gz SLHGATGRJSGKJR-LJQANCHMSA-N 0 0 442.515 4.479 50 0 IIAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccc(F)cc3)c(C)n2n1 ZINC000009609723 562974109 /nfs/dbraw/zinc/97/41/09/562974109.db2.gz SCCSOGFVCPAJKM-UHFFFAOYSA-N 0 0 432.499 4.410 50 0 IIAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009729061 562976168 /nfs/dbraw/zinc/97/61/68/562976168.db2.gz JRYSDVSNBPQHKF-UHFFFAOYSA-N 0 0 438.531 4.258 50 0 IIAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccco3)nc12)c1ccc(Cl)cc1 ZINC000009971160 562978147 /nfs/dbraw/zinc/97/81/47/562978147.db2.gz KXRDUNMKTLNNRL-UHFFFAOYSA-N 0 0 445.913 4.030 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000013012756 562984114 /nfs/dbraw/zinc/98/41/14/562984114.db2.gz XZALVWZWYFNMJQ-HYFFOGBASA-N 0 0 430.570 4.075 50 0 IIAARN CN1C[C@H](c2ccccc2Cl)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013132777 562985010 /nfs/dbraw/zinc/98/50/10/562985010.db2.gz OXKPSTZIEWTELD-WGURPXDASA-N 0 0 444.918 4.478 50 0 IIAARN Cc1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1Cl ZINC000016689924 563020998 /nfs/dbraw/zinc/02/09/98/563020998.db2.gz RJSGAWFJNJRRMO-UHFFFAOYSA-N 0 0 438.911 4.177 50 0 IIAARN CCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(OC)cc2)n1 ZINC000044389363 563122050 /nfs/dbraw/zinc/12/20/50/563122050.db2.gz HRZCZYCMCWRPAC-UHFFFAOYSA-N 0 0 430.468 4.250 50 0 IIAARN Cc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000019939413 568613319 /nfs/dbraw/zinc/61/33/19/568613319.db2.gz CUMCFBJHDXUFNG-JOCHJYFZSA-N 0 0 441.409 4.066 50 0 IIAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccc(F)cc1 ZINC000019939404 568613338 /nfs/dbraw/zinc/61/33/38/568613338.db2.gz KNVALFHOEIUIHU-NRFANRHFSA-N 0 0 433.405 4.046 50 0 IIAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccc(F)cc1 ZINC000019939406 568613369 /nfs/dbraw/zinc/61/33/69/568613369.db2.gz KNVALFHOEIUIHU-OAQYLSRUSA-N 0 0 433.405 4.046 50 0 IIAARN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000025084303 568635597 /nfs/dbraw/zinc/63/55/97/568635597.db2.gz ASUDKARTKNWOQD-KRWDZBQOSA-N 0 0 448.450 4.125 50 0 IIAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)n1 ZINC000000907040 568636288 /nfs/dbraw/zinc/63/62/88/568636288.db2.gz VIMDQRFYBALCFD-UHFFFAOYSA-N 0 0 449.005 4.207 50 0 IIAARN COc1ccc(CC(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2cccc(Cl)c2)cc1 ZINC000086066410 568644384 /nfs/dbraw/zinc/64/43/84/568644384.db2.gz IVQKXYLVIVVSJG-UHFFFAOYSA-N 0 0 435.915 4.179 50 0 IIAARN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086077251 568644624 /nfs/dbraw/zinc/64/46/24/568644624.db2.gz WKWXNMKOCZRSJD-CQSZACIVSA-N 0 0 441.329 4.256 50 0 IIAARN COc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086077250 568644631 /nfs/dbraw/zinc/64/46/31/568644631.db2.gz WKWXNMKOCZRSJD-AWEZNQCLSA-N 0 0 441.329 4.256 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 ZINC000000950530 568645389 /nfs/dbraw/zinc/64/53/89/568645389.db2.gz KCFIEQCRZKMZAE-UHFFFAOYSA-N 0 0 448.862 4.245 50 0 IIAARN Cc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000959891 568646526 /nfs/dbraw/zinc/64/65/26/568646526.db2.gz LRGCFHWXSNCQQO-UHFFFAOYSA-N 0 0 430.533 4.387 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000000976884 568648054 /nfs/dbraw/zinc/64/80/54/568648054.db2.gz TWHYWXWQLPHDAQ-UHFFFAOYSA-N 0 0 449.488 4.319 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000000999362 568649531 /nfs/dbraw/zinc/64/95/31/568649531.db2.gz WLGAUYBFISOIGT-MJGOQNOKSA-N 0 0 446.477 4.166 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000001010419 568651843 /nfs/dbraw/zinc/65/18/43/568651843.db2.gz SIXJKYUUIPJYAQ-UHFFFAOYSA-N 0 0 442.342 4.318 50 0 IIAARN CC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2=O ZINC000001075198 568656697 /nfs/dbraw/zinc/65/66/97/568656697.db2.gz RFUDSRZHOKVSJR-UHFFFAOYSA-N 0 0 445.346 4.187 50 0 IIAARN CCOc1cc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)ccc1OC(C)=O ZINC000001096348 568658871 /nfs/dbraw/zinc/65/88/71/568658871.db2.gz JEZAICHKTUBAGX-GOSISDBHSA-N 0 0 441.534 4.446 50 0 IIAARN COC(=O)c1sc(NC(=O)/C=C/c2ccc(Br)cc2)c(C(=O)OC)c1C ZINC000001113529 568659800 /nfs/dbraw/zinc/65/98/00/568659800.db2.gz JAGINOQFQFLNAP-RMKNXTFCSA-N 0 0 438.299 4.044 50 0 IIAARN CCCCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000025562072 568735922 /nfs/dbraw/zinc/73/59/22/568735922.db2.gz FQMGKOKYGFVCBV-DEOSSOPVSA-N 0 0 426.557 4.068 50 0 IIAARN COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1 ZINC000001205725 568737127 /nfs/dbraw/zinc/73/71/27/568737127.db2.gz NDOGOEHDLOXOCJ-MOSHPQCFSA-N 0 0 430.460 4.142 50 0 IIAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC000037341707 568737940 /nfs/dbraw/zinc/73/79/40/568737940.db2.gz JQWUNHFUIFWXBE-YYFZDKIDSA-N 0 0 433.426 4.134 50 0 IIAARN C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc(Br)cc1 ZINC000001984891 568742376 /nfs/dbraw/zinc/74/23/76/568742376.db2.gz OOMLBSSFBFFASH-JTQLQIEISA-N 0 0 427.092 4.396 50 0 IIAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012526577 568742564 /nfs/dbraw/zinc/74/25/64/568742564.db2.gz FBTXKZWNHZOVOC-UHFFFAOYSA-N 0 0 449.498 4.069 50 0 IIAARN COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cc(C)cc(C)c2)c1 ZINC000003223915 568743124 /nfs/dbraw/zinc/74/31/24/568743124.db2.gz YCDPUVLJQUCIJD-UHFFFAOYSA-N 0 0 428.488 4.255 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1c(C)noc1C ZINC000003289192 568745189 /nfs/dbraw/zinc/74/51/89/568745189.db2.gz FXEASHDMOMOKQX-INIZCTEOSA-N 0 0 431.341 4.193 50 0 IIAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(Br)o1 ZINC000043990359 568745203 /nfs/dbraw/zinc/74/52/03/568745203.db2.gz OEPUCNKGWXDAGG-UHFFFAOYSA-N 0 0 431.286 4.071 50 0 IIAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000003296231 568745315 /nfs/dbraw/zinc/74/53/15/568745315.db2.gz QIZXLXQPKNUINN-UHFFFAOYSA-N 0 0 435.484 4.003 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2cccnc2)c(C)c1 ZINC000003362714 568747096 /nfs/dbraw/zinc/74/70/96/568747096.db2.gz WFRUUJGJONQCNG-UHFFFAOYSA-N 0 0 435.578 4.416 50 0 IIAARN COc1ccc(C(C)=O)cc1C[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000003418464 568748696 /nfs/dbraw/zinc/74/86/96/568748696.db2.gz LPOGEZSGRFHNKU-NRFANRHFSA-N 0 0 445.471 4.307 50 0 IIAARN O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000003429039 568748939 /nfs/dbraw/zinc/74/89/39/568748939.db2.gz BLQBJGPXZRXFBI-UHFFFAOYSA-N 0 0 448.466 4.365 50 0 IIAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000044224792 568749966 /nfs/dbraw/zinc/74/99/66/568749966.db2.gz GHUQRSBGKSUGRC-UHFFFAOYSA-N 0 0 441.900 4.196 50 0 IIAARN CSc1cccc2sc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc21 ZINC000044224910 568750002 /nfs/dbraw/zinc/75/00/02/568750002.db2.gz AJLXCSOPNGCVNG-UHFFFAOYSA-N 0 0 428.539 4.101 50 0 IIAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)cc4)c(=O)n3n2)cc1 ZINC000003649124 568752618 /nfs/dbraw/zinc/75/26/18/568752618.db2.gz ZNJLTRWKSLCQDV-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310084 568754971 /nfs/dbraw/zinc/75/49/71/568754971.db2.gz GKMWWBYOMMXHFP-OAQYLSRUSA-N 0 0 442.531 4.181 50 0 IIAARN CC(C)CNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 ZINC000299779979 568757059 /nfs/dbraw/zinc/75/70/59/568757059.db2.gz JFXGVYCVLJJFKY-MRXNPFEDSA-N 0 0 439.943 4.129 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)NCCc4ccncc4)c3C3CC3)n2)c(C)s1 ZINC000299778323 568757066 /nfs/dbraw/zinc/75/70/66/568757066.db2.gz HAGWBQJASCSKJZ-UHFFFAOYSA-N 0 0 444.564 4.253 50 0 IIAARN Cc1cnc(-n2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c2C2CC2)nc1-c1cccs1 ZINC000299795684 568758000 /nfs/dbraw/zinc/75/80/00/568758000.db2.gz LWCUVSAZYZLZGC-AWEZNQCLSA-N 0 0 434.525 4.398 50 0 IIAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000263585371 568759061 /nfs/dbraw/zinc/75/90/61/568759061.db2.gz HWSCDVBEMQCQRT-JOCHJYFZSA-N 0 0 431.492 4.137 50 0 biogenic IIAARN NC(=O)COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586796 568759450 /nfs/dbraw/zinc/75/94/50/568759450.db2.gz YBRVWHDFCQCZNR-FQEVSTJZSA-N 0 0 425.488 4.028 50 0 biogenic IIAARN CCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1C ZINC000004036038 568759708 /nfs/dbraw/zinc/75/97/08/568759708.db2.gz WVSDYAHQUFTPSI-JOCHJYFZSA-N 0 0 427.570 4.480 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)NCCn1ccc2c1cccc2Cl ZINC000263588292 568761013 /nfs/dbraw/zinc/76/10/13/568761013.db2.gz RIJNQUZCQPBDGS-UHFFFAOYSA-N 0 0 425.916 4.091 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 ZINC000001259926 568775172 /nfs/dbraw/zinc/77/51/72/568775172.db2.gz AIJCZLGVYKAPEO-OAHLLOKOSA-N 0 0 436.599 4.326 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000263619034 568777882 /nfs/dbraw/zinc/77/78/82/568777882.db2.gz WOUUNBQTPUSBLM-MRXNPFEDSA-N 0 0 438.793 4.354 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4cccc(Cl)c4)c(=O)c32)C1 ZINC000001321066 568780000 /nfs/dbraw/zinc/78/00/00/568780000.db2.gz JFWKIONGGGFBDH-GFCCVEGCSA-N 0 0 430.961 4.296 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2ccc(I)cc2)C2CC2)c1 ZINC000025803945 568781695 /nfs/dbraw/zinc/78/16/95/568781695.db2.gz JJLVWKVHBAHTRC-UHFFFAOYSA-N 0 0 437.277 4.113 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019171589 568782317 /nfs/dbraw/zinc/78/23/17/568782317.db2.gz KAKFADBDXSIQQW-KSZLIROESA-N 0 0 436.726 4.182 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 ZINC000004163906 568783040 /nfs/dbraw/zinc/78/30/40/568783040.db2.gz KMEMJWLKDIMWMN-HSZRJFAPSA-N 0 0 430.508 4.427 50 0 IIAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)cc1 ZINC000045898440 568783067 /nfs/dbraw/zinc/78/30/67/568783067.db2.gz JJEQUNNOSJAVSX-UHFFFAOYSA-N 0 0 447.579 4.139 50 0 IIAARN CS(=O)(=O)N(CC(=O)Oc1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000001398481 568785657 /nfs/dbraw/zinc/78/56/57/568785657.db2.gz NRYDEPYWQUUGSC-UHFFFAOYSA-N 0 0 442.242 4.384 50 0 IIAARN O=S(=O)(NCc1cccnc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001397510 568785705 /nfs/dbraw/zinc/78/57/05/568785705.db2.gz HDUSLSPGQQTTIU-UHFFFAOYSA-N 0 0 443.834 4.420 50 0 IIAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001423124 568793382 /nfs/dbraw/zinc/79/33/82/568793382.db2.gz DIZDZQOKPYWTEF-IBGZPJMESA-N 0 0 446.912 4.032 50 0 IIAARN COc1ccc([C@@H]2OC(=O)N(Cc3cccc(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422853 568793395 /nfs/dbraw/zinc/79/33/95/568793395.db2.gz ATSHULCUNFIMPK-ZCYQVOJMSA-N 0 0 435.476 4.251 50 0 IIAARN C[C@H](Oc1ccc(I)cc1)C(=O)NCc1ccc(-n2cccc2)cc1 ZINC000001426629 568793960 /nfs/dbraw/zinc/79/39/60/568793960.db2.gz AGYXBWRGQVCVRH-HNNXBMFYSA-N 0 0 446.288 4.166 50 0 IIAARN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](Cc3ccccc3F)c3ccccc3)cc2s1 ZINC000001428849 568794141 /nfs/dbraw/zinc/79/41/41/568794141.db2.gz CNCPMBYXAZZVJQ-QGZVFWFLSA-N 0 0 442.537 4.034 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3nnc(-c4ccco4)o3)cc2)cc1 ZINC000084157439 568795465 /nfs/dbraw/zinc/79/54/65/568795465.db2.gz YRRQHQANZSYYBD-UHFFFAOYSA-N 0 0 425.466 4.042 50 0 IIAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000084185741 568795787 /nfs/dbraw/zinc/79/57/87/568795787.db2.gz CXHYKRFPCZOXEJ-JOCHJYFZSA-N 0 0 428.598 4.472 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)c1 ZINC000084195135 568796055 /nfs/dbraw/zinc/79/60/55/568796055.db2.gz QRYRBQWGNMHRRV-OXJNMPFZSA-N 0 0 427.419 4.109 50 0 IIAARN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000084241088 568796519 /nfs/dbraw/zinc/79/65/19/568796519.db2.gz HBAGTJYVVFGULV-LJQANCHMSA-N 0 0 429.467 4.235 50 0 IIAARN O=S(=O)(c1c[nH]c2ncccc12)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000084372684 568797485 /nfs/dbraw/zinc/79/74/85/568797485.db2.gz LWEJLPWMUIOAON-SFHVURJKSA-N 0 0 425.489 4.008 50 0 IIAARN O=[S@](Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1Br)OCCO2 ZINC000084403279 568797708 /nfs/dbraw/zinc/79/77/08/568797708.db2.gz BWYOQLQKZZKNLX-VWLOTQADSA-N 0 0 433.270 4.271 50 0 IIAARN Cc1cc(I)cc(C)c1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000001436722 568800234 /nfs/dbraw/zinc/80/02/34/568800234.db2.gz REKWGLJUKCVFCO-CQSZACIVSA-N 0 0 444.313 4.246 50 0 IIAARN CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000084811034 568801797 /nfs/dbraw/zinc/80/17/97/568801797.db2.gz KTDPRFWEUXJEAV-BTYIYWSLSA-N 0 0 436.346 4.245 50 0 IIAARN COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1C ZINC000015671330 568803016 /nfs/dbraw/zinc/80/30/16/568803016.db2.gz MSFXMLCTGRIESU-UHFFFAOYSA-N 0 0 441.557 4.021 50 0 IIAARN COc1c2c(cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4C3CCCCC3)c1OC)OCO2 ZINC000085411770 568818010 /nfs/dbraw/zinc/81/80/10/568818010.db2.gz UTCLVLRSIZTRNG-LJQANCHMSA-N 0 0 431.514 4.314 50 0 IIAARN COc1cccc(-c2nn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c3noc(C)c32)c1 ZINC000085592996 568826032 /nfs/dbraw/zinc/82/60/32/568826032.db2.gz TZKWSUWWKGMXMT-MRXNPFEDSA-N 0 0 446.507 4.493 50 0 IIAARN Cc1[nH]c(C(=O)Nc2cccc(-c3ccno3)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598289 568827240 /nfs/dbraw/zinc/82/72/40/568827240.db2.gz SOTTVBQUIILGNR-UHFFFAOYSA-N 0 0 442.541 4.104 50 0 IIAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCOc2ccccc2)[C@H](O)C[C@@H]1O ZINC000583653004 568837776 /nfs/dbraw/zinc/83/77/76/568837776.db2.gz SMLIPMZXFVFCKX-XJEZHJKASA-N 0 0 448.600 4.023 50 0 IIAARN COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085878285 568838773 /nfs/dbraw/zinc/83/87/73/568838773.db2.gz UPRLPYYOGCMLLC-KRWDZBQOSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN Cc1[n-]n(-c2nnc3c4cc(Br)ccc4[nH]c3n2)c(=O)c1Cc1ccccc1 ZINC000001513450 568839374 /nfs/dbraw/zinc/83/93/74/568839374.db2.gz CPJZNENTYASTKU-UHFFFAOYSA-N 0 0 435.285 4.059 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015824011 568840346 /nfs/dbraw/zinc/84/03/46/568840346.db2.gz FIYFUZMIFTXBQF-UHFFFAOYSA-N 0 0 436.946 4.213 50 0 IIAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3C(C)(C)C)c(Cl)c2)C1=O ZINC000015858417 568846607 /nfs/dbraw/zinc/84/66/07/568846607.db2.gz LSSBZKPJBKNFSW-CYBMUJFWSA-N 0 0 434.945 4.202 50 0 IIAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2)C1=O ZINC000015858679 568846794 /nfs/dbraw/zinc/84/67/94/568846794.db2.gz BJQCDPYGTWPATR-UHFFFAOYSA-N 0 0 448.544 4.236 50 0 IIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@H]4c2ccco2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858942 568846955 /nfs/dbraw/zinc/84/69/55/568846955.db2.gz PUAXFCMCAYLTKB-DEOSSOPVSA-N 0 0 439.471 4.078 50 0 IIAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000015882659 568857212 /nfs/dbraw/zinc/85/72/12/568857212.db2.gz MIBNGVJUPPEBDI-UHFFFAOYSA-N 0 0 431.518 4.038 50 0 IIAARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1cccc(C(F)(F)F)c1 ZINC000015882763 568857242 /nfs/dbraw/zinc/85/72/42/568857242.db2.gz HBFBCKQZDRIGDL-UHFFFAOYSA-N 0 0 449.454 4.123 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883342 568857657 /nfs/dbraw/zinc/85/76/57/568857657.db2.gz RPMKSENLLZIDOZ-SFHVURJKSA-N 0 0 429.495 4.335 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)COc1cccc2c1ccn2CCOC)c1nc2ccccc2[nH]1 ZINC000575443054 568868706 /nfs/dbraw/zinc/86/87/06/568868706.db2.gz FHXIVKGWHFKBNE-MZNJEOGPSA-N 0 0 434.540 4.446 50 0 IIAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)cc(OCC)c1OCC ZINC000016047587 568869048 /nfs/dbraw/zinc/86/90/48/568869048.db2.gz WYZJFPNKJYAHAB-UHFFFAOYSA-N 0 0 439.468 4.388 50 0 IIAARN CCCOc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000016048012 568869433 /nfs/dbraw/zinc/86/94/33/568869433.db2.gz HOXVTHPWHBDKJI-UHFFFAOYSA-N 0 0 434.514 4.150 50 0 IIAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012943398 568870312 /nfs/dbraw/zinc/87/03/12/568870312.db2.gz MUHATEUWLYJCRR-FQEVSTJZSA-N 0 0 438.524 4.460 50 0 IIAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000012947099 568871255 /nfs/dbraw/zinc/87/12/55/568871255.db2.gz COXDKWSDBDMITF-UHFFFAOYSA-N 0 0 435.568 4.293 50 0 IIAARN C[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012950437 568872244 /nfs/dbraw/zinc/87/22/44/568872244.db2.gz HEXSKRYFKBMFPT-SUMWQHHRSA-N 0 0 445.516 4.006 50 0 IIAARN O=C(c1cc(=O)c2ccccc2o1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000575614680 568881054 /nfs/dbraw/zinc/88/10/54/568881054.db2.gz AQSGKXVMFRZUGY-UHFFFAOYSA-N 0 0 428.492 4.137 50 0 IIAARN O=C(c1cc(-c2cccs2)on1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575618899 568882661 /nfs/dbraw/zinc/88/26/61/568882661.db2.gz XDXQBJALWVYFDO-SFHVURJKSA-N 0 0 436.942 4.059 50 0 IIAARN COC[C@@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000011021422 568884666 /nfs/dbraw/zinc/88/46/66/568884666.db2.gz NQFPFKGEQMBTBN-CQSZACIVSA-N 0 0 437.487 4.347 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000229836235 568887006 /nfs/dbraw/zinc/88/70/06/568887006.db2.gz XKESFJMTYGBTKX-LVCYWYKZSA-N 0 0 442.535 4.047 50 0 IIAARN CC(C)c1nccn1CC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000090560543 568887778 /nfs/dbraw/zinc/88/77/78/568887778.db2.gz VFJBXJYDODMQOE-UHFFFAOYSA-N 0 0 431.480 4.006 50 0 IIAARN Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)CCOc1ccc(F)cc1 ZINC000090593354 568888938 /nfs/dbraw/zinc/88/89/38/568888938.db2.gz SKTPKADCUGQEQU-UHFFFAOYSA-N 0 0 440.949 4.409 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1 ZINC000090607085 568889767 /nfs/dbraw/zinc/88/97/67/568889767.db2.gz VEOWQUORWBCTSU-UHFFFAOYSA-N 0 0 444.582 4.164 50 0 IIAARN COc1ccc(-c2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)on2)cc1 ZINC000012977800 568891294 /nfs/dbraw/zinc/89/12/94/568891294.db2.gz WXSGFBXXPLHIHA-UHFFFAOYSA-N 0 0 442.468 4.473 50 0 IIAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000090610315 568892308 /nfs/dbraw/zinc/89/23/08/568892308.db2.gz VAAIBGKPOZXDCR-UHFFFAOYSA-N 0 0 439.867 4.256 50 0 IIAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000035527384 568893024 /nfs/dbraw/zinc/89/30/24/568893024.db2.gz QJJQFVBKAFDOFI-HHHXNRCGSA-N 0 0 428.532 4.359 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1=O ZINC000012986831 568895144 /nfs/dbraw/zinc/89/51/44/568895144.db2.gz KYDSONXHLJOTSE-XMMPIXPASA-N 0 0 448.548 4.223 50 0 IIAARN O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012984462 568895534 /nfs/dbraw/zinc/89/55/34/568895534.db2.gz HYMLMRSBDMCNKE-UHFFFAOYSA-N 0 0 436.489 4.044 50 0 IIAARN COc1ccccc1C=C(C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000032907904 568895811 /nfs/dbraw/zinc/89/58/11/568895811.db2.gz UBXUCAGMJCNROI-LTGZKZEYSA-N 0 0 425.488 4.131 50 0 IIAARN O=C(CCc1nc2ccccc2s1)NCCN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000033403888 568896086 /nfs/dbraw/zinc/89/60/86/568896086.db2.gz WZOCQVKSBZSLLT-FOWTUZBSSA-N 0 0 443.575 4.143 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1F ZINC000039983272 568896278 /nfs/dbraw/zinc/89/62/78/568896278.db2.gz LEQNVDAKJUJUOE-WEVVVXLNSA-N 0 0 430.277 4.494 50 0 IIAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000012999317 568898096 /nfs/dbraw/zinc/89/80/96/568898096.db2.gz DNIVIZHRFDYWRY-HXUWFJFHSA-N 0 0 428.536 4.255 50 0 IIAARN CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000013011211 568900080 /nfs/dbraw/zinc/90/00/80/568900080.db2.gz VJVMEIOKZSIJTL-UHFFFAOYSA-N 0 0 425.341 4.142 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3ccc(Br)s3)cs1)CS2 ZINC000013020509 568902360 /nfs/dbraw/zinc/90/23/60/568902360.db2.gz CUDVVTPNDZGBLV-VFZGTOFNSA-N 0 0 444.401 4.027 50 0 IIAARN CC(C)c1ccc(-n2nnnc2SCc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000013023496 568902441 /nfs/dbraw/zinc/90/24/41/568902441.db2.gz XZQMBRCPQUNNEX-UHFFFAOYSA-N 0 0 426.477 4.179 50 0 IIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1nc(-c2ccccn2)no1 ZINC000253410363 568903142 /nfs/dbraw/zinc/90/31/42/568903142.db2.gz NGFCDRWSEYLGKU-GOSISDBHSA-N 0 0 435.915 4.119 50 0 IIAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000026661691 568905903 /nfs/dbraw/zinc/90/59/03/568905903.db2.gz FBCKDJYGIVBSER-MRXNPFEDSA-N 0 0 444.472 4.175 50 0 IIAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)Nc3cccc(F)c3)c2)C(C(=O)OC)=C1C ZINC000035712344 568907666 /nfs/dbraw/zinc/90/76/66/568907666.db2.gz ZFMAMEFBKVPTKW-FQEVSTJZSA-N 0 0 440.475 4.393 50 0 IIAARN Cc1nc(COc2ccc(/C=C3/NC(=S)N(c4ccccc4F)C3=O)cc2)cs1 ZINC000105328097 568908904 /nfs/dbraw/zinc/90/89/04/568908904.db2.gz ZABGAEMXFCXOHK-VCHYOVAHSA-N 0 0 425.510 4.432 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4cc(C)ccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256508 568913943 /nfs/dbraw/zinc/91/39/43/568913943.db2.gz QFBQOHYYDQZFSX-KCJGJZAOSA-N 0 0 434.561 4.313 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)nn32)cc1 ZINC000245309964 568914640 /nfs/dbraw/zinc/91/46/40/568914640.db2.gz GLDJGQKHZDOVER-SJBKTWHCSA-N 0 0 437.503 4.098 50 0 IIAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000245326013 568915018 /nfs/dbraw/zinc/91/50/18/568915018.db2.gz IOKLKWPWAMGOPM-WXFUMESZSA-N 0 0 443.503 4.312 50 0 IIAARN O=C(Cn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000016489350 568918165 /nfs/dbraw/zinc/91/81/65/568918165.db2.gz XUSFAYMOYPETLD-PXLXIMEGSA-N 0 0 436.471 4.377 50 0 IIAARN CCOC(=O)C1CCN([C@H](c2c3c(sc2NC(C)=O)CCCC3)c2cccnc2)CC1 ZINC000054105802 568918555 /nfs/dbraw/zinc/91/85/55/568918555.db2.gz WTPQRRJWDXJHDV-QFIPXVFZSA-N 0 0 441.597 4.345 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O ZINC000248214180 568919120 /nfs/dbraw/zinc/91/91/20/568919120.db2.gz FOARPMTZBABSKS-ZJZGAYNASA-N 0 0 428.532 4.253 50 0 IIAARN CCCCc1ccc(C(=O)N(CCCC)CC(=O)N2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000016613290 568925749 /nfs/dbraw/zinc/92/57/49/568925749.db2.gz MBEGOQLIRLGZPW-UHFFFAOYSA-N 0 0 449.595 4.413 50 0 IIAARN CCCCNC(=O)Nc1cccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCCN32)c1 ZINC000016613979 568925933 /nfs/dbraw/zinc/92/59/33/568925933.db2.gz WKLJULJDFLKYRC-IBGZPJMESA-N 0 0 430.574 4.295 50 0 IIAARN CCOC(=O)Nc1ccc2c(CN(C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2c1 ZINC000016624334 568926492 /nfs/dbraw/zinc/92/64/92/568926492.db2.gz LSEJLVQMWRPRNJ-UHFFFAOYSA-N 0 0 437.496 4.049 50 0 IIAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3)c(=O)c12 ZINC000064439093 568928461 /nfs/dbraw/zinc/92/84/61/568928461.db2.gz VSJUVGUVQIDPSN-UHFFFAOYSA-N 0 0 443.488 4.122 50 0 IIAARN CC(C)C(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450813 568928785 /nfs/dbraw/zinc/92/87/85/568928785.db2.gz QOHJUZZCPRHQOY-UHFFFAOYSA-N 0 0 444.580 4.112 50 0 IIAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(c3ccccc3O)CC1)oc1ccccc12 ZINC000089518885 568928959 /nfs/dbraw/zinc/92/89/59/568928959.db2.gz SFHFJAQQFABYTB-KRWDZBQOSA-N 0 0 445.519 4.449 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc(OC)c1 ZINC000064452502 568929390 /nfs/dbraw/zinc/92/93/90/568929390.db2.gz MKAXTEFCYCOPBM-GOSISDBHSA-N 0 0 448.523 4.450 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064473384 568930295 /nfs/dbraw/zinc/93/02/95/568930295.db2.gz WCHSNNDJFJZDRF-UHFFFAOYSA-N 0 0 443.551 4.223 50 0 IIAARN Cc1ccc(CNC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000064473171 568930382 /nfs/dbraw/zinc/93/03/82/568930382.db2.gz JSZGXJVJBWMZJV-UHFFFAOYSA-N 0 0 431.515 4.357 50 0 IIAARN COc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064558060 568931887 /nfs/dbraw/zinc/93/18/87/568931887.db2.gz IGFVGRLSMVHIQL-JOCHJYFZSA-N 0 0 449.528 4.331 50 0 IIAARN O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(F)cc2)C1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064558546 568932357 /nfs/dbraw/zinc/93/23/57/568932357.db2.gz KLSOOKCYCGYRPT-GOSISDBHSA-N 0 0 447.871 4.399 50 0 IIAARN Cc1ccc(NC(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c(C)c1 ZINC000064566459 568932679 /nfs/dbraw/zinc/93/26/79/568932679.db2.gz CEOBGZXLERSGRM-UHFFFAOYSA-N 0 0 442.523 4.268 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000064566053 568932806 /nfs/dbraw/zinc/93/28/06/568932806.db2.gz RAIHFEDKSIBBHP-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1ccc(Cl)cc1-n1ccn2c(SCC(=O)c3cccc(Cl)c3)nnc2c1=O ZINC000064593781 568936053 /nfs/dbraw/zinc/93/60/53/568936053.db2.gz UMQPQUYUDWVWGA-UHFFFAOYSA-N 0 0 445.331 4.470 50 0 IIAARN Cc1cccc(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c1 ZINC000064593858 568936232 /nfs/dbraw/zinc/93/62/32/568936232.db2.gz IKRVJRAQFTVTML-UHFFFAOYSA-N 0 0 427.327 4.243 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C3 ZINC000100792136 568936545 /nfs/dbraw/zinc/93/65/45/568936545.db2.gz ROGAPRJVRIWULF-HXUWFJFHSA-N 0 0 444.318 4.174 50 0 biogenic IIAARN Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccncc1 ZINC000089545056 568936956 /nfs/dbraw/zinc/93/69/56/568936956.db2.gz SOUIAWMAEYWTQQ-JSGCOSHPSA-N 0 0 447.322 4.305 50 0 IIAARN COc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000027025250 568939242 /nfs/dbraw/zinc/93/92/42/568939242.db2.gz RMKYNCOPZGCFPR-FQEVSTJZSA-N 0 0 449.894 4.345 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000064605356 568939705 /nfs/dbraw/zinc/93/97/05/568939705.db2.gz MFZUEUGVOFCPIF-INIZCTEOSA-N 0 0 436.487 4.152 50 0 IIAARN CCc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000064611393 568940032 /nfs/dbraw/zinc/94/00/32/568940032.db2.gz IZVOXPAMEXVSDV-RXFWQSSRSA-N 0 0 433.596 4.038 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(-c2cccc(C)c2)n1 ZINC000002064035 568941240 /nfs/dbraw/zinc/94/12/40/568941240.db2.gz UPFUQINPNFRDGY-UHFFFAOYSA-N 0 0 430.555 4.366 50 0 IIAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)NC4CCCC4)CC2)nc3=O)c1 ZINC000064611787 568941593 /nfs/dbraw/zinc/94/15/93/568941593.db2.gz VUKQSACZVYPJHL-UHFFFAOYSA-N 0 0 436.581 4.235 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000064665385 568942755 /nfs/dbraw/zinc/94/27/55/568942755.db2.gz KMBYUVWLXANRPR-UHFFFAOYSA-N 0 0 430.842 4.113 50 0 IIAARN CC[C@@H](C)NC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704175 568944505 /nfs/dbraw/zinc/94/45/05/568944505.db2.gz BLRFKJPCJGURPD-CYBMUJFWSA-N 0 0 432.569 4.158 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083588 568947221 /nfs/dbraw/zinc/94/72/21/568947221.db2.gz GFABCVWVLRMLJN-QHCPKHFHSA-N 0 0 436.508 4.098 50 0 IIAARN Cc1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2n1CCC(=O)NC1CCCCC1 ZINC000064748066 568950566 /nfs/dbraw/zinc/95/05/66/568950566.db2.gz XRHSRLAWKWLNSJ-UHFFFAOYSA-N 0 0 432.568 4.422 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)ccc1F ZINC000064754657 568950981 /nfs/dbraw/zinc/95/09/81/568950981.db2.gz INQJVKCRBAZUAN-SFHVURJKSA-N 0 0 431.467 4.378 50 0 IIAARN COc1ccc(CN(Cc2ccccc2F)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095351 568951353 /nfs/dbraw/zinc/95/13/53/568951353.db2.gz VEWGSNUDYCIUHN-OAQYLSRUSA-N 0 0 425.500 4.285 50 0 IIAARN CCCN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006695419 568952477 /nfs/dbraw/zinc/95/24/77/568952477.db2.gz KCJTWPUSAQKSGN-UHFFFAOYSA-N 0 0 426.561 4.344 50 0 IIAARN CCCN(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000006696213 568952721 /nfs/dbraw/zinc/95/27/21/568952721.db2.gz AFOQMJYXJWMMPE-JOCHJYFZSA-N 0 0 425.573 4.270 50 0 IIAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)CC(C)C)cs2)c1C ZINC000036107129 568953945 /nfs/dbraw/zinc/95/39/45/568953945.db2.gz LOYBBEWTHCVPET-UHFFFAOYSA-N 0 0 445.629 4.046 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O ZINC000064775509 568954728 /nfs/dbraw/zinc/95/47/28/568954728.db2.gz IHQDSRDIYCRMNU-NSHDSACASA-N 0 0 432.354 4.032 50 0 IIAARN CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776115 568955058 /nfs/dbraw/zinc/95/50/58/568955058.db2.gz KAFNMUCQPRERBZ-HSZRJFAPSA-N 0 0 442.563 4.321 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C1CC1 ZINC000036118693 568955929 /nfs/dbraw/zinc/95/59/29/568955929.db2.gz ONDHWKMHLSSLFH-FQEVSTJZSA-N 0 0 426.582 4.271 50 0 IIAARN COc1ccc(CNC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000064787979 568956309 /nfs/dbraw/zinc/95/63/09/568956309.db2.gz UYCDBYKXJJDCSO-UHFFFAOYSA-N 0 0 425.897 4.015 50 0 IIAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)N[C@H](C)c4ccc(Cl)cc4)n3)cc2c1 ZINC000064789989 568957131 /nfs/dbraw/zinc/95/71/31/568957131.db2.gz IXHFDLUHIIDRMT-CQSZACIVSA-N 0 0 436.899 4.350 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000036120744 568957557 /nfs/dbraw/zinc/95/75/57/568957557.db2.gz NKKJRJLFKRADTE-HXUWFJFHSA-N 0 0 432.561 4.287 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)=O ZINC000036121129 568957683 /nfs/dbraw/zinc/95/76/83/568957683.db2.gz OMUMOAGRRMHIHZ-IERDGZPVSA-N 0 0 432.561 4.287 50 0 IIAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C1CC1 ZINC000036121830 568958011 /nfs/dbraw/zinc/95/80/11/568958011.db2.gz IATVCNMIUZLWAX-OAQYLSRUSA-N 0 0 440.609 4.456 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)C ZINC000036123134 568958559 /nfs/dbraw/zinc/95/85/59/568958559.db2.gz YYTUDMONHWSLHV-HXUWFJFHSA-N 0 0 447.576 4.222 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)N3CCCCCC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791579 568959089 /nfs/dbraw/zinc/95/90/89/568959089.db2.gz OJICKYPMDMCUKN-UHFFFAOYSA-N 0 0 427.512 4.255 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2cccc(F)c2)cc1 ZINC000064792830 568959417 /nfs/dbraw/zinc/95/94/17/568959417.db2.gz VZRRDLAYFNZIRX-QHCPKHFHSA-N 0 0 440.482 4.210 50 0 IIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3ccccc3C)c3nnnn32)cc1 ZINC000064793133 568959497 /nfs/dbraw/zinc/95/94/97/568959497.db2.gz IXGGYOWVMNBJEN-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1OC ZINC000064797957 568960454 /nfs/dbraw/zinc/96/04/54/568960454.db2.gz YELBGKSIEGVWNJ-INIZCTEOSA-N 0 0 443.546 4.462 50 0 IIAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064798613 568960547 /nfs/dbraw/zinc/96/05/47/568960547.db2.gz HMHCRNODAFZSRB-KRWDZBQOSA-N 0 0 443.546 4.381 50 0 IIAARN Cc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064815731 568963521 /nfs/dbraw/zinc/96/35/21/568963521.db2.gz IASSGWMFHHWZQR-XMMPIXPASA-N 0 0 434.565 4.398 50 0 IIAARN CCOc1ccc(-c2nc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)c(C)o2)cc1 ZINC000064817870 568964834 /nfs/dbraw/zinc/96/48/34/568964834.db2.gz RDCHJMWHVZGNPU-UHFFFAOYSA-N 0 0 436.917 4.189 50 0 IIAARN Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000064816236 568965117 /nfs/dbraw/zinc/96/51/17/568965117.db2.gz BKSVNACXSHBDRM-VWLOTQADSA-N 0 0 432.524 4.238 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccccc3F)ccc2c(=O)n1-c1ccccc1 ZINC000064819554 568966561 /nfs/dbraw/zinc/96/65/61/568966561.db2.gz KOTCDUVKUHIUSK-UHFFFAOYSA-N 0 0 444.510 4.301 50 0 IIAARN COCCN1c2ccccc2[C@]2(SCCN2C(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000036163388 568967745 /nfs/dbraw/zinc/96/77/45/568967745.db2.gz WWLGERNICGGFSN-QHCPKHFHSA-N 0 0 425.554 4.237 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3cccs3)C2=O)c1 ZINC000036164614 568968016 /nfs/dbraw/zinc/96/80/16/568968016.db2.gz ZZRWMHXZBHALOV-HSZRJFAPSA-N 0 0 436.558 4.346 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C)cc1 ZINC000036166003 568968292 /nfs/dbraw/zinc/96/82/92/568968292.db2.gz OFCOSZNMXNMTLC-XMMPIXPASA-N 0 0 434.517 4.185 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1cccc(F)c1 ZINC000036166252 568968465 /nfs/dbraw/zinc/96/84/65/568968465.db2.gz KYAIWXHDDDRKRS-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000064837691 568969477 /nfs/dbraw/zinc/96/94/77/568969477.db2.gz WYJVVXDWZLFHMU-UHFFFAOYSA-N 0 0 431.945 4.123 50 0 IIAARN O=C(CN1CCOCC1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000169620844 568969953 /nfs/dbraw/zinc/96/99/53/568969953.db2.gz VIULQMBZPBNPFF-LQQVPINVSA-N 0 0 427.595 4.265 50 0 IIAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c3noc(C)c32)cc1 ZINC000064842571 568970874 /nfs/dbraw/zinc/97/08/74/568970874.db2.gz ZGTRNOOFHNFZKT-UHFFFAOYSA-N 0 0 432.480 4.131 50 0 IIAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c1 ZINC000064844415 568971702 /nfs/dbraw/zinc/97/17/02/568971702.db2.gz IZURRLGFMFAVBN-KRWDZBQOSA-N 0 0 434.515 4.385 50 0 IIAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)cc1 ZINC000064859511 568972440 /nfs/dbraw/zinc/97/24/40/568972440.db2.gz KPVYSWAZHVHDLL-UHFFFAOYSA-N 0 0 441.531 4.124 50 0 IIAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000064862058 568973881 /nfs/dbraw/zinc/97/38/81/568973881.db2.gz SIICARSSSOOHFS-UHFFFAOYSA-N 0 0 447.988 4.223 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1F ZINC000064862273 568974097 /nfs/dbraw/zinc/97/40/97/568974097.db2.gz HGALOURSCVGWAZ-UHFFFAOYSA-N 0 0 431.533 4.340 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)cc1Cl ZINC000064866559 568974701 /nfs/dbraw/zinc/97/47/01/568974701.db2.gz IFTPSWAIQPWXDB-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000064866946 568974789 /nfs/dbraw/zinc/97/47/89/568974789.db2.gz LAUROBPKEZIVQM-UHFFFAOYSA-N 0 0 446.500 4.217 50 0 IIAARN Cc1ccsc1CCNC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867364 568975140 /nfs/dbraw/zinc/97/51/40/568975140.db2.gz LQEFLXIPBSSOJH-UHFFFAOYSA-N 0 0 446.594 4.159 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3c4ccccc4C[C@@H]3C)c2)c1C ZINC000064867299 568975217 /nfs/dbraw/zinc/97/52/17/568975217.db2.gz UPNIYUZLYJWTIF-INIZCTEOSA-N 0 0 438.549 4.408 50 0 IIAARN COc1ccccc1NC(=O)N1CCc2nc(-c3ccc(OC)c(OC)c3)sc2C1 ZINC000064868071 568975438 /nfs/dbraw/zinc/97/54/38/568975438.db2.gz SMIWCJPGVWNGKO-UHFFFAOYSA-N 0 0 425.510 4.426 50 0 IIAARN CCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036215340 568977410 /nfs/dbraw/zinc/97/74/10/568977410.db2.gz XMUKGLKTPKTCFQ-RTWAWAEBSA-N 0 0 441.503 4.009 50 0 IIAARN CCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCC(C)C)c1 ZINC000036219111 568977604 /nfs/dbraw/zinc/97/76/04/568977604.db2.gz VYGLEATZUUSWMG-DHIUTWEWSA-N 0 0 437.540 4.178 50 0 IIAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000064872586 568978081 /nfs/dbraw/zinc/97/80/81/568978081.db2.gz OOXLKFIOUAXHMZ-UHFFFAOYSA-N 0 0 430.552 4.465 50 0 IIAARN COc1cccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)c1 ZINC000064873360 568978229 /nfs/dbraw/zinc/97/82/29/568978229.db2.gz JJYSKJCBPIXHSX-UHFFFAOYSA-N 0 0 445.450 4.212 50 0 IIAARN O=C(NC1CCCCCC1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873377 568978288 /nfs/dbraw/zinc/97/82/88/568978288.db2.gz RUELRIYAQHWTJH-UHFFFAOYSA-N 0 0 435.499 4.403 50 0 IIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)n2)cc1 ZINC000064873343 568978296 /nfs/dbraw/zinc/97/82/96/568978296.db2.gz YJOVCDUVQDJYFM-UHFFFAOYSA-N 0 0 441.487 4.381 50 0 IIAARN O=C(NCCc1ccco1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000064873194 568978299 /nfs/dbraw/zinc/97/82/99/568978299.db2.gz JDDWKGCMFDBJRK-UHFFFAOYSA-N 0 0 449.894 4.030 50 0 IIAARN Cc1ccccc1CNC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873486 568978440 /nfs/dbraw/zinc/97/84/40/568978440.db2.gz QSEVORCQAMKAQH-UHFFFAOYSA-N 0 0 443.478 4.189 50 0 IIAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000064888161 568979308 /nfs/dbraw/zinc/97/93/08/568979308.db2.gz XKZANABYPFOCLP-UHFFFAOYSA-N 0 0 439.968 4.453 50 0 IIAARN Cc1ccc(C(=O)NCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1 ZINC000064890495 568981294 /nfs/dbraw/zinc/98/12/94/568981294.db2.gz BQSRMNIKDXHROQ-UHFFFAOYSA-N 0 0 443.507 4.108 50 0 IIAARN COc1cc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)cc(OC)c1OC ZINC000064891358 568981374 /nfs/dbraw/zinc/98/13/74/568981374.db2.gz LFHSNUGUVHNQAP-UHFFFAOYSA-N 0 0 436.468 4.188 50 0 IIAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247865 568982495 /nfs/dbraw/zinc/98/24/95/568982495.db2.gz ZQTZPRUNKDSDCP-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN CC(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000006775841 568983622 /nfs/dbraw/zinc/98/36/22/568983622.db2.gz MTYGPZUMDCPWOP-OAQYLSRUSA-N 0 0 430.980 4.292 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928538 568987657 /nfs/dbraw/zinc/98/76/57/568987657.db2.gz BCGRFWCRGAQALT-INIZCTEOSA-N 0 0 440.906 4.189 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000064929958 568988235 /nfs/dbraw/zinc/98/82/35/568988235.db2.gz LTFHOJSVBORFKS-QGZVFWFLSA-N 0 0 442.928 4.430 50 0 IIAARN COc1cc(CCC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc(OC)c1OC ZINC000064929662 568988365 /nfs/dbraw/zinc/98/83/65/568988365.db2.gz SLBSEOHBQOUVMG-UHFFFAOYSA-N 0 0 447.535 4.093 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930084 568988391 /nfs/dbraw/zinc/98/83/91/568988391.db2.gz MYXPVCUBOBISQZ-IBGZPJMESA-N 0 0 436.537 4.014 50 0 IIAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930083 568988407 /nfs/dbraw/zinc/98/84/07/568988407.db2.gz LGGOGYJSQSIUJS-LJQANCHMSA-N 0 0 436.537 4.014 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930334 568988672 /nfs/dbraw/zinc/98/86/72/568988672.db2.gz RNLNNUAXFGLOBM-MRXNPFEDSA-N 0 0 441.488 4.307 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930556 568989060 /nfs/dbraw/zinc/98/90/60/568989060.db2.gz OYCXKCNXAYWLJR-SFHVURJKSA-N 0 0 437.525 4.476 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681176 568991668 /nfs/dbraw/zinc/99/16/68/568991668.db2.gz NDOWIMYJLULFFM-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000064942707 568992131 /nfs/dbraw/zinc/99/21/31/568992131.db2.gz PUKMERBAOWTWKT-UHFFFAOYSA-N 0 0 431.311 4.238 50 0 IIAARN CCOC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)CC ZINC000169681771 568992614 /nfs/dbraw/zinc/99/26/14/568992614.db2.gz MEDXIJAZHCJOLO-PZJWPPBQSA-N 0 0 428.573 4.211 50 0 IIAARN C=Cc1ccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(CC)cc3)c2=O)cc1 ZINC000064946564 568993645 /nfs/dbraw/zinc/99/36/45/568993645.db2.gz OZIUUTSCGBBSRA-UHFFFAOYSA-N 0 0 442.544 4.174 50 0 IIAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304025 568994293 /nfs/dbraw/zinc/99/42/93/568994293.db2.gz WAULJOMWHKSQDN-FQEVSTJZSA-N 0 0 445.510 4.471 50 0 IIAARN CC(C)c1nnc2c(SCC(=O)NCc3ccc(Cl)cc3)nc3ccccc3n21 ZINC000064949274 568995017 /nfs/dbraw/zinc/99/50/17/568995017.db2.gz BJXASZQGDGJYRY-UHFFFAOYSA-N 0 0 425.945 4.463 50 0 IIAARN CCN(CCNC(=O)[C@@H](C)N1c2ccccc2SC(C)(C)CC1=O)c1ccccc1 ZINC000006803963 568996253 /nfs/dbraw/zinc/99/62/53/568996253.db2.gz NDVGOFHSFMUBOE-GOSISDBHSA-N 0 0 425.598 4.325 50 0 IIAARN COc1cccc(Cn2ncc3ccc(C(=O)NCc4cc(OC)cc(OC)c4)cc32)c1 ZINC000064955782 568998742 /nfs/dbraw/zinc/99/87/42/568998742.db2.gz KEVOFUXNNZPYRQ-UHFFFAOYSA-N 0 0 431.492 4.040 50 0 IIAARN CC(C)(C)c1ccc2oc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc2c1 ZINC000064957217 568999464 /nfs/dbraw/zinc/99/94/64/568999464.db2.gz QUZZXXDKFJSMIZ-UHFFFAOYSA-N 0 0 447.988 4.285 50 0 IIAARN CCOc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccccc3OC)oc2C)c1C ZINC000064967650 569001372 /nfs/dbraw/zinc/00/13/72/569001372.db2.gz HFYLUKXWPZLEJP-UHFFFAOYSA-N 0 0 447.495 4.258 50 0 IIAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(OC)ccc4OC)cc3o2)cc1 ZINC000064968457 569076105 /nfs/dbraw/zinc/07/61/05/569076105.db2.gz ASUDDCIAKVFHDI-UHFFFAOYSA-N 0 0 432.476 4.374 50 0 IIAARN CC[C@@H](C(=O)NCc1ccccc1Cl)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970831 569076377 /nfs/dbraw/zinc/07/63/77/569076377.db2.gz RQMIZEYVMNLIBU-FQEVSTJZSA-N 0 0 449.942 4.120 50 0 IIAARN O=C(Nc1cccc(F)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064972160 569076797 /nfs/dbraw/zinc/07/67/97/569076797.db2.gz FMDWFPDUXYWVDA-NRFANRHFSA-N 0 0 444.915 4.233 50 0 IIAARN Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1C ZINC000064972254 569076897 /nfs/dbraw/zinc/07/68/97/569076897.db2.gz JDVAXYKRBJEMRW-QHCPKHFHSA-N 0 0 438.524 4.197 50 0 IIAARN O=C(Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1 ZINC000064976674 569077173 /nfs/dbraw/zinc/07/71/73/569077173.db2.gz SGIDYDAJBPIZDF-UHFFFAOYSA-N 0 0 429.860 4.380 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000064976989 569077386 /nfs/dbraw/zinc/07/73/86/569077386.db2.gz OJGUEYCWGAGDOM-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)c(C)c2)c(C)n3C)c1 ZINC000064977678 569077612 /nfs/dbraw/zinc/07/76/12/569077612.db2.gz LKFYKKIWSYYBAO-UHFFFAOYSA-N 0 0 444.535 4.205 50 0 IIAARN CCN1c2ccc(NC(=O)[C@H](C)NC(=O)c3ccco3)cc2Sc2ccccc2C1=O ZINC000064979724 569078263 /nfs/dbraw/zinc/07/82/63/569078263.db2.gz IUCHHUKEIWUYBV-AWEZNQCLSA-N 0 0 435.505 4.168 50 0 IIAARN O=C(CNC(=O)c1cccs1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064979788 569078310 /nfs/dbraw/zinc/07/83/10/569078310.db2.gz CIBDDDMSNOEVMY-UHFFFAOYSA-N 0 0 449.557 4.390 50 0 IIAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCCC2)c1 ZINC000036344359 569080080 /nfs/dbraw/zinc/08/00/80/569080080.db2.gz JBZPABTVFYOWMO-DEOSSOPVSA-N 0 0 435.568 4.484 50 0 IIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344595 569080313 /nfs/dbraw/zinc/08/03/13/569080313.db2.gz LXQNCIJZYOUMJW-RUZDIDTESA-N 0 0 447.579 4.256 50 0 IIAARN CC(C)CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985621 569081987 /nfs/dbraw/zinc/08/19/87/569081987.db2.gz DXAWDAGJYJZPLL-QFIPXVFZSA-N 0 0 444.597 4.103 50 0 IIAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)Nc1ccccc1F ZINC000064987151 569082605 /nfs/dbraw/zinc/08/26/05/569082605.db2.gz ICBMZLPYQZWKNX-UHFFFAOYSA-N 0 0 440.500 4.311 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O)C1CCCCC1 ZINC000064987673 569082700 /nfs/dbraw/zinc/08/27/00/569082700.db2.gz REUIYKGIWQRKCX-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN COc1ccccc1-c1nnc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)o1 ZINC000064987952 569082819 /nfs/dbraw/zinc/08/28/19/569082819.db2.gz ZLKQVNRVIHALMK-UHFFFAOYSA-N 0 0 433.917 4.240 50 0 IIAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000064988880 569082907 /nfs/dbraw/zinc/08/29/07/569082907.db2.gz WBHBQEMOICGMDH-UHFFFAOYSA-N 0 0 428.483 4.207 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)c(OC)c1 ZINC000064989401 569083028 /nfs/dbraw/zinc/08/30/28/569083028.db2.gz JNEJIYOTEATMNU-UHFFFAOYSA-N 0 0 432.524 4.081 50 0 IIAARN COc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@H](C)C3)cc1 ZINC000064990202 569083235 /nfs/dbraw/zinc/08/32/35/569083235.db2.gz NCBHMIKZXPJRSU-QGZVFWFLSA-N 0 0 430.504 4.225 50 0 biogenic IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccc(C)cc4)ccc3C[C@H]2C)cc1 ZINC000064990186 569083237 /nfs/dbraw/zinc/08/32/37/569083237.db2.gz IONWQAHYIFFWGC-LJQANCHMSA-N 0 0 428.532 4.454 50 0 IIAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cc2N1C(=O)c1ccccc1 ZINC000064990642 569083341 /nfs/dbraw/zinc/08/33/41/569083341.db2.gz AURIUVHGAHZSPC-MRXNPFEDSA-N 0 0 429.476 4.328 50 0 IIAARN CC(C)CNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000006833433 569084360 /nfs/dbraw/zinc/08/43/60/569084360.db2.gz JDTKXSPSCKEDQH-GFBDMGBSSA-N 0 0 426.479 4.225 50 0 IIAARN Cc1ccc(-n2cc3c(c(C(=O)NCc4ccccc4F)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000530 569086073 /nfs/dbraw/zinc/08/60/73/569086073.db2.gz UOKVZXVJUWKDBU-UHFFFAOYSA-N 0 0 432.495 4.370 50 0 IIAARN CCn1c(CN(C)C(=O)Nc2ccc(F)c(Cl)c2)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008259 569087388 /nfs/dbraw/zinc/08/73/88/569087388.db2.gz LUYGUQYMVNLYCU-UHFFFAOYSA-N 0 0 431.899 4.214 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000065007184 569087635 /nfs/dbraw/zinc/08/76/35/569087635.db2.gz GSRDVGZSVKCMCT-UHFFFAOYSA-N 0 0 432.561 4.170 50 0 IIAARN Cc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)cc1Cl ZINC000065008506 569087699 /nfs/dbraw/zinc/08/76/99/569087699.db2.gz TXOLPZJJWWGNTN-UHFFFAOYSA-N 0 0 427.936 4.337 50 0 IIAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)c1 ZINC000065007700 569087788 /nfs/dbraw/zinc/08/77/88/569087788.db2.gz QSJFKYOGHOUZJM-UHFFFAOYSA-N 0 0 441.894 4.299 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1OC ZINC000065023175 569089242 /nfs/dbraw/zinc/08/92/42/569089242.db2.gz RGWHPWUKNWZJJD-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)CC)cc2)CC1 ZINC000065026826 569090034 /nfs/dbraw/zinc/09/00/34/569090034.db2.gz MFXIDLAHGMPVBR-UHFFFAOYSA-N 0 0 434.536 4.068 50 0 IIAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c(OC)c1 ZINC000065025769 569090790 /nfs/dbraw/zinc/09/07/90/569090790.db2.gz IRFKTLPPLWJRAD-UHFFFAOYSA-N 0 0 432.524 4.081 50 0 IIAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)Nc1ccccc1Cl ZINC000065025823 569090798 /nfs/dbraw/zinc/09/07/98/569090798.db2.gz POKPHCHPYFRCHY-UHFFFAOYSA-N 0 0 439.972 4.187 50 0 IIAARN CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccn4)CC3)CCCCC2)cc1 ZINC000065027497 569091138 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CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3N)c(C)o2)cc1 ZINC000065113658 569108485 /nfs/dbraw/zinc/10/84/85/569108485.db2.gz CHOFFBMZHOLIJJ-UHFFFAOYSA-N 0 0 446.511 4.140 50 0 IIAARN O=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000036437847 569109388 /nfs/dbraw/zinc/10/93/88/569109388.db2.gz OFJBXOZADDEIGX-UHFFFAOYSA-N 0 0 445.538 4.131 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1C ZINC000065138294 569110575 /nfs/dbraw/zinc/11/05/75/569110575.db2.gz XDUNNRLEFBUHPM-QGZVFWFLSA-N 0 0 432.480 4.363 50 0 IIAARN COc1ccc(Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)cc1OC ZINC000065134802 569110840 /nfs/dbraw/zinc/11/08/40/569110840.db2.gz SKJQHWPMGQCFBH-UHFFFAOYSA-N 0 0 430.440 4.133 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000036447683 569110872 /nfs/dbraw/zinc/11/08/72/569110872.db2.gz YKURUXMUXCJDSH-SANMLTNESA-N 0 0 446.503 4.019 50 0 IIAARN COc1ccc(C2(C(=O)N3CCC[C@@H](c4noc(-c5cccc(OC)c5)n4)C3)CC2)cc1 ZINC000065149468 569110962 /nfs/dbraw/zinc/11/09/62/569110962.db2.gz KDLCIMCIXXUAGR-GOSISDBHSA-N 0 0 433.508 4.192 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1 ZINC000065154062 569112230 /nfs/dbraw/zinc/11/22/30/569112230.db2.gz RGAOMRLOSKFOEE-UHFFFAOYSA-N 0 0 428.423 4.384 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)c1 ZINC000065171721 569113360 /nfs/dbraw/zinc/11/33/60/569113360.db2.gz BFGZLZBBVFVMHK-UHFFFAOYSA-N 0 0 432.524 4.081 50 0 IIAARN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000065180154 569113767 /nfs/dbraw/zinc/11/37/67/569113767.db2.gz AILMOSBSEBKAFH-UHFFFAOYSA-N 0 0 430.907 4.303 50 0 IIAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)cc1)N1CCCC1 ZINC000065178777 569114485 /nfs/dbraw/zinc/11/44/85/569114485.db2.gz KPFOZKSWJTUNIE-KRWDZBQOSA-N 0 0 428.479 4.132 50 0 IIAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)Cc4cccs4)C3)cc2)CC1 ZINC000065178937 569114657 /nfs/dbraw/zinc/11/46/57/569114657.db2.gz QHMJKUBTTHFAJN-HXUWFJFHSA-N 0 0 440.609 4.480 50 0 IIAARN Cc1c(-c2nnc(C3CCC3)o2)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)n1C ZINC000065194188 569114706 /nfs/dbraw/zinc/11/47/06/569114706.db2.gz ODWBXPOTPAHUJB-UHFFFAOYSA-N 0 0 434.949 4.091 50 0 IIAARN CCOc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199020 569115067 /nfs/dbraw/zinc/11/50/67/569115067.db2.gz OOQUJDPPVDGKSS-UHFFFAOYSA-N 0 0 436.537 4.140 50 0 IIAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccc(Cl)cc4)cs3)CC2)c1 ZINC000065211581 569116681 /nfs/dbraw/zinc/11/66/81/569116681.db2.gz CTDDAGGTXZLYQT-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN Cc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2ccccc2Cl)s1 ZINC000065217358 569117021 /nfs/dbraw/zinc/11/70/21/569117021.db2.gz QQZHEQUJJOQNJW-UHFFFAOYSA-N 0 0 432.958 4.039 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1ccc2ccn(Cc3ccccc3F)c2c1=O ZINC000065220372 569117247 /nfs/dbraw/zinc/11/72/47/569117247.db2.gz QUHOZVSPGSXPNB-UHFFFAOYSA-N 0 0 439.874 4.291 50 0 IIAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc2C1=O ZINC000065241567 569118844 /nfs/dbraw/zinc/11/88/44/569118844.db2.gz WPLQULAMWVWRLU-UHFFFAOYSA-N 0 0 427.457 4.102 50 0 IIAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1=O ZINC000065241569 569118926 /nfs/dbraw/zinc/11/89/26/569118926.db2.gz OCHPWNDIXFXLAJ-UHFFFAOYSA-N 0 0 429.885 4.308 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cc1nc(C)c(C(=O)NCc2ccc(F)cc2)s1 ZINC000065232996 569119076 /nfs/dbraw/zinc/11/90/76/569119076.db2.gz WMMQPSRROUSOGU-UHFFFAOYSA-N 0 0 427.501 4.019 50 0 IIAARN CCN1c2ccc(C(=O)NCc3ccc(OC)cc3OC)cc2Sc2ncccc2C1=O ZINC000065241358 569120968 /nfs/dbraw/zinc/12/09/68/569120968.db2.gz IISNVVODTILFNI-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)Sc1ncccc1C(=O)N2C1CC1 ZINC000065241490 569120996 /nfs/dbraw/zinc/12/09/96/569120996.db2.gz UJARGDRFAYKXHC-UHFFFAOYSA-N 0 0 445.500 4.014 50 0 IIAARN Cc1c(C(=O)NCc2cccc(Cl)c2)cnn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000065251206 569122103 /nfs/dbraw/zinc/12/21/03/569122103.db2.gz HCXMGJUHWDFQTC-UHFFFAOYSA-N 0 0 434.887 4.087 50 0 IIAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 ZINC000065251537 569122440 /nfs/dbraw/zinc/12/24/40/569122440.db2.gz XJYHDMNWYXKYCJ-HNNXBMFYSA-N 0 0 430.512 4.414 50 0 IIAARN Cc1c(C(=O)NCc2cccc(Cl)c2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000065254258 569122544 /nfs/dbraw/zinc/12/25/44/569122544.db2.gz IVRIEIAZNBZASZ-UHFFFAOYSA-N 0 0 436.903 4.333 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c12 ZINC000036615813 569122665 /nfs/dbraw/zinc/12/26/65/569122665.db2.gz QXPJSPHRNZCFRK-UHFFFAOYSA-N 0 0 449.518 4.498 50 0 IIAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)c3c(C)noc3n2)cc1 ZINC000036614054 569123945 /nfs/dbraw/zinc/12/39/45/569123945.db2.gz JNGUUDYEPSMEHY-UHFFFAOYSA-N 0 0 448.548 4.226 50 0 IIAARN CCN(Cc1cn(CC)nc1C)C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c21 ZINC000036614202 569124080 /nfs/dbraw/zinc/12/40/80/569124080.db2.gz BTYDHCRPYWNSCB-UHFFFAOYSA-N 0 0 433.512 4.394 50 0 IIAARN CCN1c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2Sc2ncccc2C1=O ZINC000065258494 569124435 /nfs/dbraw/zinc/12/44/35/569124435.db2.gz WCDUQPYVDHGERO-UHFFFAOYSA-N 0 0 435.505 4.482 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)sc12 ZINC000065297139 569131708 /nfs/dbraw/zinc/13/17/08/569131708.db2.gz QAVUNNBPYOXMNF-UHFFFAOYSA-N 0 0 437.956 4.406 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)Cc4cccc(F)c4)CC3)sc12 ZINC000065297091 569131716 /nfs/dbraw/zinc/13/17/16/569131716.db2.gz RZNNLEXGMWZIPG-UHFFFAOYSA-N 0 0 449.555 4.129 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)CC2)cc1 ZINC000065297079 569131722 /nfs/dbraw/zinc/13/17/22/569131722.db2.gz CTGWNRFEADILTJ-UHFFFAOYSA-N 0 0 447.564 4.070 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccsc4)CC3)sc12 ZINC000065299665 569132144 /nfs/dbraw/zinc/13/21/44/569132144.db2.gz XMCVPFGUEUAACO-UHFFFAOYSA-N 0 0 441.557 4.390 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCC(NC(=O)c4ccc(F)cc4)CC3)sc12 ZINC000065299875 569132277 /nfs/dbraw/zinc/13/22/77/569132277.db2.gz YJSIFVGEAQFRFG-UHFFFAOYSA-N 0 0 435.528 4.328 50 0 IIAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000065315471 569134019 /nfs/dbraw/zinc/13/40/19/569134019.db2.gz BVVHZYDSJZUYFO-INIZCTEOSA-N 0 0 441.507 4.238 50 0 IIAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)CC1 ZINC000065315434 569134029 /nfs/dbraw/zinc/13/40/29/569134029.db2.gz AQAFBJQRJXZPHC-UHFFFAOYSA-N 0 0 437.544 4.273 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 ZINC000036705286 569134344 /nfs/dbraw/zinc/13/43/44/569134344.db2.gz OKYQRGVEEQFTHP-SFHVURJKSA-N 0 0 443.594 4.014 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)NCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000036700101 569135157 /nfs/dbraw/zinc/13/51/57/569135157.db2.gz MNZYOPXVPUYDNB-NRFANRHFSA-N 0 0 437.367 4.342 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000065315108 569135663 /nfs/dbraw/zinc/13/56/63/569135663.db2.gz RUOMPFIDRLBSBD-UHFFFAOYSA-N 0 0 429.586 4.224 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000065315087 569135750 /nfs/dbraw/zinc/13/57/50/569135750.db2.gz PUNNGXYPXYGPES-UHFFFAOYSA-N 0 0 435.977 4.261 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3nc(-c4cccc(C)c4)no3)CC2=O)cc1 ZINC000065320378 569136142 /nfs/dbraw/zinc/13/61/42/569136142.db2.gz LDJZVANPZWPBPZ-PZJWPPBQSA-N 0 0 430.508 4.070 50 0 IIAARN O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@H](Oc2ccc(Br)cn2)C1 ZINC000238828514 569137228 /nfs/dbraw/zinc/13/72/28/569137228.db2.gz FILUGYJKWQBYPK-AWEZNQCLSA-N 0 0 431.208 4.036 50 0 IIAARN O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238828515 569137229 /nfs/dbraw/zinc/13/72/29/569137229.db2.gz FILUGYJKWQBYPK-CQSZACIVSA-N 0 0 431.208 4.036 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C)c2c[nH]c3ccccc32)cc1 ZINC000036741006 569137323 /nfs/dbraw/zinc/13/73/23/569137323.db2.gz COHWTMRUAPNERF-NRFANRHFSA-N 0 0 439.519 4.398 50 0 IIAARN CCOc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cc1OCC ZINC000036747959 569137519 /nfs/dbraw/zinc/13/75/19/569137519.db2.gz QSTQKTSIYXHCEZ-WZONZLPQSA-N 0 0 426.557 4.424 50 0 IIAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1 ZINC000036847997 569138388 /nfs/dbraw/zinc/13/83/88/569138388.db2.gz JNQGAVPOLYCUQL-DLBZAZTESA-N 0 0 439.585 4.099 50 0 IIAARN O=C(Cn1cc(Br)ccc1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000065520944 569139039 /nfs/dbraw/zinc/13/90/39/569139039.db2.gz CPTRRWFFMMRNSV-QFIPXVFZSA-N 0 0 437.293 4.263 50 0 IIAARN C[C@H](C(=O)N[C@@H](C)c1cccc(Br)c1)N1C(=S)N=NC1c1cccs1 ZINC000065565571 569139421 /nfs/dbraw/zinc/13/94/21/569139421.db2.gz XKHKBOINHGDYIA-WDEREUQCSA-N 0 0 437.388 4.496 50 0 IIAARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000065535206 569139517 /nfs/dbraw/zinc/13/95/17/569139517.db2.gz DUVQRZNYQVYRSZ-SFHVURJKSA-N 0 0 445.445 4.499 50 0 IIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1cccc(SC)c1)C[C@H]1CSCN12 ZINC000037009720 569139579 /nfs/dbraw/zinc/13/95/79/569139579.db2.gz RVMJGUKJMNWUAL-NVVBAYIOSA-N 0 0 439.606 4.004 50 0 biogenic IIAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)no1 ZINC000065575133 569139732 /nfs/dbraw/zinc/13/97/32/569139732.db2.gz NJVKNFUVLVTRSA-UHFFFAOYSA-N 0 0 430.530 4.136 50 0 IIAARN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)Nc1nnc(C2CCCCC2)s1 ZINC000065585323 569139986 /nfs/dbraw/zinc/13/99/86/569139986.db2.gz QAOJHXOZZSIMQU-CQSZACIVSA-N 0 0 444.479 4.166 50 0 IIAARN C[C@@H](Oc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cn1)c1ccccc1 ZINC000065593833 569140078 /nfs/dbraw/zinc/14/00/78/569140078.db2.gz NDBQEEZBBZVWSQ-QGZVFWFLSA-N 0 0 437.521 4.014 50 0 IIAARN C[C@@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000170609177 569144545 /nfs/dbraw/zinc/14/45/45/569144545.db2.gz OMLQRMGYWHDDCQ-AWEZNQCLSA-N 0 0 440.487 4.401 50 0 IIAARN C[C@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000170609178 569144646 /nfs/dbraw/zinc/14/46/46/569144646.db2.gz OMLQRMGYWHDDCQ-CQSZACIVSA-N 0 0 440.487 4.401 50 0 IIAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)c1 ZINC000037276425 569145261 /nfs/dbraw/zinc/14/52/61/569145261.db2.gz QIVHCONSHINMCC-UHFFFAOYSA-N 0 0 427.548 4.324 50 0 IIAARN COc1cccc(NC(=O)N2CCN(c3nc(-c4ccco4)nc4ccccc43)CC2)c1 ZINC000037285090 569145898 /nfs/dbraw/zinc/14/58/98/569145898.db2.gz IRACKVKXCYPDOM-UHFFFAOYSA-N 0 0 429.480 4.253 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccsc3)[C@H](c3ccccc3)C2)c1 ZINC000170612501 569146033 /nfs/dbraw/zinc/14/60/33/569146033.db2.gz MFGPZZYVGQNHEG-FQEVSTJZSA-N 0 0 425.535 4.111 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037281301 569146120 /nfs/dbraw/zinc/14/61/20/569146120.db2.gz FMQLOVPFOHRLKX-RPWUZVMVSA-N 0 0 438.543 4.392 50 0 IIAARN C[C@H](C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)N(C)CC(F)(F)F ZINC000170614555 569146416 /nfs/dbraw/zinc/14/64/16/569146416.db2.gz PBACGFXRMZFZHJ-QGZVFWFLSA-N 0 0 430.474 4.097 50 0 IIAARN CCO[C@H](CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000170615155 569146626 /nfs/dbraw/zinc/14/66/26/569146626.db2.gz HFGOJHAFDMKNOF-WOJBJXKFSA-N 0 0 434.989 4.086 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccsc3)C2)cc1 ZINC000170618391 569147021 /nfs/dbraw/zinc/14/70/21/569147021.db2.gz MYMCKNLCMRJSKR-FQEVSTJZSA-N 0 0 443.525 4.250 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccsc2)c1 ZINC000170618436 569147048 /nfs/dbraw/zinc/14/70/48/569147048.db2.gz DGZZLNNVMPQPQP-NRFANRHFSA-N 0 0 439.562 4.420 50 0 IIAARN COC(=O)c1cc(C)ccc1OC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000170621298 569147547 /nfs/dbraw/zinc/14/75/47/569147547.db2.gz BTTGEYFKQDDYOZ-UHFFFAOYSA-N 0 0 439.537 4.225 50 0 IIAARN CCc1[nH]c(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(C)c1C(=O)OC ZINC000170622650 569147961 /nfs/dbraw/zinc/14/79/61/569147961.db2.gz HVPPCIHCZGCJOG-MRXNPFEDSA-N 0 0 443.302 4.332 50 0 IIAARN O=C(Nc1ccc2c(c1)CC(=O)N2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000170626627 569148765 /nfs/dbraw/zinc/14/87/65/569148765.db2.gz VBFLOKKEPXZDAD-UHFFFAOYSA-N 0 0 438.837 4.104 50 0 IIAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000071011371 569149231 /nfs/dbraw/zinc/14/92/31/569149231.db2.gz MIEGZGPPAVBAHQ-UHFFFAOYSA-N 0 0 428.895 4.230 50 0 IIAARN C[C@@H](Oc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cn1)c1ccccc1 ZINC000071185316 569149381 /nfs/dbraw/zinc/14/93/81/569149381.db2.gz VVNUXSVWWGCPFK-HXUWFJFHSA-N 0 0 431.536 4.330 50 0 IIAARN O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009870243 569149452 /nfs/dbraw/zinc/14/94/52/569149452.db2.gz VQAFXLNDWHGNTC-UHFFFAOYSA-N 0 0 442.512 4.442 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)sc2c1 ZINC000010028539 569151793 /nfs/dbraw/zinc/15/17/93/569151793.db2.gz DLZYROGBHKEUQX-UHFFFAOYSA-N 0 0 426.479 4.114 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(N)cc3)n2-c2ccccc2)cc1 ZINC000010059449 569152218 /nfs/dbraw/zinc/15/22/18/569152218.db2.gz USZDXSKSNNCSKB-UHFFFAOYSA-N 0 0 429.549 4.233 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2NCc2cccc(Cl)c2)cc1 ZINC000010060262 569152435 /nfs/dbraw/zinc/15/24/35/569152435.db2.gz DEGGNJZWDRYSBL-UHFFFAOYSA-N 0 0 439.928 4.151 50 0 IIAARN O=C(Nc1ccccc1F)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119425 569152681 /nfs/dbraw/zinc/15/26/81/569152681.db2.gz XRNPNHODQIFSAM-UHFFFAOYSA-N 0 0 430.888 4.483 50 0 IIAARN O=C(Cn1ncc2ccccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000010220080 569152834 /nfs/dbraw/zinc/15/28/34/569152834.db2.gz MDLXKIFVXSBUTK-FQEVSTJZSA-N 0 0 432.867 4.021 50 0 IIAARN O=C(Nc1ccc2ncsc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010217394 569153282 /nfs/dbraw/zinc/15/32/82/569153282.db2.gz CIAPZWYRPRXZCV-UHFFFAOYSA-N 0 0 441.987 4.051 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4c(C)cccc4C)nc32)cc1 ZINC000013349906 569155295 /nfs/dbraw/zinc/15/52/95/569155295.db2.gz NQTUZUFPMSNXMZ-UHFFFAOYSA-N 0 0 443.532 4.337 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCC1CCCCC1 ZINC000013654781 569156443 /nfs/dbraw/zinc/15/64/43/569156443.db2.gz JNDSAKMXFZNKOU-UHFFFAOYSA-N 0 0 432.567 4.086 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000013708806 569156817 /nfs/dbraw/zinc/15/68/17/569156817.db2.gz ODNOWFKANINHOI-UHFFFAOYSA-N 0 0 429.476 4.029 50 0 IIAARN COc1cccc(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)[C@H](C)C3)ncn2)c1 ZINC000037342151 569159700 /nfs/dbraw/zinc/15/97/00/569159700.db2.gz AWGIWVKCCRAUAH-MRXNPFEDSA-N 0 0 438.915 4.282 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(Cl)ccc3O)[C@H](c3ccco3)C2)cc1 ZINC000089632103 569160280 /nfs/dbraw/zinc/16/02/80/569160280.db2.gz LSMDQFDIGSENSH-IBGZPJMESA-N 0 0 438.867 4.482 50 0 IIAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC(F)F ZINC000016740743 569160819 /nfs/dbraw/zinc/16/08/19/569160819.db2.gz OHWXHVYIROIGDT-LJQANCHMSA-N 0 0 441.438 4.124 50 0 IIAARN COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000089669231 569161098 /nfs/dbraw/zinc/16/10/98/569161098.db2.gz SOUFHZIXYSGGMW-FQEVSTJZSA-N 0 0 429.929 4.316 50 0 IIAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000014663947 569161209 /nfs/dbraw/zinc/16/12/09/569161209.db2.gz PQHXYNOKTWHDNL-UHFFFAOYSA-N 0 0 437.945 4.039 50 0 IIAARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000016837927 569162811 /nfs/dbraw/zinc/16/28/11/569162811.db2.gz ZFPKWXHYWOGHGI-UHFFFAOYSA-N 0 0 435.281 4.104 50 0 IIAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)cc1 ZINC000016838836 569162904 /nfs/dbraw/zinc/16/29/04/569162904.db2.gz AFJFLLYFZVZLJN-UHFFFAOYSA-N 0 0 426.517 4.464 50 0 IIAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(Cn3ccc(C(F)(F)F)n3)on2)cc1 ZINC000089802193 569165103 /nfs/dbraw/zinc/16/51/03/569165103.db2.gz GDUNUHCUQGCDEJ-UHFFFAOYSA-N 0 0 435.406 4.175 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)OCc2nc(-c3ccsc3)no2)cc1 ZINC000016904951 569165674 /nfs/dbraw/zinc/16/56/74/569165674.db2.gz ZCWOKNZCEJPSAN-UHFFFAOYSA-N 0 0 425.466 4.268 50 0 IIAARN O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)C1CCN(c2cnccn2)CC1 ZINC000089878690 569166510 /nfs/dbraw/zinc/16/65/10/569166510.db2.gz MCULHFZMAVNYSD-UHFFFAOYSA-N 0 0 446.942 4.002 50 0 IIAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)nn1 ZINC000016975105 569168628 /nfs/dbraw/zinc/16/86/28/569168628.db2.gz QZEXXZTYNGJKDF-UHFFFAOYSA-N 0 0 443.528 4.318 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983378 569170124 /nfs/dbraw/zinc/17/01/24/569170124.db2.gz DJURONQPGJEVMH-IBGZPJMESA-N 0 0 443.462 4.242 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 ZINC000017011210 569170330 /nfs/dbraw/zinc/17/03/30/569170330.db2.gz XQNFOOBWJYTOLY-UHFFFAOYSA-N 0 0 437.363 4.459 50 0 IIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CCCc4ccccc4)CC3)n2)cc1 ZINC000017012179 569170430 /nfs/dbraw/zinc/17/04/30/569170430.db2.gz VSNNXKHCVWNMDS-UHFFFAOYSA-N 0 0 445.567 4.209 50 0 IIAARN COc1ccc(CN2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)CC2)cc1 ZINC000037357560 569173903 /nfs/dbraw/zinc/17/39/03/569173903.db2.gz GCCJAFDIFQDMOB-UHFFFAOYSA-N 0 0 428.895 4.392 50 0 IIAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccc(Br)cc1 ZINC000017156469 569175110 /nfs/dbraw/zinc/17/51/10/569175110.db2.gz QRIFEDBHMSJFLQ-UHFFFAOYSA-N 0 0 432.318 4.487 50 0 IIAARN O=C(Nc1ccccc1Br)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000002502075 569177266 /nfs/dbraw/zinc/17/72/66/569177266.db2.gz YAGWZEZFDKYWSK-UHFFFAOYSA-N 0 0 437.293 4.371 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002094203 569179076 /nfs/dbraw/zinc/17/90/76/569179076.db2.gz APLBFUCQJIMXLC-YJYMSZOUSA-N 0 0 429.513 4.435 50 0 biogenic IIAARN Cc1ccc(CN2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002095115 569179123 /nfs/dbraw/zinc/17/91/23/569179123.db2.gz ZYMQZIUGZFDEFL-RPLLCQBOSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN C[C@H](C(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1)n1cccn1 ZINC000027126653 569179158 /nfs/dbraw/zinc/17/91/58/569179158.db2.gz CNJALAINHNGWMU-CQSZACIVSA-N 0 0 427.302 4.027 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(Sc4ccccc4Cl)nn3)cc2NC1=O ZINC000170639226 569179642 /nfs/dbraw/zinc/17/96/42/569179642.db2.gz RPVMGEALDZULNO-LLVKDONJSA-N 0 0 426.885 4.253 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)c1 ZINC000002100344 569179715 /nfs/dbraw/zinc/17/97/15/569179715.db2.gz KOBGQMNALPPRKQ-JYFHCDHNSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@@H](C)CC)CC(=O)N12 ZINC000002108963 569181853 /nfs/dbraw/zinc/18/18/53/569181853.db2.gz BNTTYFAVKISXRJ-WZSOFCAESA-N 0 0 431.536 4.050 50 0 biogenic IIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N21 ZINC000002111617 569181999 /nfs/dbraw/zinc/18/19/99/569181999.db2.gz INHSXHCUPIJEBK-NVQXNPDNSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN COc1cccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)c1OC ZINC000002112447 569182077 /nfs/dbraw/zinc/18/20/77/569182077.db2.gz QMQVWVOZXZIEPP-OAHLLOKOSA-N 0 0 431.492 4.309 50 0 biogenic IIAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N12 ZINC000002113579 569182231 /nfs/dbraw/zinc/18/22/31/569182231.db2.gz XKMOKWSXUZCVSO-XUZZJYLKSA-N 0 0 433.939 4.449 50 0 biogenic IIAARN CCCCCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002120519 569183429 /nfs/dbraw/zinc/18/34/29/569183429.db2.gz RFJOVIMCFDDULZ-BKMJKUGQSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002120521 569183468 /nfs/dbraw/zinc/18/34/68/569183468.db2.gz RFJOVIMCFDDULZ-NVQXNPDNSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc(Br)cc3)nc(=O)n1CC2 ZINC000002130709 569184915 /nfs/dbraw/zinc/18/49/15/569184915.db2.gz PLRRKJGTVBNEBK-UHFFFAOYSA-N 0 0 429.270 4.038 50 0 biogenic IIAARN COc1ccc(CCNc2ncnc3c4cc5c(nc4oc32)CC(C)(C)OC5)cc1OC ZINC000002135788 569185360 /nfs/dbraw/zinc/18/53/60/569185360.db2.gz INECOMBYSBKGGQ-UHFFFAOYSA-N 0 0 434.496 4.294 50 0 biogenic IIAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NC[C@@H]1CCCO1)nc2-c1cccc(F)c1 ZINC000037376868 569185617 /nfs/dbraw/zinc/18/56/17/569185617.db2.gz TYGUJFKKHOAVEZ-HNNXBMFYSA-N 0 0 440.429 4.073 50 0 IIAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 ZINC000252478559 569186133 /nfs/dbraw/zinc/18/61/33/569186133.db2.gz APJOARBOLNUMKV-GOSISDBHSA-N 0 0 444.539 4.324 50 0 IIAARN Cc1nc2cc(N(CC(=O)N3CCc4sccc4C3)Cc3cccc(O)c3)ccc2o1 ZINC000252499935 569187957 /nfs/dbraw/zinc/18/79/57/569187957.db2.gz SJMIQRHGQCWTEM-UHFFFAOYSA-N 0 0 433.533 4.495 50 0 IIAARN Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002198820 569191519 /nfs/dbraw/zinc/19/15/19/569191519.db2.gz HFKXHOCVMVTLCP-INIZCTEOSA-N 0 0 436.899 4.204 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c(NCCNS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000037382312 569191927 /nfs/dbraw/zinc/19/19/27/569191927.db2.gz OCDHIZASXRHHRZ-UHFFFAOYSA-N 0 0 432.549 4.304 50 0 IIAARN CC[C@@H](C)NC(=O)CCN(CCOC)c1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000037384405 569192150 /nfs/dbraw/zinc/19/21/50/569192150.db2.gz SPHIVJACENABSO-OAHLLOKOSA-N 0 0 430.936 4.301 50 0 IIAARN CCNC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000037399575 569194498 /nfs/dbraw/zinc/19/44/98/569194498.db2.gz DKKXAGMMTNLKDY-UHFFFAOYSA-N 0 0 433.531 4.033 50 0 IIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)c1ccco1 ZINC000037400905 569195044 /nfs/dbraw/zinc/19/50/44/569195044.db2.gz XYFCNJYBTYQBRL-QGZVFWFLSA-N 0 0 443.521 4.497 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C(=O)CC(C)(C)C)C3CC3)cc2)cc1 ZINC000037401295 569195155 /nfs/dbraw/zinc/19/51/55/569195155.db2.gz BWJAUUDJLYPQFX-UHFFFAOYSA-N 0 0 431.554 4.390 50 0 IIAARN CC[C@H](C(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1)c1ccccc1 ZINC000170677551 569195387 /nfs/dbraw/zinc/19/53/87/569195387.db2.gz LVQPZRDWBBYOAB-SFHVURJKSA-N 0 0 433.474 4.202 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000015095604 569195486 /nfs/dbraw/zinc/19/54/86/569195486.db2.gz HDAYEBMUQBLNAH-FQEVSTJZSA-N 0 0 442.519 4.445 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1F)C(=O)NC(C)(C)C ZINC000037425865 569195702 /nfs/dbraw/zinc/19/57/02/569195702.db2.gz JINSUVYABODURS-QFIPXVFZSA-N 0 0 446.542 4.164 50 0 IIAARN CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)c1cccc(F)c1 ZINC000037427740 569195845 /nfs/dbraw/zinc/19/58/45/569195845.db2.gz YXIWVRGOBUHSNC-HSZRJFAPSA-N 0 0 439.918 4.375 50 0 IIAARN O=C(NC1CC1)c1ccc(Cn2ccs/c2=N\C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000037437512 569196244 /nfs/dbraw/zinc/19/62/44/569196244.db2.gz UIYURFJYVKADGO-NMWGTECJSA-N 0 0 436.320 4.131 50 0 IIAARN CCCNC(=O)CN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037438562 569196403 /nfs/dbraw/zinc/19/64/03/569196403.db2.gz QUKVUVXCNPYPLW-UHFFFAOYSA-N 0 0 438.553 4.064 50 0 IIAARN C[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cccc(Br)c1 ZINC000037521852 569198324 /nfs/dbraw/zinc/19/83/24/569198324.db2.gz YVBCFQOGZSWJPI-LBPRGKRZSA-N 0 0 441.247 4.345 50 0 IIAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)N2CCOCC2)cc1 ZINC000037556606 569200712 /nfs/dbraw/zinc/20/07/12/569200712.db2.gz QNLZKCPDCKIWCX-UHFFFAOYSA-N 0 0 434.561 4.305 50 0 IIAARN CCCCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc21 ZINC000002214362 569202833 /nfs/dbraw/zinc/20/28/33/569202833.db2.gz FIDDTZJPRGSCAC-UHFFFAOYSA-N 0 0 447.539 4.483 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)COc1ccccc1 ZINC000037623802 569203403 /nfs/dbraw/zinc/20/34/03/569203403.db2.gz SISVEIDPHFMDFY-QGZVFWFLSA-N 0 0 438.915 4.038 50 0 IIAARN COCCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C ZINC000007799314 569203612 /nfs/dbraw/zinc/20/36/12/569203612.db2.gz DIJJAOZYAFPVLX-UHFFFAOYSA-N 0 0 425.558 4.105 50 0 IIAARN O=C(NCc1cccc(Cl)c1)C1=NO[C@H](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000066088994 569205697 /nfs/dbraw/zinc/20/56/97/569205697.db2.gz MBGQKRMAZCOJHK-INIZCTEOSA-N 0 0 431.279 4.047 50 0 IIAARN O=C(NCc1ccc(Cl)c(Cl)c1)C1=NO[C@H](Cc2noc(-c3ccc(F)cc3)n2)C1 ZINC000066089032 569205708 /nfs/dbraw/zinc/20/57/08/569205708.db2.gz WBKRZFRHDHFZIC-AWEZNQCLSA-N 0 0 449.269 4.186 50 0 IIAARN O=c1c2cc(F)ccc2n(Cc2ccc(F)cc2)cc1S(=O)(=O)c1ccc(F)cc1 ZINC000002692062 569212571 /nfs/dbraw/zinc/21/25/71/569212571.db2.gz FBUZKNWARAYNMY-UHFFFAOYSA-N 0 0 429.419 4.300 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 ZINC000003139315 569213275 /nfs/dbraw/zinc/21/32/75/569213275.db2.gz BXLSGBLNGUMGOX-UHFFFAOYSA-N 0 0 431.399 4.327 50 0 IIAARN Cc1nnc(-n2nccc2-c2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)n1N ZINC000002243945 569213711 /nfs/dbraw/zinc/21/37/11/569213711.db2.gz GXZFXZIZZRBMEK-UHFFFAOYSA-N 0 0 435.797 4.013 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(N)=O)n(Cc4ccccc4)c(=O)c32)C1 ZINC000002271542 569217503 /nfs/dbraw/zinc/21/75/03/569217503.db2.gz RZBPXRYGGKPIQK-HNNXBMFYSA-N 0 0 441.622 4.235 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCCC3 ZINC000002278341 569217973 /nfs/dbraw/zinc/21/79/73/569217973.db2.gz XHLJCVIJOLEIHM-UHFFFAOYSA-N 0 0 426.567 4.484 50 0 IIAARN COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NC2CCCCC2)cc1 ZINC000002277472 569217996 /nfs/dbraw/zinc/21/79/96/569217996.db2.gz YKONGGFJDSMZJJ-QHCPKHFHSA-N 0 0 434.540 4.358 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000253395410 569264585 /nfs/dbraw/zinc/26/45/85/569264585.db2.gz YGEBXSCWBYHBNN-DHIUTWEWSA-N 0 0 434.536 4.020 50 0 IIAARN CC(C)Sc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 ZINC000253403667 569265172 /nfs/dbraw/zinc/26/51/72/569265172.db2.gz QIINHKXJENZXKZ-UHFFFAOYSA-N 0 0 438.519 4.324 50 0 IIAARN COc1cccc([C@H](O)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000253426105 569267365 /nfs/dbraw/zinc/26/73/65/569267365.db2.gz ILBKZMYMNCDOJA-NHCUHLMSSA-N 0 0 442.556 4.137 50 0 IIAARN CC(C)CNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002291858 569268044 /nfs/dbraw/zinc/26/80/44/569268044.db2.gz DFBBEPXAAHAUDF-UHFFFAOYSA-N 0 0 438.329 4.304 50 0 IIAARN COc1ccccc1CNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000002291851 569268047 /nfs/dbraw/zinc/26/80/47/569268047.db2.gz DIVGUJVVLZURTA-UHFFFAOYSA-N 0 0 441.466 4.234 50 0 IIAARN COC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 ZINC000253432394 569269113 /nfs/dbraw/zinc/26/91/13/569269113.db2.gz KBHAGDFAWWGGKU-VWLOTQADSA-N 0 0 442.450 4.276 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ccc(Cl)c(F)c1)C(F)(F)F ZINC000002306277 569271892 /nfs/dbraw/zinc/27/18/92/569271892.db2.gz HXDIGVDQESJMHY-GOSISDBHSA-N 0 0 432.801 4.451 50 0 IIAARN Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002333691 569274055 /nfs/dbraw/zinc/27/40/55/569274055.db2.gz CWJLBOVLWVZQHM-UHFFFAOYSA-N 0 0 446.507 4.495 50 0 IIAARN CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000002328047 569274457 /nfs/dbraw/zinc/27/44/57/569274457.db2.gz CSGOMUBCCJBNIA-UHFFFAOYSA-N 0 0 425.554 4.135 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1ccc2c1cccc2NC(C)=O ZINC000252506939 569288035 /nfs/dbraw/zinc/28/80/35/569288035.db2.gz WDJXZGSPFDCVEE-QFIPXVFZSA-N 0 0 430.508 4.283 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1N ZINC000002379693 569290033 /nfs/dbraw/zinc/29/00/33/569290033.db2.gz ZPJYRPRQJQZIQO-UHFFFAOYSA-N 0 0 447.520 4.191 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)ccc2s1 ZINC000008661008 569290072 /nfs/dbraw/zinc/29/00/72/569290072.db2.gz CNXKFOXTTHVZLO-AWEZNQCLSA-N 0 0 429.567 4.278 50 0 IIAARN O=C(NCCc1ccccc1)c1noc(C(=O)NCCc2ccccc2)c1-c1ccccc1 ZINC000027755331 569296827 /nfs/dbraw/zinc/29/68/27/569296827.db2.gz HRNXAROAMRZNOK-UHFFFAOYSA-N 0 0 439.515 4.287 50 0 IIAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002399235 569299084 /nfs/dbraw/zinc/29/90/84/569299084.db2.gz WCJOOHWRSYOLAK-OAHLLOKOSA-N 0 0 445.523 4.251 50 0 IIAARN COc1ccc(CCCc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1C ZINC000002407644 569300345 /nfs/dbraw/zinc/30/03/45/569300345.db2.gz LIIOVBAVTQYQAD-UHFFFAOYSA-N 0 0 425.554 4.013 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)c1OC ZINC000002409013 569300488 /nfs/dbraw/zinc/30/04/88/569300488.db2.gz GTRJCBQQYSMDKL-SFHVURJKSA-N 0 0 449.488 4.028 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002414919 569301392 /nfs/dbraw/zinc/30/13/92/569301392.db2.gz KGGUTBLXGZIFER-UHFFFAOYSA-N 0 0 434.546 4.418 50 0 IIAARN CC(C)(C)OC(=O)N[C@H](C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000002415398 569301419 /nfs/dbraw/zinc/30/14/19/569301419.db2.gz ZTIWXRLMLOMCEF-NRFANRHFSA-N 0 0 435.476 4.453 50 0 IIAARN CCCc1ccc(OCc2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)c(OC)c1 ZINC000002418042 569301636 /nfs/dbraw/zinc/30/16/36/569301636.db2.gz NMNZSNHMTOLCSV-UHFFFAOYSA-N 0 0 428.496 4.312 50 0 IIAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002421669 569302158 /nfs/dbraw/zinc/30/21/58/569302158.db2.gz VWPURLIJDYAVHI-IAGOWNOFSA-N 0 0 432.311 4.316 50 0 IIAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002428265 569302719 /nfs/dbraw/zinc/30/27/19/569302719.db2.gz RQXHYRNZUOSWJP-SJORKVTESA-N 0 0 432.311 4.316 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C=c3sc4nc(-c5cccc(C)c5)nn4c3=O)o2)cc1 ZINC000002427907 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C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013114514 569310675 /nfs/dbraw/zinc/31/06/75/569310675.db2.gz KDZUDGMBZCNXNA-MRXNPFEDSA-N 0 0 442.972 4.215 50 0 IIAARN O=C(CCc1ccccc1)N1CSC[C@@H]1C(=O)NCc1csc(-c2cccs2)n1 ZINC000013354906 569313510 /nfs/dbraw/zinc/31/35/10/569313510.db2.gz RQZSBESZNJYVFX-QGZVFWFLSA-N 0 0 443.619 4.022 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1OC ZINC000013361033 569314004 /nfs/dbraw/zinc/31/40/04/569314004.db2.gz NWICHIHOAWIKOB-UHFFFAOYSA-N 0 0 447.516 4.485 50 0 IIAARN CCC(CC)C(=O)Nc1ccc(OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000013368227 569314618 /nfs/dbraw/zinc/31/46/18/569314618.db2.gz LQJHLZDIPBVJHF-UHFFFAOYSA-N 0 0 428.558 4.303 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)c2)cc1 ZINC000013368180 569314619 /nfs/dbraw/zinc/31/46/19/569314619.db2.gz JPJVBFDNQHTKIL-UHFFFAOYSA-N 0 0 448.548 4.489 50 0 IIAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)NC1CCCCC1 ZINC000002461711 569316163 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432.499 4.258 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000095434549 569366488 /nfs/dbraw/zinc/36/64/88/569366488.db2.gz LNMZWQVXXOXGEV-RHSMWYFYSA-N 0 0 430.524 4.004 50 0 IIAARN C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC000095441936 569366792 /nfs/dbraw/zinc/36/67/92/569366792.db2.gz IOOIGIWLNQYPJU-GOSISDBHSA-N 0 0 436.556 4.468 50 0 IIAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnc(C)c(Cl)c3Br)c2)n1 ZINC000095444486 569367031 /nfs/dbraw/zinc/36/70/31/569367031.db2.gz IDRSOEANVWWHCA-UHFFFAOYSA-N 0 0 447.720 4.371 50 0 IIAARN CN(C(=O)[C@@H]1CC1(Cl)Cl)c1cccc2c1CCCN2C(=O)[C@@H]1CC1(Cl)Cl ZINC000095446990 569367527 /nfs/dbraw/zinc/36/75/27/569367527.db2.gz YHWIEHYIMHKDEV-RYUDHWBXSA-N 0 0 436.166 4.316 50 0 IIAARN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1c[nH]c2cccc(Br)c21 ZINC000095449186 569367640 /nfs/dbraw/zinc/36/76/40/569367640.db2.gz GRGLXOZZRAOHKK-HNNXBMFYSA-N 0 0 443.219 4.292 50 0 IIAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)c(C)n1-c1nccs1 ZINC000095451830 569367859 /nfs/dbraw/zinc/36/78/59/569367859.db2.gz GVKFSCSPMUTIQB-UHFFFAOYSA-N 0 0 446.598 4.127 50 0 IIAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000095465388 569370651 /nfs/dbraw/zinc/37/06/51/569370651.db2.gz UAWGLGIALSNJAI-IAGOWNOFSA-N 0 0 429.307 4.329 50 0 IIAARN C[C@H](NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)c1ccccc1 ZINC000095466467 569370917 /nfs/dbraw/zinc/37/09/17/569370917.db2.gz VPJJWADCWDHMRF-IBGZPJMESA-N 0 0 440.499 4.084 50 0 IIAARN Cc1c(I)cccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000095469110 569371430 /nfs/dbraw/zinc/37/14/30/569371430.db2.gz GAQMVLLSDUSKRB-UHFFFAOYSA-N 0 0 442.684 4.012 50 0 IIAARN CCc1cc(C)cc(OCCOc2ccccc2[C@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000020896071 569375187 /nfs/dbraw/zinc/37/51/87/569375187.db2.gz KBLCQAYKTHTSRR-JOCHJYFZSA-N 0 0 441.553 4.016 50 0 IIAARN Cc1nc2n(c1CN1CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC1)CCCC2 ZINC000095942615 569375589 /nfs/dbraw/zinc/37/55/89/569375589.db2.gz HVSHIUYNDHMSEJ-UHFFFAOYSA-N 0 0 437.588 4.199 50 0 IIAARN CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095946145 569376063 /nfs/dbraw/zinc/37/60/63/569376063.db2.gz ZNFYJORNWXMQIF-LJQANCHMSA-N 0 0 437.924 4.328 50 0 IIAARN COc1csc(C(=O)N(C[C@H]2CCCN(C(=O)c3cc(OC)cs3)C2)C(C)C)c1 ZINC000095979879 569377718 /nfs/dbraw/zinc/37/77/18/569377718.db2.gz JQIHVGZPFAYPFT-HNNXBMFYSA-N 0 0 436.599 4.230 50 0 IIAARN O=C(Nc1ccncc1N1CCCCC1)c1cccc(F)c1I ZINC000096011171 569379809 /nfs/dbraw/zinc/37/98/09/569379809.db2.gz JNYYFDAALKUEHB-UHFFFAOYSA-N 0 0 425.245 4.068 50 0 IIAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096921 569381276 /nfs/dbraw/zinc/38/12/76/569381276.db2.gz IPBYPDOCCAVCNM-UHFFFAOYSA-N 0 0 447.358 4.083 50 0 IIAARN O=C(CSc1ccc(F)cc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096976 569381339 /nfs/dbraw/zinc/38/13/39/569381339.db2.gz PDEKJKSDVHDBRN-UHFFFAOYSA-N 0 0 425.323 4.145 50 0 IIAARN CCCn1c(SCc2c(C)noc2C)nc2nc(N3CCC(C)CC3)sc2c1=O ZINC000096097160 569381381 /nfs/dbraw/zinc/38/13/81/569381381.db2.gz CYSKGLXUIRQOFI-UHFFFAOYSA-N 0 0 433.603 4.396 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096098314 569381535 /nfs/dbraw/zinc/38/15/35/569381535.db2.gz SZXSUCRAURBCNM-SFHVURJKSA-N 0 0 433.529 4.389 50 0 IIAARN COc1ccc(CNC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1OC ZINC000096102984 569381862 /nfs/dbraw/zinc/38/18/62/569381862.db2.gz HPPSYZSOWFHOTJ-UHFFFAOYSA-N 0 0 445.479 4.061 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4Br)CC3)[nH]c2c1 ZINC000096102944 569381880 /nfs/dbraw/zinc/38/18/80/569381880.db2.gz JVUUIPGUKYURIH-UHFFFAOYSA-N 0 0 430.302 4.018 50 0 IIAARN O=C(CCc1ccccc1Br)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000096103631 569382058 /nfs/dbraw/zinc/38/20/58/569382058.db2.gz OKWJGJYQETTYGK-UHFFFAOYSA-N 0 0 427.342 4.315 50 0 IIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000096114533 569382868 /nfs/dbraw/zinc/38/28/68/569382868.db2.gz IJUVEXNJNLIRLS-URXFXBBRSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)c2O1 ZINC000096119024 569384590 /nfs/dbraw/zinc/38/45/90/569384590.db2.gz JJLCRLBBRCOQSZ-INIZCTEOSA-N 0 0 439.537 4.297 50 0 IIAARN O=C(c1ccco1)c1ccc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000096119826 569384786 /nfs/dbraw/zinc/38/47/86/569384786.db2.gz PSDWCRNOWSKSRY-UHFFFAOYSA-N 0 0 429.441 4.211 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc1OC ZINC000096223969 569387339 /nfs/dbraw/zinc/38/73/39/569387339.db2.gz GNQOTQCKEGCBED-YRNVUSSQSA-N 0 0 447.516 4.492 50 0 IIAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096232765 569387865 /nfs/dbraw/zinc/38/78/65/569387865.db2.gz BNAKAHGSNSPSNK-QFIPXVFZSA-N 0 0 428.488 4.336 50 0 IIAARN CC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccccc1Cl ZINC000096275738 569388391 /nfs/dbraw/zinc/38/83/91/569388391.db2.gz SXZHEKRLONSOGR-UHFFFAOYSA-N 0 0 427.888 4.460 50 0 IIAARN COc1cc(OC)cc(-c2noc(CCN(C(=O)c3ccco3)C3CCCCC3)n2)c1 ZINC000096278112 569389003 /nfs/dbraw/zinc/38/90/03/569389003.db2.gz LLWZAHJJPVLTBW-UHFFFAOYSA-N 0 0 425.485 4.364 50 0 IIAARN O=C(Cn1c(Cc2ccccn2)nc2cc(Cl)c(Cl)cc21)NCCc1ccccn1 ZINC000096289502 569390644 /nfs/dbraw/zinc/39/06/44/569390644.db2.gz SHYGXOCJEUPFCT-UHFFFAOYSA-N 0 0 440.334 4.083 50 0 IIAARN C[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290489 569390886 /nfs/dbraw/zinc/39/08/86/569390886.db2.gz AAYSHWBFQLQCFQ-ZDUSSCGKSA-N 0 0 436.314 4.493 50 0 IIAARN COc1ccc(-n2c(C)nnc2SCc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000096290691 569391062 /nfs/dbraw/zinc/39/10/62/569391062.db2.gz JAJWDWCFNNJHKM-UHFFFAOYSA-N 0 0 434.521 4.400 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)c3ccco3)cc2)cc1 ZINC000096291361 569391111 /nfs/dbraw/zinc/39/11/11/569391111.db2.gz YIHRPSBOYUGTJQ-UHFFFAOYSA-N 0 0 441.505 4.108 50 0 IIAARN COc1cc(OC)cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)c1 ZINC000096293501 569391509 /nfs/dbraw/zinc/39/15/09/569391509.db2.gz PTSVLZBXARJSQY-QFIPXVFZSA-N 0 0 429.476 4.468 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)cc1 ZINC000096294381 569391770 /nfs/dbraw/zinc/39/17/70/569391770.db2.gz GQWWBJHJKKIXFW-DEOSSOPVSA-N 0 0 445.494 4.284 50 0 IIAARN COc1cc(-c2noc([C@H](NC(=O)c3cccc(F)c3)C(C)C)n2)cc(OC)c1OC ZINC000096294020 569391801 /nfs/dbraw/zinc/39/18/01/569391801.db2.gz RNFGQABGUSGXRC-GOSISDBHSA-N 0 0 429.448 4.029 50 0 IIAARN CC(C)Cn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000096310640 569392588 /nfs/dbraw/zinc/39/25/88/569392588.db2.gz LXZAWNGRSYLRSO-AWEZNQCLSA-N 0 0 436.940 4.058 50 0 IIAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317398 569393326 /nfs/dbraw/zinc/39/33/26/569393326.db2.gz JGZGBDRTVYOTTA-UHFFFAOYSA-N 0 0 445.970 4.286 50 0 IIAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cccc(OC)c2)C4)cc1 ZINC000096323743 569395478 /nfs/dbraw/zinc/39/54/78/569395478.db2.gz XVPDTQRDDMFKCU-UHFFFAOYSA-N 0 0 435.509 4.065 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000096324515 569395939 /nfs/dbraw/zinc/39/59/39/569395939.db2.gz VXRGIRQVMPYXJP-UHFFFAOYSA-N 0 0 426.517 4.272 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)Nc3ccccc3)cc2)o1 ZINC000096324482 569395941 /nfs/dbraw/zinc/39/59/41/569395941.db2.gz OOJLUSMQDNZCKR-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000096324527 569395976 /nfs/dbraw/zinc/39/59/76/569395976.db2.gz DIXADWIMQAFQJV-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096335949 569396630 /nfs/dbraw/zinc/39/66/30/569396630.db2.gz CWFYATOJJFODAS-NZQKXSOJSA-N 0 0 445.402 4.192 50 0 IIAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335896 569396648 /nfs/dbraw/zinc/39/66/48/569396648.db2.gz CLWCNVJZCRBONP-IBGZPJMESA-N 0 0 444.480 4.480 50 0 IIAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)COc1ccc(F)cc1 ZINC000096349921 569397393 /nfs/dbraw/zinc/39/73/93/569397393.db2.gz OXBXFJJOMUJGEW-UHFFFAOYSA-N 0 0 428.851 4.090 50 0 IIAARN COc1cc(OC)cc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)c1 ZINC000096349895 569397416 /nfs/dbraw/zinc/39/74/16/569397416.db2.gz MCHRKEGUQXEEOC-UHFFFAOYSA-N 0 0 440.887 4.203 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)cc1 ZINC000096372442 569397890 /nfs/dbraw/zinc/39/78/90/569397890.db2.gz RRYONFLQOAUKKL-UHFFFAOYSA-N 0 0 440.503 4.343 50 0 IIAARN O=C(NCc1ccccc1F)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000096386356 569398563 /nfs/dbraw/zinc/39/85/63/569398563.db2.gz MSVUACTYDOFZGU-UHFFFAOYSA-N 0 0 430.936 4.192 50 0 IIAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)NCc1ccc(Br)cc1 ZINC000096386885 569398719 /nfs/dbraw/zinc/39/87/19/569398719.db2.gz CSSZCPVKJHDKQN-IBGZPJMESA-N 0 0 436.309 4.252 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c1 ZINC000096386824 569398774 /nfs/dbraw/zinc/39/87/74/569398774.db2.gz OYMNKEUTMBHOOD-UHFFFAOYSA-N 0 0 434.496 4.283 50 0 IIAARN CCOc1ccccc1NC(=O)C1CCN(c2cnc3nc(CC)c(CC)nc3c2)CC1 ZINC000096387417 569399021 /nfs/dbraw/zinc/39/90/21/569399021.db2.gz XOVLNEMFAXOWTF-UHFFFAOYSA-N 0 0 433.556 4.403 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3cc(C)ccc3C)sc2c1 ZINC000096399579 569400187 /nfs/dbraw/zinc/40/01/87/569400187.db2.gz QGUKSBQSELUUIX-UHFFFAOYSA-N 0 0 449.623 4.083 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1 ZINC000096399533 569400188 /nfs/dbraw/zinc/40/01/88/569400188.db2.gz SXQVTTZIMVUBSF-ZDUSSCGKSA-N 0 0 435.596 4.027 50 0 IIAARN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2nccn2Cc2ccccc2)C1 ZINC000097049033 569402943 /nfs/dbraw/zinc/40/29/43/569402943.db2.gz JSLZNGCYLUIZRX-ROUUACIJSA-N 0 0 438.494 4.351 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459416 569403462 /nfs/dbraw/zinc/40/34/62/569403462.db2.gz VDLWXOOAKLEWNT-NHCUHLMSSA-N 0 0 428.554 4.125 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccccc1F ZINC000002459542 569403493 /nfs/dbraw/zinc/40/34/93/569403493.db2.gz ALWXFASFKDOPGP-UHFFFAOYSA-N 0 0 447.944 4.404 50 0 IIAARN CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 ZINC000002487376 569405184 /nfs/dbraw/zinc/40/51/84/569405184.db2.gz HFSQSEMXWSLVCF-KKSFZXQISA-N 0 0 436.533 4.477 50 0 IIAARN COc1ccc(Br)cc1CCC(=O)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225619179 569405861 /nfs/dbraw/zinc/40/58/61/569405861.db2.gz FGRVQKPRCOWFIT-OAQYLSRUSA-N 0 0 433.346 4.069 50 0 IIAARN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccnc(-c4ccco4)c3)cc2)c1 ZINC000225655479 569406488 /nfs/dbraw/zinc/40/64/88/569406488.db2.gz DLKJUBJIVJKYGF-UHFFFAOYSA-N 0 0 447.516 4.381 50 0 IIAARN O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225722180 569407438 /nfs/dbraw/zinc/40/74/38/569407438.db2.gz MOBONNVYQWGSPR-HNNXBMFYSA-N 0 0 438.380 4.235 50 0 IIAARN COC(=O)c1ccccc1N[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000028294043 569409664 /nfs/dbraw/zinc/40/96/64/569409664.db2.gz MSIGKZUHSDIRJG-DXRVJIQQSA-N 0 0 427.715 4.411 50 0 IIAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCCC1 ZINC000002619347 569410685 /nfs/dbraw/zinc/41/06/85/569410685.db2.gz JOISGVHWQWDMOD-UHFFFAOYSA-N 0 0 443.956 4.071 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000002620608 569411114 /nfs/dbraw/zinc/41/11/14/569411114.db2.gz WCZBYIJUGJAKOI-UHFFFAOYSA-N 0 0 440.365 4.227 50 0 IIAARN COc1cc(C(=O)OCCCC(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000002621938 569411214 /nfs/dbraw/zinc/41/12/14/569411214.db2.gz UKIPVFVOABPOML-UHFFFAOYSA-N 0 0 437.286 4.295 50 0 IIAARN CN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 ZINC000002624138 569411558 /nfs/dbraw/zinc/41/15/58/569411558.db2.gz QEHBANFVMOMPTA-UHFFFAOYSA-N 0 0 444.516 4.418 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000002629543 569412102 /nfs/dbraw/zinc/41/21/02/569412102.db2.gz MGLSKMRERLLECP-UHFFFAOYSA-N 0 0 434.949 4.112 50 0 IIAARN COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000002634015 569412765 /nfs/dbraw/zinc/41/27/65/569412765.db2.gz PRJPJNKNIPTIBK-QFIPXVFZSA-N 0 0 448.906 4.332 50 0 IIAARN COc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc(OC)c1 ZINC000002635672 569412896 /nfs/dbraw/zinc/41/28/96/569412896.db2.gz SEVMWKJDOHAQDF-UHFFFAOYSA-N 0 0 447.582 4.404 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000002637303 569413138 /nfs/dbraw/zinc/41/31/38/569413138.db2.gz YWAFFUVRDGYSGP-UHFFFAOYSA-N 0 0 443.139 4.198 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C ZINC000002646617 569414314 /nfs/dbraw/zinc/41/43/14/569414314.db2.gz FXIMUBKYEKYTAZ-UHFFFAOYSA-N 0 0 430.555 4.247 50 0 IIAARN CN(C)c1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3O2)c2c[nH]c3ccccc32)cc1 ZINC000002650824 569414936 /nfs/dbraw/zinc/41/49/36/569414936.db2.gz MOQAAMBTCXZHFP-HFZDXXHNSA-N 0 0 441.531 4.322 50 0 IIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 ZINC000002653051 569415090 /nfs/dbraw/zinc/41/50/90/569415090.db2.gz HZIZIQQRCQEOAP-UHFFFAOYSA-N 0 0 448.957 4.146 50 0 IIAARN Cn1nnnc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000002661638 569416147 /nfs/dbraw/zinc/41/61/47/569416147.db2.gz ODKYYNUKEPSSRM-CQSZACIVSA-N 0 0 427.839 4.354 50 0 IIAARN CC[C@@H](Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1)C(=O)OC ZINC000002706290 569417594 /nfs/dbraw/zinc/41/75/94/569417594.db2.gz OOTNSDFNLSUTNC-MRXNPFEDSA-N 0 0 429.571 4.010 50 0 IIAARN COc1cccc(OC)c1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724256 569418358 /nfs/dbraw/zinc/41/83/58/569418358.db2.gz UCWKTMMSUBBARO-DEOSSOPVSA-N 0 0 434.467 4.335 50 0 IIAARN C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000002781018 569421220 /nfs/dbraw/zinc/42/12/20/569421220.db2.gz KQQKIRBKVVHMTM-ZDUSSCGKSA-N 0 0 425.266 4.478 50 0 IIAARN Cc1nn([C@H](C)C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1Br ZINC000002785709 569421274 /nfs/dbraw/zinc/42/12/74/569421274.db2.gz ZNYLNZUFFNGANA-MRXNPFEDSA-N 0 0 430.350 4.324 50 0 IIAARN CCOC(=O)c1sc2ncn3nc(-c4cccc(Cn5nc(C)cc5C)c4)nc3c2c1C ZINC000002793892 569422028 /nfs/dbraw/zinc/42/20/28/569422028.db2.gz OJVMCYLQNYWPCD-UHFFFAOYSA-N 0 0 446.536 4.353 50 0 IIAARN Cc1nn(C[C@@H](C)C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)c(C)c1Cl ZINC000002809288 569422863 /nfs/dbraw/zinc/42/28/63/569422863.db2.gz ZAMFTMSCYUGLQV-CQSZACIVSA-N 0 0 441.992 4.380 50 0 IIAARN COC(=O)c1ccc(N[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000002907968 569424613 /nfs/dbraw/zinc/42/46/13/569424613.db2.gz AGJXZKFEGAPQHM-OAQYLSRUSA-N 0 0 444.940 4.258 50 0 IIAARN CC(=O)c1ccc(OC(=O)c2sc3ncn(Cc4ccccc4F)c(=O)c3c2C)cc1 ZINC000002919955 569425312 /nfs/dbraw/zinc/42/53/12/569425312.db2.gz LXMCBPJOBZKWFM-UHFFFAOYSA-N 0 0 436.464 4.376 50 0 IIAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCc3cccc(Cl)c3)co2)CC1 ZINC000056949985 569428495 /nfs/dbraw/zinc/42/84/95/569428495.db2.gz KHJAHSCLUQXEDZ-UHFFFAOYSA-N 0 0 440.927 4.203 50 0 IIAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)CC3 ZINC000057058852 569429415 /nfs/dbraw/zinc/42/94/15/569429415.db2.gz HMHHNTBOBBKKSO-UHFFFAOYSA-N 0 0 436.987 4.145 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029284891 569429474 /nfs/dbraw/zinc/42/94/74/569429474.db2.gz BZWSFGUNHNLQRO-UHFFFAOYSA-N 0 0 431.458 4.344 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C(C)C)n1 ZINC000227159890 569431756 /nfs/dbraw/zinc/43/17/56/569431756.db2.gz OLIGDMXJOSXUKQ-AWEZNQCLSA-N 0 0 432.322 4.127 50 0 IIAARN Cc1cc(C)c(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)c(Cl)c1 ZINC000029759185 569432475 /nfs/dbraw/zinc/43/24/75/569432475.db2.gz GTWOALBXBAFENQ-HSZRJFAPSA-N 0 0 425.916 4.284 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)NCCc1ccccc1 ZINC000002970145 569433319 /nfs/dbraw/zinc/43/33/19/569433319.db2.gz ROHKEWWSPZWDGM-UHFFFAOYSA-N 0 0 443.572 4.090 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCCCc1ccccc1 ZINC000057425484 569434440 /nfs/dbraw/zinc/43/44/40/569434440.db2.gz FSTLBHFOUHTZIQ-UHFFFAOYSA-N 0 0 449.601 4.347 50 0 IIAARN COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc(OC)c1 ZINC000057426033 569434443 /nfs/dbraw/zinc/43/44/43/569434443.db2.gz SKNWPJPVZKTKQP-UHFFFAOYSA-N 0 0 447.582 4.252 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 ZINC000057426054 569434506 /nfs/dbraw/zinc/43/45/06/569434506.db2.gz IZKYRMIPLUTFOZ-UHFFFAOYSA-N 0 0 429.567 4.438 50 0 IIAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O ZINC000057426974 569434694 /nfs/dbraw/zinc/43/46/94/569434694.db2.gz JMTBNUADKKHDOJ-UHFFFAOYSA-N 0 0 447.560 4.091 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)cc1C ZINC000057428418 569434858 /nfs/dbraw/zinc/43/48/58/569434858.db2.gz OFICPPZEPNNYGF-UHFFFAOYSA-N 0 0 435.574 4.473 50 0 IIAARN CCN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1cccc(C)c1 ZINC000003007765 569435204 /nfs/dbraw/zinc/43/52/04/569435204.db2.gz OSAVXYOVFSPBJY-KRWDZBQOSA-N 0 0 431.939 4.173 50 0 IIAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CS(=O)(=O)C2 ZINC000003008479 569435249 /nfs/dbraw/zinc/43/52/49/569435249.db2.gz QZDDMTOACAOPEO-UHFFFAOYSA-N 0 0 436.320 4.168 50 0 IIAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)cc1 ZINC000057473238 569435710 /nfs/dbraw/zinc/43/57/10/569435710.db2.gz PLBBGYFEWJXTSJ-UHFFFAOYSA-N 0 0 447.560 4.230 50 0 IIAARN COC(=O)c1occc1CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 ZINC000029866372 569435915 /nfs/dbraw/zinc/43/59/15/569435915.db2.gz AEIWLJWCXYXOCZ-UHFFFAOYSA-N 0 0 430.505 4.064 50 0 IIAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2F)c1C ZINC000003023108 569436059 /nfs/dbraw/zinc/43/60/59/569436059.db2.gz MVXFPRCOQUKPLL-UHFFFAOYSA-N 0 0 438.524 4.442 50 0 IIAARN O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1F ZINC000003024177 569436144 /nfs/dbraw/zinc/43/61/44/569436144.db2.gz SLWPLYKNHUCRSV-UHFFFAOYSA-N 0 0 436.867 4.349 50 0 IIAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003024384 569436145 /nfs/dbraw/zinc/43/61/45/569436145.db2.gz RKKBPCDQAWIQPC-UHFFFAOYSA-N 0 0 430.888 4.483 50 0 IIAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F ZINC000003024394 569436185 /nfs/dbraw/zinc/43/61/85/569436185.db2.gz CITYPDPWBJXXJR-UHFFFAOYSA-N 0 0 444.915 4.478 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OC)c1 ZINC000003024582 569436219 /nfs/dbraw/zinc/43/62/19/569436219.db2.gz YKKFVDAJPBEFKN-UHFFFAOYSA-N 0 0 442.512 4.297 50 0 IIAARN CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000057487144 569436630 /nfs/dbraw/zinc/43/66/30/569436630.db2.gz PULMMLOXCVIOSP-UHFFFAOYSA-N 0 0 448.479 4.260 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)no1 ZINC000057488454 569436940 /nfs/dbraw/zinc/43/69/40/569436940.db2.gz RNLRIOYTEPWYDB-UHFFFAOYSA-N 0 0 426.523 4.091 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)NC1CCCCC1 ZINC000057488952 569437006 /nfs/dbraw/zinc/43/70/06/569437006.db2.gz PINPLTVUPYAHMU-UHFFFAOYSA-N 0 0 433.624 4.303 50 0 IIAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000057489426 569437057 /nfs/dbraw/zinc/43/70/57/569437057.db2.gz YZYPNSYASSASNT-KBPBESRZSA-N 0 0 445.585 4.491 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1C ZINC000057491249 569437314 /nfs/dbraw/zinc/43/73/14/569437314.db2.gz YSVUKQDGBOQOFE-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000057491880 569437395 /nfs/dbraw/zinc/43/73/95/569437395.db2.gz JPMXFPXQOBCGJT-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 ZINC000057492228 569437420 /nfs/dbraw/zinc/43/74/20/569437420.db2.gz GIVZVARDGFUOBA-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)c(C)c1 ZINC000057493115 569437580 /nfs/dbraw/zinc/43/75/80/569437580.db2.gz ORQIOBYJEPUKDH-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 ZINC000003032323 569437802 /nfs/dbraw/zinc/43/78/02/569437802.db2.gz QXSLARBBMQIJLD-UHFFFAOYSA-N 0 0 437.337 4.352 50 0 biogenic IIAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000003037505 569437971 /nfs/dbraw/zinc/43/79/71/569437971.db2.gz PKGLGTCULAVGSX-XMMPIXPASA-N 0 0 440.515 4.088 50 0 IIAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1OC ZINC000003037752 569438012 /nfs/dbraw/zinc/43/80/12/569438012.db2.gz HNWFAVLMOBIPFS-HSZRJFAPSA-N 0 0 442.581 4.400 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)c(Br)c1 ZINC000057506378 569438246 /nfs/dbraw/zinc/43/82/46/569438246.db2.gz KZGOFKGWVABRRP-UHFFFAOYSA-N 0 0 445.292 4.144 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003041682 569438468 /nfs/dbraw/zinc/43/84/68/569438468.db2.gz VOUMAMDMXWHWJO-UHFFFAOYSA-N 0 0 431.275 4.242 50 0 IIAARN COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)c1 ZINC000003048012 569438744 /nfs/dbraw/zinc/43/87/44/569438744.db2.gz RXJQFASYHZKBHT-UHFFFAOYSA-N 0 0 428.510 4.177 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@H](C(=O)Nc1ccccc1)C2 ZINC000230128629 569438784 /nfs/dbraw/zinc/43/87/84/569438784.db2.gz IGGSRSKLBWAJMW-NOZRDPDXSA-N 0 0 431.511 4.341 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000230128624 569438817 /nfs/dbraw/zinc/43/88/17/569438817.db2.gz IGGSRSKLBWAJMW-ZCYQVOJMSA-N 0 0 431.511 4.341 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)cc1 ZINC000057524037 569439062 /nfs/dbraw/zinc/43/90/62/569439062.db2.gz BKKYTTSXQGJKEE-UHFFFAOYSA-N 0 0 443.532 4.073 50 0 IIAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000030228581 569441176 /nfs/dbraw/zinc/44/11/76/569441176.db2.gz RONOSMHRSYFJTR-UHFFFAOYSA-N 0 0 430.426 4.430 50 0 IIAARN Cc1c(NC(=O)COc2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003171172 569441187 /nfs/dbraw/zinc/44/11/87/569441187.db2.gz JDRVBKCPTGFNGN-UHFFFAOYSA-N 0 0 429.476 4.294 50 0 IIAARN O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003187332 569441410 /nfs/dbraw/zinc/44/14/10/569441410.db2.gz ZVMJYWFGKYCGQD-UHFFFAOYSA-N 0 0 434.439 4.436 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(C)c1 ZINC000030395937 569441963 /nfs/dbraw/zinc/44/19/63/569441963.db2.gz ZZHKPLYZSISSIM-UHFFFAOYSA-N 0 0 436.552 4.292 50 0 IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2cccc(Cl)c2)c1 ZINC000003226623 569442122 /nfs/dbraw/zinc/44/21/22/569442122.db2.gz NNHZINCYPBLTQP-INIZCTEOSA-N 0 0 440.952 4.410 50 0 IIAARN COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1OC ZINC000003236026 569442486 /nfs/dbraw/zinc/44/24/86/569442486.db2.gz ATXBLGUNSIGYNG-UHFFFAOYSA-N 0 0 425.485 4.482 50 0 IIAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2ccccc2)cc1OC ZINC000003240243 569442550 /nfs/dbraw/zinc/44/25/50/569442550.db2.gz SPKXBNCNEBIDKO-UHFFFAOYSA-N 0 0 425.462 4.057 50 0 IIAARN CC(=O)c1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC000003250270 569442889 /nfs/dbraw/zinc/44/28/89/569442889.db2.gz VWTXKLLHOHRDFJ-UHFFFAOYSA-N 0 0 449.576 4.472 50 0 IIAARN COC(=O)c1ccc(CN(C)C(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000030515117 569443064 /nfs/dbraw/zinc/44/30/64/569443064.db2.gz GLAGSMVSZSSYNS-UHFFFAOYSA-N 0 0 437.496 4.190 50 0 IIAARN CCOC(=O)COc1cc2oc(C)c(-c3cnn(-c4ccccc4)c3)c(=O)c2cc1CC ZINC000003273139 569443648 /nfs/dbraw/zinc/44/36/48/569443648.db2.gz NYTYIZJTSJWUDX-UHFFFAOYSA-N 0 0 432.476 4.458 50 0 IIAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(Br)s1 ZINC000003293707 569444512 /nfs/dbraw/zinc/44/45/12/569444512.db2.gz OUEILRDTINLVTJ-UHFFFAOYSA-N 0 0 444.734 4.100 50 0 IIAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000003294850 569444598 /nfs/dbraw/zinc/44/45/98/569444598.db2.gz BGFXNOUDWNVIBF-UHFFFAOYSA-N 0 0 446.406 4.267 50 0 IIAARN Cc1c(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000003298404 569444854 /nfs/dbraw/zinc/44/48/54/569444854.db2.gz BMSMLTROZHPTEV-UHFFFAOYSA-N 0 0 436.489 4.127 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccco2)cc1 ZINC000003308852 569445347 /nfs/dbraw/zinc/44/53/47/569445347.db2.gz SLRNSMUHABBMKI-UHFFFAOYSA-N 0 0 446.532 4.276 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc(OCC)c1OCC ZINC000003312266 569445550 /nfs/dbraw/zinc/44/55/50/569445550.db2.gz VMMXUULSVTWUOT-INIZCTEOSA-N 0 0 427.497 4.017 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)no1 ZINC000003323528 569446064 /nfs/dbraw/zinc/44/60/64/569446064.db2.gz ITOPKPRFKATQHF-UHFFFAOYSA-N 0 0 440.916 4.318 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCOc3ccc(C)cc3)cc2)cc1 ZINC000003328928 569446344 /nfs/dbraw/zinc/44/63/44/569446344.db2.gz QOOUDBRPNKCONU-UHFFFAOYSA-N 0 0 440.521 4.212 50 0 IIAARN Cc1nc(COc2cccc(/C=C/C(=O)NCCCc3nc(CC(C)C)no3)c2)cs1 ZINC000058061925 569446418 /nfs/dbraw/zinc/44/64/18/569446418.db2.gz RJZWMMQKBSNKSF-MDZDMXLPSA-N 0 0 440.569 4.374 50 0 IIAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc[nH]2)sc2c3CCC2)cc1 ZINC000003340956 569446893 /nfs/dbraw/zinc/44/68/93/569446893.db2.gz HKWAHAYJMFVZOM-UHFFFAOYSA-N 0 0 437.546 4.248 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCc2ccccc21 ZINC000003348069 569447224 /nfs/dbraw/zinc/44/72/24/569447224.db2.gz KIHIYGBMXKSJSX-UHFFFAOYSA-N 0 0 431.492 4.206 50 0 IIAARN COC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cccc(OC)c1 ZINC000003356325 569447664 /nfs/dbraw/zinc/44/76/64/569447664.db2.gz TXMSBFFVCHDFPI-UHFFFAOYSA-N 0 0 443.091 4.259 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C ZINC000003372105 569448508 /nfs/dbraw/zinc/44/85/08/569448508.db2.gz CXTXWTNKCMVWET-UHFFFAOYSA-N 0 0 435.505 4.160 50 0 IIAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c3)ccc12 ZINC000003374814 569448593 /nfs/dbraw/zinc/44/85/93/569448593.db2.gz XPDQRBVIOAPVRL-UHFFFAOYSA-N 0 0 449.912 4.051 50 0 IIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1c(F)cccc1Cl ZINC000003382638 569448930 /nfs/dbraw/zinc/44/89/30/569448930.db2.gz XYYYPWHPZMZSMQ-UHFFFAOYSA-N 0 0 425.865 4.390 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cc(C)ccc1C ZINC000003387726 569449048 /nfs/dbraw/zinc/44/90/48/569449048.db2.gz YMNUOQOBUKVFKR-UHFFFAOYSA-N 0 0 436.533 4.316 50 0 IIAARN COc1ccccc1CN(C)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000003393487 569449376 /nfs/dbraw/zinc/44/93/76/569449376.db2.gz OHNBIZVHVBVLLM-KRWDZBQOSA-N 0 0 430.599 4.420 50 0 IIAARN O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000003396099 569449410 /nfs/dbraw/zinc/44/94/10/569449410.db2.gz VEMAKFBQQVCBQF-UHFFFAOYSA-N 0 0 445.548 4.142 50 0 IIAARN O=C(OCc1nc2ccccc2s1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003404942 569449867 /nfs/dbraw/zinc/44/98/67/569449867.db2.gz KGOVGASFHCNKLU-IIBYNOLFSA-N 0 0 428.510 4.069 50 0 IIAARN COCCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 ZINC000003405084 569449878 /nfs/dbraw/zinc/44/98/78/569449878.db2.gz QIPYQZQSALKBPR-NRFANRHFSA-N 0 0 436.581 4.186 50 0 IIAARN COCCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 ZINC000003405088 569449888 /nfs/dbraw/zinc/44/98/88/569449888.db2.gz QIPYQZQSALKBPR-OAQYLSRUSA-N 0 0 436.581 4.186 50 0 IIAARN Cc1csc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000003406613 569449922 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569457435 /nfs/dbraw/zinc/45/74/35/569457435.db2.gz RSHFFGPGFKACNU-UHFFFAOYSA-N 0 0 436.493 4.255 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)cc1C ZINC000031940841 569458438 /nfs/dbraw/zinc/45/84/38/569458438.db2.gz OUJWCVVFWZPWRB-QHCPKHFHSA-N 0 0 435.549 4.477 50 0 IIAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC ZINC000004056932 569458484 /nfs/dbraw/zinc/45/84/84/569458484.db2.gz GIKTUBSLBYTFIJ-MRXNPFEDSA-N 0 0 447.008 4.237 50 0 IIAARN CCCn1nc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c2ccccc2c1=O ZINC000031967567 569458586 /nfs/dbraw/zinc/45/85/86/569458586.db2.gz NHZZWEUDHFCILA-UHFFFAOYSA-N 0 0 441.413 4.263 50 0 IIAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032093366 569459685 /nfs/dbraw/zinc/45/96/85/569459685.db2.gz LGOHZKLDEZMZMC-FQEVSTJZSA-N 0 0 432.446 4.228 50 0 IIAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032097191 569459932 /nfs/dbraw/zinc/45/99/32/569459932.db2.gz 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CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008130079 569462280 /nfs/dbraw/zinc/46/22/80/569462280.db2.gz XAXDTTGLUJIFAK-RTBURBONSA-N 0 0 427.618 4.135 50 0 IIAARN Cc1[nH]c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1C(=O)OC(C)C ZINC000008369067 569462599 /nfs/dbraw/zinc/46/25/99/569462599.db2.gz KIJBLAFIGQEHKJ-GOSISDBHSA-N 0 0 426.513 4.335 50 0 IIAARN O=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc2ccccc2c1 ZINC000038488274 569463006 /nfs/dbraw/zinc/46/30/06/569463006.db2.gz ZFBNGDATCJQXOB-UHFFFAOYSA-N 0 0 442.504 4.360 50 0 IIAARN O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000038516928 569463150 /nfs/dbraw/zinc/46/31/50/569463150.db2.gz DAGXKSBOYDRYOD-UHFFFAOYSA-N 0 0 437.956 4.298 50 0 IIAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 ZINC000008437972 569464320 /nfs/dbraw/zinc/46/43/20/569464320.db2.gz IJBTYVJCIRPCAH-UHFFFAOYSA-N 0 0 446.623 4.431 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 ZINC000067209024 569464756 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4.209 50 0 IIAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1F ZINC000067293106 569467821 /nfs/dbraw/zinc/46/78/21/569467821.db2.gz OGWZGSRUWOPHCL-DAAIQYDRSA-N 0 0 430.863 4.375 50 0 IIAARN CCOC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067299223 569468129 /nfs/dbraw/zinc/46/81/29/569468129.db2.gz SURKKVJROKADOI-RWEWTDSWSA-N 0 0 432.432 4.071 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(Cl)cc1 ZINC000067300551 569468190 /nfs/dbraw/zinc/46/81/90/569468190.db2.gz MQSURUPDAJJINZ-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN Cc1cccc(Cl)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301761 569468342 /nfs/dbraw/zinc/46/83/42/569468342.db2.gz IBZGHTHXZXJHCN-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(Cl)c2C)c1C ZINC000067322186 569468665 /nfs/dbraw/zinc/46/86/65/569468665.db2.gz KUBUMYAYBYJNAO-UHFFFAOYSA-N 0 0 448.310 4.101 50 0 IIAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067323134 569468718 /nfs/dbraw/zinc/46/87/18/569468718.db2.gz RIGVXHZKRLKHOA-UHFFFAOYSA-N 0 0 429.883 4.195 50 0 IIAARN O=C(NCCCCCc1nc(-c2cccs2)no1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000008709008 569470745 /nfs/dbraw/zinc/47/07/45/569470745.db2.gz NLTRALHFEGPDKC-UHFFFAOYSA-N 0 0 425.489 4.470 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCC(=O)c1ccc(Br)s1 ZINC000008725008 569472081 /nfs/dbraw/zinc/47/20/81/569472081.db2.gz FGVBNVODBRQBLF-UHFFFAOYSA-N 0 0 447.232 4.305 50 0 IIAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)COc1ccc(F)cc1Br ZINC000008726232 569472318 /nfs/dbraw/zinc/47/23/18/569472318.db2.gz LWMSHHMHUOCDQD-UHFFFAOYSA-N 0 0 445.288 4.217 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000008733860 569472520 /nfs/dbraw/zinc/47/25/20/569472520.db2.gz LQMFGQTWGPEGCE-OAHLLOKOSA-N 0 0 426.369 4.289 50 0 IIAARN O=c1/c(=C\c2nn(-c3ccccc3)cc2-c2cccs2)sc2nc3ccccc3n12 ZINC000008741770 569472934 /nfs/dbraw/zinc/47/29/34/569472934.db2.gz NSDVKVDLBOMSHJ-FYJGNVAPSA-N 0 0 426.526 4.371 50 0 IIAARN C[C@@H](Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCCCC1 ZINC000008750954 569473417 /nfs/dbraw/zinc/47/34/17/569473417.db2.gz VAXSXMZZWSKCAC-QGZVFWFLSA-N 0 0 448.560 4.257 50 0 IIAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000008770540 569475097 /nfs/dbraw/zinc/47/50/97/569475097.db2.gz PUKKLCDHARSQPS-GFMRDNFCSA-N 0 0 444.919 4.094 50 0 IIAARN O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008780337 569475617 /nfs/dbraw/zinc/47/56/17/569475617.db2.gz YACYABXEOGTJGK-UHFFFAOYSA-N 0 0 446.001 4.376 50 0 IIAARN CCCCCN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789186 569475932 /nfs/dbraw/zinc/47/59/32/569475932.db2.gz JRAKCTSMGHBYEI-DCFHFQCYSA-N 0 0 445.563 4.398 50 0 biogenic IIAARN CC1(C)CCc2c(cc(OCC(=O)Nc3ccccn3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008792291 569476323 /nfs/dbraw/zinc/47/63/23/569476323.db2.gz VGHWPNCGAOVZCT-UHFFFAOYSA-N 0 0 434.492 4.188 50 0 biogenic IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCc4ccncc4)ccc23)cc1 ZINC000008792025 569476348 /nfs/dbraw/zinc/47/63/48/569476348.db2.gz CHVKRLXIWYYNFW-KRWDZBQOSA-N 0 0 444.487 4.256 50 0 biogenic IIAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000008824764 569477258 /nfs/dbraw/zinc/47/72/58/569477258.db2.gz ZHPSLXVDTXXOOT-UHFFFAOYSA-N 0 0 445.497 4.161 50 0 IIAARN COc1cc(CCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc(OC)c1OC ZINC000008825460 569477384 /nfs/dbraw/zinc/47/73/84/569477384.db2.gz ZGGCMWZPHDBNTM-UHFFFAOYSA-N 0 0 436.888 4.203 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000008826033 569477477 /nfs/dbraw/zinc/47/74/77/569477477.db2.gz NYHGHSXONGNKQC-UHFFFAOYSA-N 0 0 431.945 4.219 50 0 IIAARN COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840962 569478381 /nfs/dbraw/zinc/47/83/81/569478381.db2.gz UNGLQGDOOUVPJN-UHFFFAOYSA-N 0 0 430.570 4.438 50 0 IIAARN COc1ccc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845247 569478760 /nfs/dbraw/zinc/47/87/60/569478760.db2.gz SMFZATJZXBGQKC-DEOSSOPVSA-N 0 0 445.475 4.446 50 0 IIAARN COc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845720 569478961 /nfs/dbraw/zinc/47/89/61/569478961.db2.gz CJJRLKPMBMCENQ-XMMPIXPASA-N 0 0 426.476 4.240 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCC3CCCCC3)cs2)c1 ZINC000008851207 569479384 /nfs/dbraw/zinc/47/93/84/569479384.db2.gz ALBRKBPLTWXYQI-UHFFFAOYSA-N 0 0 433.599 4.122 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000008851410 569479423 /nfs/dbraw/zinc/47/94/23/569479423.db2.gz XMCWDVMGOSVCHG-HNNXBMFYSA-N 0 0 441.578 4.302 50 0 IIAARN COc1ccc(Br)cc1/C=C1/SC(=N)N(c2ccc3c(c2)OCO3)C1=O ZINC000008856404 569479796 /nfs/dbraw/zinc/47/97/96/569479796.db2.gz VZQYJYBWQSSWCB-VXPQAWJTSA-N 0 0 433.283 4.242 50 0 IIAARN COc1cccc(N2C[C@H](CNC(=O)NC(c3ccccc3)c3ccccc3)OC2=O)c1 ZINC000008867987 569480294 /nfs/dbraw/zinc/48/02/94/569480294.db2.gz IMTUMUGPKOJFHO-QFIPXVFZSA-N 0 0 431.492 4.109 50 0 IIAARN COc1ccccc1Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 ZINC000008871097 569480722 /nfs/dbraw/zinc/48/07/22/569480722.db2.gz PYEPNEIVGHLCSJ-UHFFFAOYSA-N 0 0 443.532 4.215 50 0 IIAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008871500 569480814 /nfs/dbraw/zinc/48/08/14/569480814.db2.gz XBKLALKORRBOQP-AWEZNQCLSA-N 0 0 431.414 4.139 50 0 IIAARN CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000008878435 569481240 /nfs/dbraw/zinc/48/12/40/569481240.db2.gz UBXYPTCVSQPXFG-LJAQVGFWSA-N 0 0 430.957 4.431 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1C ZINC000039560971 569481738 /nfs/dbraw/zinc/48/17/38/569481738.db2.gz MUTJBCLKLAEIPY-SNVBAGLBSA-N 0 0 430.719 4.275 50 0 IIAARN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1F ZINC000008901719 569484345 /nfs/dbraw/zinc/48/43/45/569484345.db2.gz VXPIVEMCBLGUCY-LJQANCHMSA-N 0 0 426.579 4.182 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2coc(-c3ccc(F)cc3)n2)Cc2ccco2)cc1 ZINC000040051276 569484451 /nfs/dbraw/zinc/48/44/51/569484451.db2.gz QUVWABLWQKYJIB-UHFFFAOYSA-N 0 0 442.468 4.473 50 0 IIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000040059834 569484784 /nfs/dbraw/zinc/48/47/84/569484784.db2.gz SRAUWNYFZWUJRK-UHFFFAOYSA-N 0 0 434.330 4.210 50 0 IIAARN CC(=O)Nc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000040067336 569484957 /nfs/dbraw/zinc/48/49/57/569484957.db2.gz NTFPKVQBAUHCIM-QFIPXVFZSA-N 0 0 437.569 4.140 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)s1 ZINC000008912637 569485076 /nfs/dbraw/zinc/48/50/76/569485076.db2.gz YNYKHIXDGLMDFY-UHFFFAOYSA-N 0 0 444.004 4.174 50 0 IIAARN Cc1cc2occ(CC(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)c2c(C)c1 ZINC000008916678 569485780 /nfs/dbraw/zinc/48/57/80/569485780.db2.gz ALPQJQAWRZMRRH-HXUWFJFHSA-N 0 0 445.968 4.461 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 ZINC000008921719 569486882 /nfs/dbraw/zinc/48/68/82/569486882.db2.gz TVQVPOFOHNPKNC-INIZCTEOSA-N 0 0 437.905 4.059 50 0 IIAARN COc1ccc(OC)c(CC[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932513 569487708 /nfs/dbraw/zinc/48/77/08/569487708.db2.gz LGEPRWUGAHCIJX-UHFFFAOYSA-N 0 0 440.515 4.340 50 0 IIAARN COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933070 569487740 /nfs/dbraw/zinc/48/77/40/569487740.db2.gz MAFUTKVRDLCKIA-UHFFFAOYSA-N 0 0 438.487 4.047 50 0 IIAARN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1cccs1 ZINC000008937707 569488144 /nfs/dbraw/zinc/48/81/44/569488144.db2.gz ZWYCGQARJZRPGY-UHFFFAOYSA-N 0 0 436.942 4.453 50 0 IIAARN Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1NS(=O)(=O)c1ccccc1 ZINC000040108863 569488517 /nfs/dbraw/zinc/48/85/17/569488517.db2.gz HZRLDFQISIEPIU-JWTNVVGKSA-N 0 0 426.538 4.130 50 0 IIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008943318 569488771 /nfs/dbraw/zinc/48/87/71/569488771.db2.gz VICXEANVYUOKNT-HSZRJFAPSA-N 0 0 443.499 4.431 50 0 IIAARN CCSc1nc2c(cnn2CCNC(=O)c2cc3ccccc3o2)c(NCC(C)C)n1 ZINC000008949016 569489161 /nfs/dbraw/zinc/48/91/61/569489161.db2.gz UVKOMFCRCCLGEW-UHFFFAOYSA-N 0 0 438.557 4.182 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)N1CCc3ccccc31)c2=O ZINC000008955757 569490168 /nfs/dbraw/zinc/49/01/68/569490168.db2.gz IBILXJZUCMPQLL-UHFFFAOYSA-N 0 0 430.533 4.035 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)NCc1ccc(C)cc1)c2=O ZINC000008955807 569490181 /nfs/dbraw/zinc/49/01/81/569490181.db2.gz ULSJKKQCXHRXCC-UHFFFAOYSA-N 0 0 432.549 4.070 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)NC(C)C)C1 ZINC000040130106 569490236 /nfs/dbraw/zinc/49/02/36/569490236.db2.gz LXVWAHYISDSTLC-IBGZPJMESA-N 0 0 429.586 4.116 50 0 IIAARN C[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040133387 569490459 /nfs/dbraw/zinc/49/04/59/569490459.db2.gz RNDPVMSJZLEKFD-GXTWGEPZSA-N 0 0 428.842 4.122 50 0 IIAARN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(OC(F)F)cc1 ZINC000040134542 569490565 /nfs/dbraw/zinc/49/05/65/569490565.db2.gz SOLFZKRSRIWYNM-UHFFFAOYSA-N 0 0 428.233 4.201 50 0 IIAARN COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C ZINC000008961060 569490909 /nfs/dbraw/zinc/49/09/09/569490909.db2.gz KSCUOXUDQIMGER-UHFFFAOYSA-N 0 0 438.505 4.495 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000008966077 569491641 /nfs/dbraw/zinc/49/16/41/569491641.db2.gz GYNIIMRGGGVFCD-UHFFFAOYSA-N 0 0 430.489 4.092 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1CCCc2ccccc21 ZINC000008966227 569491715 /nfs/dbraw/zinc/49/17/15/569491715.db2.gz WQCZRMCMWRYCAX-UHFFFAOYSA-N 0 0 431.521 4.053 50 0 IIAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc12 ZINC000040144564 569492037 /nfs/dbraw/zinc/49/20/37/569492037.db2.gz BYRPAFDFBZBYDK-UHFFFAOYSA-N 0 0 425.414 4.115 50 0 IIAARN Cc1cc(C)n(-c2ccc(CNC(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)cn2)n1 ZINC000040145588 569492127 /nfs/dbraw/zinc/49/21/27/569492127.db2.gz MQCVTHBUCWQDNA-UHFFFAOYSA-N 0 0 444.539 4.307 50 0 IIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)c12 ZINC000040146840 569492372 /nfs/dbraw/zinc/49/23/72/569492372.db2.gz ADFNCUJSGDWKHE-UHFFFAOYSA-N 0 0 430.556 4.495 50 0 IIAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000040149590 569492567 /nfs/dbraw/zinc/49/25/67/569492567.db2.gz ODVFOLCHYONJFW-UHFFFAOYSA-N 0 0 446.551 4.274 50 0 IIAARN Cc1cc(O[C@@H](C)C(=O)NCc2ccncc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000008974535 569492845 /nfs/dbraw/zinc/49/28/45/569492845.db2.gz LYIVQTQXDLEJOO-IBGZPJMESA-N 0 0 442.515 4.479 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccccn1)c1ccc(Cl)cc1 ZINC000008979419 569492986 /nfs/dbraw/zinc/49/29/86/569492986.db2.gz DMKANGGCKBUMGK-INIZCTEOSA-N 0 0 426.929 4.180 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000008977460 569493022 /nfs/dbraw/zinc/49/30/22/569493022.db2.gz YBNATGSGPYKIDX-UHFFFAOYSA-N 0 0 444.915 4.478 50 0 IIAARN COCc1cc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc2c1OCOC2 ZINC000040151747 569493341 /nfs/dbraw/zinc/49/33/41/569493341.db2.gz PDFVENANIFJXOX-UHFFFAOYSA-N 0 0 436.439 4.343 50 0 IIAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c1 ZINC000040156153 569494054 /nfs/dbraw/zinc/49/40/54/569494054.db2.gz CVTBFCZKYDOWRK-MGPUTAFESA-N 0 0 428.558 4.232 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000040160294 569495087 /nfs/dbraw/zinc/49/50/87/569495087.db2.gz UXHOOWVFSJHTGC-UHFFFAOYSA-N 0 0 429.995 4.375 50 0 IIAARN CCOc1ccccc1N1CCN(c2nc(C)ncc2-c2nc(-c3ccsc3)no2)CC1 ZINC000244955781 569496588 /nfs/dbraw/zinc/49/65/88/569496588.db2.gz FZRAJSYGJHWGTD-UHFFFAOYSA-N 0 0 448.552 4.289 50 0 IIAARN Cc1nc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc3c(c2)OCO3)sc1C ZINC000040288211 569498456 /nfs/dbraw/zinc/49/84/56/569498456.db2.gz RFXCKHXBMCDPLE-PMACEKPBSA-N 0 0 435.505 4.038 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3c1cccc3Br)CC2 ZINC000040308930 569498660 /nfs/dbraw/zinc/49/86/60/569498660.db2.gz LQONHMABXDYPED-UHFFFAOYSA-N 0 0 443.341 4.396 50 0 biogenic IIAARN O=C(CNc1ccccc1Oc1ccccc1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009056846 569499132 /nfs/dbraw/zinc/49/91/32/569499132.db2.gz QOISIQKBZFAISF-HXUWFJFHSA-N 0 0 442.581 4.239 50 0 IIAARN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000009057313 569499144 /nfs/dbraw/zinc/49/91/44/569499144.db2.gz YXNIIWSCRIXJFR-LJQANCHMSA-N 0 0 431.945 4.097 50 0 IIAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000009057314 569499165 /nfs/dbraw/zinc/49/91/65/569499165.db2.gz YXNIIWSCRIXJFR-IBGZPJMESA-N 0 0 431.945 4.097 50 0 IIAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009076825 569500332 /nfs/dbraw/zinc/50/03/32/569500332.db2.gz PAGPAERHXOPPIS-QPLCGJKRSA-N 0 0 444.512 4.156 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245240054 569500596 /nfs/dbraw/zinc/50/05/96/569500596.db2.gz NZMGZIJFAYGAPN-QZTZHPFYSA-N 0 0 445.629 4.427 50 0 IIAARN Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)C4CCCC4)[C@@H](C)C3)cc3ccoc32)c1 ZINC000040382747 569500821 /nfs/dbraw/zinc/50/08/21/569500821.db2.gz RBVVURTXDFMPJI-IBGZPJMESA-N 0 0 433.552 4.454 50 0 IIAARN COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000009090035 569500986 /nfs/dbraw/zinc/50/09/86/569500986.db2.gz DTVMUTPAYGFGTR-LJQANCHMSA-N 0 0 437.443 4.187 50 0 IIAARN COCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cc(-c3cccs3)nc3ccccc32)N1 ZINC000009090683 569501028 /nfs/dbraw/zinc/50/10/28/569501028.db2.gz GBBCXIRKLZCBQF-HXUWFJFHSA-N 0 0 449.454 4.453 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009095585 569501430 /nfs/dbraw/zinc/50/14/30/569501430.db2.gz PZMJQFUUPHPIIG-UHFFFAOYSA-N 0 0 445.519 4.009 50 0 IIAARN CCCCOCCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc21 ZINC000009096581 569501431 /nfs/dbraw/zinc/50/14/31/569501431.db2.gz OPDZBGKPXBINLS-AREMUKBSSA-N 0 0 447.579 4.355 50 0 IIAARN CCOCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245261336 569501652 /nfs/dbraw/zinc/50/16/52/569501652.db2.gz 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524066519 /nfs/dbraw/zinc/06/65/19/524066519.db2.gz WIDBWRJBOAOIFM-UHFFFAOYSA-N 0 0 448.523 4.140 50 0 IIAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)c1 ZINC000035178669 524106037 /nfs/dbraw/zinc/10/60/37/524106037.db2.gz YIXPSJSDJJJBMX-QHCPKHFHSA-N 0 0 447.510 4.008 50 0 IIAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)c1 ZINC000035398233 524111210 /nfs/dbraw/zinc/11/12/10/524111210.db2.gz SFRQVPPISPXMPI-LJQANCHMSA-N 0 0 430.508 4.078 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2N)c1 ZINC000012348712 524126062 /nfs/dbraw/zinc/12/60/62/524126062.db2.gz ACRJPYPYYFPIPL-UHFFFAOYSA-N 0 0 441.866 4.370 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)c1 ZINC000033277355 524139036 /nfs/dbraw/zinc/13/90/36/524139036.db2.gz WKQYSFNTBYXQPG-UHFFFAOYSA-N 0 0 444.579 4.181 50 0 IIAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CC3)ccc2N(C)C)C[C@@H]2CCCO2)c1 ZINC000035944752 524166635 /nfs/dbraw/zinc/16/66/35/524166635.db2.gz SPFQKOZHYUPHJI-QHCPKHFHSA-N 0 0 435.568 4.231 50 0 IIAARN Cc1ccc(C)c(OC[C@H](O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1C ZINC000012922176 524181898 /nfs/dbraw/zinc/18/18/98/524181898.db2.gz BUMJWYOMZDUIKP-GOSISDBHSA-N 0 0 432.442 4.294 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022907987 524191976 /nfs/dbraw/zinc/19/19/76/524191976.db2.gz MGIOFXKBDQQRPS-NRFANRHFSA-N 0 0 426.607 4.443 50 0 IIAARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(C)c3s2)c(C)n1Cc1ccco1 ZINC000022887356 524198245 /nfs/dbraw/zinc/19/82/45/524198245.db2.gz WUSLQHSGUCDSSC-OAHLLOKOSA-N 0 0 425.510 4.431 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000012744974 524222119 /nfs/dbraw/zinc/22/21/19/524222119.db2.gz JSBHCZULGGNRTP-UHFFFAOYSA-N 0 0 429.929 4.491 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(OCc2ccc(C)cc2)c(=O)cc1C ZINC000012230626 524232367 /nfs/dbraw/zinc/23/23/67/524232367.db2.gz ZIMLYHGGKHHNLR-UHFFFAOYSA-N 0 0 426.900 4.345 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012198035 524249024 /nfs/dbraw/zinc/24/90/24/524249024.db2.gz CGQIGGKKNDUGOE-FQEVSTJZSA-N 0 0 444.380 4.008 50 0 IIAARN COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)nn1 ZINC000022484715 524269366 /nfs/dbraw/zinc/26/93/66/524269366.db2.gz GJUOPJQBJQVBQJ-IBGZPJMESA-N 0 0 430.508 4.210 50 0 IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1 ZINC000021282401 524277448 /nfs/dbraw/zinc/27/74/48/524277448.db2.gz WKFPHHNZLWZUTF-LJQANCHMSA-N 0 0 446.503 4.396 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c(C)c1 ZINC000012819094 524284270 /nfs/dbraw/zinc/28/42/70/524284270.db2.gz PAZMPCVIWXJIJO-UHFFFAOYSA-N 0 0 434.515 4.136 50 0 IIAARN Cc1cc(C)c(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000021942439 524285175 /nfs/dbraw/zinc/28/51/75/524285175.db2.gz PXVWQCKSSILSEZ-UHFFFAOYSA-N 0 0 433.533 4.007 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccncc2)n1-c1ccc(C)cc1 ZINC000035819013 524289520 /nfs/dbraw/zinc/28/95/20/524289520.db2.gz RFWPHBIGVIRJBE-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1ccc(F)cc1F)nnc2C ZINC000023137842 524307541 /nfs/dbraw/zinc/30/75/41/524307541.db2.gz ACXIAMLWLAZRSI-UHFFFAOYSA-N 0 0 441.463 4.142 50 0 IIAARN Cc1cc(C)c2c(n1)nc(S[C@@H](C)C(=O)Nc1ccc(Br)cc1)[nH]c2=O ZINC000012760205 524341786 /nfs/dbraw/zinc/34/17/86/524341786.db2.gz DIIDQHVQWPKIIQ-NSHDSACASA-N 0 0 433.331 4.229 50 0 IIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000020939231 524347856 /nfs/dbraw/zinc/34/78/56/524347856.db2.gz MDSAXQZBRIAHKM-UHFFFAOYSA-N 0 0 433.537 4.168 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(Cc3ccsc3)CC2)cc1 ZINC000022787962 524368686 /nfs/dbraw/zinc/36/86/86/524368686.db2.gz UGBLRMOGMBMXKO-UHFFFAOYSA-N 0 0 441.622 4.169 50 0 IIAARN Cc1cc(C)cc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)c1 ZINC000012445725 524413558 /nfs/dbraw/zinc/41/35/58/524413558.db2.gz USXLDVVKDJUEKY-IBGZPJMESA-N 0 0 426.314 4.063 50 0 IIAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)o1 ZINC000016650283 524419997 /nfs/dbraw/zinc/41/99/97/524419997.db2.gz AMGJYZVJZQRFSJ-UHFFFAOYSA-N 0 0 448.519 4.396 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)c1 ZINC000035535126 524422585 /nfs/dbraw/zinc/42/25/85/524422585.db2.gz KMOVIYZHUPNINR-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021860987 524433917 /nfs/dbraw/zinc/43/39/17/524433917.db2.gz JEFONCHIOQBSRJ-LPOPLRKUSA-N 0 0 444.579 4.454 50 0 IIAARN COc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1 ZINC000035552436 524442984 /nfs/dbraw/zinc/44/29/84/524442984.db2.gz LUFOVGXMVVAWRX-SFHVURJKSA-N 0 0 446.507 4.394 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2)n1 ZINC000014574414 524483632 /nfs/dbraw/zinc/48/36/32/524483632.db2.gz ZTWKXDMETKMCJK-UHFFFAOYSA-N 0 0 426.402 4.341 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)cc1Cl ZINC000012320340 524484243 /nfs/dbraw/zinc/48/42/43/524484243.db2.gz WQVGTXQBRXXRIQ-GOSISDBHSA-N 0 0 429.948 4.334 50 0 IIAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)c(OC)c1 ZINC000012925515 524508043 /nfs/dbraw/zinc/50/80/43/524508043.db2.gz GPXGDMBKGMGNFB-UHFFFAOYSA-N 0 0 445.537 4.207 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccs2)cc1 ZINC000012807091 524527973 /nfs/dbraw/zinc/52/79/73/524527973.db2.gz URZJFIVUAZQCHS-OAHLLOKOSA-N 0 0 430.551 4.073 50 0 IIAARN C[C@@H](CCc1ccco1)NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000012893188 524543282 /nfs/dbraw/zinc/54/32/82/524543282.db2.gz JSLOZLIEIVYOTJ-INIZCTEOSA-N 0 0 433.460 4.275 50 0 biogenic IIAARN Cc1cccc(N2CCN(C(=O)c3ccccc3OCc3cn4ccccc4n3)CC2)c1 ZINC000012604391 524552563 /nfs/dbraw/zinc/55/25/63/524552563.db2.gz WEANJLDTYCSYSP-UHFFFAOYSA-N 0 0 426.520 4.184 50 0 IIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000012344260 524557453 /nfs/dbraw/zinc/55/74/53/524557453.db2.gz OCTTYQDJLWTPQY-QHCPKHFHSA-N 0 0 437.496 4.160 50 0 IIAARN COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3cccc(C)c3)no2)CC1 ZINC000033004330 524566857 /nfs/dbraw/zinc/56/68/57/524566857.db2.gz JAJBTHFTCUXVOU-UHFFFAOYSA-N 0 0 427.508 4.442 50 0 IIAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 ZINC000012062129 524567875 /nfs/dbraw/zinc/56/78/75/524567875.db2.gz RMZANCDJMJIQGL-FQEVSTJZSA-N 0 0 430.552 4.268 50 0 IIAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)CC1=O ZINC000015922063 524578995 /nfs/dbraw/zinc/57/89/95/524578995.db2.gz FTCFTZQANRGVOO-IBGZPJMESA-N 0 0 448.567 4.211 50 0 IIAARN Cc1cc(C2=NNC(=Nc3c(C)cccc3C)SC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000015404157 524604402 /nfs/dbraw/zinc/60/44/02/524604402.db2.gz BICKIXAQZSDAIL-QGZVFWFLSA-N 0 0 430.599 4.000 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc3c4cc(F)ccc4n(Cc4ccccc4)cc-3c2=O)c1 ZINC000020937191 524610882 /nfs/dbraw/zinc/61/08/82/524610882.db2.gz UCEBGDSXGRKKQI-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000001141948 524633169 /nfs/dbraw/zinc/63/31/69/524633169.db2.gz FBBSDVFKDBHHGB-UHFFFAOYSA-N 0 0 440.521 4.090 50 0 IIAARN Cc1ccc(CSc2nnc(NC(=O)c3ccc(CN4CCOCC4)cc3)s2)cc1 ZINC000022227893 524649838 /nfs/dbraw/zinc/64/98/38/524649838.db2.gz VHPKFPZFXDWZQT-UHFFFAOYSA-N 0 0 440.594 4.223 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(C)cc3)c2)cc1 ZINC000012526312 524688744 /nfs/dbraw/zinc/68/87/44/524688744.db2.gz ZYXMJZCJVSSLQB-UHFFFAOYSA-N 0 0 438.549 4.385 50 0 IIAARN Cc1cc(CN2CCN(CC(=O)c3c4ccccc4[nH]c3-c3ccc(F)cc3)CC2)no1 ZINC000022789317 524694663 /nfs/dbraw/zinc/69/46/63/524694663.db2.gz GJLQXQGUSNBLRM-UHFFFAOYSA-N 0 0 432.499 4.271 50 0 IIAARN Cc1cc(CN2CCN([C@@H](C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3)CC2)no1 ZINC000022799416 524696393 /nfs/dbraw/zinc/69/63/93/524696393.db2.gz QOKGHFCSLJGOAN-HSZRJFAPSA-N 0 0 438.959 4.442 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000021645373 524742740 /nfs/dbraw/zinc/74/27/40/524742740.db2.gz KRKKGVYAUHISMJ-UHFFFAOYSA-N 0 0 447.926 4.379 50 0 IIAARN Cc1cccc(OCCOc2ccc(Br)cc2/C=C2\SC(=N)NC2=O)c1 ZINC000015800648 524749100 /nfs/dbraw/zinc/74/91/00/524749100.db2.gz KHQOBAWURBGZGE-BOPFTXTBSA-N 0 0 433.327 4.354 50 0 IIAARN COc1ccc(OC)c(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(F)cc3)no2)c1 ZINC000036012532 524790766 /nfs/dbraw/zinc/79/07/66/524790766.db2.gz PHMITVSJNZETQS-FQEVSTJZSA-N 0 0 440.471 4.319 50 0 IIAARN COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)N(C)C ZINC000021805274 524794324 /nfs/dbraw/zinc/79/43/24/524794324.db2.gz KUQROEDEKADUNG-SFHVURJKSA-N 0 0 444.329 4.145 50 0 IIAARN COc1ccc(OC)c(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)c1 ZINC000022077877 524821631 /nfs/dbraw/zinc/82/16/31/524821631.db2.gz XVGGJKGWPMWBEW-XMMPIXPASA-N 0 0 429.524 4.209 50 0 IIAARN COc1ccc(OC)c(CNC(=O)[C@H]2CC(C(c3ccccc3)c3ccccc3)=NO2)c1 ZINC000012281065 524832059 /nfs/dbraw/zinc/83/20/59/524832059.db2.gz FHJJKSQCMLEQNX-XMMPIXPASA-N 0 0 430.504 4.297 50 0 IIAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045600 524916366 /nfs/dbraw/zinc/91/63/66/524916366.db2.gz HFQAPINGACBRDC-DHIUTWEWSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc(OCCN2CCN(Cc3cc4ccc(OC)cc4nc3Cl)CC2)cc1 ZINC000022912606 524957584 /nfs/dbraw/zinc/95/75/84/524957584.db2.gz UXKCCDDLAOQGSR-UHFFFAOYSA-N 0 0 441.959 4.102 50 0 IIAARN C[C@H]1Cn2cc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532015 524999331 /nfs/dbraw/zinc/99/93/31/524999331.db2.gz QWSJTRGPUKQCQP-LURJTMIESA-N 0 0 444.743 4.384 50 0 IIAARN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012217416 525005564 /nfs/dbraw/zinc/00/55/64/525005564.db2.gz VICSUKBPPORHTR-SFHVURJKSA-N 0 0 426.520 4.257 50 0 IIAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1C ZINC000012844691 525016449 /nfs/dbraw/zinc/01/64/49/525016449.db2.gz XWXXTUDYCFPTGC-UHFFFAOYSA-N 0 0 449.580 4.194 50 0 IIAARN Cc1ccccc1-c1noc(CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)n1 ZINC000035483907 525020266 /nfs/dbraw/zinc/02/02/66/525020266.db2.gz MRMPPOAYOVIHPX-UHFFFAOYSA-N 0 0 434.456 4.287 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OC(F)F)c(C)c1 ZINC000020754826 525023213 /nfs/dbraw/zinc/02/32/13/525023213.db2.gz VNUIDZLQZLHAMT-LJQANCHMSA-N 0 0 425.439 4.424 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccccc4F)ccc32)cc1 ZINC000016954466 525033986 /nfs/dbraw/zinc/03/39/86/525033986.db2.gz CXWPDDBBTXRZNZ-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1NC(C)=O ZINC000015357930 525044157 /nfs/dbraw/zinc/04/41/57/525044157.db2.gz UNIQOWSVIVOVHU-QFIPXVFZSA-N 0 0 442.562 4.052 50 0 IIAARN Cc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1Cl ZINC000016312949 525049139 /nfs/dbraw/zinc/04/91/39/525049139.db2.gz VIDUVSCMVCNCBG-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN Cc1ccc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)cc1 ZINC000021942459 525059066 /nfs/dbraw/zinc/05/90/66/525059066.db2.gz UPNJAIFEJUVGOG-UHFFFAOYSA-N 0 0 439.924 4.044 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(CCOc2ccccc2)C1=O ZINC000035909164 525064479 /nfs/dbraw/zinc/06/44/79/525064479.db2.gz ALXWNUBHGCKGNK-QGZVFWFLSA-N 0 0 434.467 4.267 50 0 IIAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)nc(C(C)C)n1 ZINC000021672491 525083068 /nfs/dbraw/zinc/08/30/68/525083068.db2.gz HLGJTEFOAHTSNT-MRXNPFEDSA-N 0 0 435.494 4.076 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1I ZINC000012383096 525088962 /nfs/dbraw/zinc/08/89/62/525088962.db2.gz PDSFCYAUOTYKCO-UHFFFAOYSA-N 0 0 431.295 4.224 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc(C)cc(C)c2)c2cccs2)cc1 ZINC000015780843 525092632 /nfs/dbraw/zinc/09/26/32/525092632.db2.gz LYWFPDAXQWSPDK-OAQYLSRUSA-N 0 0 429.563 4.319 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl ZINC000035535311 525104350 /nfs/dbraw/zinc/10/43/50/525104350.db2.gz YBOMCWBFRUYDNC-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN Cc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000035482771 525120560 /nfs/dbraw/zinc/12/05/60/525120560.db2.gz AZJGBBLTIJDGEE-UHFFFAOYSA-N 0 0 443.931 4.328 50 0 IIAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012782058 525128003 /nfs/dbraw/zinc/12/80/03/525128003.db2.gz OFLKWHWZMKVJBA-YLUBKRJZSA-N 0 0 440.569 4.259 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021860626 525134070 /nfs/dbraw/zinc/13/40/70/525134070.db2.gz YHRNYSUKPDSDJE-AREMUKBSSA-N 0 0 430.552 4.208 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@@H](C)[C@@H]2C)on1 ZINC000012806635 525156431 /nfs/dbraw/zinc/15/64/31/525156431.db2.gz SDWDWLUZZAECIG-QIIPPGSGSA-N 0 0 426.542 4.421 50 0 IIAARN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1 ZINC000020560694 525171578 /nfs/dbraw/zinc/17/15/78/525171578.db2.gz NNULONSSZIPOCO-OAQYLSRUSA-N 0 0 430.460 4.150 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561235 525171670 /nfs/dbraw/zinc/17/16/70/525171670.db2.gz LGLWVDZDHBTDSV-JOCHJYFZSA-N 0 0 448.494 4.247 50 0 IIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC2CC2)C(=O)NC(C)C)n1C(C)C ZINC000036031613 525181485 /nfs/dbraw/zinc/18/14/85/525181485.db2.gz LWBHZKYYHRRWIG-UHFFFAOYSA-N 0 0 446.617 4.076 50 0 IIAARN C[C@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccc(F)cc1 ZINC000012513670 525200373 /nfs/dbraw/zinc/20/03/73/525200373.db2.gz CLTCYZLSJFDGNV-ZDUSSCGKSA-N 0 0 449.935 4.451 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1Cl ZINC000021852274 525200393 /nfs/dbraw/zinc/20/03/93/525200393.db2.gz ORKQPOKQALFXEM-XMMPIXPASA-N 0 0 440.975 4.278 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccn1 ZINC000015678121 525202647 /nfs/dbraw/zinc/20/26/47/525202647.db2.gz RTPMQBBDVFBKCS-AREMUKBSSA-N 0 0 445.567 4.075 50 0 IIAARN Cc1cc(NC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)ccc1Br ZINC000021882804 525205008 /nfs/dbraw/zinc/20/50/08/525205008.db2.gz NKCUIGHTWOWJNH-UHFFFAOYSA-N 0 0 427.302 4.448 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000012734376 525211889 /nfs/dbraw/zinc/21/18/89/525211889.db2.gz VLKMFCFXASREBB-KRWDZBQOSA-N 0 0 446.389 4.053 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295220 525212473 /nfs/dbraw/zinc/21/24/73/525212473.db2.gz DLSOYNIVDJYXRY-IAGOWNOFSA-N 0 0 442.629 4.287 50 0 IIAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441777 525213185 /nfs/dbraw/zinc/21/31/85/525213185.db2.gz OQRIYDBGNQUPKA-GOSISDBHSA-N 0 0 443.532 4.296 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1 ZINC000012641068 525213837 /nfs/dbraw/zinc/21/38/37/525213837.db2.gz WPZIIKYQQOXSIP-QZTJIDSGSA-N 0 0 439.581 4.406 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000020680515 525215889 /nfs/dbraw/zinc/21/58/89/525215889.db2.gz DBNWSZCHSJDIPT-FQRUVTKNSA-N 0 0 428.532 4.411 50 0 IIAARN C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000012778470 525216932 /nfs/dbraw/zinc/21/69/32/525216932.db2.gz KYGGJPOVPNLCOH-MRXNPFEDSA-N 0 0 435.977 4.075 50 0 IIAARN Cc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862651 525220911 /nfs/dbraw/zinc/22/09/11/525220911.db2.gz PCBRNECLZOEDGF-AREMUKBSSA-N 0 0 430.552 4.225 50 0 IIAARN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 ZINC000012521283 525231013 /nfs/dbraw/zinc/23/10/13/525231013.db2.gz LVNYDODRFFSJPE-KPZWWZAWSA-N 0 0 443.352 4.092 50 0 IIAARN CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1Cl ZINC000012779706 525239186 /nfs/dbraw/zinc/23/91/86/525239186.db2.gz GEERYRGHHJGDEE-UHFFFAOYSA-N 0 0 443.834 4.200 50 0 IIAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CC2=CCCCC2)C3)cc1 ZINC000012219087 525240794 /nfs/dbraw/zinc/24/07/94/525240794.db2.gz JCYDSOZBRXLNOR-HXUWFJFHSA-N 0 0 425.550 4.067 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799917 525242781 /nfs/dbraw/zinc/24/27/81/525242781.db2.gz MDOGDKZBQVFSEQ-QFIPXVFZSA-N 0 0 425.529 4.218 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)nc1 ZINC000012824302 525245129 /nfs/dbraw/zinc/24/51/29/525245129.db2.gz YARTUYNPGYLYPB-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012756190 525245585 /nfs/dbraw/zinc/24/55/85/525245585.db2.gz HQGKXZOUMBIJQW-SFHVURJKSA-N 0 0 437.323 4.104 50 0 IIAARN Cc1cc(NC(=O)c2cccc(-n3cnnc3)n2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000021721080 525250790 /nfs/dbraw/zinc/25/07/90/525250790.db2.gz UWEGGAGTRIFFEM-UHFFFAOYSA-N 0 0 438.447 4.222 50 0 IIAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4cccs4)CC3)n2)cc1Cl ZINC000034678316 525255580 /nfs/dbraw/zinc/25/55/80/525255580.db2.gz APTRPPHYAZSGOV-UHFFFAOYSA-N 0 0 430.961 4.268 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000012536758 525273900 /nfs/dbraw/zinc/27/39/00/525273900.db2.gz RQWIDAAOWBYAAQ-LBPRGKRZSA-N 0 0 430.484 4.044 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000021360905 525364998 /nfs/dbraw/zinc/36/49/98/525364998.db2.gz OBSRBOKDOUHEPY-UHFFFAOYSA-N 0 0 445.567 4.253 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCC5)c(OC)c1OC ZINC000012296359 525404804 /nfs/dbraw/zinc/40/48/04/525404804.db2.gz JDWNATUWKYSSHQ-GOSISDBHSA-N 0 0 436.460 4.322 50 0 biogenic IIAARN Cc1cc(SCC(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)cc1Br ZINC000022442921 525431975 /nfs/dbraw/zinc/43/19/75/525431975.db2.gz XDCLBOVFDCYDPX-UHFFFAOYSA-N 0 0 447.398 4.143 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000035826275 525441367 /nfs/dbraw/zinc/44/13/67/525441367.db2.gz RVABEOPNBPVANZ-DEOSSOPVSA-N 0 0 427.504 4.451 50 0 IIAARN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)cc2)cc1 ZINC000012757110 525473752 /nfs/dbraw/zinc/47/37/52/525473752.db2.gz YQWWRRWWOPYKPL-QHCPKHFHSA-N 0 0 436.533 4.112 50 0 IIAARN Cc1ccc(Oc2ccc(OCC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)cc1 ZINC000012916216 525475714 /nfs/dbraw/zinc/47/57/14/525475714.db2.gz DTXCBCVYWOECFT-UHFFFAOYSA-N 0 0 429.476 4.061 50 0 IIAARN COc1ccc2[nH]c(CNC(=O)c3cn(C(c4ccccc4)c4ccccc4)nn3)cc2c1 ZINC000012430902 525481513 /nfs/dbraw/zinc/48/15/13/525481513.db2.gz LSJLVUCOIYCFQW-UHFFFAOYSA-N 0 0 437.503 4.336 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4ccc(Br)cc43)c2c1 ZINC000020763457 525491963 /nfs/dbraw/zinc/49/19/63/525491963.db2.gz SBPMNZUUUZPQRS-UHFFFAOYSA-N 0 0 426.314 4.253 50 0 biogenic IIAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3F)CC1)=Nc1ccccc1O2 ZINC000034813128 525507927 /nfs/dbraw/zinc/50/79/27/525507927.db2.gz GGKYAGGRXACJBA-UHFFFAOYSA-N 0 0 431.467 4.476 50 0 IIAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035684938 525508224 /nfs/dbraw/zinc/50/82/24/525508224.db2.gz DNRUXZZTLBATLQ-CQSZACIVSA-N 0 0 434.805 4.451 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccco2)cc1 ZINC000012758320 525508974 /nfs/dbraw/zinc/50/89/74/525508974.db2.gz BEJLLEYLWRBDRY-UHFFFAOYSA-N 0 0 426.538 4.343 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2F)Cc2ccco2)cc1 ZINC000012808965 525509279 /nfs/dbraw/zinc/50/92/79/525509279.db2.gz JYHQPNWLTGRSBA-UHFFFAOYSA-N 0 0 436.892 4.210 50 0 IIAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)NCc2ccccc2)CC1 ZINC000034814049 525569283 /nfs/dbraw/zinc/56/92/83/525569283.db2.gz ZZQVHKSNTNOEBM-UHFFFAOYSA-N 0 0 442.519 4.407 50 0 IIAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)sc2cccc(F)c12 ZINC000012754141 525583304 /nfs/dbraw/zinc/58/33/04/525583304.db2.gz SUKNKDUCSDLSPD-UHFFFAOYSA-N 0 0 425.529 4.054 50 0 IIAARN Cc1ccn(C[C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 ZINC000020615883 525603193 /nfs/dbraw/zinc/60/31/93/525603193.db2.gz LRWCONINASSKES-ZDUSSCGKSA-N 0 0 433.459 4.429 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCCOC1CCCCC1 ZINC000021971948 525605816 /nfs/dbraw/zinc/60/58/16/525605816.db2.gz UHVUIIOKLBBXRA-UHFFFAOYSA-N 0 0 448.560 4.404 50 0 IIAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc2NC1=O ZINC000011904343 525610406 /nfs/dbraw/zinc/61/04/06/525610406.db2.gz HRHORLXCHCSJSK-NSHDSACASA-N 0 0 429.885 4.200 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cc1C ZINC000012585356 525615981 /nfs/dbraw/zinc/61/59/81/525615981.db2.gz CKCRKVHIRRANPY-UHFFFAOYSA-N 0 0 438.505 4.128 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000012536273 525618964 /nfs/dbraw/zinc/61/89/64/525618964.db2.gz VVNKESFJOBNXKG-UHFFFAOYSA-N 0 0 434.514 4.044 50 0 IIAARN Cc1c(C(=O)NC[C@@H]2OCCc3ccccc32)sc2ncnc(NCc3ccccn3)c12 ZINC000012190968 525621689 /nfs/dbraw/zinc/62/16/89/525621689.db2.gz XDCGUQSQRNFYOG-IBGZPJMESA-N 0 0 445.548 4.051 50 0 IIAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4c(OC)cccc4OC)c3)cn2n1 ZINC000012441289 525655497 /nfs/dbraw/zinc/65/54/97/525655497.db2.gz FIYWRWWVZZBPAZ-UHFFFAOYSA-N 0 0 438.871 4.328 50 0 IIAARN Cc1c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cnn1-c1ccc(Cl)cc1 ZINC000012929698 525662647 /nfs/dbraw/zinc/66/26/47/525662647.db2.gz JWGDGZMQUYTSIR-ZIAGYGMSSA-N 0 0 445.976 4.152 50 0 IIAARN Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)C4CCCCC4)c3)cc(=O)n2o1 ZINC000041077240 525671179 /nfs/dbraw/zinc/67/11/79/525671179.db2.gz OQCVNFPSALEFTL-UHFFFAOYSA-N 0 0 443.887 4.125 50 0 IIAARN COc1ccc2nc(NC(=O)CSc3n[nH]c(-c4ccc(Cl)cc4)n3)sc2c1 ZINC000012851435 525672328 /nfs/dbraw/zinc/67/23/28/525672328.db2.gz TYZJHIUEOJEGDT-UHFFFAOYSA-N 0 0 431.930 4.474 50 0 IIAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1S(=O)(=O)c1ccccc1 ZINC000012323582 525684889 /nfs/dbraw/zinc/68/48/89/525684889.db2.gz GGBWPDQSAXBAKR-NRFANRHFSA-N 0 0 438.549 4.104 50 0 IIAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccc3)CC(C)C)no2)c1 ZINC000034922620 525700534 /nfs/dbraw/zinc/70/05/34/525700534.db2.gz PRTBPZLNFVPWJO-UHFFFAOYSA-N 0 0 449.551 4.197 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325924 525727116 /nfs/dbraw/zinc/72/71/16/525727116.db2.gz FCSMNUQYDMNGBG-QGZVFWFLSA-N 0 0 445.491 4.057 50 0 IIAARN Cc1ccc(-c2ccc(Nc3cc(F)ccc3F)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000035512719 525754970 /nfs/dbraw/zinc/75/49/70/525754970.db2.gz SCAHKBAZCBIKIT-UHFFFAOYSA-N 0 0 430.480 4.258 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN([C@@H]2N=CNc3c2nc2n3CCCCC2)C1 ZINC000020556991 525774634 /nfs/dbraw/zinc/77/46/34/525774634.db2.gz FUHUCRPROBQEPZ-IERDGZPVSA-N 0 0 440.979 4.184 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012560978 525776353 /nfs/dbraw/zinc/77/63/53/525776353.db2.gz TVXPXZJCJJBACG-UHFFFAOYSA-N 0 0 444.896 4.430 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)CCC(=O)N5)c(=O)c23)s1 ZINC000012769292 525787687 /nfs/dbraw/zinc/78/76/87/525787687.db2.gz KCASUYRVYVKLDY-UHFFFAOYSA-N 0 0 435.530 4.263 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1F ZINC000021809506 525789995 /nfs/dbraw/zinc/78/99/95/525789995.db2.gz MVTRQEZVYGKXEE-QHCPKHFHSA-N 0 0 425.529 4.315 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021865442 525804065 /nfs/dbraw/zinc/80/40/65/525804065.db2.gz 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O=c1cc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c2ccc(O)cc2o1 ZINC000021247371 527481181 /nfs/dbraw/zinc/48/11/81/527481181.db2.gz JUAOHCJWCGCZET-UHFFFAOYSA-N 0 0 448.548 4.358 50 0 IIAARN O=c1ccc(-c2ccc(F)cc2)nn1CCc1nc(-c2ccccc2Br)no1 ZINC000033309856 527484509 /nfs/dbraw/zinc/48/45/09/527484509.db2.gz QTRYVEGTMGHBJP-UHFFFAOYSA-N 0 0 441.260 4.105 50 0 IIAARN O=C(NC1CCCCC1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017192418 527517409 /nfs/dbraw/zinc/51/74/09/527517409.db2.gz WGQQYXDIDUNRGE-UHFFFAOYSA-N 0 0 444.510 4.389 50 0 IIAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)N1CCc2ccccc2C1 ZINC000033258666 527519049 /nfs/dbraw/zinc/51/90/49/527519049.db2.gz GJKMWDDFEVCYNQ-UHFFFAOYSA-N 0 0 425.492 4.307 50 0 IIAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)NCc1ccccn1 ZINC000033258622 527519254 /nfs/dbraw/zinc/51/92/54/527519254.db2.gz ABQJBZHGJXHIJV-UHFFFAOYSA-N 0 0 428.496 4.213 50 0 IIAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000040131477 527521700 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IIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008995439 536549437 /nfs/dbraw/zinc/54/94/37/536549437.db2.gz SQKZXCRIYRQWKZ-UHFFFAOYSA-N 0 0 439.899 4.156 50 0 IIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cccc(C)n2)CC1 ZINC000009429820 536970643 /nfs/dbraw/zinc/97/06/43/536970643.db2.gz KNAQWUZOUIDHHT-UHFFFAOYSA-N 0 0 428.540 4.052 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000009569446 537002158 /nfs/dbraw/zinc/00/21/58/537002158.db2.gz HVRNOPKKRQECMF-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000008596088 537128758 /nfs/dbraw/zinc/12/87/58/537128758.db2.gz VCUZREAOTDZVKS-MRXNPFEDSA-N 0 0 447.470 4.288 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000652501 555523529 /nfs/dbraw/zinc/52/35/29/555523529.db2.gz QNDINFYRCFHUTA-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000000653258 555523837 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COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)cc1 ZINC000000676426 555534662 /nfs/dbraw/zinc/53/46/62/555534662.db2.gz ICJBPJIJJOICQL-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN COc1cccc(NC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000000676724 555534920 /nfs/dbraw/zinc/53/49/20/555534920.db2.gz XGSPQTSZPOSACO-UHFFFAOYSA-N 0 0 429.723 4.003 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 ZINC000000676974 555535501 /nfs/dbraw/zinc/53/55/01/555535501.db2.gz SDPIXEXKNVCXSV-UHFFFAOYSA-N 0 0 445.610 4.295 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 ZINC000000678533 555536026 /nfs/dbraw/zinc/53/60/26/555536026.db2.gz CTLKIDIIFRRDDR-UHFFFAOYSA-N 0 0 437.550 4.316 50 0 IIAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)NCCc1ccccc1 ZINC000000683127 555538553 /nfs/dbraw/zinc/53/85/53/555538553.db2.gz RMLAIWLJYTYWAJ-LBPRGKRZSA-N 0 0 427.136 4.338 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1C ZINC000000692637 555542365 /nfs/dbraw/zinc/54/23/65/555542365.db2.gz QPHMQLAFZPZNPE-UHFFFAOYSA-N 0 0 433.508 4.350 50 0 IIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 ZINC000000703585 555543942 /nfs/dbraw/zinc/54/39/42/555543942.db2.gz VDFGXCSDYIDKJC-HSZRJFAPSA-N 0 0 438.491 4.180 50 0 IIAARN O=C(CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)Nc1nccs1 ZINC000000706603 555545134 /nfs/dbraw/zinc/54/51/34/555545134.db2.gz QLSLGGDKPDUXJA-UHFFFAOYSA-N 0 0 432.534 4.215 50 0 IIAARN O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(c1ccccc1)c1ccccc1 ZINC000000713385 555547970 /nfs/dbraw/zinc/54/79/70/555547970.db2.gz JEIDRTRHVSIQNB-OAQYLSRUSA-N 0 0 440.499 4.232 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000000717388 555549238 /nfs/dbraw/zinc/54/92/38/555549238.db2.gz MIAWUMQLBYYOFV-XZOQPEGZSA-N 0 0 445.471 4.185 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC(C)(C)OC2 ZINC000000752941 555553546 /nfs/dbraw/zinc/55/35/46/555553546.db2.gz GAIGENRJQXZCMC-UHFFFAOYSA-N 0 0 428.304 4.384 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1C ZINC000000786385 555556410 /nfs/dbraw/zinc/55/64/10/555556410.db2.gz LWQKOEFBHUSQTP-UHFFFAOYSA-N 0 0 425.348 4.040 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1OC ZINC000000815268 555561365 /nfs/dbraw/zinc/56/13/65/555561365.db2.gz AXKXBLQTIMLLAZ-UHFFFAOYSA-N 0 0 438.434 4.281 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000000816902 555562858 /nfs/dbraw/zinc/56/28/58/555562858.db2.gz VXEJWBNGKKXBNR-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000818257 555563106 /nfs/dbraw/zinc/56/31/06/555563106.db2.gz BUKBVPUVGVGDFJ-UHFFFAOYSA-N 0 0 425.293 4.462 50 0 IIAARN CCOc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000000821300 555563814 /nfs/dbraw/zinc/56/38/14/555563814.db2.gz ANMFSAMMEFEOMI-UHFFFAOYSA-N 0 0 428.485 4.058 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)cc1 ZINC000000844985 555569012 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CCN(CC)C(=O)C(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000002877239 555852853 /nfs/dbraw/zinc/85/28/53/555852853.db2.gz RASCXWSOBUWFIT-UHFFFAOYSA-N 0 0 445.441 4.350 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1Br ZINC000002878055 555853243 /nfs/dbraw/zinc/85/32/43/555853243.db2.gz TTYUNVNAELELPE-GFCCVEGCSA-N 0 0 445.766 4.204 50 0 IIAARN CCOC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000002881201 555855298 /nfs/dbraw/zinc/85/52/98/555855298.db2.gz ZGRBFZZHBGBXHY-QGZVFWFLSA-N 0 0 449.503 4.470 50 0 IIAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002911950 555862282 /nfs/dbraw/zinc/86/22/82/555862282.db2.gz PQEHNNKBQVANCE-IBGZPJMESA-N 0 0 426.498 4.267 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000002978870 555871045 /nfs/dbraw/zinc/87/10/45/555871045.db2.gz OZYYHOWYKUVILJ-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1OC ZINC000002981986 555872547 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556012758 /nfs/dbraw/zinc/01/27/58/556012758.db2.gz KZLPDGIACQMNFC-UHFFFAOYSA-N 0 0 425.554 4.291 50 0 IIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1 ZINC000004891663 556017950 /nfs/dbraw/zinc/01/79/50/556017950.db2.gz UQUKXZXZOLIAKB-UHFFFAOYSA-N 0 0 433.596 4.479 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 ZINC000010572827 556090782 /nfs/dbraw/zinc/09/07/82/556090782.db2.gz FXGGSHRGYJWZBE-UHFFFAOYSA-N 0 0 443.369 4.290 50 0 IIAARN O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002700856 556122303 /nfs/dbraw/zinc/12/23/03/556122303.db2.gz UHOSWOHGDCEUTJ-UHFFFAOYSA-N 0 0 435.126 4.257 50 0 IIAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002704006 556123242 /nfs/dbraw/zinc/12/32/42/556123242.db2.gz MYNVTBNYHSGNRC-QFIPXVFZSA-N 0 0 431.419 4.392 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002711720 556125438 /nfs/dbraw/zinc/12/54/38/556125438.db2.gz WGAHASAOWPWMEA-UHFFFAOYSA-N 0 0 431.366 4.296 50 0 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O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000008442903 556177753 /nfs/dbraw/zinc/17/77/53/556177753.db2.gz VVCACAJMACBKAV-OWXSRONMSA-N 0 0 436.536 4.024 50 0 IIAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000008450217 556181229 /nfs/dbraw/zinc/18/12/29/556181229.db2.gz HHADJSJCILAPTQ-FRIJYXMCSA-N 0 0 431.960 4.423 50 0 IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000008498019 556186825 /nfs/dbraw/zinc/18/68/25/556186825.db2.gz CLWBWRGBGCAKRW-STOISNSZSA-N 0 0 429.903 4.272 50 0 IIAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000003067622 556187549 /nfs/dbraw/zinc/18/75/49/556187549.db2.gz VLFKXQZJSYWPCW-QGZVFWFLSA-N 0 0 434.773 4.436 50 0 IIAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000008591657 556189243 /nfs/dbraw/zinc/18/92/43/556189243.db2.gz XDYULQOZOSTRSH-OAQYLSRUSA-N 0 0 435.430 4.331 50 0 IIAARN COc1cc2c(cc1OC)[C@]1(C)N(CC2)C(C(=O)c2ccccc2)=NN1c1ccccc1 ZINC000008636982 556195022 /nfs/dbraw/zinc/19/50/22/556195022.db2.gz AXFQBVFBLJHGRV-AREMUKBSSA-N 0 0 427.504 4.451 50 0 IIAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)N[C@H]4CCCc5occc54)CC3)n2)cc1 ZINC000097438264 556203977 /nfs/dbraw/zinc/20/39/77/556203977.db2.gz AWMLJMQDLAAPSJ-XLIONFOSSA-N 0 0 435.528 4.104 50 0 IIAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000008740874 556206648 /nfs/dbraw/zinc/20/66/48/556206648.db2.gz ODKKXOWWAJVQIU-UHFFFAOYSA-N 0 0 438.871 4.214 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000008928147 556235009 /nfs/dbraw/zinc/23/50/09/556235009.db2.gz YIZWSHDBLCFBIG-MRXNPFEDSA-N 0 0 435.958 4.050 50 0 IIAARN O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000009041848 556241982 /nfs/dbraw/zinc/24/19/82/556241982.db2.gz SGGCTDDEVLJPJE-FQEVSTJZSA-N 0 0 427.342 4.036 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccccc3)[C@H]2C1 ZINC000009061307 556244183 /nfs/dbraw/zinc/24/41/83/556244183.db2.gz NXEMLCIQSGQHGY-IRXDYDNUSA-N 0 0 427.378 4.268 50 0 IIAARN COc1cc(CNc2cccc(-c3nc4ncccc4o3)c2)cc(Cl)c1OCC(N)=O ZINC000009186388 556250511 /nfs/dbraw/zinc/25/05/11/556250511.db2.gz ZZYWLIVRXSJPHW-UHFFFAOYSA-N 0 0 438.871 4.028 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197296 556255311 /nfs/dbraw/zinc/25/53/11/556255311.db2.gz NQMKSNIPKNTQCL-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009197520 556255643 /nfs/dbraw/zinc/25/56/43/556255643.db2.gz QGNMGFXXZASSRD-RTBURBONSA-N 0 0 443.960 4.290 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009197537 556255860 /nfs/dbraw/zinc/25/58/60/556255860.db2.gz QGNMGFXXZASSRD-OALUTQOASA-N 0 0 443.960 4.290 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 ZINC000009226913 556260655 /nfs/dbraw/zinc/26/06/55/556260655.db2.gz 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CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000097593445 556272096 /nfs/dbraw/zinc/27/20/96/556272096.db2.gz LMVPZPFLBVVRNG-KRWDZBQOSA-N 0 0 434.517 4.271 50 0 IIAARN COc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c(OC)c1OC ZINC000009289244 556273389 /nfs/dbraw/zinc/27/33/89/556273389.db2.gz GOFWZGZWESRDCL-FQEVSTJZSA-N 0 0 437.496 4.303 50 0 IIAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)cc2)N(c2nnc(C)s2)C1=O ZINC000009302695 556275873 /nfs/dbraw/zinc/27/58/73/556275873.db2.gz BZBHNWPDYVOFIE-KRWDZBQOSA-N 0 0 439.880 4.365 50 0 IIAARN CC(C)Sc1nc2c3c(sc2c2nnc(SCCN4CCOCC4)n21)CCCC3 ZINC000013691311 556280713 /nfs/dbraw/zinc/28/07/13/556280713.db2.gz BGOBCQOUIBDNAB-UHFFFAOYSA-N 0 0 449.671 4.143 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)cc1 ZINC000009392166 556287504 /nfs/dbraw/zinc/28/75/04/556287504.db2.gz VXDBJYAGZMJPLZ-MRXNPFEDSA-N 0 0 431.564 4.173 50 0 IIAARN COc1ccc(-c2cc(=O)[nH]c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000009463843 556293235 /nfs/dbraw/zinc/29/32/35/556293235.db2.gz VIWHKSMCDCAHOD-UHFFFAOYSA-N 0 0 436.320 4.483 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC000009459779 556293260 /nfs/dbraw/zinc/29/32/60/556293260.db2.gz KHETUBNIRIMHDZ-UHFFFAOYSA-N 0 0 443.594 4.405 50 0 IIAARN Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000009526532 556297054 /nfs/dbraw/zinc/29/70/54/556297054.db2.gz OOZRBOUIXHOHJR-UHFFFAOYSA-N 0 0 428.583 4.379 50 0 IIAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009539601 556297363 /nfs/dbraw/zinc/29/73/63/556297363.db2.gz KUGQFTDZBXMXHR-UHFFFAOYSA-N 0 0 444.940 4.178 50 0 IIAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000013748395 556298408 /nfs/dbraw/zinc/29/84/08/556298408.db2.gz GUOVBHLIYDBTDN-MRXNPFEDSA-N 0 0 442.364 4.222 50 0 IIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000009830282 556310408 /nfs/dbraw/zinc/31/04/08/556310408.db2.gz JDAIHGWDPKZMGG-HXUWFJFHSA-N 0 0 436.581 4.159 50 0 IIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1-c1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000009830383 556310704 /nfs/dbraw/zinc/31/07/04/556310704.db2.gz VWJAMBCWOKVMHF-OAQYLSRUSA-N 0 0 444.560 4.276 50 0 IIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000009830301 556310728 /nfs/dbraw/zinc/31/07/28/556310728.db2.gz BFDKGNMYTRUXOT-HXUWFJFHSA-N 0 0 448.523 4.488 50 0 IIAARN CC(C)Sc1nc2sc3c(c2c2nnc(SCCN4CCOCC4)n21)CCCC3 ZINC000013811283 556312550 /nfs/dbraw/zinc/31/25/50/556312550.db2.gz IQSCQKJMWKBNQU-UHFFFAOYSA-N 0 0 449.671 4.143 50 0 IIAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc4c(c3)NC(=O)CCS4)o2)cc1 ZINC000032745370 556315374 /nfs/dbraw/zinc/31/53/74/556315374.db2.gz DKQZCNRMRNUJQQ-GFCCVEGCSA-N 0 0 425.466 4.098 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)C1=O ZINC000032748091 556316807 /nfs/dbraw/zinc/31/68/07/556316807.db2.gz OFGQPVLEFSQXAA-RUZDIDTESA-N 0 0 433.508 4.296 50 0 IIAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)c(OC)c1 ZINC000013839171 556317520 /nfs/dbraw/zinc/31/75/20/556317520.db2.gz DCGVILWBKKYCSL-RUZDIDTESA-N 0 0 441.487 4.369 50 0 IIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1 ZINC000009934027 556317620 /nfs/dbraw/zinc/31/76/20/556317620.db2.gz JDZHDBDCMSTKDK-OAQYLSRUSA-N 0 0 439.512 4.058 50 0 IIAARN COc1ccc(-c2noc(CN[C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2)cc1OC ZINC000032759540 556319849 /nfs/dbraw/zinc/31/98/49/556319849.db2.gz ZKMNEWVBAKCZOF-JOCHJYFZSA-N 0 0 425.485 4.012 50 0 IIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000032753637 556322912 /nfs/dbraw/zinc/32/29/12/556322912.db2.gz ZDFLDSNWRILRES-GOTSBHOMSA-N 0 0 432.520 4.178 50 0 IIAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000032754198 556323457 /nfs/dbraw/zinc/32/34/57/556323457.db2.gz KGZXYBDNYOISLV-OLZOCXBDSA-N 0 0 430.353 4.384 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000010058887 556323637 /nfs/dbraw/zinc/32/36/37/556323637.db2.gz UXHRCPGZFYLCTF-JTSKRJEESA-N 0 0 428.326 4.229 50 0 IIAARN Cc1ccc(-c2nc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)no2)cc1 ZINC000032755340 556324710 /nfs/dbraw/zinc/32/47/10/556324710.db2.gz RNHDXDIBTFBTJX-UHFFFAOYSA-N 0 0 437.853 4.434 50 0 IIAARN O=c1oc2ccccc2n1CCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000032777043 556327589 /nfs/dbraw/zinc/32/75/89/556327589.db2.gz MKRMTXQHEXKGAJ-UHFFFAOYSA-N 0 0 433.464 4.225 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)c(Br)c1 ZINC000032770676 556334759 /nfs/dbraw/zinc/33/47/59/556334759.db2.gz SARXDRSABWLVGJ-CYBMUJFWSA-N 0 0 426.332 4.008 50 0 IIAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000032771512 556335276 /nfs/dbraw/zinc/33/52/76/556335276.db2.gz FPDILTPLCQTOHT-INIZCTEOSA-N 0 0 429.480 4.116 50 0 IIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1=O ZINC000010462016 556335503 /nfs/dbraw/zinc/33/55/03/556335503.db2.gz YIIQHEBTDSOXTC-KRWDZBQOSA-N 0 0 427.932 4.488 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000032772779 556335514 /nfs/dbraw/zinc/33/55/14/556335514.db2.gz WMUCVGYXPYGPNR-HXUWFJFHSA-N 0 0 426.929 4.106 50 0 IIAARN CCOC(=O)CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000013943012 556340438 /nfs/dbraw/zinc/34/04/38/556340438.db2.gz SJMJOSGSLFDXDX-QGZVFWFLSA-N 0 0 428.554 4.136 50 0 IIAARN COc1ccc(-c2nnc3sc(-c4ccccc4I)nn32)cc1 ZINC000013956883 556345239 /nfs/dbraw/zinc/34/52/39/556345239.db2.gz IVDSGMGKZVJHIH-UHFFFAOYSA-N 0 0 434.262 4.133 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000032781030 556346369 /nfs/dbraw/zinc/34/63/69/556346369.db2.gz FZXLKRAXJXEBBE-OAQYLSRUSA-N 0 0 432.480 4.088 50 0 IIAARN Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)nn1C ZINC000011713344 556348103 /nfs/dbraw/zinc/34/81/03/556348103.db2.gz AFNGIEPWALNCGN-HXUWFJFHSA-N 0 0 441.535 4.368 50 0 IIAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCN2CCCC2=O)cc1 ZINC000011768065 556349788 /nfs/dbraw/zinc/34/97/88/556349788.db2.gz FCYJXMYSUSVNAO-HHHXNRCGSA-N 0 0 445.563 4.443 50 0 IIAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000011782703 556351408 /nfs/dbraw/zinc/35/14/08/556351408.db2.gz HBXZGJZVRBYFIN-NTKDMRAZSA-N 0 0 444.572 4.176 50 0 IIAARN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000014009058 556354134 /nfs/dbraw/zinc/35/41/34/556354134.db2.gz GIKDUOJRUFZKBU-YVLHZVERSA-N 0 0 446.912 4.428 50 0 IIAARN CN(Cc1ccco1)C(=O)c1cc2nc(-c3ccncc3)n(C)c2c(NC(=O)C2CCC2)c1 ZINC000011790160 556355323 /nfs/dbraw/zinc/35/53/23/556355323.db2.gz JGMIUEYJWHYSFS-UHFFFAOYSA-N 0 0 443.507 4.239 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789729 556355327 /nfs/dbraw/zinc/35/53/27/556355327.db2.gz WXNBGKXQVUAESI-KRWDZBQOSA-N 0 0 439.462 4.422 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccc(C)cc3)C2)c(OC)c1OC ZINC000011813530 556356859 /nfs/dbraw/zinc/35/68/59/556356859.db2.gz CIYGPUBXYKAUOL-LJQANCHMSA-N 0 0 447.535 4.498 50 0 IIAARN Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)cc2s1 ZINC000032795865 556358111 /nfs/dbraw/zinc/35/81/11/556358111.db2.gz BAEJMMMKHGFLSG-LBPRGKRZSA-N 0 0 430.327 4.359 50 0 IIAARN CC(C)[C@H](NC(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 ZINC000014066574 556359172 /nfs/dbraw/zinc/35/91/72/556359172.db2.gz JCNHBOUGKUMTMU-IBGZPJMESA-N 0 0 444.582 4.300 50 0 IIAARN COCCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000014076288 556361765 /nfs/dbraw/zinc/36/17/65/556361765.db2.gz UXKGVKGRHGVQIL-UHFFFAOYSA-N 0 0 449.964 4.261 50 0 IIAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(C(N)=O)c(C)c1C ZINC000014083592 556363328 /nfs/dbraw/zinc/36/33/28/556363328.db2.gz JAVSAAOJBYTGSM-UHFFFAOYSA-N 0 0 441.553 4.268 50 0 IIAARN COc1ccc(-c2noc(CN(C)Cc3cc4cc(F)ccc4[nH]3)n2)c(OC)c1OC ZINC000011840903 556365054 /nfs/dbraw/zinc/36/50/54/556365054.db2.gz HWXNZWOKPQNRNN-UHFFFAOYSA-N 0 0 426.448 4.015 50 0 IIAARN COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 ZINC000014095130 556366915 /nfs/dbraw/zinc/36/69/15/556366915.db2.gz YQSYQUIOTJYUDH-UHFFFAOYSA-N 0 0 426.538 4.435 50 0 IIAARN O=C(NC1CC1)[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 ZINC000014095687 556367496 /nfs/dbraw/zinc/36/74/96/556367496.db2.gz QJJISBAIQIZKLM-NRFANRHFSA-N 0 0 433.581 4.370 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cc2nc(CSc3nnnn3C3CCCC3)cs2)c1 ZINC000032805951 556368170 /nfs/dbraw/zinc/36/81/70/556368170.db2.gz DVOBAPGXPJSJTB-UHFFFAOYSA-N 0 0 428.587 4.335 50 0 IIAARN Cc1ccc(OCCN(C)C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1 ZINC000011869018 556368658 /nfs/dbraw/zinc/36/86/58/556368658.db2.gz BNPSXZCLMMLUEV-XMMPIXPASA-N 0 0 428.960 4.157 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000011878518 556370933 /nfs/dbraw/zinc/37/09/33/556370933.db2.gz SAJVGWWWBTZDDV-DEOSSOPVSA-N 0 0 429.463 4.196 50 0 IIAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccco1 ZINC000014121252 556372204 /nfs/dbraw/zinc/37/22/04/556372204.db2.gz WNQUMPLHDNIOJJ-HNNXBMFYSA-N 0 0 444.940 4.171 50 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Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CCS1 ZINC000219290407 556408533 /nfs/dbraw/zinc/40/85/33/556408533.db2.gz LEJCREWLCFDHKZ-KRWDZBQOSA-N 0 0 425.522 4.312 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1OC ZINC000032623085 556410434 /nfs/dbraw/zinc/41/04/34/556410434.db2.gz HMHAIJCEGKAEQO-SFHVURJKSA-N 0 0 441.553 4.377 50 0 IIAARN COc1ccccc1Nc1nc(N)nc(CN2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000032825227 556410665 /nfs/dbraw/zinc/41/06/65/556410665.db2.gz PZTDDGKUQWLXJC-UHFFFAOYSA-N 0 0 429.528 4.067 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1C ZINC000032623502 556410679 /nfs/dbraw/zinc/41/06/79/556410679.db2.gz XUXNSICCVJQJTC-QFIPXVFZSA-N 0 0 439.943 4.415 50 0 IIAARN COc1cc(OC)c(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OC ZINC000004384546 556413362 /nfs/dbraw/zinc/41/33/62/556413362.db2.gz JXFNSIBURRDWRS-UHFFFAOYSA-N 0 0 425.485 4.122 50 0 IIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000032674275 556415363 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COc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000013030928 556442514 /nfs/dbraw/zinc/44/25/14/556442514.db2.gz OXKIROHXWJQSHJ-HXUWFJFHSA-N 0 0 431.492 4.303 50 0 IIAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000013040798 556446520 /nfs/dbraw/zinc/44/65/20/556446520.db2.gz RZYQQQXWYOKAAE-RUZDIDTESA-N 0 0 431.492 4.077 50 0 IIAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCc1nnc2ccccn21 ZINC000013040875 556446937 /nfs/dbraw/zinc/44/69/37/556446937.db2.gz UUELHEKOFKZPDE-QGZVFWFLSA-N 0 0 425.842 4.154 50 0 IIAARN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(Br)ccc3o2)o1 ZINC000028251392 556447019 /nfs/dbraw/zinc/44/70/19/556447019.db2.gz IXGXUFWRPJJFNP-OAHLLOKOSA-N 0 0 446.297 4.278 50 0 IIAARN CCOc1ccc(-c2nsc(NC(=O)COc3ccc(Br)cc3)n2)cc1 ZINC000028287390 556447896 /nfs/dbraw/zinc/44/78/96/556447896.db2.gz BISWTFXHTJZAMH-UHFFFAOYSA-N 0 0 434.315 4.384 50 0 IIAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C ZINC000013056926 556448910 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IIAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013108133 556461670 /nfs/dbraw/zinc/46/16/70/556461670.db2.gz PZKVWMMROSNTGD-JOCHJYFZSA-N 0 0 435.911 4.445 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013108130 556461751 /nfs/dbraw/zinc/46/17/51/556461751.db2.gz PZKVWMMROSNTGD-QFIPXVFZSA-N 0 0 435.911 4.445 50 0 IIAARN O=C(CCc1cccnc1)N1CCC(NC(=O)[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000028818626 556461805 /nfs/dbraw/zinc/46/18/05/556461805.db2.gz RMFOYNMWESQGBZ-AREMUKBSSA-N 0 0 433.596 4.486 50 0 in-vitro IIAARN COc1cccc(CCC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000014956204 556462337 /nfs/dbraw/zinc/46/23/37/556462337.db2.gz SOCKJEYEQSRRGN-HXUWFJFHSA-N 0 0 426.532 4.102 50 0 IIAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000028924479 556464047 /nfs/dbraw/zinc/46/40/47/556464047.db2.gz MRCQNYAUYKVETR-NRFANRHFSA-N 0 0 425.941 4.405 50 0 IIAARN O=C(Nc1nc(-c2cccs2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000028954477 556464960 /nfs/dbraw/zinc/46/49/60/556464960.db2.gz VZRIMGSCECWLGU-UHFFFAOYSA-N 0 0 439.609 4.360 50 0 IIAARN O=C(NCCCCOc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000029148864 556468504 /nfs/dbraw/zinc/46/85/04/556468504.db2.gz FQYIYQLUXGJCKV-UHFFFAOYSA-N 0 0 442.512 4.216 50 0 IIAARN Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255722 556470883 /nfs/dbraw/zinc/47/08/83/556470883.db2.gz FKHWFZWQZLHIDY-UHFFFAOYSA-N 0 0 428.989 4.377 50 0 IIAARN Cc1cc(Br)ccc1SCC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000029263581 556471296 /nfs/dbraw/zinc/47/12/96/556471296.db2.gz CSVMFWPMEPRDPA-UHFFFAOYSA-N 0 0 433.371 4.140 50 0 IIAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(Br)c(Br)s1 ZINC000029328126 556472638 /nfs/dbraw/zinc/47/26/38/556472638.db2.gz DVQRLCLBXLAFDM-UHFFFAOYSA-N 0 0 429.137 4.422 50 0 IIAARN CCOc1ccc(OC[C@H](O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000029340143 556472888 /nfs/dbraw/zinc/47/28/88/556472888.db2.gz LFFRTCHGBNBTIS-HXUWFJFHSA-N 0 0 430.504 4.211 50 0 IIAARN Cn1c(CCNC(=O)[C@@H](c2ccccc2)C2CCCC2)nnc1SCc1ccccn1 ZINC000014987096 556473099 /nfs/dbraw/zinc/47/30/99/556473099.db2.gz ZRABRPHGHIKYOV-QFIPXVFZSA-N 0 0 435.597 4.135 50 0 IIAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2Cc4ccccc4O2)C3)s1 ZINC000014989897 556474330 /nfs/dbraw/zinc/47/43/30/556474330.db2.gz IBENAUYBJHBGBU-YLJYHZDGSA-N 0 0 437.492 4.180 50 0 IIAARN COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000013127115 556475682 /nfs/dbraw/zinc/47/56/82/556475682.db2.gz SXWVMIJFJNVLDU-VQTJNVASSA-N 0 0 445.479 4.287 50 0 IIAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000014992487 556475898 /nfs/dbraw/zinc/47/58/98/556475898.db2.gz PKTJXEJZEDXEMH-HYBUGGRVSA-N 0 0 436.581 4.350 50 0 IIAARN Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000029473424 556476134 /nfs/dbraw/zinc/47/61/34/556476134.db2.gz QAEWPFFLCJCVJF-SFHVURJKSA-N 0 0 444.578 4.284 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)c1C 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IIAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cnc12 ZINC000029797890 556483198 /nfs/dbraw/zinc/48/31/98/556483198.db2.gz ZNNIUJLUPABYMT-OAQYLSRUSA-N 0 0 447.535 4.010 50 0 IIAARN CC(C)N(c1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000072289875 556486607 /nfs/dbraw/zinc/48/66/07/556486607.db2.gz RFKRHHZYJPEACX-UHFFFAOYSA-N 0 0 444.578 4.437 50 0 IIAARN CCOc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013142864 556487139 /nfs/dbraw/zinc/48/71/39/556487139.db2.gz ZLVKSXKDZAOYEG-LJQANCHMSA-N 0 0 441.549 4.278 50 0 IIAARN O=C(CC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000013146039 556488045 /nfs/dbraw/zinc/48/80/45/556488045.db2.gz ADEQDMAYGSRNMD-UHFFFAOYSA-N 0 0 428.897 4.352 50 0 IIAARN Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)cc(=O)oc2c1 ZINC000013145680 556488071 /nfs/dbraw/zinc/48/80/71/556488071.db2.gz GKNDRNCPBXSGMR-OAQYLSRUSA-N 0 0 431.275 4.375 50 0 IIAARN O=C(OCc1c(Cl)cccc1Cl)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000013147978 556489412 /nfs/dbraw/zinc/48/94/12/556489412.db2.gz HRPMGNPXCJHFCF-QFIPXVFZSA-N 0 0 445.302 4.178 50 0 IIAARN CNc1snc(C)c1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181133 556491355 /nfs/dbraw/zinc/49/13/55/556491355.db2.gz GOYJFPVPQAHFRZ-UHFFFAOYSA-N 0 0 430.574 4.319 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)c12 ZINC000030217945 556491550 /nfs/dbraw/zinc/49/15/50/556491550.db2.gz GEVPTQDYJATHSY-UHFFFAOYSA-N 0 0 429.505 4.435 50 0 IIAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000015064467 556491677 /nfs/dbraw/zinc/49/16/77/556491677.db2.gz ZRFBNWIVXLKMLO-OAQYLSRUSA-N 0 0 444.535 4.282 50 0 IIAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000030391834 556493710 /nfs/dbraw/zinc/49/37/10/556493710.db2.gz VDQVGMJPIBKRNL-UHFFFAOYSA-N 0 0 443.434 4.500 50 0 IIAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4cccs4)o3)c2c1C ZINC000013163676 556494410 /nfs/dbraw/zinc/49/44/10/556494410.db2.gz RJINCIXWWBUZII-UHFFFAOYSA-N 0 0 445.595 4.403 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc12 ZINC000013163779 556494459 /nfs/dbraw/zinc/49/44/59/556494459.db2.gz OTJNXQNZRVNFJB-KRWDZBQOSA-N 0 0 437.496 4.447 50 0 IIAARN COc1ccc([C@@H](CNC(=O)CN2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000013164518 556496786 /nfs/dbraw/zinc/49/67/86/556496786.db2.gz VKUPANZUVYCZRP-RUZDIDTESA-N 0 0 439.559 4.483 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1Cc1ccco1 ZINC000013164685 556496958 /nfs/dbraw/zinc/49/69/58/556496958.db2.gz MEKXAPXPIVMVAC-RUZDIDTESA-N 0 0 445.475 4.142 50 0 IIAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccco4)n3C)cs2)cc1 ZINC000013164789 556497240 /nfs/dbraw/zinc/49/72/40/556497240.db2.gz PWQNIABNPFHQLY-UHFFFAOYSA-N 0 0 425.539 4.314 50 0 IIAARN CCN1CCc2nc(NC(=O)Cc3c(C)[nH]c4ccc(Br)cc43)sc2C1 ZINC000030560465 556497691 /nfs/dbraw/zinc/49/76/91/556497691.db2.gz HUWRQCBTUOQTIN-UHFFFAOYSA-N 0 0 433.375 4.255 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc4nc(C)nc(C)c4c3C)n2)o1 ZINC000030578209 556498396 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50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3Cn3ccnc3)c12 ZINC000032888522 556511491 /nfs/dbraw/zinc/51/14/91/556511491.db2.gz HHEGBVIWMXKDBG-UHFFFAOYSA-N 0 0 436.519 4.119 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(C)c1 ZINC000030937592 556515485 /nfs/dbraw/zinc/51/54/85/556515485.db2.gz DMENJXBEEUPIGW-QFIPXVFZSA-N 0 0 425.492 4.165 50 0 IIAARN Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1Br ZINC000015303458 556517207 /nfs/dbraw/zinc/51/72/07/556517207.db2.gz PMTIJZXTUUUECS-UHFFFAOYSA-N 0 0 436.107 4.353 50 0 IIAARN CC(C)COC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013563364 556518206 /nfs/dbraw/zinc/51/82/06/556518206.db2.gz MPPJUUNAEDUANC-LNEBKTTKSA-N 0 0 446.584 4.248 50 0 IIAARN Cc1cc2occ(CC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)c2cc1C ZINC000072301297 556524862 /nfs/dbraw/zinc/52/48/62/556524862.db2.gz GHHAAGWVMTYKBQ-UHFFFAOYSA-N 0 0 434.580 4.479 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@H]1c1nc3ccccc3s1)CC2 ZINC000015452297 556528819 /nfs/dbraw/zinc/52/88/19/556528819.db2.gz IYHDCTYVKFKFNW-IBGZPJMESA-N 0 0 437.565 4.035 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)N(C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)cc12 ZINC000032900371 556529112 /nfs/dbraw/zinc/52/91/12/556529112.db2.gz PYCYNUKQYARWID-QGZVFWFLSA-N 0 0 427.508 4.362 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000032900635 556529494 /nfs/dbraw/zinc/52/94/94/556529494.db2.gz CTSKEWUCNGDPQF-INIZCTEOSA-N 0 0 432.455 4.461 50 0 IIAARN O=C(/C=C/c1ccc(Br)o1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000013591662 556529854 /nfs/dbraw/zinc/52/98/54/556529854.db2.gz NVRIEFOUVDYWTH-DUXPYHPUSA-N 0 0 449.614 4.087 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)SCc1nc(N)nc(Nc2ccccc2)n1 ZINC000015495207 556531014 /nfs/dbraw/zinc/53/10/14/556531014.db2.gz BWUNHKJKGGHFRI-ZDUSSCGKSA-N 0 0 428.949 4.420 50 0 IIAARN COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1 ZINC000032721520 556532699 /nfs/dbraw/zinc/53/26/99/556532699.db2.gz BUHOZLATSSFQKD-UHFFFAOYSA-N 0 0 436.483 4.255 50 0 IIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)c1 ZINC000015608437 556537697 /nfs/dbraw/zinc/53/76/97/556537697.db2.gz GXOQTWQMKYLIEV-UHFFFAOYSA-N 0 0 437.521 4.202 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c(C)c1 ZINC000015613606 556538007 /nfs/dbraw/zinc/53/80/07/556538007.db2.gz YNAFZRVCQWBEGH-UHFFFAOYSA-N 0 0 445.544 4.096 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 ZINC000013629639 556538833 /nfs/dbraw/zinc/53/88/33/556538833.db2.gz RJWPRHKSMPWVGK-GUYCJALGSA-N 0 0 436.390 4.406 50 0 IIAARN Cc1noc(C)c1CCC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000032902638 556540579 /nfs/dbraw/zinc/54/05/79/556540579.db2.gz IKPMHTFCPIVJNI-UHFFFAOYSA-N 0 0 442.943 4.478 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000013655757 556546301 /nfs/dbraw/zinc/54/63/01/556546301.db2.gz CVQCZNMLSGUKNT-UGSOOPFHSA-N 0 0 434.323 4.071 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3sc(C)nc3C)o2)c1C ZINC000032905933 556557004 /nfs/dbraw/zinc/55/70/04/556557004.db2.gz QQTCDYVYWPPYBQ-NSHDSACASA-N 0 0 434.543 4.295 50 0 IIAARN CC(C)CCNC(=O)[C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1 ZINC000033266390 556557695 /nfs/dbraw/zinc/55/76/95/556557695.db2.gz OKBLTDOZBIHICK-SFHVURJKSA-N 0 0 425.964 4.428 50 0 IIAARN COc1cc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)ccc1OC(F)F ZINC000013683029 556557933 /nfs/dbraw/zinc/55/79/33/556557933.db2.gz ORXXOWHNSMKZMS-UHFFFAOYSA-N 0 0 443.372 4.184 50 0 IIAARN Cc1cccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4C)c4cc(C)ccc4n3n2)c1 ZINC000033274271 556558199 /nfs/dbraw/zinc/55/81/99/556558199.db2.gz ZAOPYMJKJGWNAR-UHFFFAOYSA-N 0 0 437.503 4.270 50 0 IIAARN Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)NC3CCCCC3)nn12 ZINC000033274351 556558272 /nfs/dbraw/zinc/55/82/72/556558272.db2.gz BWIRMCLECPIUMX-UHFFFAOYSA-N 0 0 449.942 4.117 50 0 IIAARN Brc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 ZINC000015866483 556559107 /nfs/dbraw/zinc/55/91/07/556559107.db2.gz MVSLUSJVJSRLCI-CABCVRRESA-N 0 0 435.123 4.344 50 0 IIAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000072308061 556563629 /nfs/dbraw/zinc/56/36/29/556563629.db2.gz PANSDTRIEDAPSB-DEOSSOPVSA-N 0 0 438.568 4.431 50 0 IIAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@H]4COc5ccccc5O4)cc3)o2)c1 ZINC000032908279 556564491 /nfs/dbraw/zinc/56/44/91/556564491.db2.gz XPKGGCRDAWYZIR-FQEVSTJZSA-N 0 0 427.460 4.282 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000015999737 556572463 /nfs/dbraw/zinc/57/24/63/556572463.db2.gz DXDHLDOFXOOQPF-UHFFFAOYSA-N 0 0 425.384 4.246 50 0 IIAARN COc1ccc(Br)cc1[C@H]1SCCN1S(=O)(=O)c1cccc(C)c1 ZINC000001194798 556574439 /nfs/dbraw/zinc/57/44/39/556574439.db2.gz ONSKPYHSULWDER-QGZVFWFLSA-N 0 0 428.373 4.202 50 0 IIAARN Cc1cc(NC(=O)c2c(F)cccc2F)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000032909962 556578071 /nfs/dbraw/zinc/57/80/71/556578071.db2.gz IAOICTPLQAJOMO-UHFFFAOYSA-N 0 0 444.459 4.181 50 0 IIAARN OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034661855 556580270 /nfs/dbraw/zinc/58/02/70/556580270.db2.gz NVNUQXMSFVIKJG-UHFFFAOYSA-N 0 0 436.548 4.037 50 0 IIAARN CCc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl ZINC000032910907 556581985 /nfs/dbraw/zinc/58/19/85/556581985.db2.gz FHMDYDRNZYXFJI-KRWDZBQOSA-N 0 0 439.895 4.101 50 0 IIAARN COc1cc(Br)c(CCNC(=O)CCc2c[nH]c3ccccc23)cc1OC ZINC000016172537 556586984 /nfs/dbraw/zinc/58/69/84/556586984.db2.gz OACWMQMMIVUCDC-UHFFFAOYSA-N 0 0 431.330 4.239 50 0 IIAARN O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCSCC1 ZINC000016193527 556589259 /nfs/dbraw/zinc/58/92/59/556589259.db2.gz BKYFQYDVGXLSMG-UHFFFAOYSA-N 0 0 428.521 4.335 50 0 IIAARN COc1ccc(-c2cc(NC(=O)Cn3cnc4c(C)cccc4c3=O)ccc2OC)cc1 ZINC000016234191 556593741 /nfs/dbraw/zinc/59/37/41/556593741.db2.gz RWRHZPVSTDHRBJ-UHFFFAOYSA-N 0 0 429.476 4.028 50 0 IIAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000032913690 556594598 /nfs/dbraw/zinc/59/45/98/556594598.db2.gz QFOXNYYKMNLHEP-UHFFFAOYSA-N 0 0 435.325 4.374 50 0 IIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccccn2)c1 ZINC000032974966 556596751 /nfs/dbraw/zinc/59/67/51/556596751.db2.gz HRGILOCWNHJMPM-UHFFFAOYSA-N 0 0 442.519 4.201 50 0 IIAARN COC(=O)C1=CN(c2ccc(F)c(Cl)c2)C=C(C(=O)OC)C1c1ccc(OC)cc1 ZINC000016293842 556598925 /nfs/dbraw/zinc/59/89/25/556598925.db2.gz BXDLEXBDHUNSHZ-UHFFFAOYSA-N 0 0 431.847 4.205 50 0 IIAARN C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000032975246 556599905 /nfs/dbraw/zinc/59/99/05/556599905.db2.gz NWBHZECSMNZMQU-IBGZPJMESA-N 0 0 426.582 4.162 50 0 IIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000032975678 556600280 /nfs/dbraw/zinc/60/02/80/556600280.db2.gz JLARNNGSFSIAQE-IAGOWNOFSA-N 0 0 446.956 4.124 50 0 IIAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000016331852 556600759 /nfs/dbraw/zinc/60/07/59/556600759.db2.gz NFAOTJYZUIITFM-CYBMUJFWSA-N 0 0 430.555 4.065 50 0 IIAARN COc1c(Br)cc(C)cc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000016391971 556604483 /nfs/dbraw/zinc/60/44/83/556604483.db2.gz SYXYCZABZQBPLP-UHFFFAOYSA-N 0 0 437.403 4.339 50 0 IIAARN Cc1ccccc1Cn1ccc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)n1 ZINC000016400876 556605832 /nfs/dbraw/zinc/60/58/32/556605832.db2.gz FEJJGCSVTNOFIC-LJQANCHMSA-N 0 0 439.313 4.134 50 0 IIAARN CCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)CC1 ZINC000032986765 556606483 /nfs/dbraw/zinc/60/64/83/556606483.db2.gz NBWFUMLRYLAHPX-UHFFFAOYSA-N 0 0 433.508 4.133 50 0 IIAARN COc1ccc(-c2nc(CSc3nnnn3Cc3ccccc3)cs2)cc1OC ZINC000016448000 556608188 /nfs/dbraw/zinc/60/81/88/556608188.db2.gz IBHJHKUOLIAXTB-UHFFFAOYSA-N 0 0 425.539 4.154 50 0 IIAARN CCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2Cl)CC1 ZINC000016474646 556609891 /nfs/dbraw/zinc/60/98/91/556609891.db2.gz XRALQFRFQNGCPD-UHFFFAOYSA-N 0 0 429.948 4.033 50 0 IIAARN COc1ccc([C@@H](NC(=O)CSc2ccc(Br)cc2)c2nccn2C)cc1 ZINC000016473844 556609958 /nfs/dbraw/zinc/60/99/58/556609958.db2.gz APFDRDDWRWNHBM-LJQANCHMSA-N 0 0 446.370 4.189 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCc2ccc(Br)cc2)CC1=O ZINC000016474684 556610257 /nfs/dbraw/zinc/61/02/57/556610257.db2.gz XVYMFFIGDGLYDR-CYBMUJFWSA-N 0 0 438.705 4.207 50 0 IIAARN Cc1ccc(CCNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032995201 556610431 /nfs/dbraw/zinc/61/04/31/556610431.db2.gz OZAWJFIPNCKKFR-UHFFFAOYSA-N 0 0 442.972 4.434 50 0 IIAARN CSc1cccc(NC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)c1 ZINC000032995986 556611684 /nfs/dbraw/zinc/61/16/84/556611684.db2.gz RHHKUZYBJCDTHB-UHFFFAOYSA-N 0 0 437.550 4.170 50 0 IIAARN COc1cccc(CNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc43)n2)c1 ZINC000013496858 556613095 /nfs/dbraw/zinc/61/30/95/556613095.db2.gz BVSPQQFISIMLDG-UHFFFAOYSA-N 0 0 437.550 4.360 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)csc2c1=O ZINC000038651752 556615229 /nfs/dbraw/zinc/61/52/29/556615229.db2.gz SWOZODBNMWGPAK-UHFFFAOYSA-N 0 0 447.516 4.249 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 ZINC000038651755 556615324 /nfs/dbraw/zinc/61/53/24/556615324.db2.gz ZUCKDPWOBNBTLF-UHFFFAOYSA-N 0 0 447.516 4.249 50 0 IIAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016625753 556618727 /nfs/dbraw/zinc/61/87/27/556618727.db2.gz AIHQPNBXSDJHFO-LLVKDONJSA-N 0 0 438.837 4.227 50 0 IIAARN CCn1cc(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)n1 ZINC000039327592 556627714 /nfs/dbraw/zinc/62/77/14/556627714.db2.gz KHHXLKCACGETEL-UHFFFAOYSA-N 0 0 439.463 4.031 50 0 IIAARN CC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000016695281 556628613 /nfs/dbraw/zinc/62/86/13/556628613.db2.gz NZYOVSADOJZAAT-AREMUKBSSA-N 0 0 446.595 4.416 50 0 IIAARN COc1cccc(-c2cn3c(C(=O)N4CCCC[C@H]4CCn4ccnc4)csc3n2)c1 ZINC000039537854 556629612 /nfs/dbraw/zinc/62/96/12/556629612.db2.gz LDCLAMYKJNGFCZ-SFHVURJKSA-N 0 0 435.553 4.353 50 0 IIAARN O=C(NC1CCCCCCC1)[C@@H]1c2cccn2CC(=O)N1CCc1ccc(Cl)cc1 ZINC000005063615 556629892 /nfs/dbraw/zinc/62/98/92/556629892.db2.gz ZYTGGURLFPALFN-QHCPKHFHSA-N 0 0 427.976 4.497 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4OC[C@@H]5CCCCN5C4=O)cc3)sc2c1 ZINC000033768673 556631317 /nfs/dbraw/zinc/63/13/17/556631317.db2.gz ISRSGVWJLUAGKK-AZUAARDMSA-N 0 0 435.549 4.380 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016742582 556636573 /nfs/dbraw/zinc/63/65/73/556636573.db2.gz UQVCDNUVAOXNRX-CVEARBPZSA-N 0 0 442.002 4.002 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000016742571 556636594 /nfs/dbraw/zinc/63/65/94/556636594.db2.gz CIRMXDIICDADJC-IOASZLSFSA-N 0 0 436.426 4.163 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016742581 556636643 /nfs/dbraw/zinc/63/66/43/556636643.db2.gz UQVCDNUVAOXNRX-JKSUJKDBSA-N 0 0 442.002 4.002 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000016750790 556637349 /nfs/dbraw/zinc/63/73/49/556637349.db2.gz PTOLVZMYRVLNPM-JOCHJYFZSA-N 0 0 431.419 4.392 50 0 IIAARN CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCc1cccnc1 ZINC000016752137 556637846 /nfs/dbraw/zinc/63/78/46/556637846.db2.gz IOYDGSAEHAINDW-UHFFFAOYSA-N 0 0 431.429 4.173 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn3cccnc13)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414103 556639535 /nfs/dbraw/zinc/63/95/35/556639535.db2.gz OAQMXWJSHVSKJO-FQEVSTJZSA-N 0 0 426.480 4.115 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000409414289 556639842 /nfs/dbraw/zinc/63/98/42/556639842.db2.gz KEVNEHMMUMZQQG-FCHUYYIVSA-N 0 0 444.535 4.300 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000409413892 556641152 /nfs/dbraw/zinc/64/11/52/556641152.db2.gz GBUSOKFZVOAPFK-FCHUYYIVSA-N 0 0 434.540 4.164 50 0 IIAARN NC(=O)COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000409415626 556641922 /nfs/dbraw/zinc/64/19/22/556641922.db2.gz UFIFTWSVZOTEIV-HXUWFJFHSA-N 0 0 443.478 4.167 50 0 IIAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000016789835 556642813 /nfs/dbraw/zinc/64/28/13/556642813.db2.gz CJBWBBKXHYCOHP-UHFFFAOYSA-N 0 0 427.839 4.374 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3c(ccc(C)c3C)c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016806419 556644180 /nfs/dbraw/zinc/64/41/80/556644180.db2.gz ICNZGXNBVLZBFQ-IBGZPJMESA-N 0 0 441.549 4.196 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 ZINC000016841472 556646142 /nfs/dbraw/zinc/64/61/42/556646142.db2.gz IAYPKCDTHBAYKE-UHFFFAOYSA-N 0 0 436.468 4.053 50 0 IIAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCO5)nccn3n2)cc1 ZINC000016841680 556646162 /nfs/dbraw/zinc/64/61/62/556646162.db2.gz OHVPXOHZBUELGP-UHFFFAOYSA-N 0 0 432.505 4.418 50 0 IIAARN CSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 ZINC000016842742 556646275 /nfs/dbraw/zinc/64/62/75/556646275.db2.gz FJIVFQJCABMOGI-UHFFFAOYSA-N 0 0 433.468 4.122 50 0 IIAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602167 556646686 /nfs/dbraw/zinc/64/66/86/556646686.db2.gz HUDFQOFRIABJQN-BJKOFHAPSA-N 0 0 436.527 4.146 50 0 IIAARN COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCCO4)cs2)cc1OC ZINC000011725255 556648537 /nfs/dbraw/zinc/64/85/37/556648537.db2.gz JBAAQYHAKBEXHP-UHFFFAOYSA-N 0 0 426.494 4.170 50 0 IIAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000011738324 556649010 /nfs/dbraw/zinc/64/90/10/556649010.db2.gz QCDAZEZMBJCNQH-UHFFFAOYSA-N 0 0 430.533 4.162 50 0 IIAARN Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903670 556649019 /nfs/dbraw/zinc/64/90/19/556649019.db2.gz UCWDPWGUYZPGIX-VQTJNVASSA-N 0 0 435.568 4.207 50 0 IIAARN CC(=O)c1sc(NC(=O)COc2ccc(N3CCCC3=O)cc2)nc1-c1ccccc1 ZINC000016961724 556651117 /nfs/dbraw/zinc/65/11/17/556651117.db2.gz HAAUBDIUJPIAMG-UHFFFAOYSA-N 0 0 435.505 4.157 50 0 IIAARN COc1ccc(CC(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1OC ZINC000011757692 556651739 /nfs/dbraw/zinc/65/17/39/556651739.db2.gz XUVKCVCRXSAQCC-UHFFFAOYSA-N 0 0 449.370 4.140 50 0 IIAARN COc1ccc(CNC(=O)c2c(C)sc3ccn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000097939253 556651996 /nfs/dbraw/zinc/65/19/96/556651996.db2.gz PVRSEPWRAMKGLG-UHFFFAOYSA-N 0 0 436.508 4.497 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000038653413 556653606 /nfs/dbraw/zinc/65/36/06/556653606.db2.gz GSYJNCYWDSQWRR-UHFFFAOYSA-N 0 0 438.553 4.142 50 0 IIAARN Cc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)c(C)c5)no4)ccc3c2=O)cc1 ZINC000038653762 556653961 /nfs/dbraw/zinc/65/39/61/556653961.db2.gz FUIURGLTJMMQRN-UHFFFAOYSA-N 0 0 438.487 4.380 50 0 IIAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2cc1C ZINC000033006022 556655288 /nfs/dbraw/zinc/65/52/88/556655288.db2.gz VXULOKOTNNRNTC-UHFFFAOYSA-N 0 0 429.495 4.439 50 0 IIAARN O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccccc1Cl ZINC000011794388 556656322 /nfs/dbraw/zinc/65/63/22/556656322.db2.gz HIWICQXGFRLJFJ-UHFFFAOYSA-N 0 0 430.917 4.164 50 0 IIAARN COc1cc(NS(=O)(=O)c2cccc(Cl)c2C)cc2sc(NC(C)=O)nc21 ZINC000033007964 556656890 /nfs/dbraw/zinc/65/68/90/556656890.db2.gz OWKZVRHRYZXSNW-UHFFFAOYSA-N 0 0 425.919 4.026 50 0 IIAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(I)c2)N3)C1 ZINC000017086074 556657071 /nfs/dbraw/zinc/65/70/71/556657071.db2.gz POGOJDTWZSTBKT-ANRSDYALSA-N 0 0 440.306 4.037 50 0 IIAARN CCn1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2CC)cn1 ZINC000017094326 556657631 /nfs/dbraw/zinc/65/76/31/556657631.db2.gz ZODPVNNFTWSYMK-UHFFFAOYSA-N 0 0 425.345 4.219 50 0 IIAARN O=C(C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1)N1CCCCCC1 ZINC000033010063 556657916 /nfs/dbraw/zinc/65/79/16/556657916.db2.gz DUMNDBJZBATLKZ-UHFFFAOYSA-N 0 0 438.963 4.064 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 ZINC000033012330 556661136 /nfs/dbraw/zinc/66/11/36/556661136.db2.gz CWANQTGVMNCOOO-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000017097069 556661196 /nfs/dbraw/zinc/66/11/96/556661196.db2.gz SCLIFIQMCSMPHW-UHFFFAOYSA-N 0 0 430.555 4.014 50 0 IIAARN Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000043204100 556661216 /nfs/dbraw/zinc/66/12/16/556661216.db2.gz FYXRSVDHGLUMHB-UHFFFAOYSA-N 0 0 445.424 4.295 50 0 investigational IIAARN Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c(C)cc1Cl ZINC000017097428 556661705 /nfs/dbraw/zinc/66/17/05/556661705.db2.gz OCKRJGBZGLVDOB-UHFFFAOYSA-N 0 0 431.360 4.256 50 0 IIAARN COc1ccc(-c2noc(COc3ccccc3C(=O)NCCc3ccccc3)n2)cc1 ZINC000033013010 556662363 /nfs/dbraw/zinc/66/23/63/556662363.db2.gz CEXKINOOOIRLJA-UHFFFAOYSA-N 0 0 429.476 4.297 50 0 biogenic IIAARN Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000033013720 556663458 /nfs/dbraw/zinc/66/34/58/556663458.db2.gz FEHAEIKHRNPUKJ-QGZVFWFLSA-N 0 0 430.508 4.395 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000033013724 556663522 /nfs/dbraw/zinc/66/35/22/556663522.db2.gz RLYWXUONQJLNJV-MRXNPFEDSA-N 0 0 446.507 4.095 50 0 IIAARN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011858601 556664044 /nfs/dbraw/zinc/66/40/44/556664044.db2.gz NOKQMSSQNSWQCI-ONEGZZNKSA-N 0 0 434.517 4.256 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCCC2)n1 ZINC000033014154 556664611 /nfs/dbraw/zinc/66/46/11/556664611.db2.gz UKXCQXDCWVKDIS-UHFFFAOYSA-N 0 0 441.491 4.488 50 0 IIAARN CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000017101387 556666102 /nfs/dbraw/zinc/66/61/02/556666102.db2.gz BHBIYBDSWCBWHG-WUIRLBBUSA-N 0 0 437.495 4.434 50 0 IIAARN CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000017101943 556666244 /nfs/dbraw/zinc/66/62/44/556666244.db2.gz HHKMQBNSLHNFES-UHFFFAOYSA-N 0 0 438.340 4.406 50 0 IIAARN Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCCC(C)C)cc1 ZINC000248119558 556666744 /nfs/dbraw/zinc/66/67/44/556666744.db2.gz WPCVBEZUENSBSF-FCHUYYIVSA-N 0 0 449.016 4.215 50 0 IIAARN NC(=O)c1cc(Cl)ccc1OCc1cccc(COc2ccc(Cl)cc2C(N)=O)c1 ZINC000011112969 556667319 /nfs/dbraw/zinc/66/73/19/556667319.db2.gz XVWQXDYCLFYGAA-UHFFFAOYSA-N 0 0 445.302 4.349 50 0 IIAARN Cc1cc2oc(=O)cc(COC(=O)C3CCN(C(=O)c4cccs4)CC3)c2cc1C ZINC000017134439 556669091 /nfs/dbraw/zinc/66/90/91/556669091.db2.gz ARDCYFPXNOPPGL-UHFFFAOYSA-N 0 0 425.506 4.067 50 0 IIAARN COc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000011911266 556672218 /nfs/dbraw/zinc/67/22/18/556672218.db2.gz WWTQTMNNHYNYAC-UHFFFAOYSA-N 0 0 448.903 4.133 50 0 IIAARN O=C(CNC(=S)N(Cc1ccccc1)Cc1ccccc1F)NCCc1ccccc1 ZINC000013520980 556675769 /nfs/dbraw/zinc/67/57/69/556675769.db2.gz ITQXCPNPSZOQHN-UHFFFAOYSA-N 0 0 435.568 4.061 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(N3CCNC3=O)c2)o1 ZINC000032931820 556676597 /nfs/dbraw/zinc/67/65/97/556676597.db2.gz JNEZKWYCIHVTQF-UHFFFAOYSA-N 0 0 427.464 4.223 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325836 556680373 /nfs/dbraw/zinc/68/03/73/556680373.db2.gz YOAABRZWBKSYGU-IBGZPJMESA-N 0 0 443.956 4.432 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000017987224 556680953 /nfs/dbraw/zinc/68/09/53/556680953.db2.gz QYDHLFSULMPJBS-OALUTQOASA-N 0 0 442.309 4.390 50 0 IIAARN CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000238882262 556681917 /nfs/dbraw/zinc/68/19/17/556681917.db2.gz CYAGVRAVQLXTFP-ZTEVPRNISA-N 0 0 441.568 4.365 50 0 biogenic IIAARN Cc1cnc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1 ZINC000010628015 556682846 /nfs/dbraw/zinc/68/28/46/556682846.db2.gz LIHGFTBSGXVUSA-UHFFFAOYSA-N 0 0 425.894 4.297 50 0 IIAARN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(C(=O)OC)=C1C ZINC000002099210 556686096 /nfs/dbraw/zinc/68/60/96/556686096.db2.gz LTOCBFOAYABTNW-PXLXIMEGSA-N 0 0 436.552 4.420 50 0 IIAARN CCOC(=O)c1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)o1 ZINC000072312353 556687353 /nfs/dbraw/zinc/68/73/53/556687353.db2.gz LSULACZFGPIPTI-NTEUORMPSA-N 0 0 435.864 4.114 50 0 IIAARN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)s1 ZINC000033022807 556687966 /nfs/dbraw/zinc/68/79/66/556687966.db2.gz PZRDVXHYPQSYRO-UHFFFAOYSA-N 0 0 438.553 4.460 50 0 IIAARN Cc1cc2sc(NC(=O)CN(C)C(=O)c3ccc(Br)s3)nc2c(C)c1 ZINC000071946868 556688367 /nfs/dbraw/zinc/68/83/67/556688367.db2.gz ZQQLUYWWJJUEGF-UHFFFAOYSA-N 0 0 438.372 4.448 50 0 IIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000071949189 556688814 /nfs/dbraw/zinc/68/88/14/556688814.db2.gz YKIXOSYBBVIKMV-FQEVSTJZSA-N 0 0 440.421 4.234 50 0 IIAARN COc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1 ZINC000046141258 556692513 /nfs/dbraw/zinc/69/25/13/556692513.db2.gz OADUDLHPPVYCGM-UHFFFAOYSA-N 0 0 441.534 4.261 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)NCc3cccnc3)n2-c2ccccc2)cc1C ZINC000033025623 556700792 /nfs/dbraw/zinc/70/07/92/556700792.db2.gz MGZHMZFSBLOOHO-UHFFFAOYSA-N 0 0 429.549 4.355 50 0 IIAARN Cc1ccc2nc(CSc3ccccc3NC(=O)COc3ccccc3F)cc(=O)n2c1 ZINC000033025919 556701994 /nfs/dbraw/zinc/70/19/94/556701994.db2.gz LFXAZKOYPKZOFY-UHFFFAOYSA-N 0 0 449.507 4.452 50 0 IIAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C ZINC000033025950 556702055 /nfs/dbraw/zinc/70/20/55/556702055.db2.gz RBKSPCWTBPYEIH-UHFFFAOYSA-N 0 0 434.540 4.073 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1OC ZINC000033026139 556702207 /nfs/dbraw/zinc/70/22/07/556702207.db2.gz VLHGBRLYWOYBIF-UHFFFAOYSA-N 0 0 447.516 4.256 50 0 IIAARN CN(C)C(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000013625063 556704422 /nfs/dbraw/zinc/70/44/22/556704422.db2.gz KAMYVGPZVJVWQT-UHFFFAOYSA-N 0 0 427.298 4.322 50 0 IIAARN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033027709 556707141 /nfs/dbraw/zinc/70/71/41/556707141.db2.gz MNOWOULRZKOXOT-UHFFFAOYSA-N 0 0 440.500 4.135 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H]2c2cccs2)Cc2ccco2)cc1 ZINC000033028503 556708927 /nfs/dbraw/zinc/70/89/27/556708927.db2.gz JBEZHQVXLRPFDS-FQEVSTJZSA-N 0 0 444.578 4.204 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1C ZINC000013696217 556712225 /nfs/dbraw/zinc/71/22/25/556712225.db2.gz ZCCIRSVANAGLMD-UHFFFAOYSA-N 0 0 428.535 4.069 50 0 IIAARN O=c1c(Cl)c(NCc2cccnc2OC2CCCC2)cnn1-c1ccc(F)cc1F ZINC000071953445 556713488 /nfs/dbraw/zinc/71/34/88/556713488.db2.gz LDKPCDHWEIJCMO-UHFFFAOYSA-N 0 0 432.858 4.493 50 0 IIAARN O=C1[C@H]2[C@@H](C(=O)N1c1c(Cl)cccc1Cl)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138559995 556718747 /nfs/dbraw/zinc/71/87/47/556718747.db2.gz KRJJAEBFQVYOKT-XYJFISCASA-N 0 0 436.726 4.182 50 0 IIAARN COc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1 ZINC000000990465 556719122 /nfs/dbraw/zinc/71/91/22/556719122.db2.gz UDFMLCREIMSEIU-UHFFFAOYSA-N 0 0 449.459 4.004 50 0 biogenic,in-vitro IIAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000033037139 556722072 /nfs/dbraw/zinc/72/20/72/556722072.db2.gz GOIRRZLIVKIJJG-UHFFFAOYSA-N 0 0 439.519 4.440 50 0 IIAARN COc1ccc2nc(NC(=O)C3CCC(Cn4cnc5ccccc5c4=O)CC3)sc2c1 ZINC000061718729 556725517 /nfs/dbraw/zinc/72/55/17/556725517.db2.gz ZZPPZDICVPRPAX-UHFFFAOYSA-N 0 0 448.548 4.460 50 0 IIAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1OCC ZINC000072330891 556728342 /nfs/dbraw/zinc/72/83/42/556728342.db2.gz GJPIHOFXDPLOAL-UHFFFAOYSA-N 0 0 425.403 4.227 50 0 IIAARN CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000060352893 556729487 /nfs/dbraw/zinc/72/94/87/556729487.db2.gz DRHALTHUMPKOJV-UHFFFAOYSA-N 0 0 439.693 4.013 50 0 IIAARN COc1ccc(NC(=O)[C@@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000013786450 556731770 /nfs/dbraw/zinc/73/17/70/556731770.db2.gz LYORNDAJZOORIK-PBZQTWSTSA-N 0 0 444.487 4.242 50 0 aggregator IIAARN COc1cc(CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)cc2c1OCO2 ZINC000055099419 556734612 /nfs/dbraw/zinc/73/46/12/556734612.db2.gz HUYJUFNDQWBSJM-UHFFFAOYSA-N 0 0 446.960 4.130 50 0 IIAARN CN(C)C(=O)[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000019297776 556734776 /nfs/dbraw/zinc/73/47/76/556734776.db2.gz IJRXANRVFAICLW-QHCPKHFHSA-N 0 0 449.624 4.234 50 0 IIAARN Cc1cccn2c(CN(C)Cc3ccncc3C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055109376 556735313 /nfs/dbraw/zinc/73/53/13/556735313.db2.gz RUCXKSHETCLBQE-UHFFFAOYSA-N 0 0 441.579 4.293 50 0 IIAARN COc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1Cl ZINC000019309908 556735382 /nfs/dbraw/zinc/73/53/82/556735382.db2.gz ZLEONIKUILWVBC-UHFFFAOYSA-N 0 0 437.805 4.474 50 0 IIAARN CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3[O-])cc2)CC1 ZINC000019313635 556735539 /nfs/dbraw/zinc/73/55/39/556735539.db2.gz KSHLWTJIMMMINL-UHFFFAOYSA-N 0 0 438.753 4.202 50 0 IIAARN Cc1ncc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)n1-c1ccccc1 ZINC000078899772 556736365 /nfs/dbraw/zinc/73/63/65/556736365.db2.gz YDTUAAHQEQPCOL-UHFFFAOYSA-N 0 0 436.313 4.440 50 0 IIAARN COc1ccccc1[C@H](C)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 ZINC000055225516 556738215 /nfs/dbraw/zinc/73/82/15/556738215.db2.gz ANXHFYLBPBPAFI-IBGZPJMESA-N 0 0 441.597 4.121 50 0 IIAARN CCOc1cccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000033048937 556746149 /nfs/dbraw/zinc/74/61/49/556746149.db2.gz OKZURDJFIISKPN-UHFFFAOYSA-N 0 0 447.922 4.432 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000058050554 556755410 /nfs/dbraw/zinc/75/54/10/556755410.db2.gz NJQPJNWMJNUVTG-UHFFFAOYSA-N 0 0 438.915 4.025 50 0 IIAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c21 ZINC000019431929 556755677 /nfs/dbraw/zinc/75/56/77/556755677.db2.gz XDCCPCDGKQPGCN-UHFFFAOYSA-N 0 0 439.512 4.360 50 0 IIAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(-c2ccccc2Br)[nH]n1 ZINC000058109472 556758718 /nfs/dbraw/zinc/75/87/18/556758718.db2.gz HZWGTKWNTQATJX-UHFFFAOYSA-N 0 0 441.285 4.166 50 0 IIAARN O=C(c1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000010657262 556762734 /nfs/dbraw/zinc/76/27/34/556762734.db2.gz QQXXVPCQBJQYCB-UHFFFAOYSA-N 0 0 448.544 4.223 50 0 IIAARN COc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000058158671 556763562 /nfs/dbraw/zinc/76/35/62/556763562.db2.gz CBHDVTMWPBYFHM-UHFFFAOYSA-N 0 0 428.747 4.416 50 0 IIAARN NC(=O)C1CCN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000058159610 556764099 /nfs/dbraw/zinc/76/40/99/556764099.db2.gz JQRKNXXCDJQEQE-SFHVURJKSA-N 0 0 439.865 4.236 50 0 IIAARN C[C@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000058161233 556765154 /nfs/dbraw/zinc/76/51/54/556765154.db2.gz ZTVHNYJQXSQFLL-QFBILLFUSA-N 0 0 437.565 4.472 50 0 IIAARN CCN(CC(=O)Nc1cccc(Oc2ccccc2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058161386 556765209 /nfs/dbraw/zinc/76/52/09/556765209.db2.gz OQXGXUCRXOHQSQ-UHFFFAOYSA-N 0 0 428.492 4.176 50 0 IIAARN O=C(Cc1csc(-c2ccsc2)n1)N(CCO)Cc1ccccc1Br ZINC000058161529 556765508 /nfs/dbraw/zinc/76/55/08/556765508.db2.gz LLYMXUNSYXZHFV-UHFFFAOYSA-N 0 0 437.384 4.198 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 ZINC000062022797 556765981 /nfs/dbraw/zinc/76/59/81/556765981.db2.gz YFJIQOARSXYHLQ-IBGZPJMESA-N 0 0 440.507 4.310 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CN2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000058164449 556766214 /nfs/dbraw/zinc/76/62/14/556766214.db2.gz FBRGIHFRSUDKDV-UHFFFAOYSA-N 0 0 431.569 4.495 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)c1 ZINC000019487968 556768300 /nfs/dbraw/zinc/76/83/00/556768300.db2.gz NCJXGFUFZZBSHC-UHFFFAOYSA-N 0 0 435.553 4.109 50 0 IIAARN CCN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058176711 556769833 /nfs/dbraw/zinc/76/98/33/556769833.db2.gz KRQIZPGGULJYAA-UHFFFAOYSA-N 0 0 428.492 4.176 50 0 IIAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccccc1 ZINC000001320835 556770509 /nfs/dbraw/zinc/77/05/09/556770509.db2.gz XZGFTHJZNQDIGK-UHFFFAOYSA-N 0 0 432.505 4.213 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000058231531 556774266 /nfs/dbraw/zinc/77/42/66/556774266.db2.gz YSATVNNAPBXDOM-UHFFFAOYSA-N 0 0 440.459 4.249 50 0 IIAARN CCOC(=O)c1sc(NC(=O)[C@@](C)(NC(C)=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000058305126 556778879 /nfs/dbraw/zinc/77/88/79/556778879.db2.gz VOCJRTWHLLOROG-IBGZPJMESA-N 0 0 442.459 4.242 50 0 IIAARN CN(C)C(=O)[C@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)c2ccccc2O1 ZINC000058356237 556782410 /nfs/dbraw/zinc/78/24/10/556782410.db2.gz YBKRQOZWGVWETC-LJQANCHMSA-N 0 0 428.579 4.051 50 0 IIAARN Cc1cccc(C(=O)Nc2cccc(Oc3ncccn3)c2)c1I ZINC000058356342 556782731 /nfs/dbraw/zinc/78/27/31/556782731.db2.gz WBRJALHCPJWHGX-UHFFFAOYSA-N 0 0 431.233 4.434 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(N3CCCCC3)c(Cl)c1)C[C@@H]2O ZINC000058391501 556784866 /nfs/dbraw/zinc/78/48/66/556784866.db2.gz UJHFUOQKIYJUIX-IBGZPJMESA-N 0 0 445.947 4.429 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000058416959 556786998 /nfs/dbraw/zinc/78/69/98/556786998.db2.gz WJXLNARDSHLFEW-UHFFFAOYSA-N 0 0 427.863 4.152 50 0 IIAARN COc1ccccc1C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCOCC1 ZINC000058421651 556787403 /nfs/dbraw/zinc/78/74/03/556787403.db2.gz LLGJQPWUBJCRMG-UHFFFAOYSA-N 0 0 425.916 4.055 50 0 IIAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000058425017 556787819 /nfs/dbraw/zinc/78/78/19/556787819.db2.gz DFLFDGUBOGMLNA-INIZCTEOSA-N 0 0 448.331 4.397 50 0 IIAARN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000058440066 556789019 /nfs/dbraw/zinc/78/90/19/556789019.db2.gz AFWNYEKWBKRKIK-UKILVPOCSA-N 0 0 434.536 4.167 50 0 IIAARN O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000058908566 556792804 /nfs/dbraw/zinc/79/28/04/556792804.db2.gz HKOKFSIMUVUHEJ-UHFFFAOYSA-N 0 0 427.291 4.032 50 0 IIAARN O=C(N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019535212 556793928 /nfs/dbraw/zinc/79/39/28/556793928.db2.gz AEGWESKYHJLOEM-CYBMUJFWSA-N 0 0 426.525 4.258 50 0 IIAARN CCOC(=O)N1CCN(C(=O)/C(=C\c2ccc(Br)cc2)c2cccs2)CC1 ZINC000043698917 556794033 /nfs/dbraw/zinc/79/40/33/556794033.db2.gz SDNQSNVOXQRZIB-VKAVYKQESA-N 0 0 449.370 4.352 50 0 IIAARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000059301430 556797517 /nfs/dbraw/zinc/79/75/17/556797517.db2.gz HUXYUGNRSGYMEY-AUSIDOKSSA-N 0 0 442.494 4.086 50 0 IIAARN O=C(COc1coc(CN2CCCCC2)cc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000072401592 556801055 /nfs/dbraw/zinc/80/10/55/556801055.db2.gz NPBQXAVJEYPTOR-UHFFFAOYSA-N 0 0 434.492 4.436 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000060060860 556806108 /nfs/dbraw/zinc/80/61/08/556806108.db2.gz NPVPLVZFWYOINS-LJQANCHMSA-N 0 0 426.561 4.208 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)nc1Cl ZINC000060098685 556806564 /nfs/dbraw/zinc/80/65/64/556806564.db2.gz VOZAEUUJNFHBDL-UHFFFAOYSA-N 0 0 431.117 4.170 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCN(Cc4nc5ccccc5s4)CC3)c2C)no1 ZINC000084080275 556809465 /nfs/dbraw/zinc/80/94/65/556809465.db2.gz REURIINDVIAJPJ-UHFFFAOYSA-N 0 0 449.580 4.001 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)N1CCc2[nH]c3cc(-c4ccccc4)nn3c(=O)c2C1 ZINC000097942093 556812792 /nfs/dbraw/zinc/81/27/92/556812792.db2.gz LINDNQDVJKCCIB-UHFFFAOYSA-N 0 0 433.899 4.242 50 0 IIAARN CCCCn1c(N)c(N(CCC(C)C)Cc2csc(-c3ccccc3)n2)c(=O)[nH]c1=O ZINC000022991193 556815089 /nfs/dbraw/zinc/81/50/89/556815089.db2.gz UBJMSOVIWGXUCM-UHFFFAOYSA-N 0 0 441.601 4.095 50 0 IIAARN C[C@H](OC(=O)/C=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000096450232 556815370 /nfs/dbraw/zinc/81/53/70/556815370.db2.gz OKBIIHNLRLFPFB-FWAPLPHYSA-N 0 0 428.204 4.450 50 0 IIAARN COc1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1Cl ZINC000033061339 556817304 /nfs/dbraw/zinc/81/73/04/556817304.db2.gz RNHXOLZQJGKZHV-UHFFFAOYSA-N 0 0 430.917 4.332 50 0 IIAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)n2C)cc1 ZINC000033064388 556819044 /nfs/dbraw/zinc/81/90/44/556819044.db2.gz WAQKPJGCRYIJLJ-UHFFFAOYSA-N 0 0 436.537 4.153 50 0 IIAARN Cc1cc(C)cc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000064591432 556825181 /nfs/dbraw/zinc/82/51/81/556825181.db2.gz JLWQSMWYJCBPEW-UHFFFAOYSA-N 0 0 429.524 4.075 50 0 IIAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000064816769 556827511 /nfs/dbraw/zinc/82/75/11/556827511.db2.gz DOZIDEDSIOHETD-UHFFFAOYSA-N 0 0 444.535 4.168 50 0 IIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000096545346 556829406 /nfs/dbraw/zinc/82/94/06/556829406.db2.gz CCMZYQHUIQLREF-MLRPBERTSA-N 0 0 432.973 4.230 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccccc1Cl ZINC000096545343 556829458 /nfs/dbraw/zinc/82/94/58/556829458.db2.gz VYATUDZMRHPBNZ-NOCRFKNCSA-N 0 0 432.973 4.230 50 0 IIAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000064958747 556829718 /nfs/dbraw/zinc/82/97/18/556829718.db2.gz LEROTAWQDQUSCU-OAQYLSRUSA-N 0 0 443.526 4.111 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccc(C)cc3)ccc21 ZINC000064983978 556829909 /nfs/dbraw/zinc/82/99/09/556829909.db2.gz JUCGMNWSJULAOO-OAQYLSRUSA-N 0 0 428.554 4.046 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@H]3c3cccc(C)c3)ccc21 ZINC000064983980 556830024 /nfs/dbraw/zinc/83/00/24/556830024.db2.gz ZMIZSLZUYFJGBZ-NRFANRHFSA-N 0 0 428.554 4.046 50 0 IIAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(F)ccc4C)cc32)cc1 ZINC000065003169 556831463 /nfs/dbraw/zinc/83/14/63/556831463.db2.gz UFKVPYWXMCNYKZ-UHFFFAOYSA-N 0 0 438.524 4.124 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000065003568 556831481 /nfs/dbraw/zinc/83/14/81/556831481.db2.gz NQJUPJHBWUPVSM-LJQANCHMSA-N 0 0 434.561 4.373 50 0 IIAARN CCOc1ccc(Oc2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1 ZINC000019629097 556831882 /nfs/dbraw/zinc/83/18/82/556831882.db2.gz HKCBSDNCOCWPJM-UHFFFAOYSA-N 0 0 446.550 4.198 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1CC ZINC000019636435 556835345 /nfs/dbraw/zinc/83/53/45/556835345.db2.gz ASGHFKLIWWWJOI-UHFFFAOYSA-N 0 0 442.541 4.015 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)c12 ZINC000019638439 556836491 /nfs/dbraw/zinc/83/64/91/556836491.db2.gz SSZALPFMSMZIBY-UHFFFAOYSA-N 0 0 443.526 4.134 50 0 IIAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)NCc2ccco2)c1 ZINC000334161500 556837245 /nfs/dbraw/zinc/83/72/45/556837245.db2.gz BLCNODBKXFKBAB-UHFFFAOYSA-N 0 0 437.521 4.125 50 0 IIAARN Cc1nc(/C=C\C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cs1 ZINC000096794676 556845776 /nfs/dbraw/zinc/84/57/76/556845776.db2.gz CHSJGUYDRAQUOR-SREVYHEPSA-N 0 0 428.558 4.072 50 0 IIAARN Cc1csc2nc(COC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)cc(=O)n12 ZINC000008826069 556849184 /nfs/dbraw/zinc/84/91/84/556849184.db2.gz PXKAZDPYZSPEMG-UHFFFAOYSA-N 0 0 430.489 4.069 50 0 IIAARN Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 ZINC000068713277 556849537 /nfs/dbraw/zinc/84/95/37/556849537.db2.gz NEIBLKTYYGFMAE-DEOSSOPVSA-N 0 0 439.895 4.436 50 0 IIAARN Cc1ccc2[nH]c(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc2c1 ZINC000033071947 556852065 /nfs/dbraw/zinc/85/20/65/556852065.db2.gz RHSDGHUPRYECKG-SFHVURJKSA-N 0 0 437.975 4.090 50 0 IIAARN CC(C)C[C@H](C)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078679 556853747 /nfs/dbraw/zinc/85/37/47/556853747.db2.gz FCNDNYLUPPHKGB-KRWDZBQOSA-N 0 0 427.520 4.333 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078816 556853899 /nfs/dbraw/zinc/85/38/99/556853899.db2.gz YWHGWYOTRVXAGL-UHFFFAOYSA-N 0 0 447.510 4.407 50 0 IIAARN CN1CCN(c2nc3ccccc3nc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000033086073 556856977 /nfs/dbraw/zinc/85/69/77/556856977.db2.gz RDHVSCMOLKOXKS-UHFFFAOYSA-N 0 0 449.864 4.306 50 0 IIAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2)no1 ZINC000033086472 556857299 /nfs/dbraw/zinc/85/72/99/556857299.db2.gz YIXDBSRJMDRULR-UHFFFAOYSA-N 0 0 436.331 4.479 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088669 556857973 /nfs/dbraw/zinc/85/79/73/556857973.db2.gz VRVMKQNBRPNMLR-UHFFFAOYSA-N 0 0 428.897 4.406 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106690 556859420 /nfs/dbraw/zinc/85/94/20/556859420.db2.gz JBKLVVMBFYRYNS-UHFFFAOYSA-N 0 0 426.520 4.056 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033113383 556860151 /nfs/dbraw/zinc/86/01/51/556860151.db2.gz MXLKZHDIZGUFHS-CQSZACIVSA-N 0 0 425.489 4.341 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1Cl ZINC000033114634 556861476 /nfs/dbraw/zinc/86/14/76/556861476.db2.gz GECFZRYULUIFSR-UHFFFAOYSA-N 0 0 432.807 4.391 50 0 IIAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)N1CCN(c2ncccn2)CC1 ZINC000033116324 556862000 /nfs/dbraw/zinc/86/20/00/556862000.db2.gz SKESIBVSLUXMFX-UHFFFAOYSA-N 0 0 447.539 4.140 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2COc3ccc(NC(=O)Nc4ccccc4)cc3C2)c1 ZINC000033121656 556862836 /nfs/dbraw/zinc/86/28/36/556862836.db2.gz GWMFUCPDCJLUGP-IBGZPJMESA-N 0 0 431.492 4.207 50 0 IIAARN CCCc1cc(Sc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)n2ncnc2n1 ZINC000033121967 556862981 /nfs/dbraw/zinc/86/29/81/556862981.db2.gz PYNIWZJOKGKMHI-UHFFFAOYSA-N 0 0 449.536 4.498 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(Sc3cc(C)nc4ncnn43)cc2)cc1 ZINC000033122092 556863014 /nfs/dbraw/zinc/86/30/14/556863014.db2.gz BBEDENUDEFHVTN-UHFFFAOYSA-N 0 0 448.508 4.405 50 0 IIAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000033122788 556863583 /nfs/dbraw/zinc/86/35/83/556863583.db2.gz ONADBXVRKFCPPJ-UHFFFAOYSA-N 0 0 445.456 4.311 50 0 IIAARN COc1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128150 556865046 /nfs/dbraw/zinc/86/50/46/556865046.db2.gz RZEWIHGOLDSHNP-CQSZACIVSA-N 0 0 429.929 4.322 50 0 IIAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126116 556866732 /nfs/dbraw/zinc/86/67/32/556866732.db2.gz NCDJRTOXHXNGQU-OAQYLSRUSA-N 0 0 434.559 4.055 50 0 IIAARN COc1cc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)ccc1OC(C)C ZINC000004672666 556868165 /nfs/dbraw/zinc/86/81/65/556868165.db2.gz OGPSTIXJOTUGIL-XMMPIXPASA-N 0 0 428.573 4.470 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 ZINC000033129609 556868736 /nfs/dbraw/zinc/86/87/36/556868736.db2.gz KRNPHPQRUUWLBM-UHFFFAOYSA-N 0 0 433.439 4.490 50 0 IIAARN CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)nc1 ZINC000033138475 556869856 /nfs/dbraw/zinc/86/98/56/556869856.db2.gz JTMISCIFQCLYKF-UHFFFAOYSA-N 0 0 441.578 4.400 50 0 IIAARN CCCCN(C)c1ccc2nnc(CCc3nc(-c4cccc(C(F)(F)F)c4)no3)n2n1 ZINC000033130645 556870871 /nfs/dbraw/zinc/87/08/71/556870871.db2.gz LGQSJYJZPIGPGI-UHFFFAOYSA-N 0 0 445.449 4.215 50 0 IIAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(Cl)c1 ZINC000011228544 556876116 /nfs/dbraw/zinc/87/61/16/556876116.db2.gz MEQKMUSIKRCUQI-AWEZNQCLSA-N 0 0 441.881 4.276 50 0 IIAARN CCc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141728 556877896 /nfs/dbraw/zinc/87/78/96/556877896.db2.gz XVKTUXYFWKTJCJ-UHFFFAOYSA-N 0 0 428.579 4.374 50 0 IIAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c1=O ZINC000033171749 556882660 /nfs/dbraw/zinc/88/26/60/556882660.db2.gz NFTSOKDRGFXQOU-UHFFFAOYSA-N 0 0 441.487 4.132 50 0 IIAARN Cc1ccc(-c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)cc1 ZINC000033174739 556884276 /nfs/dbraw/zinc/88/42/76/556884276.db2.gz OSFUHOCPOMCBAM-UHFFFAOYSA-N 0 0 426.442 4.433 50 0 IIAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)Nc3ccccc3)CC2)c1C ZINC000033170128 556885529 /nfs/dbraw/zinc/88/55/29/556885529.db2.gz XXHTXINBBQWROH-UHFFFAOYSA-N 0 0 433.581 4.151 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc2cccnc21 ZINC000033170445 556885712 /nfs/dbraw/zinc/88/57/12/556885712.db2.gz SUOOUCSWBPCJMO-UHFFFAOYSA-N 0 0 432.911 4.452 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@H](C)c3ccc(OC)cc3)cc2)nc2cccnc21 ZINC000033170468 556885967 /nfs/dbraw/zinc/88/59/67/556885967.db2.gz LKHMTLWSOBMJQH-QGZVFWFLSA-N 0 0 442.519 4.368 50 0 IIAARN C[C@@H]1CCCN(c2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)C1 ZINC000033175182 556886636 /nfs/dbraw/zinc/88/66/36/556886636.db2.gz WATCGGVZDTWREQ-OAHLLOKOSA-N 0 0 444.457 4.290 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cccc(C)c2C)cc1 ZINC000004703325 556888562 /nfs/dbraw/zinc/88/85/62/556888562.db2.gz CPPQNQSFBPIAQW-TUNNFDKTSA-N 0 0 426.582 4.112 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)C4CCCCC4)CC3)c2c1 ZINC000033254695 556891012 /nfs/dbraw/zinc/89/10/12/556891012.db2.gz AJPOHAYIVQHBDO-UHFFFAOYSA-N 0 0 425.573 4.044 50 0 biogenic IIAARN CC[C@H](C(=O)NCCc1ccccc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251103 556891907 /nfs/dbraw/zinc/89/19/07/556891907.db2.gz XBUITWGTXRGVIK-GOSISDBHSA-N 0 0 431.458 4.342 50 0 IIAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251991 556892501 /nfs/dbraw/zinc/89/25/01/556892501.db2.gz SDKAKGLVUOVFJU-KRWDZBQOSA-N 0 0 431.316 4.314 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000033255269 556894864 /nfs/dbraw/zinc/89/48/64/556894864.db2.gz TZISSQUMMZAGFL-UHFFFAOYSA-N 0 0 438.459 4.464 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1C ZINC000033255733 556895079 /nfs/dbraw/zinc/89/50/79/556895079.db2.gz IXFFKLOMLOGARK-PMACEKPBSA-N 0 0 440.565 4.088 50 0 IIAARN COc1ccc(CNC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1 ZINC000033258661 556896380 /nfs/dbraw/zinc/89/63/80/556896380.db2.gz BLEMTZHHHBVRQF-UHFFFAOYSA-N 0 0 429.480 4.047 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3ccc4nnc(-c5ccc(Cl)cc5)n4c3)CC2)c1 ZINC000033261889 556899836 /nfs/dbraw/zinc/89/98/36/556899836.db2.gz QWFRBUOZCNWIDT-UHFFFAOYSA-N 0 0 447.926 4.021 50 0 IIAARN CC(C)NC(=O)CSc1nc2cc(-c3ccccc3)[nH]c2c(=O)n1Cc1ccccc1 ZINC000033262548 556900842 /nfs/dbraw/zinc/90/08/42/556900842.db2.gz IPUPSWGHLCTXOV-UHFFFAOYSA-N 0 0 432.549 4.057 50 0 IIAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(CCc1cccs1)C1CCOCC1 ZINC000206677471 556913036 /nfs/dbraw/zinc/91/30/36/556913036.db2.gz UEKLWLFBTOKWTO-UHFFFAOYSA-N 0 0 435.489 4.059 50 0 IIAARN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000019771234 556913132 /nfs/dbraw/zinc/91/31/32/556913132.db2.gz XCMCJRHXACXIHD-INIZCTEOSA-N 0 0 439.503 4.093 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccnc2)cc1 ZINC000019823813 556925201 /nfs/dbraw/zinc/92/52/01/556925201.db2.gz XUUONUHBDJMFKZ-UHFFFAOYSA-N 0 0 435.484 4.208 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nnc2-c2ccco2)cc1 ZINC000019824337 556925420 /nfs/dbraw/zinc/92/54/20/556925420.db2.gz CVYRNRDHIPEXLI-UHFFFAOYSA-N 0 0 436.493 4.275 50 0 IIAARN Cn1cc(CN2CCN(C(=O)c3ccco3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000019837383 556928431 /nfs/dbraw/zinc/92/84/31/556928431.db2.gz JFXMPFFGACFIBP-UHFFFAOYSA-N 0 0 442.519 4.430 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868489 556935254 /nfs/dbraw/zinc/93/52/54/556935254.db2.gz ZNAHGPNNOWECPL-UHFFFAOYSA-N 0 0 444.450 4.025 50 0 IIAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(OC)c(OC)c2)CO1 ZINC000019882532 556937574 /nfs/dbraw/zinc/93/75/74/556937574.db2.gz LPYHSZYMJMCBKT-UHFFFAOYSA-N 0 0 429.900 4.421 50 0 biogenic IIAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000019889988 556938864 /nfs/dbraw/zinc/93/88/64/556938864.db2.gz GAXLASJONLSCSC-BWAHOGKJSA-N 0 0 443.547 4.012 50 0 IIAARN COc1cccc(-c2cc(=O)c3cc(Br)cc(Br)c(=O)c3o2)c1 ZINC000019909809 556943156 /nfs/dbraw/zinc/94/31/56/556943156.db2.gz ZIZDIAHWJYGWHA-UHFFFAOYSA-N 0 0 438.071 4.354 50 0 IIAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=N[C@@H]2c1ccc(Cl)cc1 ZINC000020028274 556967410 /nfs/dbraw/zinc/96/74/10/556967410.db2.gz ASCCJPFSHZWRLX-NRFANRHFSA-N 0 0 434.931 4.062 50 0 IIAARN Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000033265031 556975085 /nfs/dbraw/zinc/97/50/85/556975085.db2.gz JUMMOOPJGOKIQU-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C(C)C)c4)cc3)c2cc1OC ZINC000073224167 556976903 /nfs/dbraw/zinc/97/69/03/556976903.db2.gz TWYCZJMOEMMCGC-UHFFFAOYSA-N 0 0 447.495 4.398 50 0 in-vitro IIAARN O=C(NCCCc1ccccc1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000033266552 556977284 /nfs/dbraw/zinc/97/72/84/556977284.db2.gz RGCRJERKXJQYFA-UHFFFAOYSA-N 0 0 445.592 4.423 50 0 IIAARN CCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OCC)cc1 ZINC000020069148 556978390 /nfs/dbraw/zinc/97/83/90/556978390.db2.gz GNZXLBSCUNNIAX-VQTJNVASSA-N 0 0 437.569 4.019 50 0 IIAARN CCOc1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000020095329 556979205 /nfs/dbraw/zinc/97/92/05/556979205.db2.gz WZGVEALMCLVLJS-UHFFFAOYSA-N 0 0 431.536 4.443 50 0 IIAARN Cc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000020101952 556980538 /nfs/dbraw/zinc/98/05/38/556980538.db2.gz FSRABZGMMCZKPJ-JOCHJYFZSA-N 0 0 429.442 4.215 50 0 IIAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NC[C@@H]1CCCO1 ZINC000020102791 556980683 /nfs/dbraw/zinc/98/06/83/556980683.db2.gz NZYBOSRDAMGJIW-AWEZNQCLSA-N 0 0 439.585 4.282 50 0 IIAARN COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033268655 556985271 /nfs/dbraw/zinc/98/52/71/556985271.db2.gz HXSKDDXHOGCAAJ-UHFFFAOYSA-N 0 0 435.867 4.188 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3[nH]2)c(C(=O)OCC)c1C ZINC000020168065 556994340 /nfs/dbraw/zinc/99/43/40/556994340.db2.gz COLAQGLFZPYLDT-UHFFFAOYSA-N 0 0 447.538 4.017 50 0 IIAARN COc1ccc([C@@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(Br)cc2)c(OC)c1 ZINC000020212861 556998927 /nfs/dbraw/zinc/99/89/27/556998927.db2.gz DNVTZFQGIONMCE-LJQANCHMSA-N 0 0 428.286 4.248 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c12 ZINC000011247116 556999227 /nfs/dbraw/zinc/99/92/27/556999227.db2.gz ZFMKDXREWJXZFZ-UHFFFAOYSA-N 0 0 432.455 4.426 50 0 IIAARN O=C(NC[C@H](c1cccc2ccccc21)N1CCOCC1)c1cccc(Br)c1 ZINC000023106448 557001222 /nfs/dbraw/zinc/00/12/22/557001222.db2.gz SFAAWGJHWLICPL-JOCHJYFZSA-N 0 0 439.353 4.406 50 0 IIAARN O=C(NC[C@@H](c1cccc2ccccc21)N1CCOCC1)c1ccc(Br)cc1 ZINC000023106463 557001253 /nfs/dbraw/zinc/00/12/53/557001253.db2.gz AULWEAKVWCLXGL-QFIPXVFZSA-N 0 0 439.353 4.406 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCN(C)C1 ZINC000020292341 557005963 /nfs/dbraw/zinc/00/59/63/557005963.db2.gz HYFNMWXPNAVYPT-UHFFFAOYSA-N 0 0 433.986 4.094 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000020321796 557007786 /nfs/dbraw/zinc/00/77/86/557007786.db2.gz NRYASVIMRGPMFS-VMPITWQZSA-N 0 0 441.380 4.022 50 0 IIAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072453356 557009786 /nfs/dbraw/zinc/00/97/86/557009786.db2.gz NERZOUUZJJQBKI-QGZVFWFLSA-N 0 0 444.413 4.237 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c(C)c1 ZINC000020355980 557009993 /nfs/dbraw/zinc/00/99/93/557009993.db2.gz KQAXVMVPNIAGDT-UHFFFAOYSA-N 0 0 443.532 4.339 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C)n4ccn3n2)cc1 ZINC000045971255 557013931 /nfs/dbraw/zinc/01/39/31/557013931.db2.gz YZAQWXOXYKLUJF-UHFFFAOYSA-N 0 0 428.521 4.392 50 0 IIAARN Cc1cc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)ccc1F ZINC000045994553 557014802 /nfs/dbraw/zinc/01/48/02/557014802.db2.gz KTDICYMEFUPHBZ-UHFFFAOYSA-N 0 0 429.451 4.422 50 0 IIAARN Cn1c(CN2CCN(c3ccccc3NC(=O)C3CCCCC3)CC2)nc2ccccc21 ZINC000020428255 557016095 /nfs/dbraw/zinc/01/60/95/557016095.db2.gz PEYANIXIVQXRIN-UHFFFAOYSA-N 0 0 431.584 4.414 50 0 IIAARN COc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)c2c(C)nn(-c3ccccc3)c2n1 ZINC000045991800 557017421 /nfs/dbraw/zinc/01/74/21/557017421.db2.gz MYDXCDMABLTXFY-SFHVURJKSA-N 0 0 430.508 4.130 50 0 IIAARN COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)n(C)n2)cc1Cl ZINC000020616479 557017984 /nfs/dbraw/zinc/01/79/84/557017984.db2.gz RSUYYMGPEYGBIU-UHFFFAOYSA-N 0 0 449.294 4.249 50 0 IIAARN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023137947 557018338 /nfs/dbraw/zinc/01/83/38/557018338.db2.gz LJGYAYGYINTNAI-UHFFFAOYSA-N 0 0 435.427 4.142 50 0 IIAARN O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000010691285 557018784 /nfs/dbraw/zinc/01/87/84/557018784.db2.gz IJEZGDJLQLKHNX-UHFFFAOYSA-N 0 0 435.461 4.088 50 0 IIAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccn2)CC1 ZINC000023136577 557019161 /nfs/dbraw/zinc/01/91/61/557019161.db2.gz YPCUELQRNWVKRX-UHFFFAOYSA-N 0 0 447.486 4.192 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020310 557020939 /nfs/dbraw/zinc/02/09/39/557020939.db2.gz PZVCRAMLECAXEB-UHFFFAOYSA-N 0 0 435.933 4.343 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1 ZINC000032944029 557022772 /nfs/dbraw/zinc/02/27/72/557022772.db2.gz IOVMMUMOFCRLLX-AWEZNQCLSA-N 0 0 432.567 4.123 50 0 IIAARN Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1 ZINC000046031570 557024386 /nfs/dbraw/zinc/02/43/86/557024386.db2.gz MPTNSHNLCJDOLU-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc2nc(C)n(-c3ccc(C)cc3)c(=O)c2c1 ZINC000023143792 557025575 /nfs/dbraw/zinc/02/55/75/557025575.db2.gz NAUDIOGLSCAXGU-UHFFFAOYSA-N 0 0 429.476 4.029 50 0 IIAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3ccc4c(c3)OCCO4)nc2c(C)c1 ZINC000023144830 557026568 /nfs/dbraw/zinc/02/65/68/557026568.db2.gz UHAWIMKMJFJIBP-UHFFFAOYSA-N 0 0 434.521 4.228 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccnc1Cl)CCCC2 ZINC000010801673 557028038 /nfs/dbraw/zinc/02/80/38/557028038.db2.gz QCMRMRIVJRDJPK-NSHDSACASA-N 0 0 436.917 4.036 50 0 IIAARN COc1cccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)c1 ZINC000046057060 557028828 /nfs/dbraw/zinc/02/88/28/557028828.db2.gz JTBYSBLZMSSDHJ-QGZVFWFLSA-N 0 0 440.297 4.261 50 0 IIAARN Cc1nn(-c2cccc(F)c2)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057710 557029038 /nfs/dbraw/zinc/02/90/38/557029038.db2.gz USJLTJIETPPSJN-MRXNPFEDSA-N 0 0 428.261 4.391 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)ccc1OCC(N)=O ZINC000046076070 557032515 /nfs/dbraw/zinc/03/25/15/557032515.db2.gz HCKZPOLMOCEQEB-KRWDZBQOSA-N 0 0 436.533 4.460 50 0 IIAARN CS(=O)(=O)c1ccc2nc(N(Cc3ccco3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000010836229 557033871 /nfs/dbraw/zinc/03/38/71/557033871.db2.gz UIFWLAAJFRLJJL-UHFFFAOYSA-N 0 0 444.509 4.208 50 0 IIAARN CCc1ccc(-c2noc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)n2)cc1 ZINC000010838991 557033949 /nfs/dbraw/zinc/03/39/49/557033949.db2.gz SDRYZLHDNDXBDN-UHFFFAOYSA-N 0 0 444.582 4.161 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O ZINC000046079186 557034021 /nfs/dbraw/zinc/03/40/21/557034021.db2.gz QWIJACUGZOALSK-OAQYLSRUSA-N 0 0 438.915 4.420 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080057 557035354 /nfs/dbraw/zinc/03/53/54/557035354.db2.gz VMXVCXYVAMLUBR-UHFFFAOYSA-N 0 0 443.503 4.178 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000046122888 557036479 /nfs/dbraw/zinc/03/64/79/557036479.db2.gz ZIVVRWUFIKWZSB-QGZVFWFLSA-N 0 0 436.537 4.127 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)c3ccccc3)C2)s1 ZINC000046122871 557036483 /nfs/dbraw/zinc/03/64/83/557036483.db2.gz YJFAXGMHZBTPTM-HNNXBMFYSA-N 0 0 426.929 4.464 50 0 IIAARN CC(C)[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000010852486 557039736 /nfs/dbraw/zinc/03/97/36/557039736.db2.gz AMNAKMQJPDORSM-JOCHJYFZSA-N 0 0 434.627 4.369 50 0 IIAARN O=C(Nc1nc2ccccc2s1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000017201235 557041092 /nfs/dbraw/zinc/04/10/92/557041092.db2.gz RRCCGJWLCUIGIM-UHFFFAOYSA-N 0 0 427.482 4.489 50 0 IIAARN CCc1ccc(-c2noc(CSc3ccc(S(=O)(=O)N(CC)CC)cn3)n2)cc1 ZINC000010865311 557044002 /nfs/dbraw/zinc/04/40/02/557044002.db2.gz AAQNNFRKQUEFKL-UHFFFAOYSA-N 0 0 432.571 4.017 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4F)s3)cc2)C1 ZINC000017244834 557044051 /nfs/dbraw/zinc/04/40/51/557044051.db2.gz NJKDTBMLEDNNRY-KBPBESRZSA-N 0 0 447.557 4.354 50 0 IIAARN CCCCCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)c1 ZINC000017270035 557048464 /nfs/dbraw/zinc/04/84/64/557048464.db2.gz XLKIOKDABYRVTL-UHFFFAOYSA-N 0 0 447.582 4.368 50 0 IIAARN CCOc1ccc(-c2nn3c(ncc(NC(=O)c4ccc(C(C)(C)C)cc4)c3=O)o2)cc1 ZINC000033271220 557048995 /nfs/dbraw/zinc/04/89/95/557048995.db2.gz XNTUHFYISMLYSN-UHFFFAOYSA-N 0 0 432.480 4.298 50 0 IIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000048262422 557049958 /nfs/dbraw/zinc/04/99/58/557049958.db2.gz DQIGKUSEDCUFRL-GOSISDBHSA-N 0 0 442.581 4.206 50 0 IIAARN COc1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)sc2c1 ZINC000004732558 557050421 /nfs/dbraw/zinc/05/04/21/557050421.db2.gz RDSJNGYKDCCYKY-UHFFFAOYSA-N 0 0 445.547 4.420 50 0 aggregator IIAARN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cn1 ZINC000048273057 557051149 /nfs/dbraw/zinc/05/11/49/557051149.db2.gz HHAVJXFSLBXDRV-QGZVFWFLSA-N 0 0 435.480 4.275 50 0 IIAARN CC[C@H](C(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)c1ccccc1 ZINC000033273610 557051845 /nfs/dbraw/zinc/05/18/45/557051845.db2.gz SCVHNCXJWPESIC-QFIPXVFZSA-N 0 0 446.551 4.167 50 0 IIAARN Cc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)c(OCc2ccccc2)c1 ZINC000048252634 557052232 /nfs/dbraw/zinc/05/22/32/557052232.db2.gz YUDFEXZBOMCPLY-UHFFFAOYSA-N 0 0 432.524 4.127 50 0 IIAARN COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1N1CCCCC1=O ZINC000048252796 557052252 /nfs/dbraw/zinc/05/22/52/557052252.db2.gz VGMRGMRDPIBDCZ-UHFFFAOYSA-N 0 0 430.888 4.279 50 0 IIAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000033272879 557052820 /nfs/dbraw/zinc/05/28/20/557052820.db2.gz NNYIHIZYRNXTLT-UHFFFAOYSA-N 0 0 426.929 4.464 50 0 IIAARN O=c1oc2cc(Br)ccc2n1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048288984 557054526 /nfs/dbraw/zinc/05/45/26/557054526.db2.gz PPPRGTDZSRSXHX-ZDUSSCGKSA-N 0 0 428.286 4.335 50 0 IIAARN CCOc1ccc(-c2ccc(OCCNC(=O)c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000017314906 557056406 /nfs/dbraw/zinc/05/64/06/557056406.db2.gz ABUCMIBQGHJJEO-UHFFFAOYSA-N 0 0 431.414 4.370 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(F)c(F)c4)n3)cc2)cc1 ZINC000033276455 557056741 /nfs/dbraw/zinc/05/67/41/557056741.db2.gz FLMDZYBYTYINPK-UHFFFAOYSA-N 0 0 443.431 4.491 50 0 IIAARN O=S(=O)(Nc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1)c1ccc(F)cc1 ZINC000033276503 557056884 /nfs/dbraw/zinc/05/68/84/557056884.db2.gz GRMSKAITJJDWTM-UHFFFAOYSA-N 0 0 439.424 4.072 50 0 IIAARN COc1ccc(CN(C)C(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c(OC)c1 ZINC000048285834 557057842 /nfs/dbraw/zinc/05/78/42/557057842.db2.gz NHXWFOWCVWENOA-DHUDBDOYSA-N 0 0 442.600 4.019 50 0 IIAARN CCCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033277957 557059770 /nfs/dbraw/zinc/05/97/70/557059770.db2.gz FJBQSKUWHYTRMD-UHFFFAOYSA-N 0 0 435.528 4.281 50 0 IIAARN O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000023079981 557062473 /nfs/dbraw/zinc/06/24/73/557062473.db2.gz XDXAYQLRRMNEPP-UHFFFAOYSA-N 0 0 433.533 4.262 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CS2 ZINC000023080034 557062747 /nfs/dbraw/zinc/06/27/47/557062747.db2.gz CUUTVJSLTGSWTB-LPHOPBHVSA-N 0 0 427.492 4.088 50 0 IIAARN O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)N[C@@H](c1cccs1)C1CCCC1 ZINC000048301635 557062999 /nfs/dbraw/zinc/06/29/99/557062999.db2.gz ZILHRCBTDUNRFO-JOCHJYFZSA-N 0 0 427.570 4.202 50 0 IIAARN COC(=O)c1cccc(NC(=O)N[C@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 ZINC000032949082 557063397 /nfs/dbraw/zinc/06/33/97/557063397.db2.gz PDXBJJNTNNRETF-OAQYLSRUSA-N 0 0 432.476 4.177 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)c1 ZINC000033284450 557063402 /nfs/dbraw/zinc/06/34/02/557063402.db2.gz VRJLNQHRPVJTOM-UHFFFAOYSA-N 0 0 435.484 4.160 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)c(C)c1 ZINC000033284369 557063450 /nfs/dbraw/zinc/06/34/50/557063450.db2.gz KPFHKFWKAIOROQ-UHFFFAOYSA-N 0 0 449.511 4.468 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21 ZINC000033284395 557063529 /nfs/dbraw/zinc/06/35/29/557063529.db2.gz UIFCBMFXZJJNCP-UHFFFAOYSA-N 0 0 435.484 4.160 50 0 IIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000023121349 557064857 /nfs/dbraw/zinc/06/48/57/557064857.db2.gz YOEWQOLTSVUWHD-UHFFFAOYSA-N 0 0 444.475 4.207 50 0 IIAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCc1ccc(F)cc1 ZINC000023126772 557065419 /nfs/dbraw/zinc/06/54/19/557065419.db2.gz TUKQUWLUKZLBNT-UHFFFAOYSA-N 0 0 427.888 4.234 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5cccc(C)c5)n4)CC3)CC2=O)cc1 ZINC000033281839 557067440 /nfs/dbraw/zinc/06/74/40/557067440.db2.gz QMWCZMGQPRQOLN-OAQYLSRUSA-N 0 0 444.535 4.113 50 0 IIAARN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(-n4ccnc4C)c(F)c3)n2)cc1 ZINC000048314233 557067855 /nfs/dbraw/zinc/06/78/55/557067855.db2.gz OGYZABNNFYHBID-UHFFFAOYSA-N 0 0 435.459 4.340 50 0 IIAARN CCc1cccc(NC(=O)NC2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)c1 ZINC000033290670 557068877 /nfs/dbraw/zinc/06/88/77/557068877.db2.gz VVMJFADVOYQEMA-UHFFFAOYSA-N 0 0 447.583 4.405 50 0 IIAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290495 557068900 /nfs/dbraw/zinc/06/89/00/557068900.db2.gz QBKBGKJZQXMFJS-GOSISDBHSA-N 0 0 430.508 4.308 50 0 IIAARN Cc1ccc([C@H](CN2CCOCC2)Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000023153131 557069357 /nfs/dbraw/zinc/06/93/57/557069357.db2.gz OYYZHRGZGFQGQP-DEOSSOPVSA-N 0 0 425.536 4.486 50 0 IIAARN O=C(CSc1nccn1Cc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000023175075 557070424 /nfs/dbraw/zinc/07/04/24/557070424.db2.gz UBBDVESRTFIIPS-FQEVSTJZSA-N 0 0 435.549 4.158 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2cccs2)c(Br)c1 ZINC000048344952 557071803 /nfs/dbraw/zinc/07/18/03/557071803.db2.gz MEQYKWSMPULLRW-LLVKDONJSA-N 0 0 432.361 4.069 50 0 IIAARN O=C(Nc1cccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1)C1CCC1 ZINC000033296663 557072536 /nfs/dbraw/zinc/07/25/36/557072536.db2.gz GTUSXIZJGBXPDP-OAHLLOKOSA-N 0 0 445.441 4.436 50 0 IIAARN Cc1ccccc1S(=O)(=O)N1CCOc2ccc(COCc3ccccc3F)cc2C1 ZINC000033297427 557073146 /nfs/dbraw/zinc/07/31/46/557073146.db2.gz UXAPVQSTPBPCAM-UHFFFAOYSA-N 0 0 441.524 4.434 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000033297884 557073842 /nfs/dbraw/zinc/07/38/42/557073842.db2.gz GDHDJXBODHQMIB-MLPAPPSSSA-N 0 0 429.473 4.442 50 0 IIAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000048362029 557074252 /nfs/dbraw/zinc/07/42/52/557074252.db2.gz AWJMRENGARXSLW-XMMPIXPASA-N 0 0 435.547 4.084 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1 ZINC000033293227 557076380 /nfs/dbraw/zinc/07/63/80/557076380.db2.gz PUDSYRLOXUQEGG-UHFFFAOYSA-N 0 0 438.534 4.307 50 0 IIAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000010897030 557076406 /nfs/dbraw/zinc/07/64/06/557076406.db2.gz SYCOCFDBNGDATD-UHFFFAOYSA-N 0 0 431.583 4.235 50 0 IIAARN COc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 ZINC000014893289 557077628 /nfs/dbraw/zinc/07/76/28/557077628.db2.gz KNUVVJBDNDAHHP-UHFFFAOYSA-N 0 0 443.503 4.495 50 0 IIAARN O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccccc2Br)no1 ZINC000033300473 557078303 /nfs/dbraw/zinc/07/83/03/557078303.db2.gz OEBFXXMGJNJXIK-UHFFFAOYSA-N 0 0 429.661 4.365 50 0 IIAARN Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)c(Br)c4)no3)n2)cc1 ZINC000033300385 557079423 /nfs/dbraw/zinc/07/94/23/557079423.db2.gz GTBIAHDPHRQPON-UHFFFAOYSA-N 0 0 427.233 4.160 50 0 IIAARN Cc1ccc2occ(CN3CCC(O)(c4ccc(Br)cc4)CC3)c(=O)c2c1 ZINC000023281966 557081814 /nfs/dbraw/zinc/08/18/14/557081814.db2.gz DVYFRPRXKGJWHJ-UHFFFAOYSA-N 0 0 428.326 4.348 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1Cl ZINC000011304156 557081853 /nfs/dbraw/zinc/08/18/53/557081853.db2.gz PXWKTFNSQSCIJK-UHFFFAOYSA-N 0 0 446.981 4.425 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)c1 ZINC000048986574 557082325 /nfs/dbraw/zinc/08/23/25/557082325.db2.gz VTHGKUPLZCSZAS-UHFFFAOYSA-N 0 0 433.581 4.151 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(-c4ccc(C)cc4)ncc32)c1 ZINC000033300938 557082766 /nfs/dbraw/zinc/08/27/66/557082766.db2.gz PVFNALMMELARBC-UHFFFAOYSA-N 0 0 447.520 4.143 50 0 IIAARN Cc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)ncn2)cc1 ZINC000033300775 557082772 /nfs/dbraw/zinc/08/27/72/557082772.db2.gz MGXFHTTZPKLRAL-UHFFFAOYSA-N 0 0 437.341 4.177 50 0 IIAARN O=C(NCc1cccs1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccc(F)cc1)c2=O ZINC000048990397 557083717 /nfs/dbraw/zinc/08/37/17/557083717.db2.gz XSWWTGVEMQPFBR-UHFFFAOYSA-N 0 0 448.523 4.117 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308206 557087911 /nfs/dbraw/zinc/08/79/11/557087911.db2.gz DEYJTXCAOYRXOH-UHFFFAOYSA-N 0 0 449.488 4.319 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000010902397 557089139 /nfs/dbraw/zinc/08/91/39/557089139.db2.gz MFVUIUNYXSWIPZ-QGZVFWFLSA-N 0 0 442.357 4.394 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)N[C@H](C)c4ccccc4)CC3=O)c2)c1 ZINC000033308639 557089521 /nfs/dbraw/zinc/08/95/21/557089521.db2.gz AKLHSHRNYFHQGQ-KNQAVFIVSA-N 0 0 441.531 4.478 50 0 IIAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccc4F)s3)c2C)c1 ZINC000049002373 557090144 /nfs/dbraw/zinc/09/01/44/557090144.db2.gz FJDPCHDLWJAWEV-UHFFFAOYSA-N 0 0 437.500 4.085 50 0 IIAARN O=C1COc2cc(Cl)ccc2N1Cc1nc(-c2ccc(F)c(Br)c2)no1 ZINC000049002854 557090474 /nfs/dbraw/zinc/09/04/74/557090474.db2.gz HJKQCQFOALFLSE-UHFFFAOYSA-N 0 0 438.640 4.217 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1I ZINC000010903343 557090567 /nfs/dbraw/zinc/09/05/67/557090567.db2.gz RKJMCCACBIRVGQ-UHFFFAOYSA-N 0 0 445.304 4.083 50 0 IIAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000011327831 557091018 /nfs/dbraw/zinc/09/10/18/557091018.db2.gz RUKOBXQKXKZJNJ-UHFFFAOYSA-N 0 0 439.537 4.088 50 0 IIAARN O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023411298 557091309 /nfs/dbraw/zinc/09/13/09/557091309.db2.gz MBGNDHSOJCYFEF-FQEVSTJZSA-N 0 0 431.883 4.201 50 0 IIAARN CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000033310173 557093219 /nfs/dbraw/zinc/09/32/19/557093219.db2.gz UVVYNCCRWYVJKP-KRWDZBQOSA-N 0 0 437.544 4.489 50 0 IIAARN O=C(c1ccccc1OCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)N1CCCC1 ZINC000033310374 557093983 /nfs/dbraw/zinc/09/39/83/557093983.db2.gz NGBZYBOHMAHYDS-UHFFFAOYSA-N 0 0 432.564 4.272 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(C)cc1C ZINC000049400962 557096655 /nfs/dbraw/zinc/09/66/55/557096655.db2.gz PBMIUNMFDSGGNN-UHFFFAOYSA-N 0 0 442.519 4.396 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000033312782 557097247 /nfs/dbraw/zinc/09/72/47/557097247.db2.gz OSBJKIOFTNLCMI-QHCPKHFHSA-N 0 0 425.960 4.199 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)c1C ZINC000033312957 557097923 /nfs/dbraw/zinc/09/79/23/557097923.db2.gz UEPYSPOBUDUANW-UHFFFAOYSA-N 0 0 441.579 4.323 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000023555286 557098070 /nfs/dbraw/zinc/09/80/70/557098070.db2.gz PKNVIRLNUWIDKR-UHFFFAOYSA-N 0 0 441.436 4.339 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cc4ccccc4n3C)o2)cc1OC ZINC000033317962 557099852 /nfs/dbraw/zinc/09/98/52/557099852.db2.gz OZFGUKPLPVUIFK-ZDUSSCGKSA-N 0 0 438.509 4.365 50 0 IIAARN CCc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405140 557100402 /nfs/dbraw/zinc/10/04/02/557100402.db2.gz KSIXUPZDCYELLY-UHFFFAOYSA-N 0 0 442.491 4.274 50 0 IIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000033320778 557105165 /nfs/dbraw/zinc/10/51/65/557105165.db2.gz UZKFYCHQPOCADG-UNMCSNQZSA-N 0 0 441.531 4.305 50 0 IIAARN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC000049420816 557107178 /nfs/dbraw/zinc/10/71/78/557107178.db2.gz XCEJRSARFMNMGA-CYBMUJFWSA-N 0 0 432.459 4.133 50 0 IIAARN C[C@H](NC(=O)c1cn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)cn1)c1ccc(F)cc1 ZINC000049420781 557107188 /nfs/dbraw/zinc/10/71/88/557107188.db2.gz CRNZZPAOPQVBDX-AWEZNQCLSA-N 0 0 434.475 4.245 50 0 IIAARN Cc1nnc2c(SCC(=O)Nc3cccc(Br)c3)nc3ccccc3n12 ZINC000049421768 557108607 /nfs/dbraw/zinc/10/86/07/557108607.db2.gz BGHIXZRBTDBPSG-UHFFFAOYSA-N 0 0 428.315 4.079 50 0 IIAARN COc1cccc(CC(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)c1 ZINC000049422249 557109224 /nfs/dbraw/zinc/10/92/24/557109224.db2.gz CJLFPZGKLXRZGZ-UHFFFAOYSA-N 0 0 440.503 4.374 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C(C)C)s2)C12CCCCC2 ZINC000049545329 557111081 /nfs/dbraw/zinc/11/10/81/557111081.db2.gz WZZZNSZKHZEKRM-GOSISDBHSA-N 0 0 442.585 4.189 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCCc2ccccc21 ZINC000011363799 557113710 /nfs/dbraw/zinc/11/37/10/557113710.db2.gz BQXBPKBAFTVTBH-IEBWSBKVSA-N 0 0 449.576 4.036 50 0 IIAARN Cc1cccn2c(=O)cc(COC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 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ZINC000023968717 557128625 /nfs/dbraw/zinc/12/86/25/557128625.db2.gz YLRIOSPKOJQZRU-UHFFFAOYSA-N 0 0 439.562 4.063 50 0 IIAARN CSc1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1 ZINC000023969937 557128755 /nfs/dbraw/zinc/12/87/55/557128755.db2.gz MMHFSTHSOJWJIJ-UHFFFAOYSA-N 0 0 441.622 4.133 50 0 IIAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023982362 557129310 /nfs/dbraw/zinc/12/93/10/557129310.db2.gz SFVPCMZBPNIFNJ-UHFFFAOYSA-N 0 0 441.556 4.485 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)c(Cl)cc1Cl ZINC000000652880 557129450 /nfs/dbraw/zinc/12/94/50/557129450.db2.gz PGODSXKENXHJFG-UHFFFAOYSA-N 0 0 444.336 4.064 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000017957670 557130584 /nfs/dbraw/zinc/13/05/84/557130584.db2.gz BPTNCBIONAKINW-UHFFFAOYSA-N 0 0 437.334 4.240 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000024736803 557130773 /nfs/dbraw/zinc/13/07/73/557130773.db2.gz SDOAKAMWKIDCPH-MRXNPFEDSA-N 0 0 437.323 4.262 50 0 IIAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCO2 ZINC000002859485 557133463 /nfs/dbraw/zinc/13/34/63/557133463.db2.gz PCQGIGRHAZLIBV-UHFFFAOYSA-N 0 0 437.443 4.161 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000017963102 557133477 /nfs/dbraw/zinc/13/34/77/557133477.db2.gz RLKVUHPWQWMXTM-RYUDHWBXSA-N 0 0 427.353 4.195 50 0 IIAARN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)nn12 ZINC000002850481 557134055 /nfs/dbraw/zinc/13/40/55/557134055.db2.gz WCGRNYDOONQOIR-UHFFFAOYSA-N 0 0 434.506 4.034 50 0 IIAARN O=C(CCc1ncc(-c2ccccc2)o1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024759292 557135275 /nfs/dbraw/zinc/13/52/75/557135275.db2.gz RWXQZAMFLQXOOA-UHFFFAOYSA-N 0 0 431.473 4.240 50 0 IIAARN COCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000000698448 557137547 /nfs/dbraw/zinc/13/75/47/557137547.db2.gz IZBBASJPZNCXHB-UHFFFAOYSA-N 0 0 434.418 4.325 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000024209357 557141089 /nfs/dbraw/zinc/14/10/89/557141089.db2.gz UPQJFCTUIOUPFC-FOIQADDNSA-N 0 0 448.585 4.356 50 0 IIAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O ZINC000011417970 557143154 /nfs/dbraw/zinc/14/31/54/557143154.db2.gz PKIMFRCNNGWJRL-MRXNPFEDSA-N 0 0 425.916 4.021 50 0 IIAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024386122 557145960 /nfs/dbraw/zinc/14/59/60/557145960.db2.gz PKQWTWRJEJHEJX-MRXNPFEDSA-N 0 0 426.567 4.176 50 0 IIAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000011443906 557148349 /nfs/dbraw/zinc/14/83/49/557148349.db2.gz JTVVBNZNKKNELF-NSHDSACASA-N 0 0 441.908 4.041 50 0 IIAARN O=C(Cc1cnn(-c2ccccc2)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000024500896 557148772 /nfs/dbraw/zinc/14/87/72/557148772.db2.gz WQKYHDKVFDXINW-UHFFFAOYSA-N 0 0 431.517 4.481 50 0 IIAARN CN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072288349 557148956 /nfs/dbraw/zinc/14/89/56/557148956.db2.gz KFPWTGAILISMEC-UHFFFAOYSA-N 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ZINC000095929281 557161600 /nfs/dbraw/zinc/16/16/00/557161600.db2.gz GBHHFZFJQOOLBY-HSZRJFAPSA-N 0 0 428.492 4.047 50 0 IIAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000024771562 557165926 /nfs/dbraw/zinc/16/59/26/557165926.db2.gz NMQFFMHRDCBMBC-OAHLLOKOSA-N 0 0 443.512 4.257 50 0 IIAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)cc1OC ZINC000000754224 557168663 /nfs/dbraw/zinc/16/86/63/557168663.db2.gz IFNZXNLHDGEBIP-LTGZKZEYSA-N 0 0 428.488 4.064 50 0 IIAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 ZINC000024829266 557169825 /nfs/dbraw/zinc/16/98/25/557169825.db2.gz IRDCJNNAUHIACY-UHFFFAOYSA-N 0 0 429.567 4.436 50 0 IIAARN COc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc(Cl)c1OCC(C)C ZINC000024886501 557181023 /nfs/dbraw/zinc/18/10/23/557181023.db2.gz KPWJXTXCRNNZDL-UHFFFAOYSA-N 0 0 426.922 4.007 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000096210917 557183251 /nfs/dbraw/zinc/18/32/51/557183251.db2.gz CIZBIGHBRPRNPM-UHFFFAOYSA-N 0 0 446.599 4.224 50 0 IIAARN Cc1ccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1C ZINC000000784709 557184810 /nfs/dbraw/zinc/18/48/10/557184810.db2.gz BYBAFTUBIAUQPJ-UHFFFAOYSA-N 0 0 437.499 4.231 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000096230638 557184905 /nfs/dbraw/zinc/18/49/05/557184905.db2.gz OMOGMPYQUXKTFC-INIZCTEOSA-N 0 0 431.483 4.080 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(C)s1)CC2 ZINC000024981764 557185459 /nfs/dbraw/zinc/18/54/59/557185459.db2.gz MRKNGCDJYTYTOL-QFIPXVFZSA-N 0 0 429.563 4.410 50 0 IIAARN Cc1ccc(-c2noc(COC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000024984858 557186215 /nfs/dbraw/zinc/18/62/15/557186215.db2.gz SHLUBYDBOJIRAT-LPOHCXMGSA-N 0 0 449.551 4.296 50 0 IIAARN COc1ccc(CN2CCN(CC(=O)N(Cc3ccco3)C3=CCCCC3)CC2)cc1F ZINC000024984808 557186217 /nfs/dbraw/zinc/18/62/17/557186217.db2.gz RJNKFKIZBRFRMK-UHFFFAOYSA-N 0 0 441.547 4.032 50 0 IIAARN Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCCOc1ccc(Cl)cc1 ZINC000009327865 557186945 /nfs/dbraw/zinc/18/69/45/557186945.db2.gz PDUFJKYVYXYYLD-UHFFFAOYSA-N 0 0 437.352 4.474 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000100821738 557188286 /nfs/dbraw/zinc/18/82/86/557188286.db2.gz ZKWYVWGWIPHJEA-GOSISDBHSA-N 0 0 437.496 4.206 50 0 IIAARN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@H](O)COCc1ccccc1 ZINC000025048728 557191008 /nfs/dbraw/zinc/19/10/08/557191008.db2.gz DIWCEBYKMAVQBI-SFHVURJKSA-N 0 0 426.925 4.356 50 0 IIAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000025048161 557191047 /nfs/dbraw/zinc/19/10/47/557191047.db2.gz UETBKJNYZSFWSA-UHFFFAOYSA-N 0 0 427.504 4.330 50 0 IIAARN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@@H](O)COCc1cccs1 ZINC000025059456 557192700 /nfs/dbraw/zinc/19/27/00/557192700.db2.gz IRVPJWAICGEUIM-OAHLLOKOSA-N 0 0 432.954 4.418 50 0 IIAARN CCOc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)ccc1OCC(C)C ZINC000025058402 557192791 /nfs/dbraw/zinc/19/27/91/557192791.db2.gz MDYLBOOGZNTUSB-IAGOWNOFSA-N 0 0 447.601 4.438 50 0 IIAARN CCOc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)ccc1OCC(C)C ZINC000025058394 557192847 /nfs/dbraw/zinc/19/28/47/557192847.db2.gz MDYLBOOGZNTUSB-IRXDYDNUSA-N 0 0 447.601 4.438 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1)c1cccs1 ZINC000010974878 557198685 /nfs/dbraw/zinc/19/86/85/557198685.db2.gz RAOQGTWPUNLFST-UHFFFAOYSA-N 0 0 437.540 4.488 50 0 IIAARN Cc1sc2nc([C@@H](C)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc(N)c2c1C ZINC000025265094 557201839 /nfs/dbraw/zinc/20/18/39/557201839.db2.gz KBCMDXNRJKFCSV-GFCCVEGCSA-N 0 0 436.507 4.187 50 0 IIAARN O=C(COC(=O)c1ccccc1Br)Nc1ccccc1C(=O)c1ccccc1 ZINC000025390167 557207219 /nfs/dbraw/zinc/20/72/19/557207219.db2.gz AYEJXHGHCZXYJH-UHFFFAOYSA-N 0 0 438.277 4.476 50 0 IIAARN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000169677542 557209583 /nfs/dbraw/zinc/20/95/83/557209583.db2.gz XLTOOFJABUFGKE-ICSRJNTNSA-N 0 0 437.893 4.362 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169677616 557209813 /nfs/dbraw/zinc/20/98/13/557209813.db2.gz SWPUKSPWBIQSAW-IFMALSPDSA-N 0 0 446.975 4.130 50 0 IIAARN O=C(NC1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)c1ccccc1 ZINC000010985791 557211284 /nfs/dbraw/zinc/21/12/84/557211284.db2.gz PCVFDFPTIUDXCW-UHFFFAOYSA-N 0 0 430.430 4.150 50 0 IIAARN CCOC(=O)Cc1nnc(SCc2coc(-c3ccc(F)cc3)n2)n1Cc1ccco1 ZINC000025581561 557216398 /nfs/dbraw/zinc/21/63/98/557216398.db2.gz RPPHZGQTNDVVGO-UHFFFAOYSA-N 0 0 442.472 4.111 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000011001053 557220853 /nfs/dbraw/zinc/22/08/53/557220853.db2.gz AXNNGAPETGLBNC-UHFFFAOYSA-N 0 0 434.561 4.199 50 0 IIAARN COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C(C)C)n2)cc1OC ZINC000010864876 557224662 /nfs/dbraw/zinc/22/46/62/557224662.db2.gz RTFAQNWLFCPEMR-UHFFFAOYSA-N 0 0 438.509 4.337 50 0 IIAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C ZINC000010803308 557225016 /nfs/dbraw/zinc/22/50/16/557225016.db2.gz LJGLSYBUVWAFPS-UHFFFAOYSA-N 0 0 447.564 4.025 50 0 IIAARN Brc1ccc([C@H]2CC(c3cccc(Br)c3)=Nc3nnnn32)cc1 ZINC000101071707 557225281 /nfs/dbraw/zinc/22/52/81/557225281.db2.gz ANXSODVPKXEHOC-OAHLLOKOSA-N 0 0 433.107 4.254 50 0 IIAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000011359880 557228442 /nfs/dbraw/zinc/22/84/42/557228442.db2.gz PGPCBGVZTWFSSW-UHFFFAOYSA-N 0 0 431.517 4.203 50 0 IIAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N(CCc1cccs1)Cc1cccs1 ZINC000025847345 557228444 /nfs/dbraw/zinc/22/84/44/557228444.db2.gz PZLWQRLFQBOKDV-UHFFFAOYSA-N 0 0 445.610 4.026 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000025878477 557229032 /nfs/dbraw/zinc/22/90/32/557229032.db2.gz CVSGNZHZEIZGRK-SJLPKXTDSA-N 0 0 428.916 4.074 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000011612749 557229987 /nfs/dbraw/zinc/22/99/87/557229987.db2.gz OPDQCXHJJAYHIZ-QGZVFWFLSA-N 0 0 443.594 4.485 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000011612745 557230078 /nfs/dbraw/zinc/23/00/78/557230078.db2.gz YMXJXICCFOXHBT-KRWDZBQOSA-N 0 0 443.594 4.485 50 0 IIAARN COc1ccc(-c2nnc(COC(=O)c3cccnc3SCC(F)(F)F)o2)cc1 ZINC000025959266 557231028 /nfs/dbraw/zinc/23/10/28/557231028.db2.gz RXNURSMBAKXFPK-UHFFFAOYSA-N 0 0 425.388 4.152 50 0 IIAARN COc1ccccc1-n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000026017472 557232188 /nfs/dbraw/zinc/23/21/88/557232188.db2.gz DEBYBUVTTQGVAH-UHFFFAOYSA-N 0 0 445.500 4.095 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccccc3Cl)n2)cc1F ZINC000098211379 557234626 /nfs/dbraw/zinc/23/46/26/557234626.db2.gz WEVHDBYUPPLVEY-UHFFFAOYSA-N 0 0 440.862 4.323 50 0 IIAARN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000018045600 557234641 /nfs/dbraw/zinc/23/46/41/557234641.db2.gz GUVPMVVVARCLMY-UHFFFAOYSA-N 0 0 449.404 4.374 50 0 IIAARN O=C(CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000018045556 557234712 /nfs/dbraw/zinc/23/47/12/557234712.db2.gz PCAGFRVLUUWFAV-UHFFFAOYSA-N 0 0 425.838 4.066 50 0 IIAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccccc3Cl)n2)cc1OC ZINC000098212296 557235484 /nfs/dbraw/zinc/23/54/84/557235484.db2.gz KJTFCCGNIHRFAE-QGZVFWFLSA-N 0 0 427.888 4.313 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1F ZINC000098212881 557236091 /nfs/dbraw/zinc/23/60/91/557236091.db2.gz HJKBIWCUMXEPHA-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)c1 ZINC000018105523 557237201 /nfs/dbraw/zinc/23/72/01/557237201.db2.gz JUHIKHLJIPOGMR-UHFFFAOYSA-N 0 0 438.911 4.339 50 0 IIAARN COC(=O)c1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950795 557238615 /nfs/dbraw/zinc/23/86/15/557238615.db2.gz XHBSDCMOSNNMRA-UHFFFAOYSA-N 0 0 432.455 4.451 50 0 IIAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CC[C@@H](Cc1ccccc1)c1ccco1 ZINC000604405959 557239202 /nfs/dbraw/zinc/23/92/02/557239202.db2.gz UWFJQJYRTFYPSA-PTPZFQRBSA-N 0 0 444.531 4.222 50 0 biogenic IIAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CC[C@@H](Cc1ccccc1)c1ccco1 ZINC000604405958 557239341 /nfs/dbraw/zinc/23/93/41/557239341.db2.gz UWFJQJYRTFYPSA-BLOLXIMHSA-N 0 0 444.531 4.222 50 0 biogenic IIAARN CC(C)[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc2c(c1)OCCCO2 ZINC000026340799 557239399 /nfs/dbraw/zinc/23/93/99/557239399.db2.gz BQHXGHUWXUDUKP-SFHVURJKSA-N 0 0 441.475 4.262 50 0 IIAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000583649186 557240351 /nfs/dbraw/zinc/24/03/51/557240351.db2.gz JPOOBAZLBKFGPW-QFIPXVFZSA-N 0 0 430.464 4.065 50 0 IIAARN CN(C)c1cc(OCC2(O)CC(N(C)C(=O)CCC3CCC3)C2)ncc1-c1ccccc1 ZINC000583651371 557240853 /nfs/dbraw/zinc/24/08/53/557240853.db2.gz LXYKKHCFNWYRLK-UHFFFAOYSA-N 0 0 437.584 4.126 50 0 IIAARN O=C(CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1F ZINC000026456980 557241367 /nfs/dbraw/zinc/24/13/67/557241367.db2.gz MOIILWCQHXYVFN-QGZVFWFLSA-N 0 0 428.266 4.313 50 0 IIAARN CCCNc1nnc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)s1 ZINC000026618145 557245876 /nfs/dbraw/zinc/24/58/76/557245876.db2.gz JZMJLIKVSBOSGL-CYBMUJFWSA-N 0 0 433.584 4.485 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000026782592 557248860 /nfs/dbraw/zinc/24/88/60/557248860.db2.gz HALLQPRUSUVFGQ-AWEZNQCLSA-N 0 0 427.494 4.206 50 0 IIAARN O=C(CSc1ncnc2ccsc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000026960854 557252433 /nfs/dbraw/zinc/25/24/33/557252433.db2.gz VTFYSARGAPLRKA-INIZCTEOSA-N 0 0 427.551 4.308 50 0 IIAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(C)c2)c1 ZINC000101114050 557256534 /nfs/dbraw/zinc/25/65/34/557256534.db2.gz QZXOWMYFLZWEGX-NFFVHWSESA-N 0 0 428.492 4.022 50 0 IIAARN CCOc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000027097251 557257002 /nfs/dbraw/zinc/25/70/02/557257002.db2.gz WSBGPLHUVFYLHT-HNNXBMFYSA-N 0 0 442.566 4.413 50 0 IIAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000024945839 557258867 /nfs/dbraw/zinc/25/88/67/557258867.db2.gz MIOVMORWFRIDCV-UHFFFAOYSA-N 0 0 433.430 4.053 50 0 IIAARN CC[C@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000027570239 557265791 /nfs/dbraw/zinc/26/57/91/557265791.db2.gz VPABGKLVUBYRCY-ZDUSSCGKSA-N 0 0 448.894 4.469 50 0 IIAARN O=C(NC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1)c1ccncc1 ZINC000070010192 557265795 /nfs/dbraw/zinc/26/57/95/557265795.db2.gz DBTKXBZAKJZWKG-UHFFFAOYSA-N 0 0 438.531 4.119 50 0 IIAARN Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1 ZINC000027647601 557268273 /nfs/dbraw/zinc/26/82/73/557268273.db2.gz NEMLJNZWAQEOPT-UHFFFAOYSA-N 0 0 433.892 4.260 50 0 IIAARN COc1ccc(CN(Cc2csc(-c3ccsc3)n2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027653153 557268602 /nfs/dbraw/zinc/26/86/02/557268602.db2.gz BCWGJYDGSNEACL-SFHVURJKSA-N 0 0 434.608 4.070 50 0 IIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000027663948 557269966 /nfs/dbraw/zinc/26/99/66/557269966.db2.gz DIUKKTKSBHWNIH-DEOSSOPVSA-N 0 0 443.434 4.396 50 0 IIAARN COc1cccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000824286 557269996 /nfs/dbraw/zinc/26/99/96/557269996.db2.gz IKCGCMCSKYXLKR-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(C)cc(C)c4o3)n2)cc1OC ZINC000027794208 557274386 /nfs/dbraw/zinc/27/43/86/557274386.db2.gz KKJXZEWJAWRTSD-UHFFFAOYSA-N 0 0 437.477 4.198 50 0 IIAARN C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]21 ZINC000100744207 557275366 /nfs/dbraw/zinc/27/53/66/557275366.db2.gz HXYXQUQMNOCQHZ-UQIDSAAFSA-N 0 0 437.879 4.081 50 0 IIAARN Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000100915252 557278414 /nfs/dbraw/zinc/27/84/14/557278414.db2.gz UQSXXTBTHMZVBV-PZJWPPBQSA-N 0 0 446.304 4.232 50 0 IIAARN O=C(c1c[nH]c2ccccc21)[C@H](O)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000101016708 557281421 /nfs/dbraw/zinc/28/14/21/557281421.db2.gz JYSZSQQCXBFFHG-ILBGXUMGSA-N 0 0 431.561 4.337 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101391500 557283120 /nfs/dbraw/zinc/28/31/20/557283120.db2.gz YWJJUBAJRRXUNR-FQEVSTJZSA-N 0 0 445.972 4.394 50 0 IIAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000011665761 557292434 /nfs/dbraw/zinc/29/24/34/557292434.db2.gz PXWFJJUFTLDLQQ-UHFFFAOYSA-N 0 0 441.878 4.287 50 0 IIAARN COc1ccc(NCc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)nc3[nH]2)c(OC)c1 ZINC000101747853 557296913 /nfs/dbraw/zinc/29/69/13/557296913.db2.gz ZAULDRGBIRZGON-UHFFFAOYSA-N 0 0 433.512 4.011 50 0 IIAARN Cn1c(SCC(=O)N(CCc2ccccc2)Cc2cccs2)nnc1-c1ccncc1 ZINC000014069731 557297293 /nfs/dbraw/zinc/29/72/93/557297293.db2.gz RBOWPVRARJESPN-UHFFFAOYSA-N 0 0 449.605 4.302 50 0 IIAARN CCc1ccc(CNc2nn3c(nc(CNc4cccc(C(F)(F)F)c4)cc3=O)[nH]2)cc1 ZINC000101796971 557298660 /nfs/dbraw/zinc/29/86/60/557298660.db2.gz LNKYYCDDGVZLBD-UHFFFAOYSA-N 0 0 442.445 4.223 50 0 IIAARN Brc1ccc(C2=Nc3nnnn3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000100101207 557299083 /nfs/dbraw/zinc/29/90/83/557299083.db2.gz SNVLYBVJSUCMSX-HNNXBMFYSA-N 0 0 433.107 4.254 50 0 IIAARN COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccc(C(C)C)cc2)n1N ZINC000014085798 557300243 /nfs/dbraw/zinc/30/02/43/557300243.db2.gz CVGHURMVDZENNF-UHFFFAOYSA-N 0 0 426.542 4.198 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000102642009 557304553 /nfs/dbraw/zinc/30/45/53/557304553.db2.gz DRWHZGVAHJCRMD-UJUVCNOISA-N 0 0 433.504 4.269 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)cc3)CC2=O)c1 ZINC000101881352 557305402 /nfs/dbraw/zinc/30/54/02/557305402.db2.gz DHZFHBVCPAFELS-UHFFFAOYSA-N 0 0 426.476 4.089 50 0 IIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000014116485 557305950 /nfs/dbraw/zinc/30/59/50/557305950.db2.gz YTNWFWXNQBWXAR-QHCPKHFHSA-N 0 0 429.451 4.135 50 0 IIAARN O=C(CNC(=O)c1ccc(COc2ccccc2)cc1)Nc1ccccc1Br ZINC000014184554 557313969 /nfs/dbraw/zinc/31/39/69/557313969.db2.gz BLNMCXNCVHRQGT-UHFFFAOYSA-N 0 0 439.309 4.397 50 0 IIAARN CCOC(=O)c1cnn(-c2ccccc2)c1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000032765236 557315568 /nfs/dbraw/zinc/31/55/68/557315568.db2.gz UFAHHFZLEMDLOX-UHFFFAOYSA-N 0 0 433.386 4.085 50 0 IIAARN C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102272056 557317223 /nfs/dbraw/zinc/31/72/23/557317223.db2.gz JIKPEUOWUNNUBR-OTWHNJEPSA-N 0 0 432.524 4.269 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1C ZINC000102289029 557317764 /nfs/dbraw/zinc/31/77/64/557317764.db2.gz NBRJGTMIMDAWJB-OYRHEFFESA-N 0 0 440.565 4.088 50 0 IIAARN O=C(OCc1cccc(Cl)c1)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000032986809 557320613 /nfs/dbraw/zinc/32/06/13/557320613.db2.gz CYQUHYPZCSCIPY-HXUWFJFHSA-N 0 0 428.897 4.100 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c(C)c1 ZINC000033249289 557327339 /nfs/dbraw/zinc/32/73/39/557327339.db2.gz GZNXYGUUMZJKBY-UHFFFAOYSA-N 0 0 426.513 4.450 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251948 557327629 /nfs/dbraw/zinc/32/76/29/557327629.db2.gz GKLXZQZDMTWGRF-GOSISDBHSA-N 0 0 427.353 4.484 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccncc3)no2)c1C ZINC000033296920 557330442 /nfs/dbraw/zinc/33/04/42/557330442.db2.gz YVFBEMMTLOJNPK-UHFFFAOYSA-N 0 0 433.859 4.364 50 0 IIAARN O=C(Cc1cccc(F)c1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311109 557332525 /nfs/dbraw/zinc/33/25/25/557332525.db2.gz SRBIYFNPKQMEPJ-OAQYLSRUSA-N 0 0 438.543 4.312 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCC(O)CC2)[C@@H]1c1cccs1 ZINC000257173512 557338131 /nfs/dbraw/zinc/33/81/31/557338131.db2.gz PHXRWQOTPJEZHT-KKXVOBOWSA-N 0 0 426.582 4.105 50 0 IIAARN CCSCCNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CCC(C)C)c1 ZINC000023330517 557340831 /nfs/dbraw/zinc/34/08/31/557340831.db2.gz CKJYPSMMOVAMRR-UHFFFAOYSA-N 0 0 427.574 4.302 50 0 IIAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)NCCCc1ccccc1 ZINC000102529955 557341239 /nfs/dbraw/zinc/34/12/39/557341239.db2.gz HNONKHNNJYULEO-UHFFFAOYSA-N 0 0 429.495 4.432 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C(=O)C2)cc1 ZINC000102530459 557342547 /nfs/dbraw/zinc/34/25/47/557342547.db2.gz MQPIUUUPNIVWIG-UHFFFAOYSA-N 0 0 431.467 4.008 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N[C@@H](C)C(C)C)cc3)c(C)c2Br)o1 ZINC000023332545 557344881 /nfs/dbraw/zinc/34/48/81/557344881.db2.gz KXVXQGMAEZYGEN-NSHDSACASA-N 0 0 432.322 4.076 50 0 IIAARN COc1cc(CCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC ZINC000014673385 557347642 /nfs/dbraw/zinc/34/76/42/557347642.db2.gz HCZZQJRAZQOLDF-UHFFFAOYSA-N 0 0 440.565 4.436 50 0 IIAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)COCc2ccccc2)cc1 ZINC000023430331 557355146 /nfs/dbraw/zinc/35/51/46/557355146.db2.gz UPAFVGDAYJWYQF-HHHXNRCGSA-N 0 0 447.531 4.403 50 0 IIAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)COCc2ccccc2)cc1 ZINC000023430326 557355177 /nfs/dbraw/zinc/35/51/77/557355177.db2.gz UPAFVGDAYJWYQF-MHZLTWQESA-N 0 0 447.531 4.403 50 0 IIAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000023441890 557357982 /nfs/dbraw/zinc/35/79/82/557357982.db2.gz YVZSSONACCJPEE-UHFFFAOYSA-N 0 0 432.499 4.428 50 0 IIAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCc4ccc(F)cc4)c3)n2)o1 ZINC000023452264 557361508 /nfs/dbraw/zinc/36/15/08/557361508.db2.gz AEJWOXVJBUAJQU-UHFFFAOYSA-N 0 0 433.487 4.466 50 0 IIAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCCOc4ccccc4)c3)n2)o1 ZINC000023453746 557361791 /nfs/dbraw/zinc/36/17/91/557361791.db2.gz HRSJUDVUZXYLHF-UHFFFAOYSA-N 0 0 445.523 4.238 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000023497126 557364174 /nfs/dbraw/zinc/36/41/74/557364174.db2.gz OKZIHCJVZVUINQ-FQEVSTJZSA-N 0 0 447.373 4.179 50 0 IIAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc(OC)c1OC ZINC000102699466 557365283 /nfs/dbraw/zinc/36/52/83/557365283.db2.gz DQIUDRKINOHMTR-IVZQSRNASA-N 0 0 432.480 4.369 50 0 IIAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NCC(F)(F)F ZINC000023599565 557367761 /nfs/dbraw/zinc/36/77/61/557367761.db2.gz PHHBUZWFOHUJIY-ZDUSSCGKSA-N 0 0 438.450 4.292 50 0 IIAARN COc1cc(OC)c([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750343 557382546 /nfs/dbraw/zinc/38/25/46/557382546.db2.gz LXEUJDXWEIOABN-GIPWTMENSA-N 0 0 438.440 4.317 50 0 IIAARN COc1ccc(CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C2CC2)cc1 ZINC000023925551 557387338 /nfs/dbraw/zinc/38/73/38/557387338.db2.gz YQRBDMYRWGHCGA-UHFFFAOYSA-N 0 0 440.499 4.296 50 0 IIAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 ZINC000011695022 557393006 /nfs/dbraw/zinc/39/30/06/557393006.db2.gz JNDSQHHYBSKDAE-UHFFFAOYSA-N 0 0 442.518 4.037 50 0 IIAARN Cc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)c1 ZINC000024453640 557393751 /nfs/dbraw/zinc/39/37/51/557393751.db2.gz UIVOBDCWKLCPEF-UHFFFAOYSA-N 0 0 428.573 4.372 50 0 IIAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000072402943 557395663 /nfs/dbraw/zinc/39/56/63/557395663.db2.gz QTVWQBMKKDZLKJ-QGZVFWFLSA-N 0 0 429.484 4.292 50 0 IIAARN O=C(/C=C\c1ccccc1)Oc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000033424382 557396405 /nfs/dbraw/zinc/39/64/05/557396405.db2.gz WLNMAQFTXWQUKP-HMZRMUTASA-N 0 0 426.472 4.297 50 0 IIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000013945026 557397218 /nfs/dbraw/zinc/39/72/18/557397218.db2.gz NVAFRGNZHFFWOB-UHFFFAOYSA-N 0 0 448.552 4.438 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4c(F)cccc4F)n3C)oc21 ZINC000013956475 557398466 /nfs/dbraw/zinc/39/84/66/557398466.db2.gz KEKGLNNAQSYVFZ-UHFFFAOYSA-N 0 0 430.436 4.246 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)C1CCCCC1 ZINC000033462668 557399852 /nfs/dbraw/zinc/39/98/52/557399852.db2.gz HBJXRAQNSMJGBI-UHFFFAOYSA-N 0 0 444.553 4.019 50 0 IIAARN Cc1noc(C)c1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000033507888 557403050 /nfs/dbraw/zinc/40/30/50/557403050.db2.gz LMHTUZOZRZWALN-UHFFFAOYSA-N 0 0 446.912 4.053 50 0 IIAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 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Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2)cc1 ZINC000009931535 562977757 /nfs/dbraw/zinc/97/77/57/562977757.db2.gz WRKBWEUNUMXGQA-INIZCTEOSA-N 0 0 426.460 4.210 50 0 IIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)C2=O ZINC000012852742 562983245 /nfs/dbraw/zinc/98/32/45/562983245.db2.gz BWRVQOSIVWIIHG-AFMDSPMNSA-N 0 0 433.552 4.357 50 0 IIAARN CCc1cccc(NC(=O)CCCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000015943028 563019887 /nfs/dbraw/zinc/01/98/87/563019887.db2.gz HAKCWJOAYKJSFR-UHFFFAOYSA-N 0 0 429.524 4.180 50 0 IIAARN COc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440835 563024938 /nfs/dbraw/zinc/02/49/38/563024938.db2.gz VARZVSBFQFXSMO-XNMGPUDCSA-N 0 0 433.548 4.056 50 0 IIAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000058135950 563143404 /nfs/dbraw/zinc/14/34/04/563143404.db2.gz YIYQWHXXRBXVRN-QHCPKHFHSA-N 0 0 438.934 4.167 50 0 IIAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1 ZINC000058136042 563143500 /nfs/dbraw/zinc/14/35/00/563143500.db2.gz LHDGDJYQPUPVRR-XMMPIXPASA-N 0 0 434.515 4.010 50 0 IIAARN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000058660738 563145985 /nfs/dbraw/zinc/14/59/85/563145985.db2.gz ACDFWSNAQWFRRF-VWLOTQADSA-N 0 0 425.532 4.409 50 0 in-vitro IIAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](CC(C)C)c3nc4ccccc4n3C)C2)n1 ZINC000248077285 568633759 /nfs/dbraw/zinc/63/37/59/568633759.db2.gz ZMAOIWQQHPNWSP-TZIWHRDSSA-N 0 0 434.588 4.100 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccccc1Cl ZINC000000905680 568636226 /nfs/dbraw/zinc/63/62/26/568636226.db2.gz PRPTXQYAAQQLRT-UHFFFAOYSA-N 0 0 425.897 4.422 50 0 IIAARN COc1cc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc2c1OCO2 ZINC000015079417 568636683 /nfs/dbraw/zinc/63/66/83/568636683.db2.gz LUOQHRKMZJXORZ-AWEZNQCLSA-N 0 0 438.480 4.352 50 0 IIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2cccc(C)c2)n1 ZINC000025143324 568639690 /nfs/dbraw/zinc/63/96/90/568639690.db2.gz 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ZINC000001198513 568736696 /nfs/dbraw/zinc/73/66/96/568736696.db2.gz NTJRWCILUXURHK-UHFFFAOYSA-N 0 0 427.551 4.237 50 0 IIAARN O=C(NCc1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl ZINC000001205842 568737113 /nfs/dbraw/zinc/73/71/13/568737113.db2.gz CVVPFXSKJGVYHE-NDENLUEZSA-N 0 0 434.879 4.156 50 0 IIAARN Cc1cn(Cc2ncc(C(F)(F)F)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000263639684 568737424 /nfs/dbraw/zinc/73/74/24/568737424.db2.gz DJPIAWWXXAGSBL-UHFFFAOYSA-N 0 0 444.240 4.136 50 0 IIAARN CCCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000001926415 568742419 /nfs/dbraw/zinc/74/24/19/568742419.db2.gz NFBPTTULGXKTNW-UHFFFAOYSA-N 0 0 435.523 4.165 50 0 IIAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000003222499 568743112 /nfs/dbraw/zinc/74/31/12/568743112.db2.gz OWIPXPTXDMTDTJ-NRFANRHFSA-N 0 0 427.456 4.200 50 0 IIAARN O=C(OCCOc1ccc(Br)cc1)c1cccc(I)c1 ZINC000003294751 568745538 /nfs/dbraw/zinc/74/55/38/568745538.db2.gz FIYGNDBWLRUWGJ-UHFFFAOYSA-N 0 0 447.066 4.290 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000003302675 568745653 /nfs/dbraw/zinc/74/56/53/568745653.db2.gz GFVSLSLFSODIDR-UHFFFAOYSA-N 0 0 438.340 4.014 50 0 IIAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1F ZINC000003349643 568746677 /nfs/dbraw/zinc/74/66/77/568746677.db2.gz MULHVIWQJKVDOJ-UHFFFAOYSA-N 0 0 436.155 4.282 50 0 IIAARN O=c1cc(-c2ccncc2)nc(SCc2nc(-c3ccc(Br)cc3)no2)[nH]1 ZINC000044169474 568749065 /nfs/dbraw/zinc/74/90/65/568749065.db2.gz NABLIWXXGYMDQT-UHFFFAOYSA-N 0 0 442.298 4.349 50 0 IIAARN CNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003448775 568749604 /nfs/dbraw/zinc/74/96/04/568749604.db2.gz OCSIFEWXBCDDMO-UHFFFAOYSA-N 0 0 428.941 4.091 50 0 IIAARN CCOC(=O)[C@@H](NC=O)[C@H](OC(=O)CC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000003669527 568754088 /nfs/dbraw/zinc/75/40/88/568754088.db2.gz MCNNPNFQLIKQPZ-IZZNHLLZSA-N 0 0 443.499 4.151 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)(C)C)c2)C[C@@H](C)O1 ZINC000015302039 568755036 /nfs/dbraw/zinc/75/50/36/568755036.db2.gz LJTAXACFAHEUCN-IAGOWNOFSA-N 0 0 430.570 4.034 50 0 IIAARN CCN(Cc1ccccc1)c1nc(CNC(=O)[C@@H](C)n2nc(C)cc2C)nc2ccccc21 ZINC000299765302 568756230 /nfs/dbraw/zinc/75/62/30/568756230.db2.gz FCKSIBSNIVVZSH-HXUWFJFHSA-N 0 0 442.567 4.347 50 0 IIAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000299777370 568757071 /nfs/dbraw/zinc/75/70/71/568757071.db2.gz DNPAPCDGSXFBRT-QPPBQGQZSA-N 0 0 425.960 4.460 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585880 568759341 /nfs/dbraw/zinc/75/93/41/568759341.db2.gz NNKTZNPDYZFVCP-QFIPXVFZSA-N 0 0 429.476 4.151 50 0 biogenic IIAARN CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(OC(C)=O)c2)C3=O)c1 ZINC000001233026 568759903 /nfs/dbraw/zinc/75/99/03/568759903.db2.gz BCRGFCUJTAWAGJ-UHFFFAOYSA-N 0 0 430.416 4.163 50 0 IIAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000263587013 568760197 /nfs/dbraw/zinc/76/01/97/568760197.db2.gz 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CCC[C@@H](C)NC(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 ZINC000025749582 568779266 /nfs/dbraw/zinc/77/92/66/568779266.db2.gz QUERIRQHOWDAPP-QZTJIDSGSA-N 0 0 445.633 4.220 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccccc1O ZINC000001320609 568779867 /nfs/dbraw/zinc/77/98/67/568779867.db2.gz OBUNLXZYBOCNBZ-HSZRJFAPSA-N 0 0 425.843 4.192 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)ncn(-c2cccc(Cl)c2)c3=O)c1 ZINC000032104273 568781038 /nfs/dbraw/zinc/78/10/38/568781038.db2.gz OEKQCVJOFLGCNU-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN CCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1 ZINC000001396067 568785962 /nfs/dbraw/zinc/78/59/62/568785962.db2.gz NJVAQBJGDGBGTR-CQSZACIVSA-N 0 0 438.471 4.341 50 0 IIAARN COc1cc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc(OC)c1 ZINC000001397098 568786063 /nfs/dbraw/zinc/78/60/63/568786063.db2.gz VOBZPECRMOZFBB-UHFFFAOYSA-N 0 0 433.291 4.473 50 0 IIAARN COc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000001400219 568786128 /nfs/dbraw/zinc/78/61/28/568786128.db2.gz QLHUHACGSSNPPA-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN COC(=O)C[C@H](c1ccc(OC(=O)c2ccc(C)cc2)cc1)N1Cc2ccccc2C1=O ZINC000001404085 568786933 /nfs/dbraw/zinc/78/69/33/568786933.db2.gz ZRKAOJUCXILWJQ-HSZRJFAPSA-N 0 0 429.472 4.474 50 0 IIAARN COc1ccc([C@H](CNC(=O)CSc2ccc3ccccc3c2)N2CCOCC2)cc1 ZINC000015478369 568787143 /nfs/dbraw/zinc/78/71/43/568787143.db2.gz CZBMHUWABOOARC-DEOSSOPVSA-N 0 0 436.577 4.130 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c(C)c1C ZINC000084008098 568789677 /nfs/dbraw/zinc/78/96/77/568789677.db2.gz SKDHGYIFZCHEQC-SFHVURJKSA-N 0 0 442.002 4.079 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1F ZINC000015496399 568792982 /nfs/dbraw/zinc/79/29/82/568792982.db2.gz DQDNXBPJAFEYOU-LBPRGKRZSA-N 0 0 430.484 4.044 50 0 IIAARN COc1ccc(-c2cn3cc(I)ccc3n2)cc1Br ZINC000001429461 568794358 /nfs/dbraw/zinc/79/43/58/568794358.db2.gz XBJKMTSNGMKSGO-UHFFFAOYSA-N 0 0 429.055 4.377 50 0 IIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccc(O)cc4)CC3)s2)o1 ZINC000084195516 568796102 /nfs/dbraw/zinc/79/61/02/568796102.db2.gz IQFLAPSAMJTOOW-UHFFFAOYSA-N 0 0 425.510 4.216 50 0 IIAARN Cc1cccc(Cn2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2=O)c1 ZINC000084210737 568796321 /nfs/dbraw/zinc/79/63/21/568796321.db2.gz OTNZUCIDNAMKFX-FQEVSTJZSA-N 0 0 427.504 4.366 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000084240775 568796466 /nfs/dbraw/zinc/79/64/66/568796466.db2.gz OZMHOBKRKOQRIF-RBUKOAKNSA-N 0 0 440.565 4.187 50 0 IIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000084392648 568797743 /nfs/dbraw/zinc/79/77/43/568797743.db2.gz WLONAAQDTZHTNH-LJQANCHMSA-N 0 0 449.780 4.480 50 0 IIAARN NC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1 ZINC000084445837 568797881 /nfs/dbraw/zinc/79/78/81/568797881.db2.gz MUCRKECSBPJNJM-UHFFFAOYSA-N 0 0 440.503 4.474 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2ccc(F)cc2nc1C ZINC000012780431 568800718 /nfs/dbraw/zinc/80/07/18/568800718.db2.gz NVFSHTMSQIFQMI-UHFFFAOYSA-N 0 0 444.304 4.464 50 0 IIAARN CCN(Cc1ccoc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000084777593 568801153 /nfs/dbraw/zinc/80/11/53/568801153.db2.gz SYLUZWQRWLZBES-UHFFFAOYSA-N 0 0 445.585 4.382 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(Cl)c3)n2)cc1 ZINC000015670251 568802115 /nfs/dbraw/zinc/80/21/15/568802115.db2.gz VIWBVRLSRVLKNF-SFHVURJKSA-N 0 0 446.898 4.169 50 0 IIAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(N2CCCCC2)n1 ZINC000015671347 568802926 /nfs/dbraw/zinc/80/29/26/568802926.db2.gz DIUIBJQWDLIGKW-UHFFFAOYSA-N 0 0 441.532 4.459 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NCCc3ccccc3)c3ccccc23)cc1 ZINC000015680816 568806180 /nfs/dbraw/zinc/80/61/80/568806180.db2.gz QTSWIMVIFNAUFF-UHFFFAOYSA-N 0 0 446.572 4.283 50 0 IIAARN CCOc1ccc([C@H](CC(=O)Nc2nccs2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721361 568811846 /nfs/dbraw/zinc/81/18/46/568811846.db2.gz SJOYBRPWRSMXGQ-SFHVURJKSA-N 0 0 437.521 4.276 50 0 IIAARN CCOC(=O)c1c(C)oc2nc(C)nc(N3CCc4cc(OC)c(OC)cc4[C@@H]3C)c21 ZINC000015727437 568812750 /nfs/dbraw/zinc/81/27/50/568812750.db2.gz LWQHENIARLPWRS-LBPRGKRZSA-N 0 0 425.485 4.157 50 0 IIAARN Cc1nn(-c2ccccc2Cl)cc1-c1noc(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000015729712 568813664 /nfs/dbraw/zinc/81/36/64/568813664.db2.gz BERWKFITCXUVSX-UHFFFAOYSA-N 0 0 428.279 4.468 50 0 IIAARN C[C@@H]1CSc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015730807 568814232 /nfs/dbraw/zinc/81/42/32/568814232.db2.gz WRMSQWUMDGDNHO-SNVBAGLBSA-N 0 0 432.445 4.066 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1-n1cc(-c2ccncc2)cn1 ZINC000085391889 568816724 /nfs/dbraw/zinc/81/67/24/568816724.db2.gz JYNRTTGDOSRPCY-UHFFFAOYSA-N 0 0 425.370 4.480 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000001466121 568820150 /nfs/dbraw/zinc/82/01/50/568820150.db2.gz IRYZCSKRYRMEQX-UHFFFAOYSA-N 0 0 448.500 4.135 50 0 IIAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000015764203 568820916 /nfs/dbraw/zinc/82/09/16/568820916.db2.gz CNBMLRJDSGAQEH-UHFFFAOYSA-N 0 0 436.489 4.029 50 0 IIAARN COc1ccc(N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001470241 568821760 /nfs/dbraw/zinc/82/17/60/568821760.db2.gz VPDMORJVAHQNPZ-UHFFFAOYSA-N 0 0 439.533 4.421 50 0 IIAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)cc2)C3)CC1 ZINC000015779613 568824894 /nfs/dbraw/zinc/82/48/94/568824894.db2.gz ITPRZZXJYJTTPD-UHFFFAOYSA-N 0 0 449.986 4.024 50 0 IIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)Nc1ccccc1 ZINC000015783487 568826940 /nfs/dbraw/zinc/82/69/40/568826940.db2.gz DXTQJYJKELESIK-OAQYLSRUSA-N 0 0 426.501 4.390 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2c(=O)n1Cc1ccccc1 ZINC000085601837 568827187 /nfs/dbraw/zinc/82/71/87/568827187.db2.gz KVYQWJKWXULCEG-UHFFFAOYSA-N 0 0 430.851 4.109 50 0 IIAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CC=C(c2ccccc2)CC1 ZINC000015785350 568829623 /nfs/dbraw/zinc/82/96/23/568829623.db2.gz QOOYNIKYWLGZJS-UHFFFAOYSA-N 0 0 425.326 4.044 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)c2ccccc2OCC)c1C ZINC000085711536 568834893 /nfs/dbraw/zinc/83/48/93/568834893.db2.gz SZPLYGMEIBDXTE-GOSISDBHSA-N 0 0 428.529 4.028 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C ZINC000085712618 568835552 /nfs/dbraw/zinc/83/55/52/568835552.db2.gz IIWXUCXAFGZOJK-UHFFFAOYSA-N 0 0 426.538 4.199 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000085712566 568835562 /nfs/dbraw/zinc/83/55/62/568835562.db2.gz QZHQDOAALDETJA-UHFFFAOYSA-N 0 0 448.585 4.340 50 0 IIAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786515 568836341 /nfs/dbraw/zinc/83/63/41/568836341.db2.gz BOFADMFTLFECIH-UHFFFAOYSA-N 0 0 434.540 4.468 50 0 IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cnn(C(C)C)c2)cc1 ZINC000085877295 568838601 /nfs/dbraw/zinc/83/86/01/568838601.db2.gz DPYAYPBFEDFWGW-QGZVFWFLSA-N 0 0 446.459 4.393 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085879688 568839146 /nfs/dbraw/zinc/83/91/46/568839146.db2.gz HBHDJQWPQBCLBH-QGZVFWFLSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000012858157 568840575 /nfs/dbraw/zinc/84/05/75/568840575.db2.gz ZWTWXJZUUOVCIG-GRYUFTJMSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN CCCc1cc(=O)[nH]c(SCc2ccccc2CSc2nc(CCC)cc(=O)[nH]2)n1 ZINC000006143389 568845716 /nfs/dbraw/zinc/84/57/16/568845716.db2.gz HPGAGODBAONNNL-UHFFFAOYSA-N 0 0 442.610 4.343 50 0 IIAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858416 568846606 /nfs/dbraw/zinc/84/66/06/568846606.db2.gz OQXUVDRTVPXNTJ-CQSZACIVSA-N 0 0 434.945 4.337 50 0 IIAARN Cc1cccc(CNC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)c1 ZINC000015863288 568849271 /nfs/dbraw/zinc/84/92/71/568849271.db2.gz SILSPIWKVLCVED-UHFFFAOYSA-N 0 0 445.567 4.023 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Br)s1)CC(=O)N2 ZINC000015868324 568851328 /nfs/dbraw/zinc/85/13/28/568851328.db2.gz WYDVVASDXIFCEU-SNVBAGLBSA-N 0 0 428.315 4.355 50 0 IIAARN CCC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015869996 568851500 /nfs/dbraw/zinc/85/15/00/568851500.db2.gz ILYWULVDIKOJEM-UHFFFAOYSA-N 0 0 429.445 4.464 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000015882817 568857394 /nfs/dbraw/zinc/85/73/94/568857394.db2.gz GOSBXGHMRKDECW-UHFFFAOYSA-N 0 0 429.398 4.126 50 0 IIAARN CCCCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000015969463 568861430 /nfs/dbraw/zinc/86/14/30/568861430.db2.gz GFTFTGYDHODKAX-QVKFZJNVSA-N 0 0 430.508 4.152 50 0 IIAARN COc1ccc([C@H](CNC(=O)C2c3ccccc3Oc3ccccc32)N2CCOCC2)cc1 ZINC000015996550 568862093 /nfs/dbraw/zinc/86/20/93/568862093.db2.gz JAHLRENYQGDLMJ-QHCPKHFHSA-N 0 0 444.531 4.123 50 0 IIAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O)NCc1cccs1 ZINC000012936272 568865257 /nfs/dbraw/zinc/86/52/57/568865257.db2.gz LTLHMKPDCWRSGY-UHFFFAOYSA-N 0 0 425.437 4.481 50 0 IIAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3[nH]cnc3c2)c2ccccc21 ZINC000575442976 568868062 /nfs/dbraw/zinc/86/80/62/568868062.db2.gz BKUXWMYYQBGWQG-HXUWFJFHSA-N 0 0 433.512 4.129 50 0 IIAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000016047475 568868926 /nfs/dbraw/zinc/86/89/26/568868926.db2.gz ZEOHXZKMCSUPRU-UHFFFAOYSA-N 0 0 444.900 4.393 50 0 IIAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1I ZINC000012941269 568869934 /nfs/dbraw/zinc/86/99/34/568869934.db2.gz ICVRKNZXYDHHAD-JTQLQIEISA-N 0 0 439.224 4.138 50 0 IIAARN COc1ccc(-c2nnn(CC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)n2)cc1OC ZINC000012943087 568870247 /nfs/dbraw/zinc/87/02/47/568870247.db2.gz XJKXDYLZDWAQQU-KRWDZBQOSA-N 0 0 445.523 4.268 50 0 IIAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC000012944903 568870549 /nfs/dbraw/zinc/87/05/49/568870549.db2.gz YUGLBIHNVIJNNK-UHFFFAOYSA-N 0 0 427.957 4.260 50 0 IIAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000026437867 568877485 /nfs/dbraw/zinc/87/74/85/568877485.db2.gz UNHPFHMIXCAQOH-LJQANCHMSA-N 0 0 435.549 4.121 50 0 IIAARN CN1c2cc(F)c(NC(=O)CC(c3ccccc3)c3ccccc3)cc2N(C)S1(=O)=O ZINC000575611647 568879166 /nfs/dbraw/zinc/87/91/66/568879166.db2.gz HFPCESGBXYBYJZ-UHFFFAOYSA-N 0 0 439.512 4.117 50 0 IIAARN O=C(c1ccccc1SC(F)F)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575619097 568882792 /nfs/dbraw/zinc/88/27/92/568882792.db2.gz ZYIYEASYGOQMQN-QGZVFWFLSA-N 0 0 429.485 4.142 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1C ZINC000009794085 568884340 /nfs/dbraw/zinc/88/43/40/568884340.db2.gz WHHMCUIBFHFKHP-MRXNPFEDSA-N 0 0 427.549 4.377 50 0 IIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@@H]1C=C[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000037341876 568884813 /nfs/dbraw/zinc/88/48/13/568884813.db2.gz SPUWELVAWZVXDJ-IECBHUPTSA-N 0 0 437.536 4.342 50 0 IIAARN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(Cl)c(Cl)c1 ZINC000012973983 568889659 /nfs/dbraw/zinc/88/96/59/568889659.db2.gz HYGSFEGAVYWJPM-UHFFFAOYSA-N 0 0 426.369 4.103 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)CC2=O)cc1 ZINC000090607141 568889794 /nfs/dbraw/zinc/88/97/94/568889794.db2.gz RBHQEIXASHAAKQ-HXUWFJFHSA-N 0 0 443.551 4.038 50 0 IIAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CSc2ccccn2)CC1 ZINC000090608074 568891030 /nfs/dbraw/zinc/89/10/30/568891030.db2.gz SLPKZVXYUDAZCQ-UHFFFAOYSA-N 0 0 432.489 4.173 50 0 IIAARN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012978957 568891778 /nfs/dbraw/zinc/89/17/78/568891778.db2.gz MXJLZDKICWHIEE-UHFFFAOYSA-N 0 0 426.582 4.338 50 0 IIAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCc4sccc4C3)nc2n1 ZINC000012978305 568891892 /nfs/dbraw/zinc/89/18/92/568891892.db2.gz GDGIHBMNENKNSC-UHFFFAOYSA-N 0 0 435.578 4.293 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C/c2cccs2)c1 ZINC000015962173 568894149 /nfs/dbraw/zinc/89/41/49/568894149.db2.gz PPWDHLPPFJXEJQ-FMIVXFBMSA-N 0 0 433.599 4.031 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1OC ZINC000012987155 568894976 /nfs/dbraw/zinc/89/49/76/568894976.db2.gz UDRXIXHIBMKLQF-FQEVSTJZSA-N 0 0 435.524 4.425 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)cc1 ZINC000012998919 568897891 /nfs/dbraw/zinc/89/78/91/568897891.db2.gz GBCYPNAHMQYXBR-UHFFFAOYSA-N 0 0 428.458 4.158 50 0 IIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)c12 ZINC000012998867 568897910 /nfs/dbraw/zinc/89/79/10/568897910.db2.gz QBGRSBLZIVKHAW-UHFFFAOYSA-N 0 0 426.590 4.341 50 0 IIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3ccc(C(F)(F)F)cc3)s1)CS2 ZINC000013001252 568898910 /nfs/dbraw/zinc/89/89/10/568898910.db2.gz QKIDOUJZTQEGAN-KBXCAEBGSA-N 0 0 441.500 4.145 50 0 IIAARN CSCC[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000013004248 568898981 /nfs/dbraw/zinc/89/89/81/568898981.db2.gz XXOUFOSNBPATMJ-VLXHFBQYSA-N 0 0 446.657 4.004 50 0 IIAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000013005006 568899036 /nfs/dbraw/zinc/89/90/36/568899036.db2.gz OPVPMOVCCSURMQ-UHFFFAOYSA-N 0 0 437.487 4.340 50 0 IIAARN COC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1 ZINC000013018314 568901828 /nfs/dbraw/zinc/90/18/28/568901828.db2.gz JUCPDAWFQBFLMU-UHFFFAOYSA-N 0 0 433.439 4.396 50 0 IIAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239275138 568910955 /nfs/dbraw/zinc/91/09/55/568910955.db2.gz BFWHVTSVWUKBED-VSKRKVRLSA-N 0 0 434.879 4.400 50 0 IIAARN C[C@H](OC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000240668025 568911870 /nfs/dbraw/zinc/91/18/70/568911870.db2.gz HLYQJNFNJRUQHT-LVCYWYKZSA-N 0 0 432.524 4.175 50 0 IIAARN Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312354 568914812 /nfs/dbraw/zinc/91/48/12/568914812.db2.gz URXXWCUIYWGBRM-LIKDZFNVSA-N 0 0 436.552 4.339 50 0 IIAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2C(=O)CSc3ccccc32)cc1 ZINC000026794780 568916820 /nfs/dbraw/zinc/91/68/20/568916820.db2.gz KPVQXKPXAIOAJB-UHFFFAOYSA-N 0 0 434.565 4.306 50 0 IIAARN C[C@H]1CN(CCC(=O)N[C@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000252448917 568919666 /nfs/dbraw/zinc/91/96/66/568919666.db2.gz WTQODOYCKGEZHN-ORAYPTAESA-N 0 0 427.854 4.128 50 0 IIAARN COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000089365266 568921186 /nfs/dbraw/zinc/92/11/86/568921186.db2.gz KMDPOINOBDVSKE-UHFFFAOYSA-N 0 0 431.897 4.393 50 0 IIAARN CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555153 568921492 /nfs/dbraw/zinc/92/14/92/568921492.db2.gz SLDYSAHONQIGAJ-UHFFFAOYSA-N 0 0 428.492 4.176 50 0 IIAARN Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000252486244 568923219 /nfs/dbraw/zinc/92/32/19/568923219.db2.gz HBENWVGAJHXQRW-NEWJYFPISA-N 0 0 442.563 4.199 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@H](C)C(=O)Nc3ccccc3)c(=O)c12 ZINC000001980392 568924166 /nfs/dbraw/zinc/92/41/66/568924166.db2.gz KPGQCVADUXQAOD-OAHLLOKOSA-N 0 0 432.505 4.218 50 0 IIAARN Cc1ccc(C)c(Nc2nc(N=NCc3ccccc3Cl)nc(N3CCOCC3)n2)c1 ZINC000252588576 568925134 /nfs/dbraw/zinc/92/51/34/568925134.db2.gz ACTGDSUNNPOPIF-UHFFFAOYSA-N 0 0 437.935 4.168 50 0 IIAARN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)Nc2cccc(C)c2C)cc1 ZINC000016610319 568925636 /nfs/dbraw/zinc/92/56/36/568925636.db2.gz RLGDQITWFQUEDN-HXUWFJFHSA-N 0 0 438.553 4.255 50 0 IIAARN CCc1ccccc1NC(=O)Nc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC)cc1 ZINC000016610324 568925736 /nfs/dbraw/zinc/92/57/36/568925736.db2.gz SDONMDLNMOUETQ-HXUWFJFHSA-N 0 0 438.553 4.201 50 0 IIAARN CC(C)COC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740374 568926945 /nfs/dbraw/zinc/92/69/45/568926945.db2.gz SBIIPIYVHGZREK-SSKFGXFMSA-N 0 0 430.526 4.023 50 0 biogenic IIAARN COc1cccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccncc3)no2)c1 ZINC000064438839 568928080 /nfs/dbraw/zinc/92/80/80/568928080.db2.gz WBIAUKRTKUXERG-UHFFFAOYSA-N 0 0 449.517 4.193 50 0 IIAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)COc1ccccc1 ZINC000016650339 568929459 /nfs/dbraw/zinc/92/94/59/568929459.db2.gz NLYUSNLQTCIZEM-UHFFFAOYSA-N 0 0 434.536 4.434 50 0 IIAARN CCCCCCc1ccc(C(=O)N(CCOC)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000016653870 568929617 /nfs/dbraw/zinc/92/96/17/568929617.db2.gz XPMVQBPPBBNARF-UHFFFAOYSA-N 0 0 447.597 4.437 50 0 IIAARN Cc1ccc(C)c(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1 ZINC000064566128 568932956 /nfs/dbraw/zinc/93/29/56/568932956.db2.gz UUXONYRKXVYUHI-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C3CCCCC3)CC2)cc1C(=O)[O-] ZINC000064590160 568935260 /nfs/dbraw/zinc/93/52/60/568935260.db2.gz FPAAJHJIDSQEMO-UHFFFAOYSA-N 0 0 437.540 4.100 50 0 IIAARN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3sc4ccccc4c3C[S@@](C)=O)c2)n1 ZINC000089568367 568937844 /nfs/dbraw/zinc/93/78/44/568937844.db2.gz HRIVIAKBYAWTFY-PMERELPUSA-N 0 0 437.546 4.091 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@H](C)C(=O)Nc2cc(C)ccc2C)c1=O ZINC000064605051 568939060 /nfs/dbraw/zinc/93/90/60/568939060.db2.gz NRLNGNXMDFZNHM-OAHLLOKOSA-N 0 0 438.915 4.339 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)n2)cc1 ZINC000064605159 568939064 /nfs/dbraw/zinc/93/90/64/568939064.db2.gz GNTQRMHGEDHCTG-UHFFFAOYSA-N 0 0 438.487 4.110 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O ZINC000064605210 568939088 /nfs/dbraw/zinc/93/90/88/568939088.db2.gz CFOSWEZDMXJXRN-UHFFFAOYSA-N 0 0 438.915 4.105 50 0 IIAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000064605243 568939502 /nfs/dbraw/zinc/93/95/02/568939502.db2.gz BFAQTOANYLIOOI-UHFFFAOYSA-N 0 0 432.524 4.267 50 0 IIAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000064611170 568940012 /nfs/dbraw/zinc/94/00/12/568940012.db2.gz PONITFDIDGCWBY-HXUWFJFHSA-N 0 0 428.492 4.216 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)c(C)c1 ZINC000064611389 568940241 /nfs/dbraw/zinc/94/02/41/568940241.db2.gz MWFVTFSOGGYSEJ-HFZDXXHNSA-N 0 0 433.596 4.093 50 0 IIAARN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(Br)cc1Br ZINC000054362968 568940758 /nfs/dbraw/zinc/94/07/58/568940758.db2.gz HOYPAHGNUGQUHX-NOZJJQNGSA-N 0 0 425.186 4.377 50 0 IIAARN COc1ccccc1NC(=O)COc1ccc(C(=O)NC2CCCCCC2)cc1OC ZINC000006638288 568942295 /nfs/dbraw/zinc/94/22/95/568942295.db2.gz CVSREQTYKMVORC-UHFFFAOYSA-N 0 0 426.513 4.174 50 0 IIAARN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000006641452 568943657 /nfs/dbraw/zinc/94/36/57/568943657.db2.gz ITSCQCNNKPDZBV-WPWBMXPQSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN COCCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2Cl)n1 ZINC000036064253 568944804 /nfs/dbraw/zinc/94/48/04/568944804.db2.gz JXZVFVUOKRIGMB-UHFFFAOYSA-N 0 0 431.895 4.046 50 0 IIAARN CC(C)(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)N3CCOCC3)c2)n1 ZINC000036065146 568944825 /nfs/dbraw/zinc/94/48/25/568944825.db2.gz CRTXWKDNIQPGRJ-UHFFFAOYSA-N 0 0 440.613 4.139 50 0 IIAARN CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(OC)c2)n1 ZINC000036065716 568945063 /nfs/dbraw/zinc/94/50/63/568945063.db2.gz CFVFDLWODKAKKX-UHFFFAOYSA-N 0 0 432.524 4.159 50 0 IIAARN CCCNC(=O)c1ccc(Nc2c(Oc3ccc(Cl)c(C)c3)cnn(C)c2=O)cc1 ZINC000036073249 568945697 /nfs/dbraw/zinc/94/56/97/568945697.db2.gz PJNDSSZEIKNAOV-UHFFFAOYSA-N 0 0 426.904 4.418 50 0 IIAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)Cc1cccc(F)c1 ZINC000036073504 568945933 /nfs/dbraw/zinc/94/59/33/568945933.db2.gz DOTGBZJPBVZHTF-AVRDEDQJSA-N 0 0 437.515 4.486 50 0 IIAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(OC)cc1OC ZINC000036082581 568946842 /nfs/dbraw/zinc/94/68/42/568946842.db2.gz ZQCNRNWMPVLVKG-GOSISDBHSA-N 0 0 437.540 4.423 50 0 IIAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082696 568946850 /nfs/dbraw/zinc/94/68/50/568946850.db2.gz YTATWRSXCCSBLY-UHFFFAOYSA-N 0 0 430.430 4.183 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083492 568947214 /nfs/dbraw/zinc/94/72/14/568947214.db2.gz QTUUFGDWBKIZKJ-QHCPKHFHSA-N 0 0 438.524 4.411 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083682 568947402 /nfs/dbraw/zinc/94/74/02/568947402.db2.gz SBYGJLUIIPPEJO-IBGZPJMESA-N 0 0 436.842 4.211 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)c1 ZINC000064746591 568949691 /nfs/dbraw/zinc/94/96/91/568949691.db2.gz JWOCBBWKQKDXKA-UHFFFAOYSA-N 0 0 436.512 4.064 50 0 IIAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)NCc1ccc(F)cc1 ZINC000064746968 568950187 /nfs/dbraw/zinc/95/01/87/568950187.db2.gz KKZVOTUJHQAHGE-UHFFFAOYSA-N 0 0 444.491 4.129 50 0 IIAARN CCC(=O)Nc1ccc(N(C)C)c(CN(CCOC)C(=O)[C@H](CC)c2ccccc2)c1 ZINC000006695459 568952449 /nfs/dbraw/zinc/95/24/49/568952449.db2.gz BJHUZHQZIGOOBU-JOCHJYFZSA-N 0 0 425.573 4.270 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O ZINC000064775508 568954699 /nfs/dbraw/zinc/95/46/99/568954699.db2.gz IHQDSRDIYCRMNU-LLVKDONJSA-N 0 0 432.354 4.032 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)C(C)C ZINC000036117403 568955777 /nfs/dbraw/zinc/95/57/77/568955777.db2.gz MPAJBBLQYCTOJU-NRFANRHFSA-N 0 0 444.597 4.156 50 0 IIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C1CC1 ZINC000036119494 568956112 /nfs/dbraw/zinc/95/61/12/568956112.db2.gz VRTMSJWRDVNJND-NRFANRHFSA-N 0 0 426.582 4.290 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036119187 568956122 /nfs/dbraw/zinc/95/61/22/568956122.db2.gz XESVKTQDACWFTQ-NRFANRHFSA-N 0 0 426.582 4.128 50 0 IIAARN CCc1ccccc1NC(=O)c1cnc2scc(-c3cc(OC)ccc3OC)n2c1=O ZINC000064788051 568956443 /nfs/dbraw/zinc/95/64/43/568956443.db2.gz AVMLVSZFWHIIKF-UHFFFAOYSA-N 0 0 435.505 4.255 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4c(C)cccc4C)c(=O)n23)c1 ZINC000064788047 568956474 /nfs/dbraw/zinc/95/64/74/568956474.db2.gz ZORZAJGQBMHKLK-UHFFFAOYSA-N 0 0 435.505 4.309 50 0 IIAARN Cc1ccc2cc(-c3noc(CCC(=O)N[C@H](C)c4ccc(Cl)cc4)n3)c(=O)[nH]c2c1 ZINC000064789919 568957208 /nfs/dbraw/zinc/95/72/08/568957208.db2.gz FZVYILQRAGPTSL-CQSZACIVSA-N 0 0 436.899 4.350 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)CC(C)C ZINC000036120918 568957746 /nfs/dbraw/zinc/95/77/46/568957746.db2.gz DJRJNOZZJPGDPX-HXUWFJFHSA-N 0 0 432.561 4.287 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)[C@H](C)CC ZINC000036122656 568958146 /nfs/dbraw/zinc/95/81/46/568958146.db2.gz CWXKIXIYJNWZAP-XLIONFOSSA-N 0 0 429.586 4.083 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122692 568958298 /nfs/dbraw/zinc/95/82/98/568958298.db2.gz XSSHKMWUMMLJFG-FQEVSTJZSA-N 0 0 429.586 4.083 50 0 IIAARN CCNC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036122735 568958340 /nfs/dbraw/zinc/95/83/40/568958340.db2.gz FBLULHCRWJKSLK-OAQYLSRUSA-N 0 0 443.613 4.331 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C ZINC000036122813 568958390 /nfs/dbraw/zinc/95/83/90/568958390.db2.gz ZWQNYKNSMWVKRF-OAQYLSRUSA-N 0 0 443.613 4.391 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)(C)C ZINC000036122864 568958546 /nfs/dbraw/zinc/95/85/46/568958546.db2.gz HDFSGJPZLSEUEC-FQEVSTJZSA-N 0 0 443.613 4.391 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)CC(C)C ZINC000036123851 568958648 /nfs/dbraw/zinc/95/86/48/568958648.db2.gz ZXPFSYVRBROALM-FQEVSTJZSA-N 0 0 443.613 4.249 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)N3CCC(C)CC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791574 568958974 /nfs/dbraw/zinc/95/89/74/568958974.db2.gz HNDVRHUYXKIIFK-UHFFFAOYSA-N 0 0 427.512 4.110 50 0 IIAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(F)c3)c3nnnn32)cc1 ZINC000064793195 568959543 /nfs/dbraw/zinc/95/95/43/568959543.db2.gz URZHQSYILXNQLM-HSZRJFAPSA-N 0 0 440.482 4.210 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccc(C)cc3)C=C2c2ccccc2)cc1 ZINC000064793129 568959620 /nfs/dbraw/zinc/95/96/20/568959620.db2.gz NXWVBBCVKRYBSC-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN C[C@H]1CCCCN1C(=O)CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000064793542 568959803 /nfs/dbraw/zinc/95/98/03/568959803.db2.gz KOAJOQIYCMUOBY-JTSKRJEESA-N 0 0 448.958 4.178 50 0 IIAARN CC1CCN(C(=O)CN2c3nnnn3[C@H](c3ccc(Cl)cc3)C=C2c2ccccc2)CC1 ZINC000064793550 568959821 /nfs/dbraw/zinc/95/98/21/568959821.db2.gz KDLBHZADOSHYDU-QFIPXVFZSA-N 0 0 448.958 4.036 50 0 IIAARN COCCn1c(SCc2cc(F)cc(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794321 568959859 /nfs/dbraw/zinc/95/98/59/568959859.db2.gz VDUWDQDRKLHIGX-UHFFFAOYSA-N 0 0 433.509 4.354 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC ZINC000064798384 568960385 /nfs/dbraw/zinc/96/03/85/568960385.db2.gz ISAKNHSYFYHGPW-MRXNPFEDSA-N 0 0 443.546 4.381 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1O ZINC000064798534 568960563 /nfs/dbraw/zinc/96/05/63/568960563.db2.gz GGOXMHCKUDDKFE-HNNXBMFYSA-N 0 0 429.519 4.078 50 0 IIAARN COc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)c1OC ZINC000064799327 568960740 /nfs/dbraw/zinc/96/07/40/568960740.db2.gz IQUIPNGENVQXAK-MRXNPFEDSA-N 0 0 443.546 4.381 50 0 IIAARN CC(C)NC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000006712347 568960936 /nfs/dbraw/zinc/96/09/36/568960936.db2.gz JVDZEUUKPLXZDK-FQEVSTJZSA-N 0 0 432.609 4.226 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1 ZINC000064800838 568961288 /nfs/dbraw/zinc/96/12/88/568961288.db2.gz ATMGLTDPYHWSNZ-UHFFFAOYSA-N 0 0 433.512 4.398 50 0 IIAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(N2CCOCC2)n1 ZINC000064801583 568961472 /nfs/dbraw/zinc/96/14/72/568961472.db2.gz UBGRYMYHYHPVFB-UHFFFAOYSA-N 0 0 436.491 4.457 50 0 IIAARN COc1cccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000036152445 568963485 /nfs/dbraw/zinc/96/34/85/568963485.db2.gz YJXUEWPWLRKJIL-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036152488 568963504 /nfs/dbraw/zinc/96/35/04/568963504.db2.gz AYYZQWJNRDCFGG-VWLOTQADSA-N 0 0 430.529 4.284 50 0 IIAARN O=C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)N[C@H]1CCCc2ccccc21 ZINC000064814494 568963975 /nfs/dbraw/zinc/96/39/75/568963975.db2.gz HGEWTEYDBKXLSA-HNNXBMFYSA-N 0 0 431.414 4.020 50 0 IIAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C)cc5)C4)CC3)n2)cc1 ZINC000064818205 568966302 /nfs/dbraw/zinc/96/63/02/568966302.db2.gz NIGBEQPPRHDWJE-NRFANRHFSA-N 0 0 444.535 4.113 50 0 IIAARN O=C(C1CCCC1)N1CCS[C@@]12c1cc(F)ccc1N(Cc1cccc(F)c1)C2=O ZINC000036165368 568968187 /nfs/dbraw/zinc/96/81/87/568968187.db2.gz GRASKEXRFRQAEL-HSZRJFAPSA-N 0 0 428.504 4.430 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(C)=O)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000036166468 568968547 /nfs/dbraw/zinc/96/85/47/568968547.db2.gz NBTNZFGYTQHZHX-FQEVSTJZSA-N 0 0 436.455 4.009 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(C)=O)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000036166466 568968566 /nfs/dbraw/zinc/96/85/66/568968566.db2.gz NBTNZFGYTQHZHX-HXUWFJFHSA-N 0 0 436.455 4.009 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064835609 568968963 /nfs/dbraw/zinc/96/89/63/568968963.db2.gz SPVBRFFKSMBUEO-UHFFFAOYSA-N 0 0 445.972 4.118 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000064835635 568968994 /nfs/dbraw/zinc/96/89/94/568968994.db2.gz GUMBFURWQMZDFL-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN COc1cc(OC)c(NC(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)cc1Cl ZINC000064839864 568969715 /nfs/dbraw/zinc/96/97/15/568969715.db2.gz PSVINQVHQLBBQL-UHFFFAOYSA-N 0 0 430.892 4.422 50 0 IIAARN COc1ccc(-c2nn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842747 568970937 /nfs/dbraw/zinc/97/09/37/568970937.db2.gz GCUKKHSPUUMATC-MRXNPFEDSA-N 0 0 446.507 4.493 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842628 568971066 /nfs/dbraw/zinc/97/10/66/568971066.db2.gz OLFYGIWKSKGGNL-GOSISDBHSA-N 0 0 436.443 4.097 50 0 IIAARN CCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC ZINC000036208055 568973216 /nfs/dbraw/zinc/97/32/16/568973216.db2.gz SQHYCUBZYNEFJH-LDKWEEINSA-N 0 0 444.616 4.349 50 0 IIAARN CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208309 568973371 /nfs/dbraw/zinc/97/33/71/568973371.db2.gz LWCDBGYGTHFKRF-FQEVSTJZSA-N 0 0 427.545 4.180 50 0 IIAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862224 568974124 /nfs/dbraw/zinc/97/41/24/568974124.db2.gz GGHMMBDTMRXGJY-UHFFFAOYSA-N 0 0 441.553 4.095 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000064866546 568974630 /nfs/dbraw/zinc/97/46/30/568974630.db2.gz MGZWHPBCMNKEIF-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N(C)c1ccc(C)cc1 ZINC000064866993 568974816 /nfs/dbraw/zinc/97/48/16/568974816.db2.gz XFSDKCICQREOSW-UHFFFAOYSA-N 0 0 442.537 4.102 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)cc1OC ZINC000064868384 568975515 /nfs/dbraw/zinc/97/55/15/568975515.db2.gz IYBCHYOVVPIXFD-UHFFFAOYSA-N 0 0 444.578 4.191 50 0 IIAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)NCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869658 568976334 /nfs/dbraw/zinc/97/63/34/568976334.db2.gz GANQYIBALRKLRE-HNNXBMFYSA-N 0 0 439.537 4.036 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)NCc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869763 568976580 /nfs/dbraw/zinc/97/65/80/568976580.db2.gz HELGZVGTQJYGCO-UHFFFAOYSA-N 0 0 427.501 4.168 50 0 IIAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1cc(F)ccc1F ZINC000064888075 568979301 /nfs/dbraw/zinc/97/93/01/568979301.db2.gz FZYJFJBEGWNSHW-UHFFFAOYSA-N 0 0 431.439 4.099 50 0 IIAARN CC(C)n1c(=O)[nH]c2cc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21 ZINC000064891114 568981186 /nfs/dbraw/zinc/98/11/86/568981186.db2.gz BKBCMTRLNRNBHE-AWEZNQCLSA-N 0 0 437.887 4.134 50 0 IIAARN CC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1 ZINC000064890521 568981372 /nfs/dbraw/zinc/98/13/72/568981372.db2.gz JIMKRRJOESEGKG-UHFFFAOYSA-N 0 0 429.480 4.495 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)c2cccc(C)c2)cc1 ZINC000036247521 568982336 /nfs/dbraw/zinc/98/23/36/568982336.db2.gz SOGNXHQOTWELLH-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)NC(C)C ZINC000006771752 568982427 /nfs/dbraw/zinc/98/24/27/568982427.db2.gz KOSWMYJAOMCQAB-QFIPXVFZSA-N 0 0 430.980 4.149 50 0 IIAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036252428 568984252 /nfs/dbraw/zinc/98/42/52/568984252.db2.gz WTFVHCFUCHMJLU-CLJLJLNGSA-N 0 0 445.607 4.197 50 0 IIAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036252424 568984301 /nfs/dbraw/zinc/98/43/01/568984301.db2.gz WTFVHCFUCHMJLU-FTJBHMTQSA-N 0 0 445.607 4.197 50 0 IIAARN CC(C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036251495 568984571 /nfs/dbraw/zinc/98/45/71/568984571.db2.gz OXYLYHYNBXJJMX-FQEVSTJZSA-N 0 0 440.415 4.082 50 0 IIAARN O=S(=O)(c1ccc(-c2nnc(C3CC3)o2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000064920263 568985411 /nfs/dbraw/zinc/98/54/11/568985411.db2.gz HHRHATYFWQWBEB-UHFFFAOYSA-N 0 0 429.567 4.319 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927563 568986607 /nfs/dbraw/zinc/98/66/07/568986607.db2.gz LRGRBZMKOCYVNW-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(CC)cc4)n3)C2)cc1 ZINC000064928322 568987427 /nfs/dbraw/zinc/98/74/27/568987427.db2.gz QHYYGIYGCATPSC-NRFANRHFSA-N 0 0 430.552 4.212 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928518 568987634 /nfs/dbraw/zinc/98/76/34/568987634.db2.gz ZBBODBMWKMBQLN-INIZCTEOSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1C ZINC000064928821 568987816 /nfs/dbraw/zinc/98/78/16/568987816.db2.gz MCPQJPFZNDNEDQ-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930209 568987913 /nfs/dbraw/zinc/98/79/13/568987913.db2.gz XQYSHPWTFYYQIL-OAHLLOKOSA-N 0 0 432.958 4.412 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930154 568988504 /nfs/dbraw/zinc/98/85/04/568988504.db2.gz SPARAUZOYMBKOS-QGZVFWFLSA-N 0 0 442.928 4.430 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064930503 568988906 /nfs/dbraw/zinc/98/89/06/568988906.db2.gz LTXKKLUNICJTJU-KRWDZBQOSA-N 0 0 441.488 4.307 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930817 568989315 /nfs/dbraw/zinc/98/93/15/568989315.db2.gz TZGSPSQEGCSAIX-INIZCTEOSA-N 0 0 429.452 4.438 50 0 IIAARN CCc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)cc1 ZINC000064942714 568992230 /nfs/dbraw/zinc/99/22/30/568992230.db2.gz GYXHUOIXRFZFNK-UHFFFAOYSA-N 0 0 445.338 4.492 50 0 IIAARN CCOc1ccccc1NC(=O)Cn1c(C)ccc(NC(=O)Nc2ccc(C)cc2)c1=O ZINC000169681255 568992921 /nfs/dbraw/zinc/99/29/21/568992921.db2.gz BDFSIQFNWDCKAU-UHFFFAOYSA-N 0 0 434.496 4.147 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cn1c(C)ccc(NC(=O)Nc2ccc(C)cc2)c1=O ZINC000169681243 568992986 /nfs/dbraw/zinc/99/29/86/568992986.db2.gz SKOZCPCCWGFECH-UHFFFAOYSA-N 0 0 434.496 4.065 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000064944372 568993311 /nfs/dbraw/zinc/99/33/11/568993311.db2.gz ORBDXWCITSVLNO-CYBMUJFWSA-N 0 0 441.582 4.256 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](C)O ZINC000036304036 568994342 /nfs/dbraw/zinc/99/43/42/568994342.db2.gz ZGCFJUZAALEBDM-INIZCTEOSA-N 0 0 431.483 4.080 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3n3cnnc23)ccc1Br ZINC000064948879 568994482 /nfs/dbraw/zinc/99/44/82/568994482.db2.gz BVOPJPKXOMDEGP-UHFFFAOYSA-N 0 0 428.315 4.079 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1Cl)CC(C)C ZINC000006800998 568994673 /nfs/dbraw/zinc/99/46/73/568994673.db2.gz IXKFUTJTJCJPLM-QFIPXVFZSA-N 0 0 430.980 4.151 50 0 IIAARN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000006802063 568995399 /nfs/dbraw/zinc/99/53/99/568995399.db2.gz UJDHUCZEQRAOKM-HXUWFJFHSA-N 0 0 428.602 4.086 50 0 IIAARN C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000036310442 568996595 /nfs/dbraw/zinc/99/65/95/568996595.db2.gz UILXMGNRIVPOCE-HYBUGGRVSA-N 0 0 434.584 4.272 50 0 IIAARN C[C@H](NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000036310444 568996642 /nfs/dbraw/zinc/99/66/42/568996642.db2.gz UILXMGNRIVPOCE-RDPSFJRHSA-N 0 0 434.584 4.272 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc21 ZINC000064952078 568997256 /nfs/dbraw/zinc/99/72/56/568997256.db2.gz GLCZTODFIWXEKB-UHFFFAOYSA-N 0 0 444.622 4.179 50 0 IIAARN CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C(C)C ZINC000036312288 568997615 /nfs/dbraw/zinc/99/76/15/568997615.db2.gz FRWCWSIYSIKJBF-UHFFFAOYSA-N 0 0 430.568 4.263 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(C)c(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959222 568999661 /nfs/dbraw/zinc/99/96/61/568999661.db2.gz IARACSZUJFOVFI-KRWDZBQOSA-N 0 0 446.503 4.174 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(F)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970995 569076466 /nfs/dbraw/zinc/07/64/66/569076466.db2.gz QILQPQUIMNXNDR-HXUWFJFHSA-N 0 0 433.487 4.236 50 0 IIAARN O=C(c1ccccc1)N1CCc2cc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000064976950 569077400 /nfs/dbraw/zinc/07/74/00/569077400.db2.gz AFIPEBMNYXAQSO-UHFFFAOYSA-N 0 0 446.572 4.247 50 0 IIAARN CCOC(=O)c1ccc(OC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000064977152 569077508 /nfs/dbraw/zinc/07/75/08/569077508.db2.gz RUFXWFQUCVZIKI-UHFFFAOYSA-N 0 0 443.455 4.395 50 0 IIAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(F)c(F)c1)c(C)n2C ZINC000064977697 569077616 /nfs/dbraw/zinc/07/76/16/569077616.db2.gz SYOYWQYBIQPHTA-UHFFFAOYSA-N 0 0 436.462 4.166 50 0 IIAARN CCOc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000064977904 569077677 /nfs/dbraw/zinc/07/76/77/569077677.db2.gz XTJCOQGLDOAZCG-UHFFFAOYSA-N 0 0 442.450 4.132 50 0 IIAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2)on1 ZINC000064979645 569078154 /nfs/dbraw/zinc/07/81/54/569078154.db2.gz YTUCYCGWTMPVSZ-UHFFFAOYSA-N 0 0 425.554 4.086 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345569 569080648 /nfs/dbraw/zinc/08/06/48/569080648.db2.gz QGSWPEOPTDVNBV-NOZRDPDXSA-N 0 0 447.579 4.256 50 0 IIAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346567 569081438 /nfs/dbraw/zinc/08/14/38/569081438.db2.gz ZDEQUFJQJSTOGC-FQEVSTJZSA-N 0 0 445.510 4.471 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985344 569081861 /nfs/dbraw/zinc/08/18/61/569081861.db2.gz INNNGURVVSABQL-NRFANRHFSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3C)Oc3cc(C)ccc32)cc1 ZINC000064985957 569082097 /nfs/dbraw/zinc/08/20/97/569082097.db2.gz MGXJRJDDVQBPRA-QHCPKHFHSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3cccc(Cl)c3)n1C)OCCCO2 ZINC000064987303 569082455 /nfs/dbraw/zinc/08/24/55/569082455.db2.gz WODAZKZRYASHLJ-UHFFFAOYSA-N 0 0 444.944 4.336 50 0 IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)CSc4ccccc4)cc32)cc1 ZINC000064989989 569083115 /nfs/dbraw/zinc/08/31/15/569083115.db2.gz MJBPEAAGPCGXFT-UHFFFAOYSA-N 0 0 432.545 4.307 50 0 IIAARN COc1cccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990638 569083330 /nfs/dbraw/zinc/08/33/30/569083330.db2.gz BUVFUCCNHLVMDX-SFHVURJKSA-N 0 0 429.520 4.286 50 0 IIAARN COc1cccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990637 569083366 /nfs/dbraw/zinc/08/33/66/569083366.db2.gz BUVFUCCNHLVMDX-GOSISDBHSA-N 0 0 429.520 4.286 50 0 IIAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)O2 ZINC000064988698 569083678 /nfs/dbraw/zinc/08/36/78/569083678.db2.gz WGKAPKXJXILPPU-HSZRJFAPSA-N 0 0 436.533 4.218 50 0 IIAARN CCOc1cc2c(cc1[C@@H]1CC(=O)Nc3c1c(C)nn3-c1ccc(Cl)nn1)O[C@@H](C)C2 ZINC000036358124 569084987 /nfs/dbraw/zinc/08/49/87/569084987.db2.gz OQDZSUOGRKCBBN-NHYWBVRUSA-N 0 0 439.903 4.470 50 0 IIAARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000064998865 569085538 /nfs/dbraw/zinc/08/55/38/569085538.db2.gz SLSZZWWCBWUESR-UHFFFAOYSA-N 0 0 438.487 4.122 50 0 IIAARN CCc1ccc(CNC(=O)c2c(=O)n(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000065000732 569086061 /nfs/dbraw/zinc/08/60/61/569086061.db2.gz KKQDOYSSDOQDHJ-UHFFFAOYSA-N 0 0 428.532 4.485 50 0 IIAARN Cc1ccccc1CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999820 569086289 /nfs/dbraw/zinc/08/62/89/569086289.db2.gz DAZKAKGHYKXXFF-UHFFFAOYSA-N 0 0 440.590 4.438 50 0 IIAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065004450 569086984 /nfs/dbraw/zinc/08/69/84/569086984.db2.gz VFJYFQMRLKBIKD-UHFFFAOYSA-N 0 0 447.557 4.321 50 0 IIAARN CCc1ccccc1NC(=O)N1CCN(c2cc(-c3ccc(OC)c(OC)c3)ncn2)CC1 ZINC000065007961 569087332 /nfs/dbraw/zinc/08/73/32/569087332.db2.gz PRNKIDNOBCTIRR-UHFFFAOYSA-N 0 0 447.539 4.077 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000065007427 569087621 /nfs/dbraw/zinc/08/76/21/569087621.db2.gz GOFMIYQJVVKPOQ-UHFFFAOYSA-N 0 0 428.598 4.205 50 0 IIAARN COc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nn2)cc1 ZINC000065009234 569087864 /nfs/dbraw/zinc/08/78/64/569087864.db2.gz KOSSXZMUXICOHP-UHFFFAOYSA-N 0 0 438.553 4.379 50 0 IIAARN COc1ccc(CCC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)cc1OC ZINC000036369953 569088474 /nfs/dbraw/zinc/08/84/74/569088474.db2.gz KSWKGFQBWQYQAW-UHFFFAOYSA-N 0 0 443.341 4.465 50 0 biogenic IIAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nc2)cc1 ZINC000065023294 569089246 /nfs/dbraw/zinc/08/92/46/569089246.db2.gz GYJQDAPXGYPDDQ-IBGZPJMESA-N 0 0 430.508 4.078 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)c1 ZINC000065023825 569089507 /nfs/dbraw/zinc/08/95/07/569089507.db2.gz BUFUFTHEYUKUMN-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN CSc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4cccc(F)c4)c32)cc1 ZINC000065024860 569089725 /nfs/dbraw/zinc/08/97/25/569089725.db2.gz LKVAGLKTEGTSQE-UHFFFAOYSA-N 0 0 438.484 4.149 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cc2)CC1 ZINC000065026904 569089959 /nfs/dbraw/zinc/08/99/59/569089959.db2.gz APMIOBCIOGMUTF-UHFFFAOYSA-N 0 0 448.563 4.314 50 0 IIAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000065031681 569091756 /nfs/dbraw/zinc/09/17/56/569091756.db2.gz AZFJLOVZNFHEHK-MRXNPFEDSA-N 0 0 427.460 4.474 50 0 IIAARN COC(=O)c1cc(OCC(=O)Nc2ccc(C)cc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000065033471 569091953 /nfs/dbraw/zinc/09/19/53/569091953.db2.gz PSYYLUPHFXRBPY-UHFFFAOYSA-N 0 0 444.871 4.018 50 0 IIAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c(Cl)c1 ZINC000065034840 569092018 /nfs/dbraw/zinc/09/20/18/569092018.db2.gz ATWAFALEEFJTAG-UHFFFAOYSA-N 0 0 430.335 4.449 50 0 IIAARN O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1ccc(Br)cc1 ZINC000169755542 569093495 /nfs/dbraw/zinc/09/34/95/569093495.db2.gz IZUZXBFNVKKRMR-UHFFFAOYSA-N 0 0 427.302 4.061 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000169753684 569093757 /nfs/dbraw/zinc/09/37/57/569093757.db2.gz QQDOLDQWNGOVJU-FQEVSTJZSA-N 0 0 427.508 4.032 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1OC ZINC000169759684 569094677 /nfs/dbraw/zinc/09/46/77/569094677.db2.gz LBBYVAHERHRYJP-JLCFBVMHSA-N 0 0 441.915 4.316 50 0 IIAARN CC[C@@H](NC(=O)C1CC1)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 ZINC000006874755 569094852 /nfs/dbraw/zinc/09/48/52/569094852.db2.gz SDDFNQAYVDFAAH-QPPBQGQZSA-N 0 0 426.532 4.247 50 0 IIAARN Cc1noc2nc(CCC(=O)NCc3ccc(Cl)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000065056641 569094918 /nfs/dbraw/zinc/09/49/18/569094918.db2.gz OGMPAZOMHFJFNQ-HUUCEWRRSA-N 0 0 441.963 4.311 50 0 IIAARN Cc1noc2nc(CCC(=O)NCc3ccccc3Cl)nc(N3CCCCCC3)c12 ZINC000065056523 569095251 /nfs/dbraw/zinc/09/52/51/569095251.db2.gz IRWKAPDSXVBPHN-UHFFFAOYSA-N 0 0 427.936 4.209 50 0 IIAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccc(Br)cc3)C2)c1 ZINC000065058302 569095501 /nfs/dbraw/zinc/09/55/01/569095501.db2.gz MKMBZYLKTDSTLV-QFIPXVFZSA-N 0 0 445.357 4.016 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CC3)c2)c(C)c1 ZINC000065059899 569095658 /nfs/dbraw/zinc/09/56/58/569095658.db2.gz IATADUWZTDAMGH-UHFFFAOYSA-N 0 0 437.521 4.184 50 0 IIAARN Cc1cccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062189 569097066 /nfs/dbraw/zinc/09/70/66/569097066.db2.gz BDEBNRJTXDTNNB-HNNXBMFYSA-N 0 0 441.018 4.063 50 0 IIAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000065074943 569099277 /nfs/dbraw/zinc/09/92/77/569099277.db2.gz DTNUZWVCHSWJPJ-SANMLTNESA-N 0 0 432.495 4.108 50 0 IIAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1ccc(C)cc1 ZINC000065075172 569099476 /nfs/dbraw/zinc/09/94/76/569099476.db2.gz MPUWFBVWKFPWFE-MHZLTWQESA-N 0 0 428.532 4.277 50 0 IIAARN Cc1cc(C)c(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077399 569100315 /nfs/dbraw/zinc/10/03/15/569100315.db2.gz LWLCSKAWKKDZNV-INIZCTEOSA-N 0 0 446.594 4.237 50 0 IIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000036397479 569100403 /nfs/dbraw/zinc/10/04/03/569100403.db2.gz FMPYDTPGHPLRPP-UHFFFAOYSA-N 0 0 439.475 4.031 50 0 IIAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000065078332 569100567 /nfs/dbraw/zinc/10/05/67/569100567.db2.gz OTZPHXNDOBWUCT-OAHLLOKOSA-N 0 0 446.594 4.293 50 0 IIAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000065077971 569100747 /nfs/dbraw/zinc/10/07/47/569100747.db2.gz WHXIURMFJQIAJR-OAHLLOKOSA-N 0 0 446.594 4.435 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NCc4ccco4)C3)sc12 ZINC000065080824 569101176 /nfs/dbraw/zinc/10/11/76/569101176.db2.gz HTRGQNDLKONUAE-KRWDZBQOSA-N 0 0 435.553 4.225 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)NCCc4ccco4)C3)sc12 ZINC000065081027 569101248 /nfs/dbraw/zinc/10/12/48/569101248.db2.gz PDWQTMLDLCAMIV-GOSISDBHSA-N 0 0 449.580 4.267 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cc(Cl)ccc4F)C3)n[nH]2)cc1 ZINC000169775350 569101878 /nfs/dbraw/zinc/10/18/78/569101878.db2.gz ZOEZXDNVOVRWAR-INIZCTEOSA-N 0 0 428.895 4.277 50 0 IIAARN COc1cc(NC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2cccnc2)cc(OC)c1 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CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]2C1 ZINC000017986998 569283434 /nfs/dbraw/zinc/28/34/34/569283434.db2.gz HZWPCFJTPKUFSC-PMACEKPBSA-N 0 0 437.879 4.225 50 0 IIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)n2N)cc1 ZINC000002356479 569285952 /nfs/dbraw/zinc/28/59/52/569285952.db2.gz YLYWMJLHUXSZKF-UHFFFAOYSA-N 0 0 431.949 4.059 50 0 IIAARN CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002363662 569287793 /nfs/dbraw/zinc/28/77/93/569287793.db2.gz FWQLBYPFHHUGON-KXBFYZLASA-N 0 0 431.558 4.281 50 0 IIAARN Cc1c(C)c2cc(Cl)c(OC(=O)CCNC(=O)OCc3ccccc3)cc2oc1=O ZINC000002366887 569288445 /nfs/dbraw/zinc/28/84/45/569288445.db2.gz SVIJSZUJBNXZOV-UHFFFAOYSA-N 0 0 429.856 4.285 50 0 IIAARN CCOC(=O)[C@@]1(C)C(Br)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccccc1 ZINC000002377254 569289562 /nfs/dbraw/zinc/28/95/62/569289562.db2.gz LNNYIJQIIUQRKW-OAQYLSRUSA-N 0 0 445.313 4.082 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000009244759 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569313448 /nfs/dbraw/zinc/31/34/48/569313448.db2.gz WHICCBYTTIEODV-UHFFFAOYSA-N 0 0 443.569 4.108 50 0 IIAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2)Nc1cc(F)ccc1F ZINC000013356094 569313626 /nfs/dbraw/zinc/31/36/26/569313626.db2.gz FIIQOXSTTLMZCH-UHFFFAOYSA-N 0 0 429.448 4.360 50 0 IIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(F)c4)c3)cc2=O)s1 ZINC000013368571 569314582 /nfs/dbraw/zinc/31/45/82/569314582.db2.gz ZBBAIZXIDGNOLM-UHFFFAOYSA-N 0 0 438.484 4.074 50 0 IIAARN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000328594339 569317524 /nfs/dbraw/zinc/31/75/24/569317524.db2.gz CYPOSWGHQWQFOD-UHFFFAOYSA-N 0 0 425.842 4.167 50 0 IIAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000328595486 569317742 /nfs/dbraw/zinc/31/77/42/569317742.db2.gz WFQAHBOIEXXTFA-UHFFFAOYSA-N 0 0 435.899 4.287 50 0 IIAARN CC(C)(C)c1noc(CCC(=O)Nc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)n1 ZINC000078803101 569319086 /nfs/dbraw/zinc/31/90/86/569319086.db2.gz SJHLFKUYKHLQTQ-UHFFFAOYSA-N 0 0 439.541 4.189 50 0 IIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000079019981 569322386 /nfs/dbraw/zinc/32/23/86/569322386.db2.gz WOJPUTPUAIIYFI-SFHVURJKSA-N 0 0 438.553 4.481 50 0 IIAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)CCc3cc(OC)ccc3OC)n2)c1 ZINC000079054520 569323541 /nfs/dbraw/zinc/32/35/41/569323541.db2.gz DCBLQMJSYZWOID-JOCHJYFZSA-N 0 0 435.524 4.399 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(C)c3)C2)cc1 ZINC000079112573 569326375 /nfs/dbraw/zinc/32/63/75/569326375.db2.gz CKRIFWBVPTWIGZ-NRFANRHFSA-N 0 0 437.521 4.341 50 0 IIAARN COc1cc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)cc(OC)c1OC ZINC000079478677 569330698 /nfs/dbraw/zinc/33/06/98/569330698.db2.gz DHWLYIJCQZJIFM-UHFFFAOYSA-N 0 0 429.498 4.257 50 0 IIAARN Cc1ccc(S(=O)(=O)c2ncccc2CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000079497415 569331548 /nfs/dbraw/zinc/33/15/48/569331548.db2.gz YROKAQAEHYTNKQ-UHFFFAOYSA-N 0 0 441.984 4.198 50 0 IIAARN Cc1cccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)c1 ZINC000020137342 569335800 /nfs/dbraw/zinc/33/58/00/569335800.db2.gz OYAFNXLMAXYVHV-UHFFFAOYSA-N 0 0 428.535 4.111 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1-c1cn2c(n1)SCC2)n1nc(-c2cccs2)ccc1=O ZINC000390825843 569353728 /nfs/dbraw/zinc/35/37/28/569353728.db2.gz HWDXPMVQTPFLLO-CQSZACIVSA-N 0 0 449.561 4.141 50 0 IIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)c1 ZINC000020180838 569355249 /nfs/dbraw/zinc/35/52/49/569355249.db2.gz REWIJZSRHRZPOC-QUJMBJPLSA-N 0 0 434.536 4.403 50 0 IIAARN CCC(=O)N1CCc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 ZINC000020181972 569355369 /nfs/dbraw/zinc/35/53/69/569355369.db2.gz GMRYIGMDSKDMLP-UHFFFAOYSA-N 0 0 448.588 4.419 50 0 IIAARN COc1ccc2nc3oc(C(=O)N4CCN(c5ccc(C(C)=O)cc5)CC4)cc3cc2c1 ZINC000020210038 569356244 /nfs/dbraw/zinc/35/62/44/569356244.db2.gz DTROJYFMWWELRY-UHFFFAOYSA-N 0 0 429.476 4.155 50 0 IIAARN COc1ccc(-c2noc(CN3CC[C@@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211472 569356249 /nfs/dbraw/zinc/35/62/49/569356249.db2.gz KIEOIZURXIRDIT-OAHLLOKOSA-N 0 0 429.904 4.405 50 0 IIAARN CCOCCCNC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000020237613 569357493 /nfs/dbraw/zinc/35/74/93/569357493.db2.gz NSLBTCOQRISMNR-CVDCTZTESA-N 0 0 440.609 4.490 50 0 IIAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)Nc3cc(C)cc(C)c3)C(C)C)cc2s1 ZINC000020326262 569360488 /nfs/dbraw/zinc/36/04/88/569360488.db2.gz HMXMHMUXXYHVJK-FQEVSTJZSA-N 0 0 431.583 4.163 50 0 IIAARN C[C@H]1CN(c2ccc(C(=O)NC3(c4ccc(Br)cc4)CCC3)cn2)C[C@H](C)O1 ZINC000095364879 569362369 /nfs/dbraw/zinc/36/23/69/569362369.db2.gz SZSDEJVCDGJSET-HOTGVXAUSA-N 0 0 444.373 4.267 50 0 IIAARN CCOC(=O)[C@H]1CCCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000020381148 569362629 /nfs/dbraw/zinc/36/26/29/569362629.db2.gz RQSPBGFRMDRUPE-SFHVURJKSA-N 0 0 438.549 4.156 50 0 IIAARN O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCC2(CC1)OCCO2 ZINC000020381102 569362672 /nfs/dbraw/zinc/36/26/72/569362672.db2.gz OSROBGCFVANLCD-UHFFFAOYSA-N 0 0 444.940 4.064 50 0 IIAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccccc4C(=O)OC)C3)sc2c1 ZINC000020383494 569362780 /nfs/dbraw/zinc/36/27/80/569362780.db2.gz PPDIARBCUSZKHL-HNNXBMFYSA-N 0 0 439.537 4.337 50 0 IIAARN CCNC(=O)NC1CCC(OC(=O)CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000095398427 569363717 /nfs/dbraw/zinc/36/37/17/569363717.db2.gz BCXVLYZMENQPHT-UHFFFAOYSA-N 0 0 426.513 4.421 50 0 IIAARN C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000095431407 569366267 /nfs/dbraw/zinc/36/62/67/569366267.db2.gz KQBRDNNCJVAUDQ-ACJLOTCBSA-N 0 0 437.849 4.266 50 0 IIAARN CN(C(=O)[C@H]1CC1(Cl)Cl)c1cccc2c1CCCN2C(=O)[C@H]1CC1(Cl)Cl ZINC000095446993 569367492 /nfs/dbraw/zinc/36/74/92/569367492.db2.gz YHWIEHYIMHKDEV-VXGBXAGGSA-N 0 0 436.166 4.316 50 0 IIAARN COc1cc(C(=O)Nc2cccc(-n3cnnc3C)c2)cc(OC)c1OCc1ccccc1 ZINC000095446982 569367518 /nfs/dbraw/zinc/36/75/18/569367518.db2.gz MQZDOGPFWWCBHC-UHFFFAOYSA-N 0 0 444.491 4.424 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(F)cc1Br ZINC000095450514 569367753 /nfs/dbraw/zinc/36/77/53/569367753.db2.gz MTCRGYJFLABZIB-UHFFFAOYSA-N 0 0 426.185 4.134 50 0 IIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000095454872 569368423 /nfs/dbraw/zinc/36/84/23/569368423.db2.gz YAGUEUVMJOVLSM-SFHVURJKSA-N 0 0 437.466 4.251 50 0 IIAARN CC(C)c1ccc(N2Cc3ccc(NC(=O)COc4ccc(C(N)=O)cc4)cc3C2)cc1 ZINC000095458973 569369353 /nfs/dbraw/zinc/36/93/53/569369353.db2.gz UFLFRNIOCCDPFA-UHFFFAOYSA-N 0 0 429.520 4.447 50 0 IIAARN CN1C(=O)CCc2cc(NC(=O)NC(C)(C)COc3ncc(Cl)cc3Cl)ccc21 ZINC000095460944 569369739 /nfs/dbraw/zinc/36/97/39/569369739.db2.gz UFPCDWCEBOBBIM-UHFFFAOYSA-N 0 0 437.327 4.277 50 0 IIAARN Cc1ncc(CN2CCSCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095474926 569372617 /nfs/dbraw/zinc/37/26/17/569372617.db2.gz LPAPLOUPJKQHPH-UHFFFAOYSA-N 0 0 436.489 4.187 50 0 IIAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccccc2F)cc(=O)c1O ZINC000095475717 569372788 /nfs/dbraw/zinc/37/27/88/569372788.db2.gz HXRGDHKFVMYEJO-MRXNPFEDSA-N 0 0 430.453 4.177 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCCCO4)cs2)c1C ZINC000095476747 569373145 /nfs/dbraw/zinc/37/31/45/569373145.db2.gz YRLISQUUIAXWRA-UHFFFAOYSA-N 0 0 441.509 4.345 50 0 IIAARN COc1cccc(-c2nc(C)c(C(=O)N3CCC(c4nnc5ccccn54)CC3)s2)c1 ZINC000095477419 569373154 /nfs/dbraw/zinc/37/31/54/569373154.db2.gz LFWLHLUIKDUXFZ-UHFFFAOYSA-N 0 0 433.537 4.190 50 0 IIAARN COCc1nnc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)s1 ZINC000095479390 569373636 /nfs/dbraw/zinc/37/36/36/569373636.db2.gz WUFOFWCQYAJFQX-UHFFFAOYSA-N 0 0 441.509 4.342 50 0 IIAARN COC(=O)C[C@H](c1cccc2nccnc21)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095480396 569373926 /nfs/dbraw/zinc/37/39/26/569373926.db2.gz YESKGHPYBWLSRD-GOSISDBHSA-N 0 0 448.500 4.276 50 0 IIAARN COc1cccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)c1 ZINC000095482236 569374310 /nfs/dbraw/zinc/37/43/10/569374310.db2.gz NXRBNRXIDIXYIV-UHFFFAOYSA-N 0 0 448.342 4.057 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000095942801 569375533 /nfs/dbraw/zinc/37/55/33/569375533.db2.gz WVGUZOYMSJJLIW-UHFFFAOYSA-N 0 0 433.308 4.260 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2cccs2)c1 ZINC000095945749 569375941 /nfs/dbraw/zinc/37/59/41/569375941.db2.gz SPEVRHVKYCQENU-UHFFFAOYSA-N 0 0 425.487 4.381 50 0 IIAARN CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000095946144 569376076 /nfs/dbraw/zinc/37/60/76/569376076.db2.gz ZNFYJORNWXMQIF-IBGZPJMESA-N 0 0 437.924 4.328 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 ZINC000095947004 569376191 /nfs/dbraw/zinc/37/61/91/569376191.db2.gz OAEHQDDOFMBHBT-JKSUJKDBSA-N 0 0 447.388 4.057 50 0 IIAARN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H](C)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000095991547 569378169 /nfs/dbraw/zinc/37/81/69/569378169.db2.gz YGVHUMJIIPMPEH-HNNXBMFYSA-N 0 0 434.367 4.400 50 0 IIAARN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000095995149 569378596 /nfs/dbraw/zinc/37/85/96/569378596.db2.gz PXRQHLQDORBELP-NVXWUHKLSA-N 0 0 431.508 4.175 50 0 IIAARN CC(C)Cn1ncnc1COC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000095997590 569378954 /nfs/dbraw/zinc/37/89/54/569378954.db2.gz FHNOPFRIHSMFTN-UHFFFAOYSA-N 0 0 427.814 4.149 50 0 IIAARN COc1cc(CN(C)Cc2nccn2C)ccc1OCc1ccc(Br)cc1 ZINC000096003578 569379259 /nfs/dbraw/zinc/37/92/59/569379259.db2.gz NZIGUUHHCAXZRZ-UHFFFAOYSA-N 0 0 430.346 4.402 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)NCc2ccnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000096012009 569380049 /nfs/dbraw/zinc/38/00/49/569380049.db2.gz XVDZQMNVYZYXEK-WOJBJXKFSA-N 0 0 447.535 4.188 50 0 IIAARN O=C(CSc1nc2ccccc2o1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099898 569381747 /nfs/dbraw/zinc/38/17/47/569381747.db2.gz SIWVXHPSTZDORC-UHFFFAOYSA-N 0 0 442.591 4.454 50 0 IIAARN O=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000096103954 569382103 /nfs/dbraw/zinc/38/21/03/569382103.db2.gz VGLZKCPGJSBTTI-UHFFFAOYSA-N 0 0 443.491 4.254 50 0 IIAARN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114516 569382907 /nfs/dbraw/zinc/38/29/07/569382907.db2.gz VBXBQZGRHZQLFL-QGZVFWFLSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1O ZINC000096115073 569383125 /nfs/dbraw/zinc/38/31/25/569383125.db2.gz AJXOPYVJUDSEDS-OFNKIYASSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1O ZINC000096115076 569383217 /nfs/dbraw/zinc/38/32/17/569383217.db2.gz AJXOPYVJUDSEDS-NZQKXSOJSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN CC(C)CNC(=O)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096118207 569384360 /nfs/dbraw/zinc/38/43/60/569384360.db2.gz NQETZSZZQPLHOZ-INIZCTEOSA-N 0 0 443.396 4.218 50 0 IIAARN COc1ccc(CNC(=O)NCCn2nc(-c3cccs3)cc2C2CC2)cc1OC ZINC000096121628 569385062 /nfs/dbraw/zinc/38/50/62/569385062.db2.gz POULKSMSFZLCOL-UHFFFAOYSA-N 0 0 426.542 4.006 50 0 IIAARN COC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000096126345 569385734 /nfs/dbraw/zinc/38/57/34/569385734.db2.gz UFIFHFRTIUDREH-QNGOZBTKSA-N 0 0 439.471 4.419 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000096221725 569386985 /nfs/dbraw/zinc/38/69/85/569386985.db2.gz OFTOGHFILWTWMP-NRFANRHFSA-N 0 0 432.476 4.164 50 0 biogenic IIAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000096230787 569387491 /nfs/dbraw/zinc/38/74/91/569387491.db2.gz WGAWAVBEZMLHBL-UHFFFAOYSA-N 0 0 430.331 4.140 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cnn3c2nccc3-c2ccccc2Cl)CC1 ZINC000096237172 569387885 /nfs/dbraw/zinc/38/78/85/569387885.db2.gz PRDPNYOQEXZKFQ-UHFFFAOYSA-N 0 0 447.926 4.021 50 0 IIAARN O=C(c1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)CCc1ccccc1 ZINC000096276187 569388525 /nfs/dbraw/zinc/38/85/25/569388525.db2.gz OWOYMUUEAJLWJA-UHFFFAOYSA-N 0 0 441.487 4.393 50 0 IIAARN CCCn1c(C(=O)N2CCN(CC)CC2)cc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000096276547 569388674 /nfs/dbraw/zinc/38/86/74/569388674.db2.gz KGNXUYXTIJPOJO-UHFFFAOYSA-N 0 0 436.531 4.220 50 0 IIAARN CC(C)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000096279472 569389428 /nfs/dbraw/zinc/38/94/28/569389428.db2.gz RRNTVPCZKBPZAA-IBGZPJMESA-N 0 0 429.586 4.230 50 0 IIAARN CCCS(=O)(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)c2cccc(F)c2)c1 ZINC000096279486 569389441 /nfs/dbraw/zinc/38/94/41/569389441.db2.gz ZMIIVDJTXXHPLD-UHFFFAOYSA-N 0 0 449.592 4.342 50 0 IIAARN COCc1nnc(SCc2ccccc2C(=O)N2CCCC2)n1-c1ccccc1F ZINC000096290742 569391003 /nfs/dbraw/zinc/39/10/03/569391003.db2.gz DJJLZQJPVBYTQH-UHFFFAOYSA-N 0 0 426.517 4.081 50 0 IIAARN COCc1nnc(SCc2ccccc2C(=O)NC2CC2)n1-c1cccc(Cl)c1 ZINC000096290747 569391007 /nfs/dbraw/zinc/39/10/07/569391007.db2.gz ZXZILHABABJEEA-UHFFFAOYSA-N 0 0 428.945 4.252 50 0 IIAARN O=C(Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)N1CCOCC1 ZINC000096291078 569391127 /nfs/dbraw/zinc/39/11/27/569391127.db2.gz DVVCWAIOJSSAKH-UHFFFAOYSA-N 0 0 438.742 4.446 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)CC(C)C)cc2)cc1 ZINC000096291365 569391129 /nfs/dbraw/zinc/39/11/29/569391129.db2.gz SSPDFPQZIBGSRH-UHFFFAOYSA-N 0 0 431.554 4.248 50 0 IIAARN CCc1nc(NCCNC(=O)COCc2ccccc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096292383 569391325 /nfs/dbraw/zinc/39/13/25/569391325.db2.gz QZXXHTPLBSBAPO-UHFFFAOYSA-N 0 0 433.339 4.244 50 0 IIAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096316897 569392992 /nfs/dbraw/zinc/39/29/92/569392992.db2.gz AYYDFTJSYFBFJQ-UHFFFAOYSA-N 0 0 448.592 4.286 50 0 IIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cc(C)ccc1C ZINC000096317418 569393350 /nfs/dbraw/zinc/39/33/50/569393350.db2.gz FQGLJTFEADMBQC-UHFFFAOYSA-N 0 0 436.600 4.013 50 0 IIAARN CCc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(C)cc3)c4=O)n2)cc1 ZINC000096320200 569394082 /nfs/dbraw/zinc/39/40/82/569394082.db2.gz PFRXSQWZYXCZTR-UHFFFAOYSA-N 0 0 438.487 4.326 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)c(F)c4)no3)n2)cc1 ZINC000096322883 569394917 /nfs/dbraw/zinc/39/49/17/569394917.db2.gz ZNLWGBUUSHQCRD-UHFFFAOYSA-N 0 0 426.835 4.200 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)c(Cl)c4)no3)n2)cc1 ZINC000096322884 569394947 /nfs/dbraw/zinc/39/49/47/569394947.db2.gz HVBILWQCCUNFFF-UHFFFAOYSA-N 0 0 426.835 4.200 50 0 IIAARN COC(=O)c1ccc(C)cc1NC(=O)N1CCc2c(sc3nc(-c4ccccc4)nn23)C1 ZINC000096323922 569395652 /nfs/dbraw/zinc/39/56/52/569395652.db2.gz ZIBYGJAWKYRKRZ-UHFFFAOYSA-N 0 0 447.520 4.143 50 0 IIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1 ZINC000096324526 569395950 /nfs/dbraw/zinc/39/59/50/569395950.db2.gz XELSEEBSTUVHEX-UHFFFAOYSA-N 0 0 432.505 4.126 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(F)cc2)c1 ZINC000096335960 569396661 /nfs/dbraw/zinc/39/66/61/569396661.db2.gz GQQLTBLUASXPJX-NZQKXSOJSA-N 0 0 431.419 4.472 50 0 IIAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4cc(F)ccc4Cl)no3)[nH]c2c1 ZINC000096349486 569397321 /nfs/dbraw/zinc/39/73/21/569397321.db2.gz RCGRIMYXYZWRQS-UHFFFAOYSA-N 0 0 428.851 4.334 50 0 IIAARN O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000096372464 569397854 /nfs/dbraw/zinc/39/78/54/569397854.db2.gz ZZTYFFUMWXSKEU-UHFFFAOYSA-N 0 0 438.478 4.033 50 0 IIAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1 ZINC000096372480 569397877 /nfs/dbraw/zinc/39/78/77/569397877.db2.gz SDEVPSZACCHYAD-UHFFFAOYSA-N 0 0 446.551 4.154 50 0 IIAARN CC[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O)c1cccs1 ZINC000096372492 569397923 /nfs/dbraw/zinc/39/79/23/569397923.db2.gz CHQBLPDGWKTLPZ-GOSISDBHSA-N 0 0 445.548 4.030 50 0 IIAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000096376281 569398221 /nfs/dbraw/zinc/39/82/21/569398221.db2.gz FFKRIIUZECAMJM-UHFFFAOYSA-N 0 0 431.598 4.066 50 0 IIAARN Cc1oc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc1C(=O)N1CCCCC1 ZINC000096396921 569399215 /nfs/dbraw/zinc/39/92/15/569399215.db2.gz WWZATGOFEKLIFI-UHFFFAOYSA-N 0 0 433.911 4.421 50 0 IIAARN Cc1oc(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc1C(=O)N1CCCCC1 ZINC000096396936 569399238 /nfs/dbraw/zinc/39/92/38/569399238.db2.gz MJQZBOCKMPKGBO-UHFFFAOYSA-N 0 0 433.911 4.421 50 0 IIAARN O=C([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000096399340 569399945 /nfs/dbraw/zinc/39/99/45/569399945.db2.gz KYEWWPDPUNCYOO-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN CCCSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2s1 ZINC000096399446 569400083 /nfs/dbraw/zinc/40/00/83/569400083.db2.gz VZYBVWMQVIWGIT-UHFFFAOYSA-N 0 0 435.552 4.044 50 0 IIAARN O=C(Nc1cccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)c1)C(F)(F)F ZINC000096939548 569402611 /nfs/dbraw/zinc/40/26/11/569402611.db2.gz QLKFLKFOQPUWBP-RIYZIHGNSA-N 0 0 426.297 4.133 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N(C)C3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468382 569403987 /nfs/dbraw/zinc/40/39/87/569403987.db2.gz BWYBCSFHWCQTHK-DQEYMECFSA-N 0 0 448.563 4.332 50 0 IIAARN CN(Cc1ccccc1)CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000055398913 569404275 /nfs/dbraw/zinc/40/42/75/569404275.db2.gz JHCIHKBWJHDFRN-UHFFFAOYSA-N 0 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ZINC000028049305 569406728 /nfs/dbraw/zinc/40/67/28/569406728.db2.gz FFDJFRVSOSHDQY-UHFFFAOYSA-N 0 0 425.535 4.351 50 0 IIAARN COc1ccc(Sc2cc3c(cc2NC(=O)Cc2cccs2)n(C)c(=O)n3C)cc1 ZINC000028049322 569406736 /nfs/dbraw/zinc/40/67/36/569406736.db2.gz FVLFWYSWCYISDD-UHFFFAOYSA-N 0 0 439.562 4.280 50 0 IIAARN O=C(Cc1nc(CSc2nnc(-c3cccs3)o2)cs1)NCc1ccccc1 ZINC000028188128 569408950 /nfs/dbraw/zinc/40/89/50/569408950.db2.gz WRPREUCVZBKJGH-UHFFFAOYSA-N 0 0 428.564 4.406 50 0 IIAARN O=C(Cc1cccc2ccccc21)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000028228519 569409343 /nfs/dbraw/zinc/40/93/43/569409343.db2.gz CUCNRSFEZJNIMH-HXUWFJFHSA-N 0 0 427.953 4.252 50 0 IIAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)cc1 ZINC000002616355 569410120 /nfs/dbraw/zinc/41/01/20/569410120.db2.gz JPOYJWUYQPRZOH-UHFFFAOYSA-N 0 0 428.539 4.346 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000002624690 569411495 /nfs/dbraw/zinc/41/14/95/569411495.db2.gz UQCAXAMXPXSMMC-KRWDZBQOSA-N 0 0 448.548 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/nfs/dbraw/zinc/41/43/47/569414347.db2.gz UUHHWKVJNYPPLT-JOCHJYFZSA-N 0 0 449.551 4.185 50 0 IIAARN O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(SC(F)F)cc1 ZINC000002648094 569414454 /nfs/dbraw/zinc/41/44/54/569414454.db2.gz QQZAZGAMNSIXIC-UHFFFAOYSA-N 0 0 446.269 4.325 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002655421 569415378 /nfs/dbraw/zinc/41/53/78/569415378.db2.gz PGYNMZCVKXAXEC-UHFFFAOYSA-N 0 0 435.596 4.058 50 0 IIAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(F)c(F)c1F ZINC000002663389 569416343 /nfs/dbraw/zinc/41/63/43/569416343.db2.gz MNXCIQFVTQZGLS-UHFFFAOYSA-N 0 0 440.377 4.161 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002689812 569416866 /nfs/dbraw/zinc/41/68/66/569416866.db2.gz VSZUKVDRACLCGY-UHFFFAOYSA-N 0 0 430.435 4.019 50 0 IIAARN COc1ccc(CNC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1 ZINC000002725482 569418612 /nfs/dbraw/zinc/41/86/12/569418612.db2.gz PGSQQZTUDTXATH-UHFFFAOYSA-N 0 0 437.201 4.489 50 0 IIAARN O=C(NCCn1cc(Br)cn1)c1cccc(COc2ccc3c(c2)CCC3)c1 ZINC000002729337 569418664 /nfs/dbraw/zinc/41/86/64/569418664.db2.gz MDCIUCCANMVWKC-UHFFFAOYSA-N 0 0 440.341 4.143 50 0 IIAARN CCn1ncc(Cl)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002778496 569421065 /nfs/dbraw/zinc/42/10/65/569421065.db2.gz PAWLMLRDBVRFOK-LBPRGKRZSA-N 0 0 447.992 4.171 50 0 IIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCCCCC2)cc1 ZINC000002908626 569424649 /nfs/dbraw/zinc/42/46/49/569424649.db2.gz NKRADNRFYQPBKP-UHFFFAOYSA-N 0 0 427.595 4.309 50 0 IIAARN Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911226 569424889 /nfs/dbraw/zinc/42/48/89/569424889.db2.gz LPYMBJSPSUCKMR-UHFFFAOYSA-N 0 0 429.423 4.484 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3)ccc2N2CCCC2)cc1 ZINC000002912060 569424932 /nfs/dbraw/zinc/42/49/32/569424932.db2.gz RSJRFETURUTAET-UHFFFAOYSA-N 0 0 449.576 4.326 50 0 IIAARN COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)c(OC)c1OC ZINC000002914251 569424966 /nfs/dbraw/zinc/42/49/66/569424966.db2.gz CAVKMTIDPNFXCG-CVEARBPZSA-N 0 0 445.317 4.213 50 0 IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1Br ZINC000003361109 569447925 /nfs/dbraw/zinc/44/79/25/569447925.db2.gz IFZURSLYERYBOZ-JTQLQIEISA-N 0 0 431.149 4.352 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002940456 569426700 /nfs/dbraw/zinc/42/67/00/569426700.db2.gz QNVDRBWRUCTTRQ-UHFFFAOYSA-N 0 0 436.249 4.270 50 0 IIAARN CC[C@@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000002944427 569426908 /nfs/dbraw/zinc/42/69/08/569426908.db2.gz WJDNCFAZVPJJSR-KUHUBIRLSA-N 0 0 440.540 4.073 50 0 biogenic IIAARN COCCNc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000002948640 569427182 /nfs/dbraw/zinc/42/71/82/569427182.db2.gz OSUSNEFCWVPCEQ-UHFFFAOYSA-N 0 0 436.459 4.438 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000029236729 569429169 /nfs/dbraw/zinc/42/91/69/569429169.db2.gz QKVWVKPHMSNYCA-UHFFFAOYSA-N 0 0 438.277 4.339 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000057296983 569430683 /nfs/dbraw/zinc/43/06/83/569430683.db2.gz FSMNEFKMJXIHJS-RUZDIDTESA-N 0 0 431.536 4.211 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 ZINC000029769941 569432811 /nfs/dbraw/zinc/43/28/11/569432811.db2.gz ALMVCEJCEXGVQV-UHFFFAOYSA-N 0 0 447.944 4.185 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002970020 569433257 /nfs/dbraw/zinc/43/32/57/569433257.db2.gz LGMFVOQBZQKFMI-UHFFFAOYSA-N 0 0 430.485 4.149 50 0 IIAARN O=C(CCn1c(=O)c2ccccc2nc1SCc1ccccc1F)N1CCCCC1 ZINC000002972135 569433472 /nfs/dbraw/zinc/43/34/72/569433472.db2.gz PYHREAFYOCHGCB-UHFFFAOYSA-N 0 0 425.529 4.231 50 0 IIAARN CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(C(=O)OC)cc1 ZINC000002980139 569433684 /nfs/dbraw/zinc/43/36/84/569433684.db2.gz DKTIYYWSTSWMTQ-NRFANRHFSA-N 0 0 441.524 4.185 50 0 IIAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)c1ccccc1 ZINC000057417049 569434276 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COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000003554126 569453891 /nfs/dbraw/zinc/45/38/91/569453891.db2.gz JBEUYQPERPKHIV-AWEZNQCLSA-N 0 0 436.961 4.472 50 0 IIAARN COc1ccc(Br)cc1CN1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000003587671 569454482 /nfs/dbraw/zinc/45/44/82/569454482.db2.gz OYGAYKDNLSLDIX-NRFANRHFSA-N 0 0 437.378 4.178 50 0 IIAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccccc1Oc1ccccc1 ZINC000003600671 569454853 /nfs/dbraw/zinc/45/48/53/569454853.db2.gz OVJCEZRANDQTEM-AREMUKBSSA-N 0 0 441.487 4.201 50 0 IIAARN O=c1c2cc(NC(=S)NCCc3ccc(Cl)cc3)ccc2nc2n1CCCCC2 ZINC000003645879 569455605 /nfs/dbraw/zinc/45/56/05/569455605.db2.gz LCGHTACGANRSGB-UHFFFAOYSA-N 0 0 426.973 4.305 50 0 IIAARN CCOc1ncccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000031322964 569455867 /nfs/dbraw/zinc/45/58/67/569455867.db2.gz ISZGLSGYABZVSU-UHFFFAOYSA-N 0 0 428.492 4.272 50 0 IIAARN COc1ccc2[nH]c(CNC(=O)C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc2c1 ZINC000670455311 569457507 /nfs/dbraw/zinc/45/75/07/569457507.db2.gz POZLWSXJDQRRJA-UHFFFAOYSA-N 0 0 448.567 4.038 50 0 IIAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000031817219 569458016 /nfs/dbraw/zinc/45/80/16/569458016.db2.gz MNTHEHYHSYYMKN-AWEZNQCLSA-N 0 0 436.686 4.427 50 0 IIAARN CC(C)N(C(=O)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000004105455 569459064 /nfs/dbraw/zinc/45/90/64/569459064.db2.gz OJRKTVDCYJTLKM-UHFFFAOYSA-N 0 0 434.517 4.087 50 0 IIAARN O=C1Nc2cc(F)ccc2[C@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032088479 569459483 /nfs/dbraw/zinc/45/94/83/569459483.db2.gz BDKFZNRVNURRMX-IBGZPJMESA-N 0 0 432.333 4.140 50 0 IIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc(OC)c2OCC(C)C)nn1 ZINC000032089862 569459565 /nfs/dbraw/zinc/45/95/65/569459565.db2.gz KQEBRCPCXHGXQX-MRXNPFEDSA-N 0 0 437.500 4.146 50 0 IIAARN Cc1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3-c1ccc(OC(F)(F)F)cc1)C(=O)N2 ZINC000032095871 569459889 /nfs/dbraw/zinc/45/98/89/569459889.db2.gz XIFUUZBJGNRCRR-FQEVSTJZSA-N 0 0 428.370 4.309 50 0 IIAARN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004183300 569460755 /nfs/dbraw/zinc/46/07/55/569460755.db2.gz HOIDTOWUVRZYHZ-QFIPXVFZSA-N 0 0 429.582 4.022 50 0 IIAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccccc1 ZINC000004186561 569460793 /nfs/dbraw/zinc/46/07/93/569460793.db2.gz KHBUIBVGMAHVIP-UHFFFAOYSA-N 0 0 444.560 4.275 50 0 IIAARN O=C(Cc1cn2ccccc2n1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000032427757 569461659 /nfs/dbraw/zinc/46/16/59/569461659.db2.gz ZSYMYDGBCJZTAK-UHFFFAOYSA-N 0 0 425.467 4.185 50 0 IIAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)nn2)cc1 ZINC000038488081 569462952 /nfs/dbraw/zinc/46/29/52/569462952.db2.gz YQDXTFVOHUXZAS-UHFFFAOYSA-N 0 0 428.492 4.251 50 0 IIAARN CN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546506 569463613 /nfs/dbraw/zinc/46/36/13/569463613.db2.gz XXVHEWRMWAFXJZ-QFIPXVFZSA-N 0 0 436.581 4.204 50 0 IIAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205058 569464598 /nfs/dbraw/zinc/46/45/98/569464598.db2.gz GUZGBTWNSSQDFH-OAQYLSRUSA-N 0 0 427.932 4.033 50 0 IIAARN O=C(c1cc2c(s1)CCCC2)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067206004 569464677 /nfs/dbraw/zinc/46/46/77/569464677.db2.gz DUWQRKLRZCXTPO-UHFFFAOYSA-N 0 0 437.521 4.425 50 0 IIAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1ccc(F)cc1Cl ZINC000067208642 569464760 /nfs/dbraw/zinc/46/47/60/569464760.db2.gz UBDWLLNOMKYLLM-UHFFFAOYSA-N 0 0 447.857 4.142 50 0 IIAARN CC(C)c1ccccc1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O ZINC000067225840 569465247 /nfs/dbraw/zinc/46/52/47/569465247.db2.gz RSDBIRFOWJAPDB-UHFFFAOYSA-N 0 0 447.564 4.252 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)c1 ZINC000067236966 569465505 /nfs/dbraw/zinc/46/55/05/569465505.db2.gz BUJQFVSDRGYWHT-UHFFFAOYSA-N 0 0 434.521 4.070 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067237919 569465533 /nfs/dbraw/zinc/46/55/33/569465533.db2.gz WODLWKPGEXGKKO-UHFFFAOYSA-N 0 0 428.558 4.209 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067238263 569465591 /nfs/dbraw/zinc/46/55/91/569465591.db2.gz BWHKCCGGQPZXNO-MRXNPFEDSA-N 0 0 442.585 4.057 50 0 IIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000067238932 569465626 /nfs/dbraw/zinc/46/56/26/569465626.db2.gz GFMZVJYSCWGXSX-GFCCVEGCSA-N 0 0 449.374 4.497 50 0 IIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(Br)c1 ZINC000067239022 569465642 /nfs/dbraw/zinc/46/56/42/569465642.db2.gz TVRAZZKFWQTMSB-GFCCVEGCSA-N 0 0 449.374 4.497 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4cccc(Cl)c4)no3)ccc2c(=O)n1CCc1ccccc1 ZINC000038652335 569465742 /nfs/dbraw/zinc/46/57/42/569465742.db2.gz FAJIMEXHJWDFGH-UHFFFAOYSA-N 0 0 444.878 4.303 50 0 IIAARN CCc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 ZINC000067260848 569466380 /nfs/dbraw/zinc/46/63/80/569466380.db2.gz DJDBAZCJRIVNAN-UHFFFAOYSA-N 0 0 428.536 4.049 50 0 IIAARN Cc1c(C(=O)NCc2ccccc2C(F)(F)F)nnn1-c1ccccc1Br ZINC000067263972 569466737 /nfs/dbraw/zinc/46/67/37/569466737.db2.gz LVJRLAYDGCPHHP-UHFFFAOYSA-N 0 0 439.235 4.287 50 0 IIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000038710580 569467853 /nfs/dbraw/zinc/46/78/53/569467853.db2.gz DILQDQIJCYKXCQ-XBXARRHUSA-N 0 0 432.501 4.327 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298721 569468096 /nfs/dbraw/zinc/46/80/96/569468096.db2.gz BUDWTNDGQPXTMT-BZIHZDCZSA-N 0 0 432.398 4.298 50 0 IIAARN COc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 ZINC000067297859 569468108 /nfs/dbraw/zinc/46/81/08/569468108.db2.gz YNIRTKWEUVGAGN-LCUIJRPUSA-N 0 0 431.448 4.344 50 0 IIAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1CCO ZINC000067300520 569468187 /nfs/dbraw/zinc/46/81/87/569468187.db2.gz VNKLMBCCHBSVLH-UHFFFAOYSA-N 0 0 439.943 4.169 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000067322242 569468692 /nfs/dbraw/zinc/46/86/92/569468692.db2.gz DSJKRUWQYFRCFQ-UHFFFAOYSA-N 0 0 431.418 4.113 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)Nc1cc(Cl)ccc1C ZINC000067323344 569468769 /nfs/dbraw/zinc/46/87/69/569468769.db2.gz CUZGVMFUSJIEIK-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 ZINC000038754588 569468837 /nfs/dbraw/zinc/46/88/37/569468837.db2.gz KPKLCXRWLARKND-UHFFFAOYSA-N 0 0 438.505 4.129 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)N(C)C2=O ZINC000008661149 569469794 /nfs/dbraw/zinc/46/97/94/569469794.db2.gz MEKPXORZKLGZLW-SFTDATJTSA-N 0 0 440.496 4.454 50 0 IIAARN C[C@@H](NC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000008662173 569469899 /nfs/dbraw/zinc/46/98/99/569469899.db2.gz BDWWNXHESBCDBA-MASXVTNBSA-N 0 0 446.595 4.125 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000008717647 569471112 /nfs/dbraw/zinc/47/11/12/569471112.db2.gz HNISHCOAQQPVDG-SQJMNOBHSA-N 0 0 445.450 4.192 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000008718736 569471319 /nfs/dbraw/zinc/47/13/19/569471319.db2.gz RFDHODXKNSDGHT-UHFFFAOYSA-N 0 0 425.579 4.283 50 0 IIAARN COc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)n2C[C@H]2CCCO2)cc1 ZINC000008720000 569471498 /nfs/dbraw/zinc/47/14/98/569471498.db2.gz RPSNISQIYUYDCN-HXUWFJFHSA-N 0 0 435.553 4.381 50 0 IIAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000008723405 569471897 /nfs/dbraw/zinc/47/18/97/569471897.db2.gz ZTPWCWMDURUVJR-QGZVFWFLSA-N 0 0 440.521 4.044 50 0 IIAARN C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000008723904 569471919 /nfs/dbraw/zinc/47/19/19/569471919.db2.gz KXVQIXMEHXGYMQ-OAHLLOKOSA-N 0 0 442.976 4.031 50 0 IIAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)O1 ZINC000008735869 569472664 /nfs/dbraw/zinc/47/26/64/569472664.db2.gz CJEGSUMCBJYORQ-STQMWFEESA-N 0 0 443.352 4.044 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000008765171 569474706 /nfs/dbraw/zinc/47/47/06/569474706.db2.gz QDNHCZWKKOXVHF-NZQKXSOJSA-N 0 0 431.580 4.477 50 0 biogenic IIAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000008771276 569475150 /nfs/dbraw/zinc/47/51/50/569475150.db2.gz BDLQTVCEKVFSJF-UHFFFAOYSA-N 0 0 435.553 4.366 50 0 IIAARN O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000008780376 569475563 /nfs/dbraw/zinc/47/55/63/569475563.db2.gz BRDJVQSVWGSVEN-UHFFFAOYSA-N 0 0 427.595 4.287 50 0 IIAARN CC(C)NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000008781810 569475731 /nfs/dbraw/zinc/47/57/31/569475731.db2.gz ITCMLVHUAKSTCM-MQSUGXTHSA-N 0 0 436.511 4.221 50 0 IIAARN CCOc1cc2c(cc1[C@@H]1C=C3c4cc(OC)c(OC)cc4CCN3C(=O)C1)O[C@H](C)C2 ZINC000008790920 569476152 /nfs/dbraw/zinc/47/61/52/569476152.db2.gz UICXHDZYLYRUPS-NVXWUHKLSA-N 0 0 435.520 4.339 50 0 biogenic IIAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1C ZINC000008808494 569476487 /nfs/dbraw/zinc/47/64/87/569476487.db2.gz NCODWGZJVBUKBU-UHFFFAOYSA-N 0 0 427.570 4.380 50 0 IIAARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000008834484 569477916 /nfs/dbraw/zinc/47/79/16/569477916.db2.gz QMEFEZQCXXQBHG-QGZVFWFLSA-N 0 0 434.366 4.447 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000008836606 569478093 /nfs/dbraw/zinc/47/80/93/569478093.db2.gz YJXQBKJBPBUZLU-UHFFFAOYSA-N 0 0 444.516 4.056 50 0 IIAARN C[C@@H]1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000008844570 569478629 /nfs/dbraw/zinc/47/86/29/569478629.db2.gz JYWUIUFFHXLPLY-HUUCEWRRSA-N 0 0 432.929 4.441 50 0 IIAARN COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845718 569478954 /nfs/dbraw/zinc/47/89/54/569478954.db2.gz ZRCGRFDRAALKIZ-XMMPIXPASA-N 0 0 426.476 4.240 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846047 569479001 /nfs/dbraw/zinc/47/90/01/569479001.db2.gz LYZYSEPSFFVGQT-JOCHJYFZSA-N 0 0 428.444 4.038 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccccc1)N(C)C ZINC000008849976 569479306 /nfs/dbraw/zinc/47/93/06/569479306.db2.gz JVHSLIMXVYUKNH-JOCHJYFZSA-N 0 0 449.624 4.016 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3)cs2)c1 ZINC000008850075 569479310 /nfs/dbraw/zinc/47/93/10/569479310.db2.gz BXNXGIJWQROFQU-UHFFFAOYSA-N 0 0 440.550 4.014 50 0 IIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCc1nc(-c2ccccc2)no1 ZINC000008850601 569479333 /nfs/dbraw/zinc/47/93/33/569479333.db2.gz JYVUEHLFFZRUCM-UHFFFAOYSA-N 0 0 438.487 4.165 50 0 IIAARN COc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000008852903 569479531 /nfs/dbraw/zinc/47/95/31/569479531.db2.gz OOIYFPQRLKEPHF-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN COc1ccc(C(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)cc1Br ZINC000008854162 569479590 /nfs/dbraw/zinc/47/95/90/569479590.db2.gz LXNCEVGXEJRHIM-UHFFFAOYSA-N 0 0 445.212 4.107 50 0 IIAARN COc1ccc(CCNC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1OC ZINC000008854003 569479608 /nfs/dbraw/zinc/47/96/08/569479608.db2.gz MGBAFYRYSXUEPM-UHFFFAOYSA-N 0 0 446.569 4.493 50 0 IIAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC(=O)[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000008856592 569479815 /nfs/dbraw/zinc/47/98/15/569479815.db2.gz ROOGAUYECSHAAP-XLIONFOSSA-N 0 0 446.956 4.115 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000008861837 569480052 /nfs/dbraw/zinc/48/00/52/569480052.db2.gz XHTAATAXGQYVHV-OAHLLOKOSA-N 0 0 427.957 4.201 50 0 IIAARN Nn1cc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2Br)o1 ZINC000008862445 569480225 /nfs/dbraw/zinc/48/02/25/569480225.db2.gz KIAFDVSRUUZZLI-UHFFFAOYSA-N 0 0 428.315 4.369 50 0 IIAARN COc1cc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008869883 569480482 /nfs/dbraw/zinc/48/04/82/569480482.db2.gz IORWNQUKMIGZBK-JOCHJYFZSA-N 0 0 431.444 4.462 50 0 IIAARN CC(C)(C)c1ccc(CN(C(=O)/C=C/c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869687 569480491 /nfs/dbraw/zinc/48/04/91/569480491.db2.gz DYKQLWLXSUVQBT-SYZXBLONSA-N 0 0 429.557 4.352 50 0 IIAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3c[nH]c4ccc(OC)cc34)ccc12 ZINC000008877320 569481212 /nfs/dbraw/zinc/48/12/12/569481212.db2.gz QGRHXINRWYSJAB-UHFFFAOYSA-N 0 0 448.519 4.282 50 0 biogenic IIAARN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000008879852 569481368 /nfs/dbraw/zinc/48/13/68/569481368.db2.gz UHGJDHZOEREMIC-UHFFFAOYSA-N 0 0 436.249 4.265 50 0 IIAARN Cc1c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)sc2nc(C)nc(C)c12 ZINC000039549219 569481703 /nfs/dbraw/zinc/48/17/03/569481703.db2.gz JQXYIASSBIKIJB-UHFFFAOYSA-N 0 0 447.358 4.056 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)c(C)s2)C12CCCCC2 ZINC000039984523 569482327 /nfs/dbraw/zinc/48/23/27/569482327.db2.gz RJTAURJQAGGFMD-IBGZPJMESA-N 0 0 427.570 4.287 50 0 IIAARN C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000040002669 569482436 /nfs/dbraw/zinc/48/24/36/569482436.db2.gz UYXRSFSWFWGVJB-GHMZBOCLSA-N 0 0 442.397 4.448 50 0 IIAARN CNS(=O)(=O)Cc1ccccc1CNc1nc(C)nc2scc(-c3cccs3)c21 ZINC000040018066 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Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCSc3nccn3C)cc12 ZINC000009467776 569538422 /nfs/dbraw/zinc/53/84/22/569538422.db2.gz FFGXZFWAJTTWGJ-UHFFFAOYSA-N 0 0 431.974 4.304 50 0 IIAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)NC1CCCCC1 ZINC000009468270 569538580 /nfs/dbraw/zinc/53/85/80/569538580.db2.gz XVYOCVFMGBXDBS-UHFFFAOYSA-N 0 0 445.541 4.103 50 0 IIAARN CCCCn1nnnc1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000009468366 569538586 /nfs/dbraw/zinc/53/85/86/569538586.db2.gz IDZWXFYAKCAZOW-UHFFFAOYSA-N 0 0 427.484 4.291 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)N[C@@H](C)c2ccccn2)cc1Cl ZINC000009469446 569538782 /nfs/dbraw/zinc/53/87/82/569538782.db2.gz HIEDDQXTGKTHBK-HNNXBMFYSA-N 0 0 439.899 4.252 50 0 IIAARN CC[C@H](Cc1ccccc1)n1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C)[nH]n1 ZINC000009472772 569539010 /nfs/dbraw/zinc/53/90/10/569539010.db2.gz SSEPQICFIBWNIN-GOSISDBHSA-N 0 0 447.564 4.353 50 0 IIAARN O=S(=O)(c1ccc(Sc2nc(-c3cccnc3)nc3ccccc32)nc1)N1CCCC1 ZINC000009476755 569539119 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IIAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009514743 569543247 /nfs/dbraw/zinc/54/32/47/569543247.db2.gz WWHIVEPCQAKGOJ-LJQANCHMSA-N 0 0 437.471 4.333 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)c(OC)c1 ZINC000009517743 569543808 /nfs/dbraw/zinc/54/38/08/569543808.db2.gz DCMTURCIURENFH-UHFFFAOYSA-N 0 0 449.536 4.180 50 0 IIAARN Cc1cccc(C)c1NC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519473 569544304 /nfs/dbraw/zinc/54/43/04/569544304.db2.gz KYZYBGNGJHQZOR-UHFFFAOYSA-N 0 0 431.536 4.482 50 0 IIAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc2c(c1)CCCC2 ZINC000009529587 569544874 /nfs/dbraw/zinc/54/48/74/569544874.db2.gz JGUULSMYWXTKTD-UHFFFAOYSA-N 0 0 434.565 4.423 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCS[C@H]1c1ccccc1F ZINC000009534476 569545472 /nfs/dbraw/zinc/54/54/72/569545472.db2.gz NKNBPQJMGPQKBA-FQEVSTJZSA-N 0 0 441.557 4.180 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)c1ccccc1 ZINC000009535633 569545540 /nfs/dbraw/zinc/54/55/40/569545540.db2.gz NEPFOWQYPHIHIY-UHFFFAOYSA-N 0 0 426.501 4.254 50 0 IIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009544982 569546082 /nfs/dbraw/zinc/54/60/82/569546082.db2.gz CDDIKVRZXWCTIQ-UHFFFAOYSA-N 0 0 437.503 4.373 50 0 IIAARN CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2)cc1OC ZINC000009546187 569546235 /nfs/dbraw/zinc/54/62/35/569546235.db2.gz XKHJFUFXGUSVMC-VWLOTQADSA-N 0 0 436.552 4.339 50 0 IIAARN CC(=O)c1ccc(NC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000009547444 569546359 /nfs/dbraw/zinc/54/63/59/569546359.db2.gz VBGHXQBGIDYDBH-UHFFFAOYSA-N 0 0 429.428 4.386 50 0 biogenic IIAARN CCc1ccc2c(CC(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)coc2c1 ZINC000009548540 569546527 /nfs/dbraw/zinc/54/65/27/569546527.db2.gz VQWKEUXBBFLTHF-UHFFFAOYSA-N 0 0 434.492 4.144 50 0 IIAARN CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000009549170 569546536 /nfs/dbraw/zinc/54/65/36/569546536.db2.gz UMQPDYQENZJBDM-UHFFFAOYSA-N 0 0 431.584 4.382 50 0 IIAARN O=C(CSc1nnnn1Cc1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009550168 569546689 /nfs/dbraw/zinc/54/66/89/569546689.db2.gz GUEOPNSTFDGDSA-JOCHJYFZSA-N 0 0 449.967 4.373 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009556283 569546818 /nfs/dbraw/zinc/54/68/18/569546818.db2.gz GINQZXMYHWIXML-AREMUKBSSA-N 0 0 430.573 4.476 50 0 IIAARN COc1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000009556672 569546827 /nfs/dbraw/zinc/54/68/27/569546827.db2.gz JFLROUYVSUYVED-AREMUKBSSA-N 0 0 446.572 4.442 50 0 biogenic IIAARN COc1cc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc(OC)c1 ZINC000009561201 569547095 /nfs/dbraw/zinc/54/70/95/569547095.db2.gz NBHWZHJCYSFUJU-UHFFFAOYSA-N 0 0 425.448 4.269 50 0 IIAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000009561276 569547103 /nfs/dbraw/zinc/54/71/03/569547103.db2.gz LEFCLYHWEGQUAL-UHFFFAOYSA-N 0 0 433.903 4.020 50 0 IIAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1cc(F)ccc1F ZINC000009561773 569547163 /nfs/dbraw/zinc/54/71/63/569547163.db2.gz PDLBXMHRQSILBC-UHFFFAOYSA-N 0 0 434.402 4.008 50 0 IIAARN COc1ccc(C)cc1-n1c(SCC(=O)N2CCCC2)nc2sc(C)c(C)c2c1=O ZINC000009561824 569547170 /nfs/dbraw/zinc/54/71/70/569547170.db2.gz OYBVCMXVNNZEOZ-UHFFFAOYSA-N 0 0 443.594 4.096 50 0 IIAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)C1 ZINC000009562309 569547290 /nfs/dbraw/zinc/54/72/90/569547290.db2.gz HLGNTPWRYZIDKD-GJZGRUSLSA-N 0 0 443.519 4.261 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000009562813 569547321 /nfs/dbraw/zinc/54/73/21/569547321.db2.gz IBZHPGLGXQALPO-LJQANCHMSA-N 0 0 438.597 4.175 50 0 IIAARN COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1OC ZINC000009568848 569547437 /nfs/dbraw/zinc/54/74/37/569547437.db2.gz MYOGABWSNNMJTN-FQEVSTJZSA-N 0 0 446.507 4.374 50 0 IIAARN COc1ccc(CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C2CC2)cc1 ZINC000009579303 569548421 /nfs/dbraw/zinc/54/84/21/569548421.db2.gz LAPXVLMHZGMXLO-UHFFFAOYSA-N 0 0 439.515 4.258 50 0 IIAARN Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(=O)c1ccco1 ZINC000009579256 569548465 /nfs/dbraw/zinc/54/84/65/569548465.db2.gz MQEOFFKBIRTMPC-UHFFFAOYSA-N 0 0 445.519 4.396 50 0 IIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000009580667 569548838 /nfs/dbraw/zinc/54/88/38/569548838.db2.gz IYJZIQLUSDVJHZ-OXQOHEQNSA-N 0 0 430.595 4.074 50 0 IIAARN COc1cc(CN(C)C(=O)c2cc(=O)[nH]c3ccccc32)ccc1OCc1ccccc1 ZINC000009581863 569549165 /nfs/dbraw/zinc/54/91/65/569549165.db2.gz VRNZIOLQVHEZNL-UHFFFAOYSA-N 0 0 428.488 4.388 50 0 IIAARN COc1cccc(-c2nc(COC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000009581811 569549167 /nfs/dbraw/zinc/54/91/67/569549167.db2.gz JFUAZDNUKQFJFW-UHFFFAOYSA-N 0 0 440.565 4.195 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc2c(c1)OCCO2 ZINC000009582703 569549257 /nfs/dbraw/zinc/54/92/57/569549257.db2.gz WGFGADVYMMUDKI-UHFFFAOYSA-N 0 0 448.298 4.001 50 0 IIAARN O=C(Nc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1Cl)c1cccs1 ZINC000009587084 569549729 /nfs/dbraw/zinc/54/97/29/569549729.db2.gz OACVSRODNYLASJ-CQSZACIVSA-N 0 0 428.897 4.224 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009587340 569549762 /nfs/dbraw/zinc/54/97/62/569549762.db2.gz WNDSDFYXGAYGAS-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN CCCCn1c2nc(CSc3cccc(C(F)(F)F)c3)n(CC)c2c(=O)[nH]c1=O ZINC000009587725 569549819 /nfs/dbraw/zinc/54/98/19/569549819.db2.gz OSFDHADFZKZCFC-UHFFFAOYSA-N 0 0 426.464 4.017 50 0 IIAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009589253 569549929 /nfs/dbraw/zinc/54/99/29/569549929.db2.gz KQOWDGLGHTUYQE-UHFFFAOYSA-N 0 0 428.510 4.006 50 0 IIAARN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(-c2ccccc2)cc1 ZINC000009590681 569550016 /nfs/dbraw/zinc/55/00/16/569550016.db2.gz YPFIFFZRFWSUPO-CQSZACIVSA-N 0 0 427.298 4.316 50 0 IIAARN COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c(-c4cccs4)csc3[nH]1)CC2 ZINC000009594108 569550513 /nfs/dbraw/zinc/55/05/13/569550513.db2.gz GLWCKOJKROEVRA-UHFFFAOYSA-N 0 0 439.562 4.289 50 0 IIAARN CCOc1ccc(-c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2C)cc1 ZINC000009596963 569550836 /nfs/dbraw/zinc/55/08/36/569550836.db2.gz BEPCZHRPVQTAIE-UHFFFAOYSA-N 0 0 430.551 4.102 50 0 IIAARN O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009597780 569550920 /nfs/dbraw/zinc/55/09/20/569550920.db2.gz MEZWGIBOUYJXMG-UHFFFAOYSA-N 0 0 448.953 4.456 50 0 IIAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cccs2)cc1 ZINC000009597792 569550959 /nfs/dbraw/zinc/55/09/59/569550959.db2.gz APSWQRDNKQTXCN-UHFFFAOYSA-N 0 0 428.535 4.111 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 ZINC000009598690 569551038 /nfs/dbraw/zinc/55/10/38/569551038.db2.gz QAIBRBCOMAJIQN-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c(C)c1 ZINC000009598687 569551082 /nfs/dbraw/zinc/55/10/82/569551082.db2.gz GCADYHVIXRWKTN-UHFFFAOYSA-N 0 0 447.560 4.395 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)NCc1ccco1 ZINC000009600014 569551403 /nfs/dbraw/zinc/55/14/03/569551403.db2.gz ITXWTXQBUJZTOU-UHFFFAOYSA-N 0 0 443.337 4.099 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)NC1CCCCC1 ZINC000009600083 569551440 /nfs/dbraw/zinc/55/14/40/569551440.db2.gz GYBJVTXPYJTPTB-UHFFFAOYSA-N 0 0 444.504 4.350 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000009608460 569552128 /nfs/dbraw/zinc/55/21/28/569552128.db2.gz UXULNGMYLVXQPQ-NRFANRHFSA-N 0 0 441.597 4.433 50 0 IIAARN CCOc1ccc(-n2c(=O)c3c(C)c(C(C)=O)sc3n(Cc3ccccc3C)c2=O)cc1 ZINC000009615007 569553166 /nfs/dbraw/zinc/55/31/66/569553166.db2.gz BUDGAUAHXCITQX-UHFFFAOYSA-N 0 0 448.544 4.480 50 0 IIAARN COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCC4)c1 ZINC000009615332 569553219 /nfs/dbraw/zinc/55/32/19/569553219.db2.gz VOSWJUKZPROYEE-UHFFFAOYSA-N 0 0 432.545 4.458 50 0 IIAARN CCCc1ccc(Oc2coc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3c2=O)cc1 ZINC000009630744 569553628 /nfs/dbraw/zinc/55/36/28/569553628.db2.gz XYRKMDJAZOXKFM-FQEVSTJZSA-N 0 0 437.492 4.212 50 0 IIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009632625 569554004 /nfs/dbraw/zinc/55/40/04/569554004.db2.gz OQNOTNDIJRZYDY-UHFFFAOYSA-N 0 0 448.588 4.423 50 0 IIAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC2CC2)CCCC4)cc1C ZINC000009632542 569554018 /nfs/dbraw/zinc/55/40/18/569554018.db2.gz GNXDDIFVYKKTNO-UHFFFAOYSA-N 0 0 439.606 4.314 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009633137 569554154 /nfs/dbraw/zinc/55/41/54/569554154.db2.gz QHBHLYIXMRBGIS-UHFFFAOYSA-N 0 0 434.945 4.360 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000009633257 569554215 /nfs/dbraw/zinc/55/42/15/569554215.db2.gz SWFIVWMXRZQZHX-UHFFFAOYSA-N 0 0 433.460 4.039 50 0 IIAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000009634074 569554377 /nfs/dbraw/zinc/55/43/77/569554377.db2.gz BWLQMDVRVKVCDL-RUZDIDTESA-N 0 0 428.513 4.286 50 0 IIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C2=O ZINC000009635011 569554567 /nfs/dbraw/zinc/55/45/67/569554567.db2.gz FGXAWHUCWDIHRB-HRFSGMKKSA-N 0 0 447.579 4.352 50 0 IIAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)s1 ZINC000009641065 569555561 /nfs/dbraw/zinc/55/55/61/569555561.db2.gz NDOVXCQDUBXGDR-LBPRGKRZSA-N 0 0 443.554 4.368 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000009643346 569555981 /nfs/dbraw/zinc/55/59/81/569555981.db2.gz QKPJYPGRHXEPCZ-QUGAMOGWSA-N 0 0 447.535 4.115 50 0 IIAARN COc1ccc2c(c1)c(CC(=O)NC[C@@H]1CCCO1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000009646718 569556317 /nfs/dbraw/zinc/55/63/17/569556317.db2.gz DZEDCFSHVWBUME-IBGZPJMESA-N 0 0 440.927 4.138 50 0 IIAARN CC(C)Sc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)c1 ZINC000009660510 569556809 /nfs/dbraw/zinc/55/68/09/569556809.db2.gz DZRNBUBPVCMLMG-UHFFFAOYSA-N 0 0 435.596 4.299 50 0 IIAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000009660485 569556847 /nfs/dbraw/zinc/55/68/47/569556847.db2.gz SVQQFLNFBFTPIF-UHFFFAOYSA-N 0 0 435.281 4.104 50 0 IIAARN O=C(Nc1nc2c(cccc2Cl)s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009663869 569557288 /nfs/dbraw/zinc/55/72/88/569557288.db2.gz ZKVCLTWZHLXMDI-GFCCVEGCSA-N 0 0 441.987 4.193 50 0 IIAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)=O)cc3)C2=O)c1 ZINC000009663809 569557324 /nfs/dbraw/zinc/55/73/24/569557324.db2.gz YXKMRNHGKQXJDS-UHFFFAOYSA-N 0 0 436.489 4.233 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)n1C[C@H]1CCCO1 ZINC000009664109 569557354 /nfs/dbraw/zinc/55/73/54/569557354.db2.gz BSYUPDUQBUSZRH-OAQYLSRUSA-N 0 0 435.524 4.126 50 0 IIAARN COc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)cc1F ZINC000009669498 569558061 /nfs/dbraw/zinc/55/80/61/569558061.db2.gz HKQJCSYEHRGAFJ-UHFFFAOYSA-N 0 0 436.530 4.442 50 0 IIAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000009670577 569558327 /nfs/dbraw/zinc/55/83/27/569558327.db2.gz BRLHZCGQIOMFEW-UHFFFAOYSA-N 0 0 449.532 4.235 50 0 IIAARN 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COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)/C=C/c1ccccc1 ZINC000012389691 522059519 /nfs/dbraw/zinc/05/95/19/522059519.db2.gz STIXKBJUCKYOSV-CCEZHUSRSA-N 0 0 438.549 4.236 50 0 IIAARN COCCn1c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605460 522077785 /nfs/dbraw/zinc/07/77/85/522077785.db2.gz YSWINLZMWGKRFX-UHFFFAOYSA-N 0 0 447.385 4.388 50 0 IIAARN CC[C@H](C)n1nccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012601436 522083537 /nfs/dbraw/zinc/08/35/37/522083537.db2.gz CAHGZNQJELVEMW-HNNXBMFYSA-N 0 0 438.981 4.325 50 0 IIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cc(Cl)ccc2F)cc1 ZINC000020723353 522105430 /nfs/dbraw/zinc/10/54/30/522105430.db2.gz ABLWYUPZTCLMQE-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000035684638 522113771 /nfs/dbraw/zinc/11/37/71/522113771.db2.gz YGBPBTHFPGBFCO-KRWDZBQOSA-N 0 0 438.871 4.470 50 0 IIAARN CCc1nc(-c2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)c(C)s2)no1 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4.185 50 0 IIAARN COc1cc(OC)cc([C@H](NC(=O)Cc2c(Cl)cccc2Cl)c2nccn2C)c1 ZINC000012507394 522883821 /nfs/dbraw/zinc/88/38/21/522883821.db2.gz HQXYJIXMDFQCLV-FQEVSTJZSA-N 0 0 434.323 4.192 50 0 IIAARN COC(=O)C1=C(NCCc2c[nH]c3ccccc23)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000022172750 522895122 /nfs/dbraw/zinc/89/51/22/522895122.db2.gz QGLQPQSUYKIURL-RPWUZVMVSA-N 0 0 444.531 4.260 50 0 IIAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000021935510 522914109 /nfs/dbraw/zinc/91/41/09/522914109.db2.gz JQXLAPLLTLPPGX-PXAZEXFGSA-N 0 0 426.929 4.469 50 0 IIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1O ZINC000020891174 522932446 /nfs/dbraw/zinc/93/24/46/522932446.db2.gz SEUMZTNZAZRDGX-IBGZPJMESA-N 0 0 438.534 4.279 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000036048403 523036024 /nfs/dbraw/zinc/03/60/24/523036024.db2.gz SDMSSPJUVNOAOB-HXUWFJFHSA-N 0 0 443.519 4.137 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(F)c1)CC2 ZINC000036043182 523037631 /nfs/dbraw/zinc/03/76/31/523037631.db2.gz IJNZBJPTNIIBOY-WAIKUNEKSA-N 0 0 443.563 4.429 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nnn(C(C)(C)C)c1=S)CC2 ZINC000012893554 523044549 /nfs/dbraw/zinc/04/45/49/523044549.db2.gz KXOYNPSYSZPQSC-OAQYLSRUSA-N 0 0 439.585 4.186 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)N(Cc1cccc(F)c1)CC2 ZINC000036040992 523047018 /nfs/dbraw/zinc/04/70/18/523047018.db2.gz WGWJIHJRAQDIRQ-DEOSSOPVSA-N 0 0 448.538 4.301 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)N1CCc2ccccc21 ZINC000021935946 523078075 /nfs/dbraw/zinc/07/80/75/523078075.db2.gz UYQIPRHOBQWYAX-NHCUHLMSSA-N 0 0 446.576 4.402 50 0 IIAARN CCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000012861422 523106745 /nfs/dbraw/zinc/10/67/45/523106745.db2.gz PUOSQEFQYKNINZ-ZDUSSCGKSA-N 0 0 440.407 4.305 50 0 IIAARN CCn1c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2ccc(F)cc2)c(C)c1C(=O)OC 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KDVBKVRSGDAIEI-QGZVFWFLSA-N 0 0 446.898 4.169 50 0 IIAARN COc1ccc(-c2csc3ncn(C[C@H](O)COc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000012916655 523173106 /nfs/dbraw/zinc/17/31/06/523173106.db2.gz NDPLWJHIJGMGMG-INIZCTEOSA-N 0 0 442.924 4.227 50 0 IIAARN CCn1c(CSc2nc(C)cs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012602486 523202781 /nfs/dbraw/zinc/20/27/81/523202781.db2.gz ZZMDSOLZRCSKSQ-UHFFFAOYSA-N 0 0 436.628 4.288 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nn2cnc3ccccc32)cc1OC ZINC000012798096 523243167 /nfs/dbraw/zinc/24/31/67/523243167.db2.gz JADSKXIJLKPNKN-UHFFFAOYSA-N 0 0 439.475 4.290 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000035684889 523249665 /nfs/dbraw/zinc/24/96/65/523249665.db2.gz XDXAAMLKJRIXHJ-INIZCTEOSA-N 0 0 430.386 4.456 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000035271327 523265578 /nfs/dbraw/zinc/26/55/78/523265578.db2.gz HIAQBEJTDHKXMA-JLSDUUJJSA-N 0 0 445.589 4.017 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)CSc3ccccc3)C(C)C)n2)cc1OC ZINC000012654611 523284837 /nfs/dbraw/zinc/28/48/37/523284837.db2.gz YACGVZFXNCMSEB-UHFFFAOYSA-N 0 0 427.526 4.283 50 0 IIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012582429 523310021 /nfs/dbraw/zinc/31/00/21/523310021.db2.gz MMTZBFCBRSSASJ-HXUWFJFHSA-N 0 0 425.525 4.304 50 0 IIAARN CN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000015680796 523332151 /nfs/dbraw/zinc/33/21/51/523332151.db2.gz KSFBEAHCDPLOFA-UHFFFAOYSA-N 0 0 432.545 4.274 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000034685359 523339464 /nfs/dbraw/zinc/33/94/64/523339464.db2.gz MUVCKZMHWRITIM-UHFFFAOYSA-N 0 0 441.000 4.391 50 0 IIAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)NCCc3ccccc3)c2s1 ZINC000035534150 523354674 /nfs/dbraw/zinc/35/46/74/523354674.db2.gz STTCHUDEFDKFOF-UHFFFAOYSA-N 0 0 449.605 4.174 50 0 IIAARN CN(Cc1ccccc1F)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000012818871 523369017 /nfs/dbraw/zinc/36/90/17/523369017.db2.gz PQXWECVUBZAWGV-INIZCTEOSA-N 0 0 446.573 4.075 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC(n3c4ncccc4nc3[C@H]3CCCO3)CC2)cc1 ZINC000012508369 523384418 /nfs/dbraw/zinc/38/44/18/523384418.db2.gz IVEWWWPKQOPSDJ-YVWYTEFXSA-N 0 0 432.524 4.168 50 0 IIAARN CCn1cc(Cn2cc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cn2)c(C)n1 ZINC000020616300 523401005 /nfs/dbraw/zinc/40/10/05/523401005.db2.gz RNZQNSRSGGVQEP-UHFFFAOYSA-N 0 0 445.552 4.417 50 0 IIAARN COc1ccc(/C=C2\N=C3SCN(c4cc(Cl)ccc4OC)CN3C2=O)cc1OC ZINC000012324323 523418601 /nfs/dbraw/zinc/41/86/01/523418601.db2.gz AVSIEFVWDKEKBV-NVNXTCNLSA-N 0 0 445.928 4.073 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCc3ccc(C)cc3)C2=O)cc1 ZINC000020180612 523424562 /nfs/dbraw/zinc/42/45/62/523424562.db2.gz KIPFVFRJQCYUFG-UQQQWYQISA-N 0 0 442.515 4.129 50 0 IIAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000012921441 523445748 /nfs/dbraw/zinc/44/57/48/523445748.db2.gz HJGRATCHNOXZJB-FQEVSTJZSA-N 0 0 446.638 4.302 50 0 IIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)ccc21 ZINC000021938026 523496446 /nfs/dbraw/zinc/49/64/46/523496446.db2.gz DTWVCBUPQPGZAS-OAQYLSRUSA-N 0 0 443.613 4.069 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccc(OC)c(Br)c3)CC2)cc1 ZINC000012741616 523576190 /nfs/dbraw/zinc/57/61/90/523576190.db2.gz HCRGOIZNHNUPFW-UHFFFAOYSA-N 0 0 432.314 4.201 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccccc2)cc1 ZINC000035961639 523599415 /nfs/dbraw/zinc/59/94/15/523599415.db2.gz GSNLCSDYVWXSCZ-XMMPIXPASA-N 0 0 445.494 4.284 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)c2ccccc12 ZINC000012915541 523634859 /nfs/dbraw/zinc/63/48/59/523634859.db2.gz GGRLRSPATRKIBQ-GOSISDBHSA-N 0 0 445.519 4.298 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000023057418 523654454 /nfs/dbraw/zinc/65/44/54/523654454.db2.gz WGKJFMPFGADOQF-UHFFFAOYSA-N 0 0 430.533 4.329 50 0 IIAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000012814484 523657599 /nfs/dbraw/zinc/65/75/99/523657599.db2.gz ZGTDOVBFDRWMFD-UHFFFAOYSA-N 0 0 434.536 4.195 50 0 IIAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC000021296771 523698863 /nfs/dbraw/zinc/69/88/63/523698863.db2.gz IIXJIKDGCYPXOQ-UHFFFAOYSA-N 0 0 438.582 4.267 50 0 IIAARN CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc21 ZINC000021938563 523725427 /nfs/dbraw/zinc/72/54/27/523725427.db2.gz YMNGTCNVYPZBAW-OAQYLSRUSA-N 0 0 436.943 4.129 50 0 IIAARN CN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CCCCCC1 ZINC000012856927 523792009 /nfs/dbraw/zinc/79/20/09/523792009.db2.gz VVQABWGOPVKWPD-UHFFFAOYSA-N 0 0 446.535 4.287 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C12CCCCC2 ZINC000020715704 523810908 /nfs/dbraw/zinc/81/09/08/523810908.db2.gz AHXYNOAQGXXBGL-HSZRJFAPSA-N 0 0 449.551 4.172 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000035947614 523875938 /nfs/dbraw/zinc/87/59/38/523875938.db2.gz XMIXYVJXLHYVAE-HSZRJFAPSA-N 0 0 437.515 4.161 50 0 IIAARN COc1ccc(C2=NO[C@](C)([C@@H]3CC(=O)[C@@]4(C)C(c5ccc(OC)cc5)=NO[C@H]4C3)C2)cc1 ZINC000012402122 523880806 /nfs/dbraw/zinc/88/08/06/523880806.db2.gz LIADFWPROBIAMI-DEDYZTHKSA-N 0 0 448.519 4.375 50 0 IIAARN COc1ccc(CCC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035399520 523917068 /nfs/dbraw/zinc/91/70/68/523917068.db2.gz ODJYVFQBJXXLIE-UHFFFAOYSA-N 0 0 431.536 4.371 50 0 biogenic IIAARN COc1ccc(CCN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000012904726 523938720 /nfs/dbraw/zinc/93/87/20/523938720.db2.gz GCCURGLWBSKABZ-UHFFFAOYSA-N 0 0 433.504 4.015 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000012931874 523941670 /nfs/dbraw/zinc/94/16/70/523941670.db2.gz ZXKVNIRJHDZGSL-INIZCTEOSA-N 0 0 442.357 4.376 50 0 IIAARN CCc1ccc(N(Cc2ccc(F)cc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000020867460 523961060 /nfs/dbraw/zinc/96/10/60/523961060.db2.gz RTZPPWPXGGEAEC-RBUKOAKNSA-N 0 0 438.977 4.317 50 0 IIAARN CC[C@H](C)N1Cc2cc(NC(=O)c3c(OC)cccc3OC)ccc2O[C@H](CC)C1=O ZINC000035908957 523961408 /nfs/dbraw/zinc/96/14/08/523961408.db2.gz JVXQNFXVGCQUBY-MAUKXSAKSA-N 0 0 426.513 4.254 50 0 IIAARN CCc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 ZINC000012413360 523964199 /nfs/dbraw/zinc/96/41/99/523964199.db2.gz UQPYLDMOGIHUFC-IBGZPJMESA-N 0 0 426.314 4.009 50 0 IIAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1 ZINC000033288314 524008835 /nfs/dbraw/zinc/00/88/35/524008835.db2.gz RUCCMGUVBQKNPC-UHFFFAOYSA-N 0 0 446.551 4.373 50 0 IIAARN CCc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4)nc23)cc1 ZINC000035424862 524009331 /nfs/dbraw/zinc/00/93/31/524009331.db2.gz WCVLTFMOVBIKFN-UHFFFAOYSA-N 0 0 439.475 4.038 50 0 IIAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000012390344 524013154 /nfs/dbraw/zinc/01/31/54/524013154.db2.gz GARNEVOIJMCGJQ-OAQYLSRUSA-N 0 0 425.550 4.335 50 0 IIAARN CN(C)C(=O)[C@H]1CCCN1Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000012562994 524017054 /nfs/dbraw/zinc/01/70/54/524017054.db2.gz OZZOMCNSMYULAC-LJQANCHMSA-N 0 0 441.988 4.234 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858475 524021188 /nfs/dbraw/zinc/02/11/88/524021188.db2.gz IFDNRSJPHLOYAQ-AREMUKBSSA-N 0 0 433.552 4.227 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)c2ccccc2)c1C ZINC000036004093 524022867 /nfs/dbraw/zinc/02/28/67/524022867.db2.gz YGYNIYOIEZWHME-QGZVFWFLSA-N 0 0 436.483 4.471 50 0 IIAARN COc1ccc(CN2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)c(OC)c1 ZINC000012245605 524035781 /nfs/dbraw/zinc/03/57/81/524035781.db2.gz BHMCQMNHJBDRBS-HHHXNRCGSA-N 0 0 449.547 4.385 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3cccnc3-c3ccccc3C)CC2)cc1 ZINC000021654416 524046375 /nfs/dbraw/zinc/04/63/75/524046375.db2.gz LUQSLGBHEXQVJX-UHFFFAOYSA-N 0 0 443.547 4.234 50 0 IIAARN COc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000035528883 524046899 /nfs/dbraw/zinc/04/68/99/524046899.db2.gz AELJIOXTGPEBMW-UHFFFAOYSA-N 0 0 445.947 4.308 50 0 IIAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)c(OC)c1 ZINC000012297272 524047732 /nfs/dbraw/zinc/04/77/32/524047732.db2.gz YTWFZNXCYCLGIH-FQEVSTJZSA-N 0 0 428.573 4.229 50 0 IIAARN COc1ccc(CNC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1OC ZINC000012743865 524051124 /nfs/dbraw/zinc/05/11/24/524051124.db2.gz LUEVKFFFMOCJHG-QFIPXVFZSA-N 0 0 428.579 4.091 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)c(OC)c1 ZINC000035398193 524062810 /nfs/dbraw/zinc/06/28/10/524062810.db2.gz QDMOOIIBZCPRLE-OAQYLSRUSA-N 0 0 446.551 4.002 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012920434 524067686 /nfs/dbraw/zinc/06/76/86/524067686.db2.gz JCGJPOSOLBHJGU-UHFFFAOYSA-N 0 0 434.506 4.376 50 0 IIAARN C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000012759730 524099887 /nfs/dbraw/zinc/09/98/87/524099887.db2.gz RKLQJLQHCKOEJJ-LBPRGKRZSA-N 0 0 441.384 4.050 50 0 IIAARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)c1OC ZINC000001174865 524108983 /nfs/dbraw/zinc/10/89/83/524108983.db2.gz RVQILFJXFPRVCM-JOCHJYFZSA-N 0 0 436.483 4.450 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045813 524121855 /nfs/dbraw/zinc/12/18/55/524121855.db2.gz YLJSQQSOVGMRMW-LOSJGSFVSA-N 0 0 446.522 4.315 50 0 IIAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022908244 524131499 /nfs/dbraw/zinc/13/14/99/524131499.db2.gz BWGVBOLTBDNGDE-JOCHJYFZSA-N 0 0 433.577 4.219 50 0 IIAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 ZINC000009390554 524137886 /nfs/dbraw/zinc/13/78/86/524137886.db2.gz HVEVLNLANAGUHQ-UHFFFAOYSA-N 0 0 442.471 4.208 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)c1 ZINC000035531813 524138549 /nfs/dbraw/zinc/13/85/49/524138549.db2.gz CXOVJKRRFPCKAW-UHFFFAOYSA-N 0 0 441.582 4.109 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000021811268 524140092 /nfs/dbraw/zinc/14/00/92/524140092.db2.gz DIFIFTKIBVPJHW-ZTEVPRNISA-N 0 0 433.552 4.386 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1cccc(F)c1 ZINC000035538494 524141575 /nfs/dbraw/zinc/14/15/75/524141575.db2.gz JMBVPYPTGRIMPS-GSQWSPMESA-N 0 0 437.515 4.483 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000032949247 524155540 /nfs/dbraw/zinc/15/55/40/524155540.db2.gz XZRWSQWALPUXDV-HXUWFJFHSA-N 0 0 449.503 4.025 50 0 biogenic IIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@@H]3CCCO3)CC(C)C)no2)c(C)c1 ZINC000036015871 524209671 /nfs/dbraw/zinc/20/96/71/524209671.db2.gz VSPADQIENRQQIZ-FQEVSTJZSA-N 0 0 441.572 4.050 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000020889147 524247453 /nfs/dbraw/zinc/24/74/53/524247453.db2.gz FCYXQXJXAQWIHZ-LJQANCHMSA-N 0 0 434.561 4.189 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c1C ZINC000012754213 524252165 /nfs/dbraw/zinc/25/21/65/524252165.db2.gz JXOSXODCDILGAI-UHFFFAOYSA-N 0 0 440.609 4.300 50 0 IIAARN COc1cccc2cc(C(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)c(=O)oc21 ZINC000001080868 524257975 /nfs/dbraw/zinc/25/79/75/524257975.db2.gz AQODISXMILYBPS-UHFFFAOYSA-N 0 0 433.291 4.071 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022039303 524279579 /nfs/dbraw/zinc/27/95/79/524279579.db2.gz RQOUEMHKNUZUAP-FQEVSTJZSA-N 0 0 443.547 4.227 50 0 IIAARN Cc1ccc(CCC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC000022068525 524304884 /nfs/dbraw/zinc/30/48/84/524304884.db2.gz XAQUSFWWRREICC-UHFFFAOYSA-N 0 0 440.609 4.265 50 0 IIAARN Cc1cccc(C)c1OCc1nc2c3cnn(-c4cccc(Br)c4)c3ncn2n1 ZINC000021168149 524321457 /nfs/dbraw/zinc/32/14/57/524321457.db2.gz ZJJCZELYFYNBSM-UHFFFAOYSA-N 0 0 449.312 4.422 50 0 IIAARN Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000016903664 524322253 /nfs/dbraw/zinc/32/22/53/524322253.db2.gz LEFXSKJYDIPPPY-VQTJNVASSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCc4ccco4)cc3)c2n1 ZINC000020992834 524342005 /nfs/dbraw/zinc/34/20/05/524342005.db2.gz VNCDQZLPDOMCJV-UHFFFAOYSA-N 0 0 425.492 4.410 50 0 IIAARN Cc1cc(C)c2c(n1)nc(S[C@H](C)C(=O)Nc1ccc(Br)cc1)[nH]c2=O ZINC000012760201 524342253 /nfs/dbraw/zinc/34/22/53/524342253.db2.gz DIIDQHVQWPKIIQ-LLVKDONJSA-N 0 0 433.331 4.229 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)CSc1ccccc1 ZINC000012523436 524347795 /nfs/dbraw/zinc/34/77/95/524347795.db2.gz QDIGQHCKPSBPOF-UHFFFAOYSA-N 0 0 441.578 4.116 50 0 IIAARN COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000035684873 524358916 /nfs/dbraw/zinc/35/89/16/524358916.db2.gz FFSRGAUYDVJMIW-VLGSPTGOSA-N 0 0 448.544 4.092 50 0 IIAARN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccco2)CC3)c1 ZINC000020917521 524370029 /nfs/dbraw/zinc/37/00/29/524370029.db2.gz ISDXVQLGWDXZTK-QFIPXVFZSA-N 0 0 435.572 4.063 50 0 IIAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)COc2ccccc2)C1 ZINC000035839307 524373085 /nfs/dbraw/zinc/37/30/85/524373085.db2.gz RITRMVLADLYQSX-QFIPXVFZSA-N 0 0 448.494 4.435 50 0 IIAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1 ZINC000035912327 524389690 /nfs/dbraw/zinc/38/96/90/524389690.db2.gz ZSLAZLDYQUTOOM-XMMPIXPASA-N 0 0 448.500 4.455 50 0 IIAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2c(C)cccc2C)CC3)cc1 ZINC000034927483 524389856 /nfs/dbraw/zinc/38/98/56/524389856.db2.gz PIJLPUOKEWWYJX-UHFFFAOYSA-N 0 0 425.554 4.416 50 0 IIAARN C[C@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012737688 524390170 /nfs/dbraw/zinc/39/01/70/524390170.db2.gz STKVPDAIWUWIIZ-QGZVFWFLSA-N 0 0 426.513 4.089 50 0 IIAARN COc1ccccc1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035528895 524411208 /nfs/dbraw/zinc/41/12/08/524411208.db2.gz WIDTUQUGUYDIEG-UHFFFAOYSA-N 0 0 429.948 4.342 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3)ccc2O[C@@H](C)C1=O ZINC000035884818 524411531 /nfs/dbraw/zinc/41/15/31/524411531.db2.gz OURFKXJYVQHXRO-SFHVURJKSA-N 0 0 430.504 4.300 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)c1 ZINC000022767945 524422476 /nfs/dbraw/zinc/42/24/76/524422476.db2.gz RIMZJXWARJGQGX-UHFFFAOYSA-N 0 0 447.926 4.369 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)c1 ZINC000012140716 524423675 /nfs/dbraw/zinc/42/36/75/524423675.db2.gz RDAPDXYWUHGJEF-UHFFFAOYSA-N 0 0 439.471 4.154 50 0 IIAARN COc1ccccc1CN(C)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012926638 524425686 /nfs/dbraw/zinc/42/56/86/524425686.db2.gz BTOWMINJJWJTGG-UHFFFAOYSA-N 0 0 447.560 4.491 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862643 524432097 /nfs/dbraw/zinc/43/20/97/524432097.db2.gz SGAZXZASGICXTO-HHHXNRCGSA-N 0 0 444.579 4.220 50 0 IIAARN COc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c(OC)c1 ZINC000020722706 524444657 /nfs/dbraw/zinc/44/46/57/524444657.db2.gz WYHBUHOBJXDHRX-ZDUSSCGKSA-N 0 0 433.386 4.293 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021858585 524445033 /nfs/dbraw/zinc/44/50/33/524445033.db2.gz ZIFDBXHPLLYQRJ-SANMLTNESA-N 0 0 433.552 4.227 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021857000 524445096 /nfs/dbraw/zinc/44/50/96/524445096.db2.gz PCCYJSGVZJWPOA-AREMUKBSSA-N 0 0 431.536 4.123 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526549 524446818 /nfs/dbraw/zinc/44/68/18/524446818.db2.gz DCCDLHHTUDKJLT-SANMLTNESA-N 0 0 449.551 4.497 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccc(C)cc2)cc1 ZINC000033291119 524450762 /nfs/dbraw/zinc/45/07/62/524450762.db2.gz UEICUIFFPDXXNW-JCMHNJIXSA-N 0 0 446.503 4.430 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)C(C)C)cs2)c1 ZINC000034905493 524453857 /nfs/dbraw/zinc/45/38/57/524453857.db2.gz WTLGWKIOMXCRFS-RTBURBONSA-N 0 0 429.586 4.152 50 0 IIAARN COc1ccccc1CNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562019 524461144 /nfs/dbraw/zinc/46/11/44/524461144.db2.gz DRAXSFLLNRDDEE-UHFFFAOYSA-N 0 0 439.943 4.389 50 0 IIAARN COc1ccccc1CNC(=O)CCn1nc(-c2ccccc2OC)c2c1nc(C)cc2C ZINC000020437650 524461204 /nfs/dbraw/zinc/46/12/04/524461204.db2.gz QBVYEPGCOPMNPC-UHFFFAOYSA-N 0 0 444.535 4.439 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CSc3ccccn3)C2)c(C)c1 ZINC000011937266 524482351 /nfs/dbraw/zinc/48/23/51/524482351.db2.gz PEMHMBJVVVAZCV-SFHVURJKSA-N 0 0 427.570 4.148 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3cccnc3)C2)cc1Cl ZINC000012320339 524483122 /nfs/dbraw/zinc/48/31/22/524483122.db2.gz WQVGTXQBRXXRIQ-SFHVURJKSA-N 0 0 429.948 4.334 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000035528379 524498174 /nfs/dbraw/zinc/49/81/74/524498174.db2.gz VGIYQULJFPYTAV-UHFFFAOYSA-N 0 0 428.458 4.490 50 0 IIAARN Cc1ccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000035533639 524508855 /nfs/dbraw/zinc/50/88/55/524508855.db2.gz ACYIXJOSZAPBQS-HNNXBMFYSA-N 0 0 427.599 4.040 50 0 IIAARN COc1ccccc1N(CC(=O)N(C(C)C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012804806 524527577 /nfs/dbraw/zinc/52/75/77/524527577.db2.gz FWEWEVCLLTZEFT-UHFFFAOYSA-N 0 0 438.977 4.189 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033011974 524531785 /nfs/dbraw/zinc/53/17/85/524531785.db2.gz FRRDFMBKTZANHQ-HNNXBMFYSA-N 0 0 426.567 4.020 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(CN3c4cc(-c5ccccc5)nn4CCC3=O)cc2)o1 ZINC000021531120 524558577 /nfs/dbraw/zinc/55/85/77/524558577.db2.gz DDWBQWVEEQPARN-UHFFFAOYSA-N 0 0 440.503 4.318 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000012860263 524564342 /nfs/dbraw/zinc/56/43/42/524564342.db2.gz RFONRNBAQYWOOB-OAQYLSRUSA-N 0 0 441.531 4.225 50 0 IIAARN COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)CC1 ZINC000020662144 524565886 /nfs/dbraw/zinc/56/58/86/524565886.db2.gz UVKXBIPSWFDWEL-UHFFFAOYSA-N 0 0 434.931 4.113 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1 ZINC000021795570 524580038 /nfs/dbraw/zinc/58/00/38/524580038.db2.gz QAKHAFFALNVJAE-UHFFFAOYSA-N 0 0 434.500 4.018 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1OC ZINC000022485654 524594636 /nfs/dbraw/zinc/59/46/36/524594636.db2.gz KAPSTSQJZHUGJM-GOSISDBHSA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccccc1NC(=O)CSc1ncnc2nc(N3CCC(C)CC3)sc21 ZINC000035533314 524599656 /nfs/dbraw/zinc/59/96/56/524599656.db2.gz VYEJJAAYJIRFOJ-UHFFFAOYSA-N 0 0 429.571 4.062 50 0 IIAARN COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3ccccc3n2)cs1 ZINC000022109920 524603907 /nfs/dbraw/zinc/60/39/07/524603907.db2.gz LPABIXOATRNJGG-UHFFFAOYSA-N 0 0 433.489 4.238 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)c(OC)c1 ZINC000020722758 524613315 /nfs/dbraw/zinc/61/33/15/524613315.db2.gz LUCUUEZBVASEHY-QGZVFWFLSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000021156831 524616541 /nfs/dbraw/zinc/61/65/41/524616541.db2.gz LWAKMZXQDZEICV-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(C)cc1 ZINC000020617363 524626796 /nfs/dbraw/zinc/62/67/96/524626796.db2.gz UUJMBERBWBDAHF-RFBIWTDZSA-N 0 0 429.476 4.430 50 0 IIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC3=CCCCC3)s2)cc1 ZINC000032987795 524658782 /nfs/dbraw/zinc/65/87/82/524658782.db2.gz FXRBTCGOWWLOOV-UHFFFAOYSA-N 0 0 428.558 4.128 50 0 IIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4ccccc4C)CC3)s2)cc1 ZINC000033272841 524658891 /nfs/dbraw/zinc/65/88/91/524658891.db2.gz QFTQUWJHKWVYJB-UHFFFAOYSA-N 0 0 436.537 4.127 50 0 IIAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1 ZINC000033113093 524660487 /nfs/dbraw/zinc/66/04/87/524660487.db2.gz RHJQIMQXDQBVSS-OAHLLOKOSA-N 0 0 437.525 4.211 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)c2)c1 ZINC000033308629 524663316 /nfs/dbraw/zinc/66/33/16/524663316.db2.gz LDSLANYANIWQFF-SFHVURJKSA-N 0 0 431.467 4.378 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012761410 524667333 /nfs/dbraw/zinc/66/73/33/524667333.db2.gz NNSHHSLMOOLMOC-XMMPIXPASA-N 0 0 435.549 4.301 50 0 IIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000011914338 524688886 /nfs/dbraw/zinc/68/88/86/524688886.db2.gz UARLMKBPXMWTFB-NSHDSACASA-N 0 0 434.315 4.382 50 0 IIAARN C[C@@H](CNC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)c1ccccc1 ZINC000015006067 524729297 /nfs/dbraw/zinc/72/92/97/524729297.db2.gz GWZPEOUDTZBZFG-SFHVURJKSA-N 0 0 435.568 4.169 50 0 IIAARN COc1ccc(OC)c(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccc(F)c3)no2)c1 ZINC000036012550 524791937 /nfs/dbraw/zinc/79/19/37/524791937.db2.gz IQILGQLJFISIEW-FQEVSTJZSA-N 0 0 440.471 4.319 50 0 IIAARN COc1ccc(OC)c(C(=O)COc2ccc(Br)cc2Br)c1 ZINC000022863398 524804045 /nfs/dbraw/zinc/80/40/45/524804045.db2.gz LYPJFFWMYISMQP-UHFFFAOYSA-N 0 0 430.092 4.491 50 0 IIAARN COc1ccc(OC)c(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 ZINC000021100750 524860263 /nfs/dbraw/zinc/86/02/63/524860263.db2.gz OZGSCGYLNLTHQF-UHFFFAOYSA-N 0 0 431.496 4.310 50 0 IIAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000040131415 524881190 /nfs/dbraw/zinc/88/11/90/524881190.db2.gz SSGPHSHZTPNJIE-CYBMUJFWSA-N 0 0 429.467 4.204 50 0 IIAARN C[C@H]1C[C@H](C)CN(c2cc(SCC(=O)Nc3ccccc3Br)ncn2)C1 ZINC000049006736 524887227 /nfs/dbraw/zinc/88/72/27/524887227.db2.gz FPXOOMHEAUOBIG-KBPBESRZSA-N 0 0 435.391 4.452 50 0 IIAARN Cc1cc(Cl)ccc1Nc1nc(N2CCN(c3ccccc3)CC2)nc2c1cnn2C ZINC000021873496 524902685 /nfs/dbraw/zinc/90/26/85/524902685.db2.gz HBSMIRXDDXZKJF-UHFFFAOYSA-N 0 0 433.947 4.395 50 0 IIAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(N4CCCCCC4)cc3)C(=O)[C@@H]2C)cc1 ZINC000012567323 524924550 /nfs/dbraw/zinc/92/45/50/524924550.db2.gz MAZBWELBQPEIOQ-IBGZPJMESA-N 0 0 434.540 4.171 50 0 IIAARN COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(F)c(F)c3)nc21 ZINC000023108237 524924518 /nfs/dbraw/zinc/92/45/18/524924518.db2.gz FEAKCUOOSQVGOX-CYBMUJFWSA-N 0 0 434.464 4.418 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(Cl)cc1Cl ZINC000012567037 524978343 /nfs/dbraw/zinc/97/83/43/524978343.db2.gz BOBYQHJFBLYVTQ-JQWIXIFHSA-N 0 0 447.413 4.405 50 0 IIAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2C)cc1 ZINC000015865326 524978192 /nfs/dbraw/zinc/97/81/92/524978192.db2.gz OKJJKSSEYVTVCA-UHFFFAOYSA-N 0 0 436.537 4.153 50 0 IIAARN COc1nc2ccccc2nc1N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000033088284 524990728 /nfs/dbraw/zinc/99/07/28/524990728.db2.gz FACWUCHAVPJFJK-UHFFFAOYSA-N 0 0 441.329 4.256 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1Cl ZINC000022907612 525006410 /nfs/dbraw/zinc/00/64/10/525006410.db2.gz ALJAJNMEMKNOLN-OAQYLSRUSA-N 0 0 437.927 4.096 50 0 IIAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)nc2C1CC1 ZINC000022768142 525032737 /nfs/dbraw/zinc/03/27/37/525032737.db2.gz HHAYJPCCOBJHSJ-UHFFFAOYSA-N 0 0 433.899 4.060 50 0 IIAARN COc1ncccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012315068 525036379 /nfs/dbraw/zinc/03/63/79/525036379.db2.gz XLJYTRYBYIPCFE-IBGZPJMESA-N 0 0 433.483 4.387 50 0 IIAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl ZINC000020532651 525046279 /nfs/dbraw/zinc/04/62/79/525046279.db2.gz ZSTAEVCKJXPULI-UHFFFAOYSA-N 0 0 445.972 4.268 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl ZINC000023382229 525088931 /nfs/dbraw/zinc/08/89/31/525088931.db2.gz SWQXAVPISJUWDA-OXJNMPFZSA-N 0 0 438.915 4.094 50 0 IIAARN COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCCCC2)cc1 ZINC000021522567 525095148 /nfs/dbraw/zinc/09/51/48/525095148.db2.gz GZVJIASTFNLISE-UHFFFAOYSA-N 0 0 442.537 4.084 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)cc1Cl ZINC000022768144 525107264 /nfs/dbraw/zinc/10/72/64/525107264.db2.gz WMWRRGLDZYHYMN-UHFFFAOYSA-N 0 0 447.926 4.369 50 0 IIAARN C[C@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000020676921 525132994 /nfs/dbraw/zinc/13/29/94/525132994.db2.gz LPMVXGPQLXJEIA-CYFREDJKSA-N 0 0 438.531 4.387 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021861274 525134767 /nfs/dbraw/zinc/13/47/67/525134767.db2.gz OMOZPISORWWKCV-BKCZMFJTSA-N 0 0 444.579 4.454 50 0 IIAARN Cc1cc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)ccc1F ZINC000035528220 525165041 /nfs/dbraw/zinc/16/50/41/525165041.db2.gz NMNZJGKRHOAVEL-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN COc1ccc([C@@H](NC(=O)CSCc2nc3ccccc3s2)c2nccn2C)cc1 ZINC000024025405 525195721 /nfs/dbraw/zinc/19/57/21/525195721.db2.gz YXTMIMPVVAJQAI-OAQYLSRUSA-N 0 0 438.578 4.177 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccn1 ZINC000021809812 525202592 /nfs/dbraw/zinc/20/25/92/525202592.db2.gz VMHQJFXPWONYLY-XMMPIXPASA-N 0 0 436.581 4.352 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)C1 ZINC000020575275 525204322 /nfs/dbraw/zinc/20/43/22/525204322.db2.gz FKMPIXUZJPDRMJ-JFIYKMOQSA-N 0 0 437.519 4.145 50 0 IIAARN C[C@H](NC(=O)c1ccc(-c2ccsc2)nc1N1CCOCC1)c1nc2ccccc2[nH]1 ZINC000020598642 525204692 /nfs/dbraw/zinc/20/46/92/525204692.db2.gz PGGDJFQVFDEHPU-HNNXBMFYSA-N 0 0 433.537 4.014 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccc(C)cc2)cc1 ZINC000015413094 525216976 /nfs/dbraw/zinc/21/69/76/525216976.db2.gz AWGSHGIWEBACMG-RUZDIDTESA-N 0 0 446.503 4.142 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3NS(=O)(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000035684030 525241039 /nfs/dbraw/zinc/24/10/39/525241039.db2.gz DMMIBLGHFMCATE-DEOSSOPVSA-N 0 0 449.532 4.194 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)c2)cc1 ZINC000033308617 525244397 /nfs/dbraw/zinc/24/43/97/525244397.db2.gz RBMONCWSZYPXGX-SFHVURJKSA-N 0 0 431.467 4.378 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000036041846 525257457 /nfs/dbraw/zinc/25/74/57/525257457.db2.gz UGCKEBHTKPUBJO-VXKWHMMOSA-N 0 0 426.944 4.217 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000032987043 525260785 /nfs/dbraw/zinc/26/07/85/525260785.db2.gz BMAZTEUNWAIPGL-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NCc4ccccc4)CC3)s2)cc1 ZINC000033114053 525260864 /nfs/dbraw/zinc/26/08/64/525260864.db2.gz CVVGBFJYIIHLQH-UHFFFAOYSA-N 0 0 435.553 4.188 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NCc4ccccc4)C3)s2)cc1 ZINC000033113330 525262881 /nfs/dbraw/zinc/26/28/81/525262881.db2.gz SWOVXFBRFRCGJV-SFHVURJKSA-N 0 0 435.553 4.188 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CS[C@H](C)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000012536757 525274031 /nfs/dbraw/zinc/27/40/31/525274031.db2.gz RQWIDAAOWBYAAQ-GFCCVEGCSA-N 0 0 430.484 4.044 50 0 IIAARN Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3cccc(Br)c3)s2)cc1 ZINC000012461697 525324472 /nfs/dbraw/zinc/32/44/72/525324472.db2.gz JOZYMMCUGUDUST-UHFFFAOYSA-N 0 0 431.315 4.309 50 0 IIAARN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 ZINC000012521282 525343583 /nfs/dbraw/zinc/34/35/83/525343583.db2.gz LVNYDODRFFSJPE-KZULUSFZSA-N 0 0 443.352 4.092 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561037 525344225 /nfs/dbraw/zinc/34/42/25/525344225.db2.gz BMEMUDWEPFAABP-QFIPXVFZSA-N 0 0 430.504 4.107 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)N2CCCCC2)cc1 ZINC000012804713 525357502 /nfs/dbraw/zinc/35/75/02/525357502.db2.gz YTEXIVVWKLOHNA-NRFANRHFSA-N 0 0 437.584 4.444 50 0 IIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324899 525385423 /nfs/dbraw/zinc/38/54/23/525385423.db2.gz YKIZACHROLRTSM-GASCZTMLSA-N 0 0 434.993 4.033 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000012924065 525413560 /nfs/dbraw/zinc/41/35/60/525413560.db2.gz ZDJDDBCDUIRWAT-FDDCHVKYSA-N 0 0 442.581 4.236 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041544 525419131 /nfs/dbraw/zinc/41/91/31/525419131.db2.gz PTGXDRCCCWBUSU-RPBOFIJWSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCc4nc5ccccc5[nH]4)o3)cc2c1C ZINC000021150186 525421134 /nfs/dbraw/zinc/42/11/34/525421134.db2.gz FZUZZKMFFWWXBK-UHFFFAOYSA-N 0 0 432.509 4.120 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCCC2)cc1 ZINC000036041837 525421136 /nfs/dbraw/zinc/42/11/36/525421136.db2.gz VBAWWSNEQRMPJL-FGZHOGPDSA-N 0 0 426.944 4.217 50 0 IIAARN Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000015800276 525425527 /nfs/dbraw/zinc/42/55/27/525425527.db2.gz MWWZCXIMXYNMNB-BOPFTXTBSA-N 0 0 433.327 4.354 50 0 IIAARN COc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000021783035 525440928 /nfs/dbraw/zinc/44/09/28/525440928.db2.gz JEZVNSWNWOPTES-HXOBKFHXSA-N 0 0 449.503 4.151 50 0 IIAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000012361646 525442113 /nfs/dbraw/zinc/44/21/13/525442113.db2.gz GSKBKAFINDWEJL-QHCPKHFHSA-N 0 0 440.565 4.224 50 0 IIAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4C)nc23)cc1 ZINC000035424713 525479514 /nfs/dbraw/zinc/47/95/14/525479514.db2.gz WPJZUHMVCUMWQC-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN COc1ccc2[nH]c(CSc3nnc(COc4ccccc4Cl)n3C)cc(=O)c2c1 ZINC000033067730 525481810 /nfs/dbraw/zinc/48/18/10/525481810.db2.gz XXCRGEAXCBOQLG-UHFFFAOYSA-N 0 0 442.928 4.190 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC1)c1cccn1-2 ZINC000035446970 525551559 /nfs/dbraw/zinc/55/15/59/525551559.db2.gz HUZLEKFKVCWAOA-UHFFFAOYSA-N 0 0 446.507 4.206 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000022845045 525578426 /nfs/dbraw/zinc/57/84/26/525578426.db2.gz LPZOXDFCYHXCIM-UHFFFAOYSA-N 0 0 434.561 4.263 50 0 IIAARN Cc1cc2c(cc1C)n(CC(=O)Nc1cc(F)ccc1F)cc(C(=O)c1ccncc1)c2=O ZINC000035535166 525604548 /nfs/dbraw/zinc/60/45/48/525604548.db2.gz NBQITIYBOHYJQK-UHFFFAOYSA-N 0 0 447.441 4.161 50 0 IIAARN Cc1cc2c(cc1C)n(CC(=O)Nc1ccc(F)cc1F)cc(C(=O)c1ccncc1)c2=O ZINC000035535165 525605311 /nfs/dbraw/zinc/60/53/11/525605311.db2.gz CNAVVYQJOSWFRW-UHFFFAOYSA-N 0 0 447.441 4.161 50 0 IIAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@@H]1C ZINC000023818326 525605989 /nfs/dbraw/zinc/60/59/89/525605989.db2.gz CQDDOBVVLIJPLP-KGLIPLIRSA-N 0 0 435.387 4.353 50 0 IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)o1 ZINC000021810790 525618694 /nfs/dbraw/zinc/61/86/94/525618694.db2.gz JNGFGLMOSLJOEF-HSZRJFAPSA-N 0 0 425.554 4.468 50 0 IIAARN Cc1c(C(=O)NC[C@@H]2CCCO2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490079 525622456 /nfs/dbraw/zinc/62/24/56/525622456.db2.gz CUKCYCIPOHBFIC-SFHVURJKSA-N 0 0 425.916 4.161 50 0 IIAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)c(N3CCCC3)nc2c1 ZINC000012155373 525626320 /nfs/dbraw/zinc/62/63/20/525626320.db2.gz QOUMENHWAFIDHJ-NRFANRHFSA-N 0 0 435.524 4.258 50 0 IIAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccco3)c(N3CCCC3)nc2c1 ZINC000012155378 525628864 /nfs/dbraw/zinc/62/88/64/525628864.db2.gz QOUMENHWAFIDHJ-OAQYLSRUSA-N 0 0 435.524 4.258 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012419102 525633323 /nfs/dbraw/zinc/63/33/23/525633323.db2.gz WPGCCNVZTOFTKH-HDICACEKSA-N 0 0 426.538 4.405 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccccc4)nc23)cc1C ZINC000020516311 525636645 /nfs/dbraw/zinc/63/66/45/525636645.db2.gz FODKYXWCJLZPCA-UHFFFAOYSA-N 0 0 449.561 4.401 50 0 IIAARN Cc1cc2nc(COc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)cc(=O)n2o1 ZINC000035378595 525673770 /nfs/dbraw/zinc/67/37/70/525673770.db2.gz SNZZECMQUMSAPJ-UHFFFAOYSA-N 0 0 443.381 4.446 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 ZINC000035378653 525674441 /nfs/dbraw/zinc/67/44/41/525674441.db2.gz LIMZAWVYHPAMBP-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)c1C ZINC000012745345 525675283 /nfs/dbraw/zinc/67/52/83/525675283.db2.gz ZTAFACCECPMQTP-UHFFFAOYSA-N 0 0 440.609 4.474 50 0 IIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c12 ZINC000020947207 525676446 /nfs/dbraw/zinc/67/64/46/525676446.db2.gz SRIKEQMGOIYTKE-UHFFFAOYSA-N 0 0 448.954 4.125 50 0 IIAARN Cc1cc2occ(CC(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)c2cc1C(C)C ZINC000012742031 525698897 /nfs/dbraw/zinc/69/88/97/525698897.db2.gz QWLSAYZSLGDRTF-UHFFFAOYSA-N 0 0 433.552 4.433 50 0 IIAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1cccnc1Cl ZINC000012507909 525708444 /nfs/dbraw/zinc/70/84/44/525708444.db2.gz XUEWUWYXAIRXGK-CYBMUJFWSA-N 0 0 448.907 4.114 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)[nH]n2)c(C)c1 ZINC000020531696 525720444 /nfs/dbraw/zinc/72/04/44/525720444.db2.gz PATXUHXUEWWEPR-UHFFFAOYSA-N 0 0 438.959 4.184 50 0 IIAARN COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc(C(C)(C)C)cc4)C3=O)n2)c1 ZINC000022708194 525737281 /nfs/dbraw/zinc/73/72/81/525737281.db2.gz ODPXGLZKDGITEP-XMMPIXPASA-N 0 0 434.496 4.010 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ccn3n2)cc1 ZINC000012414410 525737100 /nfs/dbraw/zinc/73/71/00/525737100.db2.gz GACMKCLCSCYEBQ-UHFFFAOYSA-N 0 0 426.398 4.129 50 0 IIAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)cc1NC(=O)C(C)C ZINC000016648586 525744741 /nfs/dbraw/zinc/74/47/41/525744741.db2.gz AGQFWHUTCPOIIP-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCC(=O)NCC(F)(F)F ZINC000012540546 525750323 /nfs/dbraw/zinc/75/03/23/525750323.db2.gz VNVJXXODTAGBAQ-UHFFFAOYSA-N 0 0 441.862 4.118 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012794998 525762418 /nfs/dbraw/zinc/76/24/18/525762418.db2.gz FKMSRCZKFSOZEY-UHFFFAOYSA-N 0 0 432.973 4.177 50 0 IIAARN Cc1ccc(-c2cn3c(CC(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1 ZINC000022852767 525767764 /nfs/dbraw/zinc/76/77/64/525767764.db2.gz MPSLIDAJZLYDLU-UHFFFAOYSA-N 0 0 430.577 4.258 50 0 IIAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000021034181 525768018 /nfs/dbraw/zinc/76/80/18/525768018.db2.gz IEWYJOFMULLUOT-UHFFFAOYSA-N 0 0 441.528 4.177 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1OC ZINC000011844418 525799325 /nfs/dbraw/zinc/79/93/25/525799325.db2.gz MBBFMGRMILBGFF-QGZVFWFLSA-N 0 0 444.959 4.306 50 0 IIAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000035526758 525802501 /nfs/dbraw/zinc/80/25/01/525802501.db2.gz NBWKOFDSXXXTFE-OAQYLSRUSA-N 0 0 433.321 4.147 50 0 IIAARN COc1cccc(C(=O)N2C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccccc3)C2)c1 ZINC000036041278 525809012 /nfs/dbraw/zinc/80/90/12/525809012.db2.gz UKZVQRKRYGSJMR-DNQXCXABSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccsc1CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012445047 525839525 /nfs/dbraw/zinc/83/95/25/525839525.db2.gz UJQSGEJCENOMAL-UHFFFAOYSA-N 0 0 431.627 4.363 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000035962071 525857629 /nfs/dbraw/zinc/85/76/29/525857629.db2.gz CTQDJWAUNQFZFL-NRFANRHFSA-N 0 0 427.932 4.141 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962305 525859171 /nfs/dbraw/zinc/85/91/71/525859171.db2.gz COTRYMLVDMZKTK-QFIPXVFZSA-N 0 0 439.531 4.407 50 0 IIAARN Cc1c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022588785 525860718 /nfs/dbraw/zinc/86/07/18/525860718.db2.gz OBUJXOLGJBJINJ-UHFFFAOYSA-N 0 0 432.505 4.051 50 0 IIAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)N[C@H](C)c5ccccc5)CC4)nn32)cc1 ZINC000033260277 525861834 /nfs/dbraw/zinc/86/18/34/525861834.db2.gz MJZCYKRMJDHDDV-LJQANCHMSA-N 0 0 440.551 4.194 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c3)n2)cc1 ZINC000033293118 525870289 /nfs/dbraw/zinc/87/02/89/525870289.db2.gz FDJKDMXQYYNNKQ-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN Cc1c(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000012630517 525872715 /nfs/dbraw/zinc/87/27/15/525872715.db2.gz CCBJSSSJIMDBJC-UHFFFAOYSA-N 0 0 427.570 4.200 50 0 IIAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1ccccc1F ZINC000035961827 525873084 /nfs/dbraw/zinc/87/30/84/525873084.db2.gz YRWGYYUOCIGIJG-KRWDZBQOSA-N 0 0 427.526 4.365 50 0 IIAARN COc1cccc(CC2=NO[C@@H](C(=O)N3CCC(Sc4ccc(F)cc4)CC3)C2)c1 ZINC000012198975 525877075 /nfs/dbraw/zinc/87/70/75/525877075.db2.gz UPVJZNDVUJTHRG-JOCHJYFZSA-N 0 0 428.529 4.305 50 0 IIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3ccc(Cl)c(Cl)c3)s1)CS2 ZINC000012846846 525912994 /nfs/dbraw/zinc/91/29/94/525912994.db2.gz WYPSGUDQAONJPF-KBXCAEBGSA-N 0 0 442.393 4.433 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012776461 525918208 /nfs/dbraw/zinc/91/82/08/525918208.db2.gz CPKRDVQSJWNTQY-HZPDHXFCSA-N 0 0 431.330 4.094 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)o1 ZINC000012891885 525936377 /nfs/dbraw/zinc/93/63/77/525936377.db2.gz JCALFGLSNIOGCX-ZDUSSCGKSA-N 0 0 445.472 4.241 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)N3CCCCCC3)C1)nnc2C ZINC000020564675 525938971 /nfs/dbraw/zinc/93/89/71/525938971.db2.gz KLTZATLZWWXCRA-HXUWFJFHSA-N 0 0 432.572 4.051 50 0 IIAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3cc(F)ccc3F)C2=O)c1 ZINC000012414796 525959506 /nfs/dbraw/zinc/95/95/06/525959506.db2.gz URZZJFADXBVWAX-UHFFFAOYSA-N 0 0 430.432 4.309 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4OC)ccc3O[C@@H](C)C2=O)c1 ZINC000035909281 525960056 /nfs/dbraw/zinc/96/00/56/525960056.db2.gz KUYCIFPWOWXWES-KRWDZBQOSA-N 0 0 446.503 4.266 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3O[C@H](C)C2=O)c1 ZINC000035909264 525960364 /nfs/dbraw/zinc/96/03/64/525960364.db2.gz PXHFMJUHKFAMIL-MRXNPFEDSA-N 0 0 434.467 4.396 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)COc4ccccc4)ccc3O[C@H](C)C2=O)c1 ZINC000035909292 525960379 /nfs/dbraw/zinc/96/03/79/525960379.db2.gz PKBIMJCVFVHFBG-GOSISDBHSA-N 0 0 446.503 4.022 50 0 IIAARN Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(I)cc3)C2=O)o1 ZINC000021965811 525962137 /nfs/dbraw/zinc/96/21/37/525962137.db2.gz JGEKMZYUZOCNRY-ZSOIEALJSA-N 0 0 440.262 4.299 50 0 IIAARN COc1cccc(CNC(=O)CNC(=S)N(Cc2ccc(C)cc2)C2CCCCC2)c1 ZINC000020679863 525972324 /nfs/dbraw/zinc/97/23/24/525972324.db2.gz TVVPPWKSCSYLOO-UHFFFAOYSA-N 0 0 439.625 4.329 50 0 IIAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)c1ccc(F)c(F)c1 ZINC000012741162 525999889 /nfs/dbraw/zinc/99/98/89/525999889.db2.gz LSXWOAQOJPMTRV-AWEZNQCLSA-N 0 0 429.492 4.104 50 0 IIAARN 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442.563 4.359 50 0 IIAARN Cc1nn(-c2ccc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)cc2)c2c1C(=O)CCC2 ZINC000021717248 527520643 /nfs/dbraw/zinc/52/06/43/527520643.db2.gz AZHYWEMNDDXQLE-IBGZPJMESA-N 0 0 442.563 4.359 50 0 IIAARN O=C(NC1CCCCCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049665 527521202 /nfs/dbraw/zinc/52/12/02/527521202.db2.gz VZBANRCKYBJQAK-UHFFFAOYSA-N 0 0 428.964 4.425 50 0 IIAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)C1CCCCC1 ZINC000033291189 527537479 /nfs/dbraw/zinc/53/74/79/527537479.db2.gz LWANGFGPGWOHOQ-ZDUSSCGKSA-N 0 0 438.406 4.008 50 0 IIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)sc21 ZINC000020616165 527550530 /nfs/dbraw/zinc/55/05/30/527550530.db2.gz JHMCSDHMHHIXKX-UHFFFAOYSA-N 0 0 442.894 4.265 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)CC(C)C)CC3)c12 ZINC000035912669 527555018 /nfs/dbraw/zinc/55/50/18/527555018.db2.gz UUBJHSJBTDEVRD-UHFFFAOYSA-N 0 0 434.588 4.017 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(CN4CCOCC4)c3)cc12 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Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c(Cl)c1 ZINC000000724994 555551340 /nfs/dbraw/zinc/55/13/40/555551340.db2.gz NVTVVMLZIBTHSZ-UHFFFAOYSA-N 0 0 443.975 4.279 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)c2ccccc2)cc1OC ZINC000000752927 555553576 /nfs/dbraw/zinc/55/35/76/555553576.db2.gz LXROAKUBFQOWNC-UHFFFAOYSA-N 0 0 441.487 4.169 50 0 IIAARN COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000792736 555557301 /nfs/dbraw/zinc/55/73/01/555557301.db2.gz WRYZJRIWQGTPMS-UHFFFAOYSA-N 0 0 434.583 4.090 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827122 555565427 /nfs/dbraw/zinc/56/54/27/555565427.db2.gz GYUNFFOROAHYSP-UHFFFAOYSA-N 0 0 430.342 4.047 50 0 IIAARN Fc1ccc(Nc2nc3nonc3nc2Nc2ccc(I)cc2)cc1 ZINC000000832963 555566626 /nfs/dbraw/zinc/56/66/26/555566626.db2.gz QRTCBAURJCNMAD-UHFFFAOYSA-N 0 0 448.199 4.244 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccccc2C)cc1 ZINC000000889681 555579488 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O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br)N1CCCC1 ZINC000001506591 555702133 /nfs/dbraw/zinc/70/21/33/555702133.db2.gz XZTPJBLMSNVZDX-UHFFFAOYSA-N 0 0 439.235 4.414 50 0 IIAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000001738420 555711400 /nfs/dbraw/zinc/71/14/00/555711400.db2.gz LQLQTORELHGXMX-FQEVSTJZSA-N 0 0 428.916 4.108 50 0 biogenic IIAARN COc1cc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)cc1Cl ZINC000001909302 555724202 /nfs/dbraw/zinc/72/42/02/555724202.db2.gz INNFNPYJDQRZDP-UHFFFAOYSA-N 0 0 430.888 4.152 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000071889615 555726040 /nfs/dbraw/zinc/72/60/40/555726040.db2.gz NCHDZYQYKFVZNG-SFHVURJKSA-N 0 0 427.501 4.143 50 0 IIAARN CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002088318 555740546 /nfs/dbraw/zinc/74/05/46/555740546.db2.gz OJJQDMVBGVRFMJ-TZMCWYRMSA-N 0 0 431.256 4.446 50 0 IIAARN COC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2c(Cl)cccc2Cl)S1 ZINC000002170776 555751827 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Cc1ccc(SCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000002858750 555843298 /nfs/dbraw/zinc/84/32/98/555843298.db2.gz KOJYQIUJCFDOKB-UHFFFAOYSA-N 0 0 440.590 4.342 50 0 IIAARN CN(CCCC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000002862952 555845788 /nfs/dbraw/zinc/84/57/88/555845788.db2.gz KIVUGBSMJDJAES-UHFFFAOYSA-N 0 0 438.549 4.305 50 0 IIAARN Cc1ccc(OCCCCn2cnc3ccccc3c2=O)c(I)c1 ZINC000002862527 555845851 /nfs/dbraw/zinc/84/58/51/555845851.db2.gz ILNKVTRQNCIUTM-UHFFFAOYSA-N 0 0 434.277 4.169 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000002872049 555850493 /nfs/dbraw/zinc/85/04/93/555850493.db2.gz GHMYNPUVOMOAQW-UHFFFAOYSA-N 0 0 444.940 4.324 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000002873918 555851115 /nfs/dbraw/zinc/85/11/15/555851115.db2.gz TVPACTHQOJULMG-UHFFFAOYSA-N 0 0 444.940 4.104 50 0 IIAARN O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000002877105 555852970 /nfs/dbraw/zinc/85/29/70/555852970.db2.gz 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556264424 /nfs/dbraw/zinc/26/44/24/556264424.db2.gz PCMRZYRGDVQOMN-IRXDYDNUSA-N 0 0 444.358 4.055 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000009238626 556265084 /nfs/dbraw/zinc/26/50/84/556265084.db2.gz BDJPUZAJSRKLEX-RTBURBONSA-N 0 0 443.960 4.263 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239193 556265623 /nfs/dbraw/zinc/26/56/23/556265623.db2.gz MRFSDZRIGKPFNM-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239595 556266074 /nfs/dbraw/zinc/26/60/74/556266074.db2.gz QDHHDARBWYMWMK-LEWJYISDSA-N 0 0 437.569 4.199 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239608 556266111 /nfs/dbraw/zinc/26/61/11/556266111.db2.gz SVSREXVRCJBSMA-NHCUHLMSSA-N 0 0 437.569 4.199 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239612 556266393 /nfs/dbraw/zinc/26/63/93/556266393.db2.gz SVSREXVRCJBSMA-SFTDATJTSA-N 0 0 437.569 4.199 50 0 IIAARN COc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1 ZINC000009261446 556269213 /nfs/dbraw/zinc/26/92/13/556269213.db2.gz XUMOUJFVMOVLKE-UHFFFAOYSA-N 0 0 448.342 4.140 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009295087 556274552 /nfs/dbraw/zinc/27/45/52/556274552.db2.gz XLXVWXYYRZPVKX-SFTDATJTSA-N 0 0 437.569 4.199 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009295086 556274573 /nfs/dbraw/zinc/27/45/73/556274573.db2.gz XLXVWXYYRZPVKX-RTWAWAEBSA-N 0 0 437.569 4.199 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1ccc(Cl)cc1 ZINC000013689599 556279017 /nfs/dbraw/zinc/27/90/17/556279017.db2.gz AZBQINHTUGCKKG-SJORKVTESA-N 0 0 427.378 4.268 50 0 IIAARN CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000013690272 556279731 /nfs/dbraw/zinc/27/97/31/556279731.db2.gz DBZUCJAXTAHTEE-UHFFFAOYSA-N 0 0 433.537 4.051 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccc(C)cc1 ZINC000013690670 556279990 /nfs/dbraw/zinc/27/99/90/556279990.db2.gz VRBANHBYRBHVOM-UHFFFAOYSA-N 0 0 444.528 4.284 50 0 IIAARN C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013692157 556281663 /nfs/dbraw/zinc/28/16/63/556281663.db2.gz ZTJJVTSVVJQCFI-HNNXBMFYSA-N 0 0 443.459 4.023 50 0 IIAARN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl ZINC000009324372 556281975 /nfs/dbraw/zinc/28/19/75/556281975.db2.gz ISXGFKZTGGSKDC-UZUMKDMXSA-N 0 0 441.915 4.357 50 0 IIAARN COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2cc(C)ccc2C)s1 ZINC000009329700 556282609 /nfs/dbraw/zinc/28/26/09/556282609.db2.gz DIYDDUCURDZQMM-UHFFFAOYSA-N 0 0 428.539 4.147 50 0 IIAARN COc1ccc(CCc2nnc3sc(-c4cccc(Br)c4)nn23)cc1OC ZINC000013720493 556289718 /nfs/dbraw/zinc/28/97/18/556289718.db2.gz OZKSESFUULFJCR-UHFFFAOYSA-N 0 0 445.342 4.418 50 0 IIAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Oc2ccccc2)cc1 ZINC000013724594 556292153 /nfs/dbraw/zinc/29/21/53/556292153.db2.gz UOWAQFFQMQNCRD-FQEVSTJZSA-N 0 0 425.448 4.259 50 0 IIAARN C[C@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)c2ccccc2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000009448045 556292497 /nfs/dbraw/zinc/29/24/97/556292497.db2.gz ZYYIWUTUYLONKB-SGANQWHYSA-N 0 0 449.890 4.322 50 0 IIAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1OC ZINC000009496049 556295087 /nfs/dbraw/zinc/29/50/87/556295087.db2.gz ZKDAQBKCLYQQNO-FQEVSTJZSA-N 0 0 439.903 4.266 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000013730238 556295151 /nfs/dbraw/zinc/29/51/51/556295151.db2.gz NXKKHWVLVXFEQK-UHFFFAOYSA-N 0 0 444.528 4.284 50 0 IIAARN COc1ccc(Cc2nnc3sc(CCc4c(C)nn(-c5ccccc5)c4C)nn23)cc1 ZINC000009575901 556300064 /nfs/dbraw/zinc/30/00/64/556300064.db2.gz HJBHHKHLXKLSNM-UHFFFAOYSA-N 0 0 444.564 4.373 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1OC ZINC000009597809 556301833 /nfs/dbraw/zinc/30/18/33/556301833.db2.gz NKFPRHIPVLLHAZ-UHFFFAOYSA-N 0 0 431.286 4.094 50 0 biogenic IIAARN Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)no1 ZINC000032741832 556303757 /nfs/dbraw/zinc/30/37/57/556303757.db2.gz PDWMKUGWCDCBLA-UHFFFAOYSA-N 0 0 434.481 4.095 50 0 IIAARN O=C(CN1c2ccccc2OCCC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032744650 556304624 /nfs/dbraw/zinc/30/46/24/556304624.db2.gz DDVNNBOAANODMT-XVVKTLDKSA-N 0 0 438.527 4.216 50 0 IIAARN Cc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013770724 556305346 /nfs/dbraw/zinc/30/53/46/556305346.db2.gz VIXQFCPBENTXFW-NUJGCVRESA-N 0 0 430.397 4.102 50 0 IIAARN COc1ccc(F)cc1CN1CCN(C(=O)c2cc3c(C)nn(CC(C)C)c3s2)CC1 ZINC000032732296 556305550 /nfs/dbraw/zinc/30/55/50/556305550.db2.gz HOVIZMQOADSRJG-UHFFFAOYSA-N 0 0 444.576 4.168 50 0 IIAARN Cc1cc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)n(-c2ccccc2)n1 ZINC000009722456 556307591 /nfs/dbraw/zinc/30/75/91/556307591.db2.gz YNJBLXNVCIFBMM-UHFFFAOYSA-N 0 0 438.487 4.349 50 0 IIAARN CCOc1cc(C(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc(OCC)c1OCC ZINC000013788127 556309525 /nfs/dbraw/zinc/30/95/25/556309525.db2.gz DCONGFGMUHBBGI-UHFFFAOYSA-N 0 0 438.524 4.305 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2)c2ccccc23)c1 ZINC000009829913 556309979 /nfs/dbraw/zinc/30/99/79/556309979.db2.gz KDMIQMBRJFOGKU-UHFFFAOYSA-N 0 0 429.505 4.471 50 0 IIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000009830389 556310724 /nfs/dbraw/zinc/31/07/24/556310724.db2.gz BUFYAQWENDVNHW-HXUWFJFHSA-N 0 0 446.532 4.299 50 0 IIAARN O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000013809920 556311572 /nfs/dbraw/zinc/31/15/72/556311572.db2.gz LHAXOTRXDXQENK-NXVVXOECSA-N 0 0 429.910 4.025 50 0 IIAARN Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000032752860 556313922 /nfs/dbraw/zinc/31/39/22/556313922.db2.gz NPVRQSALSOHPPF-NRFANRHFSA-N 0 0 439.537 4.140 50 0 IIAARN CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)oc21 ZINC000032744954 556314453 /nfs/dbraw/zinc/31/44/53/556314453.db2.gz UEGNAWOZGPXXLM-INIZCTEOSA-N 0 0 442.537 4.107 50 0 IIAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032747363 556316028 /nfs/dbraw/zinc/31/60/28/556316028.db2.gz NIWRYEKGXSMNHU-AWEZNQCLSA-N 0 0 425.495 4.189 50 0 IIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)cc1 ZINC000009933992 556317535 /nfs/dbraw/zinc/31/75/35/556317535.db2.gz KQPGQBWCWKEBKB-HXUWFJFHSA-N 0 0 441.915 4.457 50 0 IIAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)Cc2ccc(Br)cc2)s1 ZINC000013842943 556317942 /nfs/dbraw/zinc/31/79/42/556317942.db2.gz LLVIUFNTJKUWKC-UHFFFAOYSA-N 0 0 445.342 4.297 50 0 IIAARN COc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000013846301 556318778 /nfs/dbraw/zinc/31/87/78/556318778.db2.gz CXLCEZCXDKPFAO-QFIPXVFZSA-N 0 0 435.451 4.314 50 0 IIAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000013847529 556319422 /nfs/dbraw/zinc/31/94/22/556319422.db2.gz GCKJCMIYDGMSTM-UHFFFAOYSA-N 0 0 442.965 4.240 50 0 IIAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)C1CCN(C(=O)c2ccncc2)CC1 ZINC000032760526 556320699 /nfs/dbraw/zinc/32/06/99/556320699.db2.gz GCTWZTCESWNZRH-UHFFFAOYSA-N 0 0 449.511 4.088 50 0 IIAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2csc3ccccc23)CC1 ZINC000032757088 556324696 /nfs/dbraw/zinc/32/46/96/556324696.db2.gz SRCMXBDSSQIDDK-JOCHJYFZSA-N 0 0 436.577 4.417 50 0 IIAARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2)O1 ZINC000010079014 556325210 /nfs/dbraw/zinc/32/52/10/556325210.db2.gz WJLCADFGDBDAKO-GOSISDBHSA-N 0 0 437.677 4.267 50 0 IIAARN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000013880513 556325997 /nfs/dbraw/zinc/32/59/97/556325997.db2.gz FNCPSKUPDUFIER-UHFFFAOYSA-N 0 0 444.940 4.144 50 0 IIAARN COc1ccc2c(CC(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)coc2c1 ZINC000032769004 556333945 /nfs/dbraw/zinc/33/39/45/556333945.db2.gz ZINCKOVLUAOYLW-UHFFFAOYSA-N 0 0 433.430 4.137 50 0 IIAARN Cc1cc(C)c(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032769062 556333984 /nfs/dbraw/zinc/33/39/84/556333984.db2.gz NQFSWSHMQFDDRE-UHFFFAOYSA-N 0 0 446.938 4.487 50 0 IIAARN O=C(Cn1nc(Br)nc1Br)N(c1ccccc1)c1ccccc1 ZINC000013942626 556340001 /nfs/dbraw/zinc/34/00/01/556340001.db2.gz QGNVTLDQAJJRPY-UHFFFAOYSA-N 0 0 436.107 4.168 50 0 IIAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1 ZINC000013944467 556341693 /nfs/dbraw/zinc/34/16/93/556341693.db2.gz FMHBTJPLXMSYCO-QGZVFWFLSA-N 0 0 436.537 4.029 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CSCc4ccccc4)s3)CC2=O)cc1 ZINC000013944480 556342005 /nfs/dbraw/zinc/34/20/05/556342005.db2.gz HSPGAKJKSNBIET-KRWDZBQOSA-N 0 0 438.578 4.239 50 0 IIAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nc5ccc(C)cc5s4)CC3=O)c2c1 ZINC000013944689 556342034 /nfs/dbraw/zinc/34/20/34/556342034.db2.gz CWIYEOQTKQGECR-MRXNPFEDSA-N 0 0 448.548 4.124 50 0 IIAARN COc1cccc(-c2cc(C(=O)NCCCn3nc(C(F)(F)F)c(Cl)c3C)[nH]n2)c1 ZINC000013960313 556347573 /nfs/dbraw/zinc/34/75/73/556347573.db2.gz MHFLWIPQLFFIKU-UHFFFAOYSA-N 0 0 441.841 4.083 50 0 IIAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000011754217 556349191 /nfs/dbraw/zinc/34/91/91/556349191.db2.gz AOVJEKNHYHEXBP-OAQYLSRUSA-N 0 0 443.551 4.483 50 0 IIAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(s1)CCCCC2 ZINC000013986319 556351724 /nfs/dbraw/zinc/35/17/24/556351724.db2.gz YCRBNFUCKDEVMP-UHFFFAOYSA-N 0 0 445.544 4.157 50 0 IIAARN COc1cccc(-c2nc(CSCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cs2)c1 ZINC000032779174 556352533 /nfs/dbraw/zinc/35/25/33/556352533.db2.gz FZLNEKMZZZEZFR-UHFFFAOYSA-N 0 0 441.578 4.392 50 0 IIAARN Cn1c(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)nnc1SCc1ccccn1 ZINC000011787465 556354224 /nfs/dbraw/zinc/35/42/24/556354224.db2.gz QVEBNHSGQFJCMF-UHFFFAOYSA-N 0 0 433.512 4.239 50 0 IIAARN COc1ccc(CN(C(=O)CCC(=O)N(C)C)C2CCCC2)cc1OCc1cccs1 ZINC000011814570 556357970 /nfs/dbraw/zinc/35/79/70/556357970.db2.gz QSENSAXGLUEHAF-UHFFFAOYSA-N 0 0 444.597 4.475 50 0 IIAARN COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000011816491 556359114 /nfs/dbraw/zinc/35/91/14/556359114.db2.gz LFEQZLCLKDKQCT-SAPNQHFASA-N 0 0 428.554 4.127 50 0 IIAARN C[C@@H](NC(=O)c1cc(COc2cccc3cnccc32)on1)c1cnn(-c2ccccc2)c1 ZINC000011816638 556359182 /nfs/dbraw/zinc/35/91/82/556359182.db2.gz FQZVFNCIPQUREF-QGZVFWFLSA-N 0 0 439.475 4.479 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccco2)cc1 ZINC000014075323 556361489 /nfs/dbraw/zinc/36/14/89/556361489.db2.gz SYIIDLKHDFOOOT-CALCHBBNSA-N 0 0 440.569 4.385 50 0 IIAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014097878 556367748 /nfs/dbraw/zinc/36/77/48/556367748.db2.gz YBCNAVXEPHLDMO-UHFFFAOYSA-N 0 0 445.766 4.048 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 ZINC000014111361 556369763 /nfs/dbraw/zinc/36/97/63/556369763.db2.gz AJGRCTNSFPZKJF-UHFFFAOYSA-N 0 0 443.297 4.298 50 0 IIAARN NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1 ZINC000014112850 556370148 /nfs/dbraw/zinc/37/01/48/556370148.db2.gz KYFBWDUMAMBBKN-UHFFFAOYSA-N 0 0 434.439 4.200 50 0 IIAARN O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000014135520 556374896 /nfs/dbraw/zinc/37/48/96/556374896.db2.gz AUINKGJZMMKURY-KRWDZBQOSA-N 0 0 444.940 4.203 50 0 IIAARN COC(=O)CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011933209 556376908 /nfs/dbraw/zinc/37/69/08/556376908.db2.gz MSPIVJKHCQSOPA-FQEVSTJZSA-N 0 0 447.535 4.355 50 0 IIAARN CC(C)N(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccn1C ZINC000011936498 556378810 /nfs/dbraw/zinc/37/88/10/556378810.db2.gz FOPWEKQBHPEVGU-UHFFFAOYSA-N 0 0 429.524 4.412 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000014168128 556380511 /nfs/dbraw/zinc/38/05/11/556380511.db2.gz GWFZTTSINRNHLP-UHFFFAOYSA-N 0 0 448.859 4.261 50 0 IIAARN Cc1cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000014168240 556380532 /nfs/dbraw/zinc/38/05/32/556380532.db2.gz ZROBLIQIDMBNSI-SFHVURJKSA-N 0 0 443.594 4.078 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc12 ZINC000014169197 556380839 /nfs/dbraw/zinc/38/08/39/556380839.db2.gz SFEVUWMWGYVLNQ-UHFFFAOYSA-N 0 0 446.598 4.099 50 0 IIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 ZINC000014170538 556381287 /nfs/dbraw/zinc/38/12/87/556381287.db2.gz XOHKBEJFNSPRHN-NRFANRHFSA-N 0 0 446.613 4.498 50 0 IIAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014180974 556382423 /nfs/dbraw/zinc/38/24/23/556382423.db2.gz MCEXZMVVSLLGMW-MRXNPFEDSA-N 0 0 432.549 4.262 50 0 IIAARN O=C(c1ccc2ccccc2c1O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014183379 556383389 /nfs/dbraw/zinc/38/33/89/556383389.db2.gz KEWCLJQZRXPWQP-UHFFFAOYSA-N 0 0 431.355 4.327 50 0 IIAARN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000014184319 556384480 /nfs/dbraw/zinc/38/44/80/556384480.db2.gz LHPGPRGNDFDUQE-SFHVURJKSA-N 0 0 436.537 4.007 50 0 IIAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3cccs3)c2C2CC2)n1 ZINC000011997564 556384539 /nfs/dbraw/zinc/38/45/39/556384539.db2.gz RTUVSGKPWAARFG-UHFFFAOYSA-N 0 0 445.548 4.249 50 0 IIAARN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl ZINC000014196506 556388097 /nfs/dbraw/zinc/38/80/97/556388097.db2.gz BULYKOTUPQRBIV-NRFANRHFSA-N 0 0 428.964 4.003 50 0 IIAARN Cc1ccccc1[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)C1 ZINC000012034526 556389089 /nfs/dbraw/zinc/38/90/89/556389089.db2.gz BBPVKEMEMYRUQT-KDYSTLNUSA-N 0 0 448.563 4.101 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000014198064 556389368 /nfs/dbraw/zinc/38/93/68/556389368.db2.gz OTHOIJZJTGWNAS-UHFFFAOYSA-N 0 0 427.570 4.217 50 0 IIAARN Cc1cc2ncn(S(=O)(=O)c3cc(Br)ccc3Br)c2cc1C ZINC000012039659 556390413 /nfs/dbraw/zinc/39/04/13/556390413.db2.gz QENZLCPLFYTVKH-UHFFFAOYSA-N 0 0 444.148 4.415 50 0 IIAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000014200808 556391478 /nfs/dbraw/zinc/39/14/78/556391478.db2.gz AWFZUTDKEKPZMN-RUZDIDTESA-N 0 0 442.450 4.066 50 0 IIAARN CN(Cc1ccc2nsnc2c1)C(=O)CCc1nnc(CCCCc2ccccc2)o1 ZINC000012053616 556393179 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ZINC000013121387 556474137 /nfs/dbraw/zinc/47/41/37/556474137.db2.gz GUKBHGVTRGHWJH-SFHVURJKSA-N 0 0 435.549 4.216 50 0 IIAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000013128173 556477509 /nfs/dbraw/zinc/47/75/09/556477509.db2.gz RHOHUUKRTUNZQU-UHFFFAOYSA-N 0 0 432.553 4.114 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)s2)cs1 ZINC000013128493 556477764 /nfs/dbraw/zinc/47/77/64/556477764.db2.gz MEJSGUBHTLLIML-HNNXBMFYSA-N 0 0 445.997 4.498 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000013129562 556479214 /nfs/dbraw/zinc/47/92/14/556479214.db2.gz MBGCFMYNNITCKH-UHFFFAOYSA-N 0 0 429.549 4.093 50 0 IIAARN O=C(NCCC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(Br)cc1 ZINC000014999367 556479510 /nfs/dbraw/zinc/47/95/10/556479510.db2.gz JHPFYSWTXFTSCZ-UHFFFAOYSA-N 0 0 447.354 4.453 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000013132131 556481049 /nfs/dbraw/zinc/48/10/49/556481049.db2.gz UYBQPKPMIJYKPF-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 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/nfs/dbraw/zinc/48/96/84/556489684.db2.gz ZZDBDMWOCZUJCS-SDXDJHTJSA-N 0 0 431.558 4.099 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000030030686 556489895 /nfs/dbraw/zinc/48/98/95/556489895.db2.gz SMKMGMQYVURRCE-FQEVSTJZSA-N 0 0 425.529 4.299 50 0 IIAARN Cc1sc2ncn(CC(=O)c3ccc4c(c3)OCCCO4)c(=O)c2c1-c1ccccc1 ZINC000013163619 556494041 /nfs/dbraw/zinc/49/40/41/556494041.db2.gz VHNYXOCYMKGOIP-UHFFFAOYSA-N 0 0 432.501 4.478 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n(-c2ccccc2)n1 ZINC000013163536 556494059 /nfs/dbraw/zinc/49/40/59/556494059.db2.gz GFCNAGKWGPTPOP-OAQYLSRUSA-N 0 0 432.524 4.118 50 0 IIAARN CC(C)[C@H](C)NC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011071051 556495188 /nfs/dbraw/zinc/49/51/88/556495188.db2.gz XBIKNXSRQLQMKV-DXRVJIQQSA-N 0 0 437.565 4.377 50 0 IIAARN COC(=O)[C@@](C)(c1ccc(Br)cc1)N(C)C(=O)c1csc(-c2ccco2)n1 ZINC000072292703 556501964 /nfs/dbraw/zinc/50/19/64/556501964.db2.gz CUVYGNPNEGCCKY-LJQANCHMSA-N 0 0 449.326 4.326 50 0 IIAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(S(N)(=O)=O)cc1)C(C)(C)N2 ZINC000013381818 556503675 /nfs/dbraw/zinc/50/36/75/556503675.db2.gz YXFDEULHTXYMBW-QOCHGBHMSA-N 0 0 447.607 4.416 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)c(=O)oc2c1 ZINC000032882904 556509267 /nfs/dbraw/zinc/50/92/67/556509267.db2.gz VRIZEADTEXYHDB-QGZVFWFLSA-N 0 0 445.519 4.325 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000032882784 556509347 /nfs/dbraw/zinc/50/93/47/556509347.db2.gz JEILLJIKCXNRGJ-UHFFFAOYSA-N 0 0 438.543 4.255 50 0 IIAARN COc1cc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc(OC)c1OC ZINC000015228060 556512635 /nfs/dbraw/zinc/51/26/35/556512635.db2.gz VKIUICYLZDJWHU-UHFFFAOYSA-N 0 0 426.454 4.105 50 0 IIAARN Cn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000013527550 556512726 /nfs/dbraw/zinc/51/27/26/556512726.db2.gz UBYWINDSZLMNAZ-UHFFFAOYSA-N 0 0 432.867 4.052 50 0 IIAARN CCN1C[C@H](CN(C)C(=O)c2cc(-c3ccco3)nc3onc(C)c32)Oc2ccccc21 ZINC000032895914 556515870 /nfs/dbraw/zinc/51/58/70/556515870.db2.gz FZJXDHQWLPSQAA-INIZCTEOSA-N 0 0 432.480 4.151 50 0 IIAARN CCCCN1C(=S)SC(C)(C)[C@@H]1n1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000003090148 556519287 /nfs/dbraw/zinc/51/92/87/556519287.db2.gz VKEFQXHTISYOPN-ZDUSSCGKSA-N 0 0 448.397 4.310 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000011075860 556520052 /nfs/dbraw/zinc/52/00/52/556520052.db2.gz BRHQMWQHPKNRCX-HXUWFJFHSA-N 0 0 431.511 4.475 50 0 IIAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000013568372 556520975 /nfs/dbraw/zinc/52/09/75/556520975.db2.gz PQFHVKISPZONOK-UHFFFAOYSA-N 0 0 439.002 4.410 50 0 IIAARN CCOc1ccc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)sc2c1 ZINC000013575001 556525065 /nfs/dbraw/zinc/52/50/65/556525065.db2.gz PMOUHSWCQCGCRB-UHFFFAOYSA-N 0 0 444.578 4.389 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4cccc(OC)c4)ccc32)cc1 ZINC000013575719 556525617 /nfs/dbraw/zinc/52/56/17/556525617.db2.gz PDQQDWVFWOWWPA-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1cc(Cl)ccc1Cl)OCCCO3 ZINC000013576701 556526460 /nfs/dbraw/zinc/52/64/60/556526460.db2.gz AESVHNYOXSNGKF-GFCCVEGCSA-N 0 0 428.337 4.463 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000013590079 556529088 /nfs/dbraw/zinc/52/90/88/556529088.db2.gz ORRGGLPOOKVOOZ-GZTJUZNOSA-N 0 0 444.896 4.192 50 0 IIAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(c2c(C)[nH]c3ccccc32)C1=O ZINC000013592345 556530316 /nfs/dbraw/zinc/53/03/16/556530316.db2.gz WNGQTEJGDYICID-AREMUKBSSA-N 0 0 428.488 4.146 50 0 IIAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)n1 ZINC000013593500 556531323 /nfs/dbraw/zinc/53/13/23/556531323.db2.gz WWBSQIVIZXGOOI-SFHVURJKSA-N 0 0 439.475 4.149 50 0 IIAARN O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1)c1cccc2ccccc21 ZINC000013624447 556536426 /nfs/dbraw/zinc/53/64/26/556536426.db2.gz UKHJODIVXBFCMS-UHFFFAOYSA-N 0 0 427.482 4.057 50 0 IIAARN CNc1nnc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)s1 ZINC000015589980 556536519 /nfs/dbraw/zinc/53/65/19/556536519.db2.gz JUEUKQLGQKDGRI-AWEZNQCLSA-N 0 0 439.522 4.389 50 0 IIAARN O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000015620271 556538915 /nfs/dbraw/zinc/53/89/15/556538915.db2.gz UCPBMOLIOSAMBE-UHFFFAOYSA-N 0 0 436.533 4.437 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1cc3nccc(-c4cccs4)n3n1)CCCC2 ZINC000013643826 556543349 /nfs/dbraw/zinc/54/33/49/556543349.db2.gz GDGZWYQRTJGXGT-UHFFFAOYSA-N 0 0 438.534 4.437 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000032721689 556547179 /nfs/dbraw/zinc/54/71/79/556547179.db2.gz JWZMTDRADMKDOW-XMMPIXPASA-N 0 0 437.499 4.279 50 0 IIAARN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032905004 556547546 /nfs/dbraw/zinc/54/75/46/556547546.db2.gz PJEJBMXFMWVTTP-GOSISDBHSA-N 0 0 438.480 4.318 50 0 IIAARN COC(=O)c1c(C)c(C)sc1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000032843283 556547903 /nfs/dbraw/zinc/54/79/03/556547903.db2.gz GBDTWSCZRJNVQK-UHFFFAOYSA-N 0 0 429.494 4.146 50 0 IIAARN O=C(CCn1cnc2onc(-c3ccccc3Cl)c2c1=O)Nc1cc(F)ccc1F ZINC000032933726 556549909 /nfs/dbraw/zinc/54/99/09/556549909.db2.gz AJHNQBAAIQYLRC-UHFFFAOYSA-N 0 0 430.798 4.012 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@@H]1C ZINC000015791778 556551838 /nfs/dbraw/zinc/55/18/38/556551838.db2.gz DVBDWGXKEQSAIN-PMAPCBKXSA-N 0 0 428.598 4.181 50 0 IIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032906911 556554950 /nfs/dbraw/zinc/55/49/50/556554950.db2.gz UYOZBYJTPBDHKJ-AWEZNQCLSA-N 0 0 433.270 4.442 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3cccc(C)c3C)n2)c1 ZINC000015859854 556558446 /nfs/dbraw/zinc/55/84/46/556558446.db2.gz WJTOHUJUDXPODT-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C12CCCCC2 ZINC000071283291 556559576 /nfs/dbraw/zinc/55/95/76/556559576.db2.gz DKJMYNKAQLLELO-QFIPXVFZSA-N 0 0 433.552 4.467 50 0 IIAARN CC(C)[C@H](C)CC(=O)N1CCC(C(=O)NC2CCC(NC(=O)C[C@H](C)C(C)C)CC2)CC1 ZINC000072306377 556560008 /nfs/dbraw/zinc/56/00/08/556560008.db2.gz YLAZMRHYZOPKKK-PGOHRPEISA-N 0 0 449.680 4.133 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc(-n3nnnc3SCc3ccccc3)cc2)c1 ZINC000015869181 556560038 /nfs/dbraw/zinc/56/00/38/556560038.db2.gz VCMBEHVMHNJFDE-UHFFFAOYSA-N 0 0 447.520 4.224 50 0 IIAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccccc1Cl ZINC000072306777 556560522 /nfs/dbraw/zinc/56/05/22/556560522.db2.gz CCUFSUPGAHYFJW-KRWDZBQOSA-N 0 0 435.705 4.098 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](c1cc(Br)cs1)N(C)C ZINC000072306900 556560561 /nfs/dbraw/zinc/56/05/61/556560561.db2.gz JQDJYDFZNNMKAD-IBGZPJMESA-N 0 0 447.402 4.232 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-n2cccc2)c1 ZINC000015881974 556560859 /nfs/dbraw/zinc/56/08/59/556560859.db2.gz YEZDYNDGVGESQK-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN O=C(NC(=S)NN=c1nc[nH]c2sc3c(c21)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000015906001 556562519 /nfs/dbraw/zinc/56/25/19/556562519.db2.gz DLNFWWLNEYKIMV-UHFFFAOYSA-N 0 0 441.626 4.104 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(c2ccccc2)c2ccccc2)c1 ZINC000015912179 556563118 /nfs/dbraw/zinc/56/31/18/556563118.db2.gz TWLKPPKVZPPVJX-UHFFFAOYSA-N 0 0 437.565 4.494 50 0 IIAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000015943810 556566601 /nfs/dbraw/zinc/56/66/01/556566601.db2.gz IGYJPMQNJMAAKJ-QUWFBVPJSA-N 0 0 443.613 4.014 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)c2c1C ZINC000032960402 556566989 /nfs/dbraw/zinc/56/69/89/556566989.db2.gz UCZNSDNYFKXOGK-FQEVSTJZSA-N 0 0 436.556 4.468 50 0 IIAARN COc1ccc(NC(=O)c2nnc(CNC3(c4nc(C)cs4)CCCC3)s2)cc1 ZINC000072308882 556568153 /nfs/dbraw/zinc/56/81/53/556568153.db2.gz SZBSMMQLHOLEME-UHFFFAOYSA-N 0 0 429.571 4.123 50 0 IIAARN C[C@H]1CN(Cc2nc(-c3ccoc3)no2)c2ccccc2N1Cc1nc(-c2ccoc2)no1 ZINC000072308988 556569085 /nfs/dbraw/zinc/56/90/85/556569085.db2.gz GKRYXTCMJQUACZ-HNNXBMFYSA-N 0 0 444.451 4.388 50 0 IIAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000015971426 556569742 /nfs/dbraw/zinc/56/97/42/556569742.db2.gz ZBYFUFMZBYLLLU-GQOCTPOGSA-N 0 0 435.886 4.250 50 0 IIAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc(C)cc2)cc1OC ZINC000015971675 556569977 /nfs/dbraw/zinc/56/99/77/556569977.db2.gz PTYYAIUDXDMLPU-BKMJKUGQSA-N 0 0 442.471 4.093 50 0 IIAARN CCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001172276 556574255 /nfs/dbraw/zinc/57/42/55/556574255.db2.gz PDAINIAESLDOSV-UHFFFAOYSA-N 0 0 434.867 4.326 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033458 556577123 /nfs/dbraw/zinc/57/71/23/556577123.db2.gz SSQDDVLGMRMGMC-CBPXPLCBSA-N 0 0 444.874 4.331 50 0 IIAARN COc1ccc(C2=NN(C(=O)COc3ccc(-c4nnco4)cc3)[C@H](c3ccco3)C2)cc1 ZINC000016045468 556579634 /nfs/dbraw/zinc/57/96/34/556579634.db2.gz YPQNCBJKZOPEKU-NRFANRHFSA-N 0 0 444.447 4.095 50 0 IIAARN COCC(=O)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccccc32)C[C@H]1C ZINC000034812693 556582942 /nfs/dbraw/zinc/58/29/42/556582942.db2.gz HVWVEYXGJOXNSO-CQSZACIVSA-N 0 0 433.430 4.069 50 0 IIAARN CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000032911869 556585352 /nfs/dbraw/zinc/58/53/52/556585352.db2.gz JCSFITPJDHHCJV-QGZVFWFLSA-N 0 0 428.476 4.044 50 0 IIAARN O=C(NCCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000016183558 556587393 /nfs/dbraw/zinc/58/73/93/556587393.db2.gz DAWMODDWTGGIGE-OBGWFSINSA-N 0 0 439.309 4.172 50 0 IIAARN CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000035745010 556590575 /nfs/dbraw/zinc/59/05/75/556590575.db2.gz QCOWIQVIEXRTBL-UHFFFAOYSA-N 0 0 431.487 4.241 50 0 IIAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000016229762 556593484 /nfs/dbraw/zinc/59/34/84/556593484.db2.gz BEMGWKOCWGXDAE-HXUWFJFHSA-N 0 0 449.532 4.026 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000100821757 556593819 /nfs/dbraw/zinc/59/38/19/556593819.db2.gz VNGPTGLOWCNXIH-SFHVURJKSA-N 0 0 437.496 4.206 50 0 IIAARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1cccc2ccccc21 ZINC000016247469 556594050 /nfs/dbraw/zinc/59/40/50/556594050.db2.gz JAPZSVDDRVUXPS-GOTSBHOMSA-N 0 0 439.467 4.335 50 0 IIAARN CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000016286149 556597492 /nfs/dbraw/zinc/59/74/92/556597492.db2.gz DDLNNEKYLMWQEJ-UHFFFAOYSA-N 0 0 429.948 4.033 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000016310542 556599374 /nfs/dbraw/zinc/59/93/74/556599374.db2.gz LEYJHBZPRAKEML-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c(C)c1 ZINC000032975645 556600169 /nfs/dbraw/zinc/60/01/69/556600169.db2.gz AOFKQUNWWSNRQL-WOJBJXKFSA-N 0 0 440.565 4.088 50 0 IIAARN CCOc1ccccc1N1CCN(C(=S)Nc2sc(CC)cc2C(=O)OC)CC1 ZINC000016346011 556601388 /nfs/dbraw/zinc/60/13/88/556601388.db2.gz QYPAZOPOUJCXOL-UHFFFAOYSA-N 0 0 433.599 4.015 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)C[C@H]2C)cc1 ZINC000037285013 556601424 /nfs/dbraw/zinc/60/14/24/556601424.db2.gz VCIPPHWMKKUWEB-MRXNPFEDSA-N 0 0 437.475 4.159 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccccc4F)ncn3)C[C@@H]2C)cc1 ZINC000037285018 556601459 /nfs/dbraw/zinc/60/14/59/556601459.db2.gz GMHMLVWAUOTLJY-INIZCTEOSA-N 0 0 437.475 4.159 50 0 IIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)CCc3ccccc3)[C@@H](C)C2)ncn1 ZINC000037355975 556601889 /nfs/dbraw/zinc/60/18/89/556601889.db2.gz CXVKJOBEQYFASN-FQEVSTJZSA-N 0 0 446.551 4.256 50 0 IIAARN C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000016412307 556606036 /nfs/dbraw/zinc/60/60/36/556606036.db2.gz SOLWVCVIEWWSOY-HOTGVXAUSA-N 0 0 441.582 4.123 50 0 IIAARN CSc1ccccc1NC(=O)[C@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422269 556606272 /nfs/dbraw/zinc/60/62/72/556606272.db2.gz ITHCBPSURXCXGQ-HNNXBMFYSA-N 0 0 438.519 4.362 50 0 IIAARN CSc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032995449 556610713 /nfs/dbraw/zinc/61/07/13/556610713.db2.gz CRZJHDDRVBEQMG-UHFFFAOYSA-N 0 0 444.557 4.291 50 0 IIAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2cccc(SC)c2)c3=O)cc1 ZINC000038487115 556612806 /nfs/dbraw/zinc/61/28/06/556612806.db2.gz UFLTXDVEJVZXID-UHFFFAOYSA-N 0 0 437.546 4.494 50 0 IIAARN CCN(C(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O)c1cccc(C)c1 ZINC000038487105 556612883 /nfs/dbraw/zinc/61/28/83/556612883.db2.gz UEVHNYABTXRYHY-UHFFFAOYSA-N 0 0 433.533 4.495 50 0 IIAARN CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000032916005 556613550 /nfs/dbraw/zinc/61/35/50/556613550.db2.gz FTKNYSZZLHZSNL-UHFFFAOYSA-N 0 0 440.503 4.365 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccc(C)c(NC(C)=O)c2)ccc1=O ZINC000016624584 556618277 /nfs/dbraw/zinc/61/82/77/556618277.db2.gz NKCVFXJKQXZTJV-OAQYLSRUSA-N 0 0 438.915 4.420 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)ccc1C ZINC000016651208 556620675 /nfs/dbraw/zinc/62/06/75/556620675.db2.gz WIDPVFZSAQIYAI-AWEZNQCLSA-N 0 0 440.450 4.045 50 0 IIAARN O=C(NCc1ccco1)N1CCN(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 ZINC000032999129 556627321 /nfs/dbraw/zinc/62/73/21/556627321.db2.gz PNXNTNABJAGJQW-UHFFFAOYSA-N 0 0 435.528 4.409 50 0 IIAARN O=c1/c(=C/c2ccccc2Br)sc2nc(/C=C/c3ccc(Cl)cc3)nn12 ZINC000016735267 556633012 /nfs/dbraw/zinc/63/30/12/556633012.db2.gz FSDPEWDOXUDTDU-CRWKAAGYSA-N 0 0 444.741 4.285 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016737437 556633858 /nfs/dbraw/zinc/63/38/58/556633858.db2.gz IRBUWUCUYDHDAG-NRFANRHFSA-N 0 0 426.428 4.033 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000097938717 556634994 /nfs/dbraw/zinc/63/49/94/556634994.db2.gz RQRRHNKOYXFUSQ-FQEVSTJZSA-N 0 0 445.498 4.403 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1N ZINC000033788974 556635193 /nfs/dbraw/zinc/63/51/93/556635193.db2.gz SHXKIZFTRWCLKP-UHFFFAOYSA-N 0 0 431.521 4.065 50 0 IIAARN CCCCCCOc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005120232 556637018 /nfs/dbraw/zinc/63/70/18/556637018.db2.gz YWACJXGERWJOMF-QFIPXVFZSA-N 0 0 429.582 4.475 50 0 IIAARN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040392181 556638206 /nfs/dbraw/zinc/63/82/06/556638206.db2.gz GUAXNPTVJIEBCT-QMTMVMCOSA-N 0 0 435.503 4.389 50 0 IIAARN COCc1nn2c(ncc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397084 556639494 /nfs/dbraw/zinc/63/94/94/556639494.db2.gz OZTUEORDMNDDHC-UHFFFAOYSA-N 0 0 444.466 4.054 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000037575948 556643561 /nfs/dbraw/zinc/64/35/61/556643561.db2.gz CYQXBDPTQGDLDI-INIZCTEOSA-N 0 0 430.348 4.394 50 0 IIAARN CC(C)CN(C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1ccc(F)cc1 ZINC000037607782 556645456 /nfs/dbraw/zinc/64/54/56/556645456.db2.gz VUSRYZVFVQBOQS-IBGZPJMESA-N 0 0 432.923 4.119 50 0 IIAARN O=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000016842808 556646367 /nfs/dbraw/zinc/64/63/67/556646367.db2.gz HLAVOWIPDHQZQI-UHFFFAOYSA-N 0 0 443.410 4.342 50 0 IIAARN C[C@H]1CN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CCN1C(=O)Cc1ccccc1 ZINC000037623709 556648192 /nfs/dbraw/zinc/64/81/92/556648192.db2.gz XETFRJPDNGABGO-INIZCTEOSA-N 0 0 440.906 4.341 50 0 IIAARN COc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(C)cc4)c3C)nc2C)cc1 ZINC000038487643 556649615 /nfs/dbraw/zinc/64/96/15/556649615.db2.gz KEKBTJMTOWFABA-UHFFFAOYSA-N 0 0 433.537 4.255 50 0 IIAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1 ZINC000038487900 556650603 /nfs/dbraw/zinc/65/06/03/556650603.db2.gz MXDNDMLEJZHARJ-UHFFFAOYSA-N 0 0 431.471 4.187 50 0 IIAARN O=C(CSCC(=O)Nc1ccc(Cl)cc1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751489 556650888 /nfs/dbraw/zinc/65/08/88/556650888.db2.gz AAEUNFUEYUHILA-UHFFFAOYSA-N 0 0 449.941 4.031 50 0 IIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N(Cc1ccco1)c1ccccn1 ZINC000032925562 556653245 /nfs/dbraw/zinc/65/32/45/556653245.db2.gz KIZGWICGQVALRN-UHFFFAOYSA-N 0 0 439.471 4.437 50 0 IIAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)COc4ccc(F)cc4F)c3)csc2n1 ZINC000011769383 556654065 /nfs/dbraw/zinc/65/40/65/556654065.db2.gz TYJUEKOTOKEYNR-UHFFFAOYSA-N 0 0 427.432 4.027 50 0 IIAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1OC ZINC000017051513 556654368 /nfs/dbraw/zinc/65/43/68/556654368.db2.gz DLKHGNVIHILVRO-UHFFFAOYSA-N 0 0 448.548 4.130 50 0 IIAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000032928189 556656503 /nfs/dbraw/zinc/65/65/03/556656503.db2.gz QJRYASFPWIMRLP-UHFFFAOYSA-N 0 0 436.487 4.226 50 0 IIAARN O=C(CCCSc1ccc(NC(=O)c2ccc(F)cc2)nn1)NCc1cccs1 ZINC000011794535 556656684 /nfs/dbraw/zinc/65/66/84/556656684.db2.gz SCNFZNPNEPOVSG-UHFFFAOYSA-N 0 0 430.530 4.118 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cc3sc(NC(C)=O)nc3c(C)c2)cc1Cl ZINC000033007785 556656882 /nfs/dbraw/zinc/65/68/82/556656882.db2.gz ATILJLZPCSNIFO-UHFFFAOYSA-N 0 0 425.919 4.026 50 0 IIAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(Cc2cccs2)CC1 ZINC000017094612 556657882 /nfs/dbraw/zinc/65/78/82/556657882.db2.gz PPFBVCCLTITHHA-UHFFFAOYSA-N 0 0 425.790 4.215 50 0 IIAARN O=C1C[C@@H](N(Cc2ccco2)C(=S)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000100739085 556658492 /nfs/dbraw/zinc/65/84/92/556658492.db2.gz NUOLLMDCJBVLOQ-LJQANCHMSA-N 0 0 439.924 4.464 50 0 IIAARN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)OCc1csc(-c2cccs2)n1 ZINC000011836938 556659916 /nfs/dbraw/zinc/65/99/16/556659916.db2.gz JTFKZZKORUKWIL-UHFFFAOYSA-N 0 0 436.580 4.224 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@@H](C(=O)Nc4ccccc4)[C@H]3C2=O)cc1 ZINC000248076502 556661051 /nfs/dbraw/zinc/66/10/51/556661051.db2.gz BMQAUPASMPCXPU-OJJQZRKESA-N 0 0 449.510 4.024 50 0 IIAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)CSCc4ccccc4)c(=O)c23)C1 ZINC000017097682 556662012 /nfs/dbraw/zinc/66/20/12/556662012.db2.gz SYIZKIAAYUDOPT-GFCCVEGCSA-N 0 0 431.608 4.249 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N(c1cnn(Cc3ccc(Cl)cc3Cl)c1)C2=O ZINC000017097798 556662317 /nfs/dbraw/zinc/66/23/17/556662317.db2.gz YJHKHKBHMFRXJL-UHFFFAOYSA-N 0 0 432.263 4.056 50 0 IIAARN CCOc1ccc(NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000033013677 556663123 /nfs/dbraw/zinc/66/31/23/556663123.db2.gz NOSWUUFCMBBKJR-UHFFFAOYSA-N 0 0 432.480 4.247 50 0 IIAARN CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1csc2c1CCCC2 ZINC000017099185 556664475 /nfs/dbraw/zinc/66/44/75/556664475.db2.gz WZBXYAZLBYBBGO-UHFFFAOYSA-N 0 0 434.616 4.186 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000248119359 556666773 /nfs/dbraw/zinc/66/67/73/556666773.db2.gz UPQJFCTUIOUPFC-QRWLVFNGSA-N 0 0 448.585 4.356 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1C ZINC000248155099 556669523 /nfs/dbraw/zinc/66/95/23/556669523.db2.gz LPRNTVANBTUBJO-UARRHKHWSA-N 0 0 438.483 4.295 50 0 IIAARN O=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000032932761 556675806 /nfs/dbraw/zinc/67/58/06/556675806.db2.gz LOKFOXHXRMYOTR-UHFFFAOYSA-N 0 0 426.460 4.472 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)C2(n3cccc3)CCCCC2)CC1 ZINC000033019374 556676108 /nfs/dbraw/zinc/67/61/08/556676108.db2.gz WZABHHIRCXRPMF-UHFFFAOYSA-N 0 0 429.008 4.048 50 0 IIAARN Cn1c2ccccc2n(CCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c1=O ZINC000011962956 556677065 /nfs/dbraw/zinc/67/70/65/556677065.db2.gz OSYNEBIUOYAKNZ-UHFFFAOYSA-N 0 0 427.913 4.250 50 0 IIAARN COc1ccccc1Nc1nn(CN(C[C@H]2CCCO2)C[C@@H]2CCCO2)c(=S)s1 ZINC000032935439 556678194 /nfs/dbraw/zinc/67/81/94/556678194.db2.gz GPYDNZVFIZTVCT-IYBDPMFKSA-N 0 0 436.603 4.044 50 0 IIAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1C ZINC000012008249 556680678 /nfs/dbraw/zinc/68/06/78/556680678.db2.gz QZLCJLNEJVGDBJ-UHFFFAOYSA-N 0 0 443.385 4.104 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)cc1C ZINC000017986746 556680735 /nfs/dbraw/zinc/68/07/35/556680735.db2.gz DRWHZGVAHJCRMD-RTOPAQNCSA-N 0 0 433.504 4.269 50 0 IIAARN O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1F ZINC000012009150 556680896 /nfs/dbraw/zinc/68/08/96/556680896.db2.gz BWIGZUYNWKETRW-UHFFFAOYSA-N 0 0 441.422 4.274 50 0 IIAARN O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3ccc(=O)oc3c2)CC1)OCc1ccccc1 ZINC000238901053 556682004 /nfs/dbraw/zinc/68/20/04/556682004.db2.gz KRBGBZCKRIMCBX-IRJFHVNHSA-N 0 0 435.476 4.431 50 0 biogenic IIAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc4sc(NC(C)=O)nc4c3)n[nH]c1-2 ZINC000033020126 556684852 /nfs/dbraw/zinc/68/48/52/556684852.db2.gz PZOVYAYTBKQVBF-UHFFFAOYSA-N 0 0 433.493 4.004 50 0 IIAARN O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000060322741 556684879 /nfs/dbraw/zinc/68/48/79/556684879.db2.gz ZXYJADRXJWSUGY-FQEVSTJZSA-N 0 0 442.562 4.010 50 0 IIAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018191328 556686019 /nfs/dbraw/zinc/68/60/19/556686019.db2.gz AKDZFFIFFKQRIS-HZHRSRAPSA-N 0 0 430.460 4.352 50 0 IIAARN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(C(=O)OC)=C1C ZINC000002053966 556686140 /nfs/dbraw/zinc/68/61/40/556686140.db2.gz CIVVLXOLYOVAAF-PXLXIMEGSA-N 0 0 436.552 4.420 50 0 IIAARN CC(C)c1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000010637428 556686348 /nfs/dbraw/zinc/68/63/48/556686348.db2.gz RVJVDFWHZYRMEU-UHFFFAOYSA-N 0 0 427.979 4.347 50 0 IIAARN CN1C(C(=O)NCc2ccccc2)=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000033022325 556687344 /nfs/dbraw/zinc/68/73/44/556687344.db2.gz GAAZAKJARSKZDR-UHFFFAOYSA-N 0 0 438.936 4.050 50 0 IIAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nc5c(cccc5C)s4)CC3=O)c2c1 ZINC000018217643 556687379 /nfs/dbraw/zinc/68/73/79/556687379.db2.gz APXHONMRFHCWFQ-KRWDZBQOSA-N 0 0 432.549 4.424 50 0 IIAARN O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000018276245 556689005 /nfs/dbraw/zinc/68/90/05/556689005.db2.gz GATDPXWYIHEDFA-XMMPIXPASA-N 0 0 445.494 4.072 50 0 IIAARN CCOC(=O)C1=C(O)CC(Nc2ccc(Br)cn2)=C[C@H]1c1cccc(OC)c1 ZINC000001079961 556690212 /nfs/dbraw/zinc/69/02/12/556690212.db2.gz XIPYCTKLEHZMCO-PXNSSMCTSA-N 0 0 445.313 4.084 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3cccs3)nn2c1C ZINC000046023949 556691113 /nfs/dbraw/zinc/69/11/13/556691113.db2.gz MFTYRRIDUUXRAF-UHFFFAOYSA-N 0 0 427.917 4.313 50 0 IIAARN O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010644019 556691561 /nfs/dbraw/zinc/69/15/61/556691561.db2.gz ZCFFERCXUGOJTA-FPOVZHCZSA-N 0 0 436.943 4.016 50 0 IIAARN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000072313594 556693919 /nfs/dbraw/zinc/69/39/19/556693919.db2.gz NXYNKVNHFOSILY-SFTDATJTSA-N 0 0 434.584 4.439 50 0 IIAARN COc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000033026025 556701985 /nfs/dbraw/zinc/70/19/85/556701985.db2.gz NYBKVJIUTSLXQL-HRAATJIYSA-N 0 0 434.989 4.019 50 0 IIAARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000013610227 556702540 /nfs/dbraw/zinc/70/25/40/556702540.db2.gz OQOFMBGENDNRRL-UHFFFAOYSA-N 0 0 432.851 4.323 50 0 IIAARN Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCc4ccco4)c3)s2)c1 ZINC000033027368 556706436 /nfs/dbraw/zinc/70/64/36/556706436.db2.gz CBKDNOXPHWNJMQ-UHFFFAOYSA-N 0 0 448.504 4.201 50 0 IIAARN CN(Cc1ccco1)C(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027272 556706783 /nfs/dbraw/zinc/70/67/83/556706783.db2.gz LWQXGAAJFYMKOI-UHFFFAOYSA-N 0 0 448.504 4.235 50 0 IIAARN O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1nnc(COc2ccccc2)s1 ZINC000033027240 556706862 /nfs/dbraw/zinc/70/68/62/556706862.db2.gz OINLMVNIOFPQBO-UHFFFAOYSA-N 0 0 436.537 4.432 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027950 556708387 /nfs/dbraw/zinc/70/83/87/556708387.db2.gz NYAGBVXRDHEDSO-UHFFFAOYSA-N 0 0 436.537 4.386 50 0 IIAARN CN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033028003 556708410 /nfs/dbraw/zinc/70/84/10/556708410.db2.gz DRAHYZADCSQPBD-UHFFFAOYSA-N 0 0 448.504 4.235 50 0 IIAARN CN(C)C(=O)[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000019297777 556734799 /nfs/dbraw/zinc/73/47/99/556734799.db2.gz IJRXANRVFAICLW-HSZRJFAPSA-N 0 0 449.624 4.234 50 0 IIAARN Cc1ccc(-c2nc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)c(C)c3)cs2)o1 ZINC000078770129 556736321 /nfs/dbraw/zinc/73/63/21/556736321.db2.gz ONEDRPYVVCWEEK-KRWDZBQOSA-N 0 0 427.551 4.482 50 0 IIAARN COc1cc(Br)cc(C)c1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000079015980 556736858 /nfs/dbraw/zinc/73/68/58/556736858.db2.gz PDLHMOSWOKXLRP-UHFFFAOYSA-N 0 0 434.286 4.139 50 0 IIAARN COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000055371225 556740801 /nfs/dbraw/zinc/74/08/01/556740801.db2.gz CYQWDLMNJVUEAI-UHFFFAOYSA-N 0 0 443.396 4.475 50 0 IIAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)[C@H](C)C3CC3)C2=O)cc1 ZINC000019353764 556744944 /nfs/dbraw/zinc/74/49/44/556744944.db2.gz RRJCHRRHABWOJM-WINIVTDRSA-N 0 0 447.579 4.233 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000033048946 556746047 /nfs/dbraw/zinc/74/60/47/556746047.db2.gz SSMQJUJNMSDLGA-UHFFFAOYSA-N 0 0 437.421 4.399 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000072333020 556749360 /nfs/dbraw/zinc/74/93/60/556749360.db2.gz WUPSPWKWOFACSO-INIZCTEOSA-N 0 0 431.279 4.388 50 0 IIAARN O=C(COc1ccc(Br)cc1F)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000057991934 556750916 /nfs/dbraw/zinc/75/09/16/556750916.db2.gz VQTGPUYBHZQKMC-KRWDZBQOSA-N 0 0 434.265 4.334 50 0 IIAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000058017929 556754315 /nfs/dbraw/zinc/75/43/15/556754315.db2.gz DPONZONDAUDPSD-OAQYLSRUSA-N 0 0 445.450 4.077 50 0 IIAARN CCN(CC(=O)Nc1ccc(OC)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105496 556758480 /nfs/dbraw/zinc/75/84/80/556758480.db2.gz SPQGIRGQNAYYAE-HSZRJFAPSA-N 0 0 434.536 4.063 50 0 IIAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000058160158 556764416 /nfs/dbraw/zinc/76/44/16/556764416.db2.gz JYUSOJDPMMNLTI-UHFFFAOYSA-N 0 0 449.938 4.037 50 0 IIAARN COc1ccc(-c2nsc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2N)cc1 ZINC000062007109 556765163 /nfs/dbraw/zinc/76/51/63/556765163.db2.gz IWTWHPAEPRXUDU-UHFFFAOYSA-N 0 0 428.945 4.017 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@@H](C)c1ccc(F)cc1 ZINC000058166953 556767126 /nfs/dbraw/zinc/76/71/26/556767126.db2.gz ZTTKBWKOPAIVII-KRWDZBQOSA-N 0 0 444.576 4.221 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN[C@@H](c1cccs1)c1ccccc1 ZINC000058173666 556768815 /nfs/dbraw/zinc/76/88/15/556768815.db2.gz LXQCDYOFFCOTBI-JOCHJYFZSA-N 0 0 427.957 4.144 50 0 IIAARN O=C(Nc1cccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1)c1cccs1 ZINC000058209253 556771695 /nfs/dbraw/zinc/77/16/95/556771695.db2.gz HMLFLWGPHQEZCY-UHFFFAOYSA-N 0 0 439.562 4.050 50 0 IIAARN Cn1ccnc1-c1sc(NC(=O)c2cn(-c3ccccc3)nn2)nc1-c1ccccc1 ZINC000058210932 556772398 /nfs/dbraw/zinc/77/23/98/556772398.db2.gz MORPTZWPSGDRPB-UHFFFAOYSA-N 0 0 427.493 4.044 50 0 IIAARN CC(=O)[C@H]1CC(C(=O)Nc2nnc(SCc3cccs3)s2)=NN1c1ccccc1 ZINC000058277751 556777172 /nfs/dbraw/zinc/77/71/72/556777172.db2.gz YXFLGCRYEBEONC-MRXNPFEDSA-N 0 0 443.579 4.054 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cnc(C)s2)cc1 ZINC000058304893 556778623 /nfs/dbraw/zinc/77/86/23/556778623.db2.gz JPPHVEAOVABECU-UHFFFAOYSA-N 0 0 444.582 4.331 50 0 IIAARN O=C(NCCc1coc(-c2ccccc2)n1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000058305182 556778719 /nfs/dbraw/zinc/77/87/19/556778719.db2.gz IEHHXZGPLHQDKO-UHFFFAOYSA-N 0 0 426.904 4.196 50 0 IIAARN COc1ncccc1CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000058306651 556779057 /nfs/dbraw/zinc/77/90/57/556779057.db2.gz ZHGZSEBBEXLQPR-UHFFFAOYSA-N 0 0 429.274 4.362 50 0 IIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nccn3CC(F)(F)F)c12 ZINC000058312073 556779816 /nfs/dbraw/zinc/77/98/16/556779816.db2.gz CCHQSZAXYBVKCS-UHFFFAOYSA-N 0 0 429.402 4.229 50 0 IIAARN CCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c32)cc1 ZINC000058341083 556781908 /nfs/dbraw/zinc/78/19/08/556781908.db2.gz HCWHKVBSCVPFTL-UHFFFAOYSA-N 0 0 439.537 4.037 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000058407770 556786379 /nfs/dbraw/zinc/78/63/79/556786379.db2.gz PVDPCGJOJDBPJN-HUUCEWRRSA-N 0 0 439.528 4.117 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nn2C(C)(C)C)cc1 ZINC000059037664 556794360 /nfs/dbraw/zinc/79/43/60/556794360.db2.gz LYSOWHWMANBJJC-MRXNPFEDSA-N 0 0 446.617 4.037 50 0 IIAARN Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000059422314 556800481 /nfs/dbraw/zinc/80/04/81/556800481.db2.gz LRFKUJPHVZWAQI-QHCPKHFHSA-N 0 0 438.593 4.462 50 0 IIAARN NC(=O)CSc1ccccc1C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000059422197 556800493 /nfs/dbraw/zinc/80/04/93/556800493.db2.gz YZNWHXJVTJYRJL-UHFFFAOYSA-N 0 0 434.496 4.123 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000002640501 556801692 /nfs/dbraw/zinc/80/16/92/556801692.db2.gz DWRSQFNAUHKRSF-UHFFFAOYSA-N 0 0 448.466 4.114 50 0 IIAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NCc1ccccc1Cl ZINC000002726138 556803490 /nfs/dbraw/zinc/80/34/90/556803490.db2.gz WJJLMXXVCTVHEO-UHFFFAOYSA-N 0 0 437.750 4.296 50 0 IIAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc4c(c2)OCCO4)n1)CCCC3 ZINC000003204903 556804342 /nfs/dbraw/zinc/80/43/42/556804342.db2.gz BDRJFKBIGJTQQN-UHFFFAOYSA-N 0 0 427.551 4.381 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2cccc(Cl)c2)c1NC(=O)C(C)C ZINC000005451326 556806528 /nfs/dbraw/zinc/80/65/28/556806528.db2.gz PCHIQIZHVKUUQW-UHFFFAOYSA-N 0 0 426.966 4.222 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000003314244 556809787 /nfs/dbraw/zinc/80/97/87/556809787.db2.gz AUWFTDPLKNKPJS-UHFFFAOYSA-N 0 0 443.443 4.285 50 0 IIAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)OCc1ccccc1 ZINC000003320506 556810224 /nfs/dbraw/zinc/81/02/24/556810224.db2.gz DUAULDHMNNYWPA-HSZRJFAPSA-N 0 0 439.508 4.247 50 0 IIAARN Cc1cc(NC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)ccc1Br ZINC000033061583 556817258 /nfs/dbraw/zinc/81/72/58/556817258.db2.gz PWEFQXJCLXQUFK-UHFFFAOYSA-N 0 0 445.342 4.433 50 0 IIAARN COCCCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)c1C ZINC000005492949 556818611 /nfs/dbraw/zinc/81/86/11/556818611.db2.gz HTHRIHFURADSBJ-UHFFFAOYSA-N 0 0 427.574 4.216 50 0 IIAARN COc1cccc2c(=O)cc(CSc3nnc(COc4cc(C)ccc4C)n3C)[nH]c12 ZINC000033067738 556819513 /nfs/dbraw/zinc/81/95/13/556819513.db2.gz STMDJSNPCJHVNJ-UHFFFAOYSA-N 0 0 436.537 4.153 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067883 556820016 /nfs/dbraw/zinc/82/00/16/556820016.db2.gz VMBZZFZEPVGZLZ-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCCC1 ZINC000005317291 556826966 /nfs/dbraw/zinc/82/69/66/556826966.db2.gz ZBIWITJVPSZWRP-UTKZUKDTSA-N 0 0 425.529 4.079 50 0 IIAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccc(Cl)c4)cc32)cc1 ZINC000065003149 556831257 /nfs/dbraw/zinc/83/12/57/556831257.db2.gz FUXMBCYNVZNDCU-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN C[C@H]1Cc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000065003672 556831756 /nfs/dbraw/zinc/83/17/56/556831756.db2.gz CWEBXHSOEUQFHF-INIZCTEOSA-N 0 0 440.952 4.410 50 0 IIAARN COc1ccc(NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2OC)N2CCOCC2)cc1 ZINC000096558255 556833878 /nfs/dbraw/zinc/83/38/78/556833878.db2.gz WPGHABWTQNFEIC-GOSISDBHSA-N 0 0 425.312 4.023 50 0 IIAARN CC(C)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C[C@@H]1CCCO1 ZINC000019639042 556836759 /nfs/dbraw/zinc/83/67/59/556836759.db2.gz OUBLBQXQWMFYRT-INIZCTEOSA-N 0 0 443.598 4.435 50 0 IIAARN Cc1ccc(C)c(NC(=S)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000019644009 556839017 /nfs/dbraw/zinc/83/90/17/556839017.db2.gz VAKDTCYFEQIFER-UHFFFAOYSA-N 0 0 445.654 4.304 50 0 IIAARN Cc1sc2nc(SCc3ccc(F)cc3)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000019646463 556840438 /nfs/dbraw/zinc/84/04/38/556840438.db2.gz MVHUCMWPZCZBQG-UHFFFAOYSA-N 0 0 447.601 4.229 50 0 IIAARN O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998297 556840834 /nfs/dbraw/zinc/84/08/34/556840834.db2.gz DGFAOKXUYWLBMI-UHFFFAOYSA-N 0 0 425.938 4.129 50 0 IIAARN CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011214908 556842934 /nfs/dbraw/zinc/84/29/34/556842934.db2.gz ANCITMOFRNHRFY-UHFFFAOYSA-N 0 0 435.480 4.079 50 0 IIAARN COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000008729142 556843740 /nfs/dbraw/zinc/84/37/40/556843740.db2.gz XFFPVJHEOZEWOT-ZIAGYGMSSA-N 0 0 438.355 4.138 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)C1 ZINC000008765193 556845588 /nfs/dbraw/zinc/84/55/88/556845588.db2.gz YKWNMRRPEIHVQV-QGZVFWFLSA-N 0 0 439.508 4.199 50 0 biogenic IIAARN O=C(NCCCn1ccnc1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000008791845 556846598 /nfs/dbraw/zinc/84/65/98/556846598.db2.gz OZDKONZTBSVJDU-UHFFFAOYSA-N 0 0 439.475 4.128 50 0 biogenic IIAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000068713321 556849522 /nfs/dbraw/zinc/84/95/22/556849522.db2.gz IAEJHSYUGVKGDJ-MHZLTWQESA-N 0 0 445.515 4.198 50 0 IIAARN Cc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c(C)c1 ZINC000033087823 556855496 /nfs/dbraw/zinc/85/54/96/556855496.db2.gz QFSUVCYGYJLUJK-UHFFFAOYSA-N 0 0 443.594 4.141 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1 ZINC000033089224 556857803 /nfs/dbraw/zinc/85/78/03/556857803.db2.gz JPPNMNZZVBISTP-LLVKDONJSA-N 0 0 425.282 4.336 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033113384 556860164 /nfs/dbraw/zinc/86/01/64/556860164.db2.gz MXLKZHDIZGUFHS-AWEZNQCLSA-N 0 0 425.489 4.341 50 0 IIAARN O=C(Cc1cccs1)N1CCC(c2nnc(C(=O)Nc3ccc(F)cc3F)s2)CC1 ZINC000033114025 556860954 /nfs/dbraw/zinc/86/09/54/556860954.db2.gz WLGXPDVWZGVQPT-UHFFFAOYSA-N 0 0 448.520 4.079 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(COc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC000033114281 556861247 /nfs/dbraw/zinc/86/12/47/556861247.db2.gz VJXNMOHZGHGOJP-UHFFFAOYSA-N 0 0 436.537 4.350 50 0 IIAARN COc1ccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1OC ZINC000033127830 556864851 /nfs/dbraw/zinc/86/48/51/556864851.db2.gz ACLVGZFQXHYDOE-QHCPKHFHSA-N 0 0 431.492 4.156 50 0 IIAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@H]2CCCO2)cc1 ZINC000004673086 556868132 /nfs/dbraw/zinc/86/81/32/556868132.db2.gz SDJGJWVJJIOCLC-VWNXMTODSA-N 0 0 428.573 4.089 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3-c3ocnc3C(=O)OC(C)C)CC2)c1 ZINC000033131144 556871636 /nfs/dbraw/zinc/87/16/36/556871636.db2.gz MYUQMNGTIPIMFZ-UHFFFAOYSA-N 0 0 447.535 4.486 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955193 556880500 /nfs/dbraw/zinc/88/05/00/556880500.db2.gz OIPMLQRSGHHVDU-QGUKFAFCSA-N 0 0 436.552 4.339 50 0 biogenic IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc4c(c3)CCC4)c2cc1OC ZINC000033172826 556883247 /nfs/dbraw/zinc/88/32/47/556883247.db2.gz CCPFWBHARJJFJG-UHFFFAOYSA-N 0 0 434.521 4.348 50 0 IIAARN Cn1c(=O)c(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)nc2cccnc21 ZINC000033170373 556885679 /nfs/dbraw/zinc/88/56/79/556885679.db2.gz NYBQDWVYTCMUTM-UHFFFAOYSA-N 0 0 440.381 4.146 50 0 IIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000060538560 556887268 /nfs/dbraw/zinc/88/72/68/556887268.db2.gz FHEFMPSCQLWFRY-UHFFFAOYSA-N 0 0 445.522 4.285 50 0 IIAARN COCC1CCN(c2c3ccc(F)cc3ncc2S(=O)(=O)c2cccc(F)c2)CC1 ZINC000071775299 556888044 /nfs/dbraw/zinc/88/80/44/556888044.db2.gz AGQPJFOGRRINIH-UHFFFAOYSA-N 0 0 432.492 4.209 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccc(F)cc32)cc1 ZINC000033249320 556888997 /nfs/dbraw/zinc/88/89/97/556888997.db2.gz BHDJAUFWEJOAFI-UHFFFAOYSA-N 0 0 426.513 4.387 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccc(F)cc32)cc1 ZINC000033249317 556889056 /nfs/dbraw/zinc/88/90/56/556889056.db2.gz JWDVXJFLOWTRRO-UHFFFAOYSA-N 0 0 442.512 4.087 50 0 IIAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)cc2)no1 ZINC000033254423 556890519 /nfs/dbraw/zinc/89/05/19/556890519.db2.gz BAKRVMLFVYBDKK-HSZRJFAPSA-N 0 0 444.535 4.091 50 0 IIAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033255731 556895086 /nfs/dbraw/zinc/89/50/86/556895086.db2.gz YWYRWSCLJHONKO-OALUTQOASA-N 0 0 446.956 4.124 50 0 IIAARN COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033258241 556895903 /nfs/dbraw/zinc/89/59/03/556895903.db2.gz VBXMCZGPDSRAAE-UHFFFAOYSA-N 0 0 433.512 4.285 50 0 IIAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)Nc1cccc2ccccc21 ZINC000019825368 556925968 /nfs/dbraw/zinc/92/59/68/556925968.db2.gz CXQIHORQGAHOBV-UHFFFAOYSA-N 0 0 430.533 4.350 50 0 IIAARN Cc1ccc(N2CCN(C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1C ZINC000019831684 556926711 /nfs/dbraw/zinc/92/67/11/556926711.db2.gz VJOSXTDZEAPVGQ-SANMLTNESA-N 0 0 444.575 4.096 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019863100 556934304 /nfs/dbraw/zinc/93/43/04/556934304.db2.gz DRWASWWWUIMWLQ-OAHLLOKOSA-N 0 0 444.450 4.025 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889744 556938802 /nfs/dbraw/zinc/93/88/02/556938802.db2.gz HBUCLFMAFWFRFF-UHFFFAOYSA-N 0 0 426.513 4.125 50 0 IIAARN COC(=O)[C@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000019907327 556942677 /nfs/dbraw/zinc/94/26/77/556942677.db2.gz CVDHVRYSSGYHQW-RPWUZVMVSA-N 0 0 432.495 4.488 50 0 IIAARN Cc1cccc(N2CCN(C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1C ZINC000019908962 556942813 /nfs/dbraw/zinc/94/28/13/556942813.db2.gz MOPMTTNZFNAOHN-VWLOTQADSA-N 0 0 444.575 4.096 50 0 IIAARN Cc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911403 556943402 /nfs/dbraw/zinc/94/34/02/556943402.db2.gz IEPNXMSXLQPORU-UHFFFAOYSA-N 0 0 428.317 4.328 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962157 556955918 /nfs/dbraw/zinc/95/59/18/556955918.db2.gz AUTCLEXXSUGBLU-HSZRJFAPSA-N 0 0 440.503 4.204 50 0 IIAARN O=C1CS[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N1c1cccc(Cl)c1 ZINC000072422413 556977465 /nfs/dbraw/zinc/97/74/65/556977465.db2.gz FWMYPXYHLIGUFE-QFIPXVFZSA-N 0 0 427.957 4.063 50 0 IIAARN COc1cc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc(OC)c1 ZINC000020095699 556979466 /nfs/dbraw/zinc/97/94/66/556979466.db2.gz NLXFJIOJTUAYQA-MRXNPFEDSA-N 0 0 433.508 4.006 50 0 IIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000020095869 556979778 /nfs/dbraw/zinc/97/97/78/556979778.db2.gz JQBMEUZKSJLNIA-UHFFFAOYSA-N 0 0 440.503 4.277 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000011239355 556980990 /nfs/dbraw/zinc/98/09/90/556980990.db2.gz VXXIANAYLMMWAY-UHFFFAOYSA-N 0 0 433.842 4.269 50 0 IIAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000043732337 556981270 /nfs/dbraw/zinc/98/12/70/556981270.db2.gz ZBYFUFMZBYLLLU-JKHABCDFSA-N 0 0 435.886 4.250 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1 ZINC000097086961 556983117 /nfs/dbraw/zinc/98/31/17/556983117.db2.gz FBTPWFAOVIKVEZ-IBGZPJMESA-N 0 0 436.537 4.450 50 0 IIAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)c1 ZINC000033268657 556985355 /nfs/dbraw/zinc/98/53/55/556985355.db2.gz AGMCAYITJBPGNG-UHFFFAOYSA-N 0 0 435.867 4.188 50 0 IIAARN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)Cc1cscn1 ZINC000020135943 556988338 /nfs/dbraw/zinc/98/83/38/556988338.db2.gz GCZRKVGZFKYMHJ-UHFFFAOYSA-N 0 0 439.566 4.261 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)cc1OC ZINC000020137537 556988800 /nfs/dbraw/zinc/98/88/00/556988800.db2.gz WVHLIDGUXCSGPI-UHFFFAOYSA-N 0 0 432.480 4.473 50 0 IIAARN COC(=O)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(Br)c1 ZINC000076818148 556993296 /nfs/dbraw/zinc/99/32/96/556993296.db2.gz ZXXWHLITCFFHLA-UHFFFAOYSA-N 0 0 431.283 4.307 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020176653 556995201 /nfs/dbraw/zinc/99/52/01/556995201.db2.gz POCFRWSXHAUJKL-NRFANRHFSA-N 0 0 441.503 4.437 50 0 IIAARN COc1ccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000020324355 557007799 /nfs/dbraw/zinc/00/77/99/557007799.db2.gz VYDDEQXZHMELKQ-QHCPKHFHSA-N 0 0 443.503 4.370 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccc(F)cc2)c2ccccc23)cc1 ZINC000020355921 557009978 /nfs/dbraw/zinc/00/99/78/557009978.db2.gz PGDTUCUCLDEMFC-UHFFFAOYSA-N 0 0 447.495 4.170 50 0 IIAARN C[C@@H]1CCCCN1c1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 ZINC000020358661 557011617 /nfs/dbraw/zinc/01/16/17/557011617.db2.gz WLUSFWYKGABRCT-CQSZACIVSA-N 0 0 428.989 4.467 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1 ZINC000023127029 557011659 /nfs/dbraw/zinc/01/16/59/557011659.db2.gz HERIDPNICXGNFI-UHFFFAOYSA-N 0 0 437.546 4.401 50 0 IIAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2c(F)cccc2F)CC1 ZINC000020388997 557012322 /nfs/dbraw/zinc/01/23/22/557012322.db2.gz HUZOJCLKTNNTOQ-UHFFFAOYSA-N 0 0 426.467 4.259 50 0 IIAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CCN(C)C3 ZINC000020392666 557012645 /nfs/dbraw/zinc/01/26/45/557012645.db2.gz BAGJLBKTEKSEOV-UHFFFAOYSA-N 0 0 446.001 4.238 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)cc1 ZINC000045971265 557014281 /nfs/dbraw/zinc/01/42/81/557014281.db2.gz JWKNLTSFXDMECT-UHFFFAOYSA-N 0 0 444.520 4.092 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)c1 ZINC000045971263 557014326 /nfs/dbraw/zinc/01/43/26/557014326.db2.gz YNEMXIFAFSMPSD-UHFFFAOYSA-N 0 0 444.520 4.092 50 0 IIAARN Cn1c(CN2CCN(c3ccc(NC(=O)c4ccco4)cc3Cl)CC2)nc2ccccc21 ZINC000020428245 557016036 /nfs/dbraw/zinc/01/60/36/557016036.db2.gz ISETUNOAULFVIU-UHFFFAOYSA-N 0 0 449.942 4.394 50 0 IIAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCN(C)C3 ZINC000020440394 557016885 /nfs/dbraw/zinc/01/68/85/557016885.db2.gz FEFNNJZYTZOJIE-UHFFFAOYSA-N 0 0 439.610 4.221 50 0 IIAARN COC(=O)c1sc2ccccc2c1NC(=O)CCCS(=O)(=O)Cc1ccccc1 ZINC000010687116 557017528 /nfs/dbraw/zinc/01/75/28/557017528.db2.gz ZYFDYWQGSLEZRB-UHFFFAOYSA-N 0 0 431.535 4.022 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1 ZINC000045992513 557018249 /nfs/dbraw/zinc/01/82/49/557018249.db2.gz WITBWLCCDHKNAJ-JTQLQIEISA-N 0 0 442.825 4.364 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000046012003 557018442 /nfs/dbraw/zinc/01/84/42/557018442.db2.gz DVRWASPLLRMWKI-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692276 557018726 /nfs/dbraw/zinc/01/87/26/557018726.db2.gz DLLJPSZZZGPNOZ-UHFFFAOYSA-N 0 0 441.380 4.482 50 0 IIAARN Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)c2c1cnn2-c1ccc(F)cc1 ZINC000023137619 557019532 /nfs/dbraw/zinc/01/95/32/557019532.db2.gz VPKFHGQJHVGKLF-UHFFFAOYSA-N 0 0 429.427 4.272 50 0 IIAARN O=S(=O)(c1ccc2nc(N3CCC(Cc4ccccc4)CC3)ccc2c1)N1CCCC1 ZINC000032943590 557020606 /nfs/dbraw/zinc/02/06/06/557020606.db2.gz IMZPELKNYYMNIL-UHFFFAOYSA-N 0 0 435.593 4.478 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cc1cc(=O)[nH]c(SCc2ccccc2F)n1 ZINC000023138438 557021539 /nfs/dbraw/zinc/02/15/39/557021539.db2.gz MUVCWBRQHPGSJI-UHFFFAOYSA-N 0 0 433.892 4.045 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC[C@H]1CCCO1 ZINC000010729948 557021783 /nfs/dbraw/zinc/02/17/83/557021783.db2.gz IOZOZRXXDHYXHQ-HXUWFJFHSA-N 0 0 448.519 4.083 50 0 IIAARN CCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032306 557024785 /nfs/dbraw/zinc/02/47/85/557024785.db2.gz YWQUWSLFKZLCJP-UHFFFAOYSA-N 0 0 434.565 4.315 50 0 IIAARN O=C(Nc1nnc(SCc2cc(=O)n3cc(Cl)ccc3n2)s1)Nc1ccccc1 ZINC000046031646 557024816 /nfs/dbraw/zinc/02/48/16/557024816.db2.gz GFHMDDLSRQAOAH-UHFFFAOYSA-N 0 0 444.929 4.136 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)c(OC)c1 ZINC000023143279 557025176 /nfs/dbraw/zinc/02/51/76/557025176.db2.gz CFPJLFYHFFZYGV-UHFFFAOYSA-N 0 0 448.523 4.025 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(Cc1ccccc1)c1ccccn1 ZINC000010779710 557026268 /nfs/dbraw/zinc/02/62/68/557026268.db2.gz ISSRURWOQJSHDH-UHFFFAOYSA-N 0 0 449.576 4.493 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2ccccc2c1=O ZINC000010785562 557026755 /nfs/dbraw/zinc/02/67/55/557026755.db2.gz LAFFOLLXRHKCNW-UHFFFAOYSA-N 0 0 439.581 4.425 50 0 IIAARN COc1cccc(-c2nc(CSc3nnc(-c4ccc(C)cc4)n3N)cs2)c1OC ZINC000010785209 557027149 /nfs/dbraw/zinc/02/71/49/557027149.db2.gz XJPBMBKVVBDZLU-UHFFFAOYSA-N 0 0 439.566 4.400 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046079017 557033842 /nfs/dbraw/zinc/03/38/42/557033842.db2.gz OEUMQEPCJMHBEU-UHFFFAOYSA-N 0 0 432.451 4.458 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046079015 557033859 /nfs/dbraw/zinc/03/38/59/557033859.db2.gz NFNRLHTWQWWVLU-UHFFFAOYSA-N 0 0 432.451 4.458 50 0 IIAARN O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000010847403 557035231 /nfs/dbraw/zinc/03/52/31/557035231.db2.gz QKBPMRJVZMCNEM-UHFFFAOYSA-N 0 0 446.473 4.248 50 0 IIAARN O=C1C2=C(CN1Cc1ccc(F)cc1)NC(=O)N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000017189472 557035275 /nfs/dbraw/zinc/03/52/75/557035275.db2.gz ZQCRUSUQVISYNN-DEOSSOPVSA-N 0 0 443.478 4.055 50 0 IIAARN C[C@H](C(=O)NCCc1ccco1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125146 557037806 /nfs/dbraw/zinc/03/78/06/557037806.db2.gz HIHLXPXSMBDZNA-HNNXBMFYSA-N 0 0 427.932 4.262 50 0 IIAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1cccc2ccccc21 ZINC000017201177 557040546 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O=C(c1coc(-c2ccccc2)n1)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1 ZINC000033327744 557110348 /nfs/dbraw/zinc/11/03/48/557110348.db2.gz JDXQBKUNYZVDHG-UHFFFAOYSA-N 0 0 449.898 4.003 50 0 IIAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003136414 557110955 /nfs/dbraw/zinc/11/09/55/557110955.db2.gz ZOKZOQUUBZQUKX-INIZCTEOSA-N 0 0 446.787 4.416 50 0 IIAARN COc1ccc(Br)cc1-c1nc(CSc2ncnc3[nH]cnc32)c(C)o1 ZINC000033328710 557112322 /nfs/dbraw/zinc/11/23/22/557112322.db2.gz JEIBUIQCPXUZHI-UHFFFAOYSA-N 0 0 432.303 4.380 50 0 IIAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000049549323 557112706 /nfs/dbraw/zinc/11/27/06/557112706.db2.gz MQVATQKIADJGRE-HNNXBMFYSA-N 0 0 446.887 4.076 50 0 IIAARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OC(F)F ZINC000049549943 557112940 /nfs/dbraw/zinc/11/29/40/557112940.db2.gz YCECXCNDMPTUIF-AWEZNQCLSA-N 0 0 432.448 4.257 50 0 IIAARN COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc1OC ZINC000049549734 557112950 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O=C(Nc1cccc(NC(=O)c2ccccc2I)c1)c1ccco1 ZINC000001186783 557120040 /nfs/dbraw/zinc/12/00/40/557120040.db2.gz LFUPIZBCCSRLGL-UHFFFAOYSA-N 0 0 432.217 4.389 50 0 IIAARN C[C@H]1c2ccsc2CCN1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023854529 557120599 /nfs/dbraw/zinc/12/05/99/557120599.db2.gz KCHSEYSTQPYDFH-IBGZPJMESA-N 0 0 445.588 4.401 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(=O)n3c(C)csc3n1)CC2 ZINC000023873219 557121870 /nfs/dbraw/zinc/12/18/70/557121870.db2.gz KTIDPYYCEACUMG-DEOSSOPVSA-N 0 0 447.560 4.229 50 0 IIAARN O=C(NCc1ccccc1CN1CCOCC1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000023881317 557122740 /nfs/dbraw/zinc/12/27/40/557122740.db2.gz PLROCWCXTVYFOY-UHFFFAOYSA-N 0 0 434.511 4.167 50 0 IIAARN COc1cccc(-c2nc(-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cs2)c1 ZINC000098086540 557123286 /nfs/dbraw/zinc/12/32/86/557123286.db2.gz KUYZKUQROJMIAV-HOTGVXAUSA-N 0 0 444.578 4.284 50 0 IIAARN COc1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)ccc1OCc1ccccc1 ZINC000023907938 557124475 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Cc1ccc(C)c2sc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)nc21 ZINC000024553828 557151121 /nfs/dbraw/zinc/15/11/21/557151121.db2.gz XFBZUBMXXDCKFR-UHFFFAOYSA-N 0 0 429.567 4.340 50 0 IIAARN Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)C(C)C)cc1 ZINC000011483470 557152779 /nfs/dbraw/zinc/15/27/79/557152779.db2.gz SNVQNGDZAGEFQM-FQEVSTJZSA-N 0 0 436.474 4.145 50 0 IIAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000024605859 557152885 /nfs/dbraw/zinc/15/28/85/557152885.db2.gz AIACJLRPUVTZTN-UHFFFAOYSA-N 0 0 436.867 4.452 50 0 IIAARN O=C1C[C@@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000095482838 557157512 /nfs/dbraw/zinc/15/75/12/557157512.db2.gz ZHZDXNACZYQZSL-GOSISDBHSA-N 0 0 438.742 4.101 50 0 IIAARN COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957558 557158737 /nfs/dbraw/zinc/15/87/37/557158737.db2.gz ANGZXRXOAHCFFY-OXJNMPFZSA-N 0 0 431.439 4.466 50 0 IIAARN O=C(CCc1ccccc1Br)NC[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000206772465 557162124 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CC(C)c1ccc(-c2csc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000024928521 557180857 /nfs/dbraw/zinc/18/08/57/557180857.db2.gz GLMXGPZPEBLTCW-UHFFFAOYSA-N 0 0 434.521 4.325 50 0 IIAARN O=C(CSc1nnc(CCNC(=O)c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000009095837 557181797 /nfs/dbraw/zinc/18/17/97/557181797.db2.gz OIMXFLSNSYFRFJ-UHFFFAOYSA-N 0 0 442.544 4.215 50 0 IIAARN CCOc1cc2c(cc1NC(=O)CCN1C(=S)N=NC1c1cccs1)O[C@H](C)C2 ZINC000024981160 557185531 /nfs/dbraw/zinc/18/55/31/557185531.db2.gz XQCWJKYMSZXHBH-GFCCVEGCSA-N 0 0 430.555 4.046 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C ZINC000009306128 557186403 /nfs/dbraw/zinc/18/64/03/557186403.db2.gz YCQVGFLOVSSBGM-CYBMUJFWSA-N 0 0 431.359 4.361 50 0 IIAARN COc1ccccc1-n1nnnc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000024990434 557187308 /nfs/dbraw/zinc/18/73/08/557187308.db2.gz ZTRDAPXHEWSVNM-UHFFFAOYSA-N 0 0 434.403 4.032 50 0 IIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1 ZINC000100821336 557187805 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430.505 4.012 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000025128809 557196206 /nfs/dbraw/zinc/19/62/06/557196206.db2.gz ZKRXNSGXBGJCRS-QWHCGFSZSA-N 0 0 449.736 4.328 50 0 IIAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025146254 557196865 /nfs/dbraw/zinc/19/68/65/557196865.db2.gz LXZOOERVIODCFM-GMAHTHKFSA-N 0 0 428.517 4.272 50 0 IIAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151803 557197169 /nfs/dbraw/zinc/19/71/69/557197169.db2.gz OFTKJKKMVBUSGD-CQSZACIVSA-N 0 0 425.510 4.225 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 ZINC000025164577 557197957 /nfs/dbraw/zinc/19/79/57/557197957.db2.gz DAHYRKGTQDDGMN-UHFFFAOYSA-N 0 0 449.532 4.113 50 0 IIAARN COC(=O)Cn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1cc(Cl)sc1Cl ZINC000100877797 557197962 /nfs/dbraw/zinc/19/79/62/557197962.db2.gz CQOVPIHWXRXMTO-HKWRFOASSA-N 0 0 437.276 4.263 50 0 IIAARN O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100903777 557199583 /nfs/dbraw/zinc/19/95/83/557199583.db2.gz MFSMPUMKCVWGSF-HIFRSBDPSA-N 0 0 440.080 4.048 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)COc1cccc(Oc3ccccn3)c1)O[C@@H](C)C2 ZINC000025262080 557201747 /nfs/dbraw/zinc/20/17/47/557201747.db2.gz XPZIZVBNTZLKIS-KRWDZBQOSA-N 0 0 434.492 4.291 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 ZINC000025265711 557201828 /nfs/dbraw/zinc/20/18/28/557201828.db2.gz CYTCDGPNJPNBNX-LJQANCHMSA-N 0 0 437.584 4.218 50 0 IIAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000025276729 557202469 /nfs/dbraw/zinc/20/24/69/557202469.db2.gz VTTDIBACAXMUQG-UHFFFAOYSA-N 0 0 425.876 4.280 50 0 IIAARN CC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)oc1C ZINC000025320910 557203851 /nfs/dbraw/zinc/20/38/51/557203851.db2.gz PMJNILOEHQXOOQ-HZPDHXFCSA-N 0 0 446.569 4.314 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)cc2)[C@@H]1C ZINC000169703991 557210562 /nfs/dbraw/zinc/21/05/62/557210562.db2.gz ZMBJDGPJNZNSSU-CPMLIZHXSA-N 0 0 427.932 4.478 50 0 IIAARN COc1cc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OC(F)F ZINC000025461942 557211445 /nfs/dbraw/zinc/21/14/45/557211445.db2.gz QOKBPTFRVCCZHQ-GFCCVEGCSA-N 0 0 449.523 4.351 50 0 IIAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)ccc1Br ZINC000097124612 557212305 /nfs/dbraw/zinc/21/23/05/557212305.db2.gz TWNYIYCQMBWDFS-IBGZPJMESA-N 0 0 428.330 4.412 50 0 IIAARN CC(C)c1ccc(-n2nnnc2SCC(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000011619872 557212775 /nfs/dbraw/zinc/21/27/75/557212775.db2.gz PSDNYFCHWHHYFE-UHFFFAOYSA-N 0 0 433.940 4.329 50 0 IIAARN O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000101040495 557215101 /nfs/dbraw/zinc/21/51/01/557215101.db2.gz PHEBGPCTWJFKSU-HIFRSBDPSA-N 0 0 440.080 4.048 50 0 IIAARN O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011622275 557215085 /nfs/dbraw/zinc/21/50/85/557215085.db2.gz YNBMYTBCNATJTB-UHFFFAOYSA-N 0 0 442.368 4.219 50 0 IIAARN COc1cccc([C@H]2CCCN2C(=O)CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000025581438 557216302 /nfs/dbraw/zinc/21/63/02/557216302.db2.gz JKITVKBCWDBOLL-LJQANCHMSA-N 0 0 428.945 4.385 50 0 IIAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025583623 557217370 /nfs/dbraw/zinc/21/73/70/557217370.db2.gz GPDGTDNZWKLQIW-QFQXNSOFSA-N 0 0 444.487 4.465 50 0 IIAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000025591696 557218003 /nfs/dbraw/zinc/21/80/03/557218003.db2.gz JHGCYXROIWRWIQ-HOTGVXAUSA-N 0 0 426.460 4.338 50 0 IIAARN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000025611636 557219372 /nfs/dbraw/zinc/21/93/72/557219372.db2.gz KPRUBUSYDFLABO-UHFFFAOYSA-N 0 0 426.516 4.133 50 0 IIAARN COc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC ZINC000011648676 557219450 /nfs/dbraw/zinc/21/94/50/557219450.db2.gz WLCVTOITJUSKSZ-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN CCOc1ccc(C(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000025637668 557220108 /nfs/dbraw/zinc/22/01/08/557220108.db2.gz KOCAOYQVJMGPEF-MHZLTWQESA-N 0 0 442.515 4.380 50 0 IIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000025735287 557223842 /nfs/dbraw/zinc/22/38/42/557223842.db2.gz DPKVULXCQNDFKY-UHFFFAOYSA-N 0 0 433.430 4.457 50 0 IIAARN COc1ccc2c(c1)CCc1cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)sc1-2 ZINC000025733761 557223853 /nfs/dbraw/zinc/22/38/53/557223853.db2.gz UDZRADASTHJMSQ-UHFFFAOYSA-N 0 0 427.547 4.487 50 0 IIAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000025759128 557224581 /nfs/dbraw/zinc/22/45/81/557224581.db2.gz BLQDNZLBQSKLKR-UHFFFAOYSA-N 0 0 440.503 4.170 50 0 IIAARN CC(=O)c1ccc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)s1 ZINC000024920722 557224778 /nfs/dbraw/zinc/22/47/78/557224778.db2.gz RXPUBDZDEVJVGX-UHFFFAOYSA-N 0 0 429.542 4.171 50 0 IIAARN Cc1cccc(COc2cccc(C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)c2)c1 ZINC000025780735 557225776 /nfs/dbraw/zinc/22/57/76/557225776.db2.gz OSGHPFDPDNTPRU-UHFFFAOYSA-N 0 0 443.459 4.420 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000025783939 557226489 /nfs/dbraw/zinc/22/64/89/557226489.db2.gz KKZSZBBAUXEDID-FCHUYYIVSA-N 0 0 442.500 4.339 50 0 IIAARN COc1cc(-c2nnc(COC(=O)c3c(Cl)cccc3Cl)o2)cc(OC)c1OC ZINC000011030123 557226723 /nfs/dbraw/zinc/22/67/23/557226723.db2.gz JOTPFJVPOQGXRP-UHFFFAOYSA-N 0 0 439.251 4.426 50 0 IIAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025814485 557227408 /nfs/dbraw/zinc/22/74/08/557227408.db2.gz URDHGIYELRNOGM-IBGZPJMESA-N 0 0 446.528 4.324 50 0 IIAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4cccs4)nn3c2C)cc1 ZINC000002461257 557228174 /nfs/dbraw/zinc/22/81/74/557228174.db2.gz BTKXZSBSPGXCJR-UHFFFAOYSA-N 0 0 437.594 4.110 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ncccc3nc2-c2ccccc2)cc1 ZINC000032949682 557228484 /nfs/dbraw/zinc/22/84/84/557228484.db2.gz GDBHUUZGDCLXDJ-UHFFFAOYSA-N 0 0 434.565 4.275 50 0 IIAARN C[C@@H]1CCc2nc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)sc2C1 ZINC000011448245 557229041 /nfs/dbraw/zinc/22/90/41/557229041.db2.gz VUOKGHRNTGRXBT-LLVKDONJSA-N 0 0 442.591 4.407 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000025878457 557229101 /nfs/dbraw/zinc/22/91/01/557229101.db2.gz CVSGNZHZEIZGRK-WMZOPIPTSA-N 0 0 428.916 4.074 50 0 IIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000072303633 557229660 /nfs/dbraw/zinc/22/96/60/557229660.db2.gz ZILKETFBKDCRKL-VQTJNVASSA-N 0 0 425.916 4.437 50 0 IIAARN COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)c1 ZINC000072303782 557229753 /nfs/dbraw/zinc/22/97/53/557229753.db2.gz BFIQFSWWJOYMKJ-QGZVFWFLSA-N 0 0 437.277 4.286 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC ZINC000025957482 557230902 /nfs/dbraw/zinc/23/09/02/557230902.db2.gz CYKIQSFHSXVHPF-PXNSSMCTSA-N 0 0 440.565 4.142 50 0 IIAARN COc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1OC ZINC000032949937 557231379 /nfs/dbraw/zinc/23/13/79/557231379.db2.gz YUSHBKLKSJXFAN-UHFFFAOYSA-N 0 0 449.433 4.336 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000807892 557231471 /nfs/dbraw/zinc/23/14/71/557231471.db2.gz IOADOFPATAYILS-QFIPXVFZSA-N 0 0 449.511 4.010 50 0 IIAARN COc1cc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc(OC)c1 ZINC000032949978 557232148 /nfs/dbraw/zinc/23/21/48/557232148.db2.gz CGXRPFAQDQHKLX-UHFFFAOYSA-N 0 0 449.433 4.336 50 0 IIAARN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000018047730 557233576 /nfs/dbraw/zinc/23/35/76/557233576.db2.gz RTRXRAXGEKNNLR-QGZVFWFLSA-N 0 0 436.943 4.255 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]34)C2O)c(C)c1 ZINC000018086158 557236049 /nfs/dbraw/zinc/23/60/49/557236049.db2.gz HRPIQHHGZGFEOE-LIONHTAISA-N 0 0 449.510 4.065 50 0 IIAARN COc1cc(Cl)ccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098212865 557236065 /nfs/dbraw/zinc/23/60/65/557236065.db2.gz LMGKPBNSBKTOJL-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)cc1 ZINC000032950504 557236094 /nfs/dbraw/zinc/23/60/94/557236094.db2.gz AYPVVOXPUDMGIS-UHFFFAOYSA-N 0 0 432.549 4.433 50 0 IIAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000026418856 557241074 /nfs/dbraw/zinc/24/10/74/557241074.db2.gz RHKSJILCAXQRSQ-OUDVYAJJSA-N 0 0 438.568 4.073 50 0 IIAARN C[C@@H](C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000018153466 557243895 /nfs/dbraw/zinc/24/38/95/557243895.db2.gz GQSKMJSXUPIXRR-WBAXXEDZSA-N 0 0 447.516 4.367 50 0 IIAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(OC)c(OC)cc2F)cc1 ZINC000026542985 557244063 /nfs/dbraw/zinc/24/40/63/557244063.db2.gz OMKQIQHHPDQUTA-UHFFFAOYSA-N 0 0 437.514 4.309 50 0 IIAARN Cc1cc(C)cc(C(=O)NCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000018157613 557244619 /nfs/dbraw/zinc/24/46/19/557244619.db2.gz PKXUDHSQSKQJCO-UHFFFAOYSA-N 0 0 438.531 4.202 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000026782594 557248907 /nfs/dbraw/zinc/24/89/07/557248907.db2.gz HALLQPRUSUVFGQ-CQSZACIVSA-N 0 0 427.494 4.206 50 0 IIAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cncn1-c1ccc(F)cc1 ZINC000026790848 557249190 /nfs/dbraw/zinc/24/91/90/557249190.db2.gz FOTLBEIZBZWCFA-UHFFFAOYSA-N 0 0 440.276 4.271 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)/C=C/c1ccccc1)Nc1ccc(F)cc1 ZINC000027019491 557254592 /nfs/dbraw/zinc/25/45/92/557254592.db2.gz CBRTXXLOLZLZIG-RCJYHZQCSA-N 0 0 429.451 4.222 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000027020487 557254917 /nfs/dbraw/zinc/25/49/17/557254917.db2.gz RIJCAZQCDWSUTM-HSZRJFAPSA-N 0 0 443.503 4.308 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)O[C@H](C)C2 ZINC000027136174 557257588 /nfs/dbraw/zinc/25/75/88/557257588.db2.gz SBSKDWIHXACOGX-CJAUYULYSA-N 0 0 444.531 4.196 50 0 IIAARN CN(CC(=O)NCc1ccco1)C(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000027387017 557261601 /nfs/dbraw/zinc/26/16/01/557261601.db2.gz WXHBVENUPLIGDB-UHFFFAOYSA-N 0 0 431.414 4.430 50 0 IIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1Br ZINC000012843279 557262338 /nfs/dbraw/zinc/26/23/38/557262338.db2.gz KJGMYQHCRAHEBD-UHFFFAOYSA-N 0 0 447.310 4.081 50 0 IIAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCc1ccc(F)cc1 ZINC000027546831 557264729 /nfs/dbraw/zinc/26/47/29/557264729.db2.gz QREPFPLIQWLPNP-RUZDIDTESA-N 0 0 427.479 4.477 50 0 IIAARN C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000027635509 557267872 /nfs/dbraw/zinc/26/78/72/557267872.db2.gz HNMDYAXKEWZOAX-SFHVURJKSA-N 0 0 432.959 4.411 50 0 IIAARN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000027635503 557267966 /nfs/dbraw/zinc/26/79/66/557267966.db2.gz HNMDYAXKEWZOAX-GOSISDBHSA-N 0 0 432.959 4.411 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1 ZINC000027663693 557269775 /nfs/dbraw/zinc/26/97/75/557269775.db2.gz BWSYLARTZLAPRZ-UHFFFAOYSA-N 0 0 443.506 4.006 50 0 IIAARN Cc1cccc(OCC(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)c1C ZINC000027663953 557269914 /nfs/dbraw/zinc/26/99/14/557269914.db2.gz SIOMYIWJTGRHKI-QFIPXVFZSA-N 0 0 437.561 4.051 50 0 IIAARN O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027743473 557272186 /nfs/dbraw/zinc/27/21/86/557272186.db2.gz FQXJCSHHSAFWTG-MRXNPFEDSA-N 0 0 432.756 4.476 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)cc2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736416 557272839 /nfs/dbraw/zinc/27/28/39/557272839.db2.gz ZNMZCTBQRLPDHG-JJRVBVJISA-N 0 0 433.213 4.097 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(SCc1cccnc1)n(CCc1ccccc1)c2=O ZINC000027773983 557273810 /nfs/dbraw/zinc/27/38/10/557273810.db2.gz SQMHGGQFMKHZFS-UHFFFAOYSA-N 0 0 431.517 4.113 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1 ZINC000101354164 557275405 /nfs/dbraw/zinc/27/54/05/557275405.db2.gz LDODVCDOPFQEHX-UHFFFAOYSA-N 0 0 426.476 4.141 50 0 IIAARN COc1ccc(N2C(=O)C[C@H](Sc3nc4c(c(-c5ccccc5)n3)CCCC4)C2=O)cc1 ZINC000101091070 557282776 /nfs/dbraw/zinc/28/27/76/557282776.db2.gz SVNXTYQTXYQNSG-NRFANRHFSA-N 0 0 445.544 4.455 50 0 IIAARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC4CC4)N32)c(C)c1 ZINC000101397419 557283365 /nfs/dbraw/zinc/28/33/65/557283365.db2.gz HTBKNCLLOHPRGO-QFIPXVFZSA-N 0 0 439.581 4.499 50 0 IIAARN CCc1ccccc1N1C(=O)C[C@H](SCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000101133500 557283577 /nfs/dbraw/zinc/28/35/77/557283577.db2.gz OREPIEQYVQFLCK-KRWDZBQOSA-N 0 0 447.354 4.015 50 0 IIAARN COc1ccc(N2C(=O)C[C@@H](N(CCc3cccs3)C(=O)Nc3ccccc3)C2=O)cc1 ZINC000101155738 557283819 /nfs/dbraw/zinc/28/38/19/557283819.db2.gz BTPGMIPDVXQJJH-OAQYLSRUSA-N 0 0 449.532 4.165 50 0 IIAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1ccc(F)cc1F ZINC000011665546 557284124 /nfs/dbraw/zinc/28/41/24/557284124.db2.gz HPPIIIOOLXUXCF-UHFFFAOYSA-N 0 0 428.402 4.384 50 0 IIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]2C1 ZINC000101184644 557284383 /nfs/dbraw/zinc/28/43/83/557284383.db2.gz ODQQHBQTBMLXBM-UAOJZALGSA-N 0 0 439.895 4.305 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000101713598 557294630 /nfs/dbraw/zinc/29/46/30/557294630.db2.gz ZFIHGLUOHNUYEX-JOCHJYFZSA-N 0 0 443.503 4.308 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Br)cc1)C(C)C ZINC000101922672 557296747 /nfs/dbraw/zinc/29/67/47/557296747.db2.gz JKYWIBVRPSOIRT-ARFHVFGLSA-N 0 0 425.319 4.035 50 0 IIAARN COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2C)ccc1OC(C)=O ZINC000033388537 557297408 /nfs/dbraw/zinc/29/74/08/557297408.db2.gz GNVHJLROIPKZAN-PXLXIMEGSA-N 0 0 444.487 4.339 50 0 IIAARN CNC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(Br)cc3)cc2)c1 ZINC000014094378 557302317 /nfs/dbraw/zinc/30/23/17/557302317.db2.gz ODRCTXHEXZOYEQ-UHFFFAOYSA-N 0 0 439.309 4.493 50 0 IIAARN COc1ccc([C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)N2CCOCC2)cc1 ZINC000084456278 557302981 /nfs/dbraw/zinc/30/29/81/557302981.db2.gz XLGAVDIVXRZMHD-DHIUTWEWSA-N 0 0 430.976 4.278 50 0 IIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccccc3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101861315 557303939 /nfs/dbraw/zinc/30/39/39/557303939.db2.gz YRSXUPPZMPZWQV-UHFFFAOYSA-N 0 0 429.524 4.224 50 0 IIAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)C2)cc1 ZINC000101881318 557305303 /nfs/dbraw/zinc/30/53/03/557305303.db2.gz OEKOFMIFFXUEQD-FQEVSTJZSA-N 0 0 440.547 4.385 50 0 IIAARN O=C(N[C@H]1CCSc2ccccc21)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000014119012 557307597 /nfs/dbraw/zinc/30/75/97/557307597.db2.gz LCSYEBLORDRQAQ-VXKWHMMOSA-N 0 0 442.540 4.247 50 0 IIAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c2ccccc2S1 ZINC000014139158 557309276 /nfs/dbraw/zinc/30/92/76/557309276.db2.gz CZAAVERCJVSXPM-SSOJOUAXSA-N 0 0 449.576 4.078 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)[C@H]1C ZINC000102122177 557312918 /nfs/dbraw/zinc/31/29/18/557312918.db2.gz PFXXXLGHFMNKIX-KGVIQGDOSA-N 0 0 428.573 4.189 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)N3CCC(C)CC3)=CSC2=N1 ZINC000102247140 557315424 /nfs/dbraw/zinc/31/54/24/557315424.db2.gz FTQZUIKVVPNYDS-JOCHJYFZSA-N 0 0 439.581 4.473 50 0 IIAARN CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2COC)Nc2ccccc2N=C1C ZINC000102221221 557315580 /nfs/dbraw/zinc/31/55/80/557315580.db2.gz RTLMHQHLWIFDQN-UHFFFAOYSA-N 0 0 433.464 4.302 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102257094 557316655 /nfs/dbraw/zinc/31/66/55/557316655.db2.gz SPGFXQUHRCQILX-NRFANRHFSA-N 0 0 443.544 4.365 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1C ZINC000102288597 557317457 /nfs/dbraw/zinc/31/74/57/557317457.db2.gz IXFFKLOMLOGARK-BGYRXZFFSA-N 0 0 440.565 4.088 50 0 IIAARN C=Cc1ccc(CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2CCOC)cc1 ZINC000033076931 557323713 /nfs/dbraw/zinc/32/37/13/557323713.db2.gz ZPLJTIBJUFFZRB-UHFFFAOYSA-N 0 0 437.565 4.116 50 0 IIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CN1Cc2cc(C)ccc2O[C@@H](c2ccsc2)C1 ZINC000104293898 557324259 /nfs/dbraw/zinc/32/42/59/557324259.db2.gz IVACZMZUGLULSF-OPAMFIHVSA-N 0 0 438.597 4.220 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000014240804 557328833 /nfs/dbraw/zinc/32/88/33/557328833.db2.gz SITLSKFNBODDQZ-UHFFFAOYSA-N 0 0 426.538 4.459 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCCCN1C(=O)c2ccccc2C1=O ZINC000024697521 557332008 /nfs/dbraw/zinc/33/20/08/557332008.db2.gz BFEQZOVXPQLSCE-UHFFFAOYSA-N 0 0 442.830 4.286 50 0 IIAARN COc1cc(/C=C2/SC(=N)NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000033286622 557332090 /nfs/dbraw/zinc/33/20/90/557332090.db2.gz HHVFXGOIZWBDML-CXUHLZMHSA-N 0 0 433.327 4.484 50 0 IIAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014370392 557336668 /nfs/dbraw/zinc/33/66/68/557336668.db2.gz LPMGIGMZLSGXFZ-LJQANCHMSA-N 0 0 429.524 4.201 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCC(O)CC2)[C@@H]1c1cccs1 ZINC000257173511 557338133 /nfs/dbraw/zinc/33/81/33/557338133.db2.gz PHXRWQOTPJEZHT-HCKZNZMISA-N 0 0 426.582 4.105 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1 ZINC000014462727 557338324 /nfs/dbraw/zinc/33/83/24/557338324.db2.gz WWTUMNGBTNHCMY-UHFFFAOYSA-N 0 0 431.564 4.271 50 0 IIAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NCc3cccc(OC)c3)cc2)n1 ZINC000023331954 557343860 /nfs/dbraw/zinc/34/38/60/557343860.db2.gz DFNDLCQNXGELEG-UHFFFAOYSA-N 0 0 435.524 4.285 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 ZINC000023335867 557348296 /nfs/dbraw/zinc/34/82/96/557348296.db2.gz QFMXYKOYRXTBHY-UHFFFAOYSA-N 0 0 442.441 4.133 50 0 IIAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCSCc4ccco4)c3)n2)o1 ZINC000023452482 557361503 /nfs/dbraw/zinc/36/15/03/557361503.db2.gz FSZGDOIZWRVYBQ-UHFFFAOYSA-N 0 0 449.536 4.364 50 0 IIAARN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220699744 557364299 /nfs/dbraw/zinc/36/42/99/557364299.db2.gz FEYXZCVRKJLMGG-QGZVFWFLSA-N 0 0 431.471 4.156 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000023529999 557365516 /nfs/dbraw/zinc/36/55/16/557365516.db2.gz YRBIFFWLCUHBCR-UHFFFAOYSA-N 0 0 444.359 4.037 50 0 IIAARN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102725407 557369484 /nfs/dbraw/zinc/36/94/84/557369484.db2.gz HKVSAYZUUFBPRN-YPAWHYETSA-N 0 0 434.879 4.400 50 0 IIAARN CCCOc1ccc(CN(CCC)CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1OC ZINC000023707590 557371758 /nfs/dbraw/zinc/37/17/58/557371758.db2.gz GYVKNSFLEVQGJJ-QHCPKHFHSA-N 0 0 440.584 4.013 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000102749177 557379230 /nfs/dbraw/zinc/37/92/30/557379230.db2.gz ZXXBAAIJVVBJMR-RCXJIHSJSA-N 0 0 438.568 4.319 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000102738340 557379848 /nfs/dbraw/zinc/37/98/48/557379848.db2.gz WTPLCNNGJKQFFS-QGDZQMKYSA-N 0 0 438.568 4.319 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000102739998 557380461 /nfs/dbraw/zinc/38/04/61/557380461.db2.gz DGJULFFNUSNKAN-WXFUMESZSA-N 0 0 444.487 4.150 50 0 IIAARN CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OCC ZINC000004846133 557389331 /nfs/dbraw/zinc/38/93/31/557389331.db2.gz CRVWEWYYXBXQLP-LJQANCHMSA-N 0 0 429.513 4.121 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Oc2cc(Cl)c(Cl)cc2Cl)C1=O ZINC000024018674 557390847 /nfs/dbraw/zinc/39/08/47/557390847.db2.gz VRCHLXFZSAXGJX-IBGZPJMESA-N 0 0 441.698 4.410 50 0 IIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)n(C(C)C)n1 ZINC000011695172 557392974 /nfs/dbraw/zinc/39/29/74/557392974.db2.gz JDMNGDZSDAAHEA-UHFFFAOYSA-N 0 0 434.606 4.327 50 0 IIAARN COc1ccccc1CNC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 ZINC000011695006 557392982 /nfs/dbraw/zinc/39/29/82/557392982.db2.gz SREQNWCGTBKYOQ-UHFFFAOYSA-N 0 0 430.526 4.125 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 ZINC000011695192 557393103 /nfs/dbraw/zinc/39/31/03/557393103.db2.gz URSSKPUYRLOLBA-UHFFFAOYSA-N 0 0 426.542 4.240 50 0 IIAARN Cc1ccc(-n2ccnc2N2CCN(C(=O)c3ccccc3SC(F)F)CC2)cc1 ZINC000011695674 557393428 /nfs/dbraw/zinc/39/34/28/557393428.db2.gz LXGRPFRVABKKFZ-UHFFFAOYSA-N 0 0 428.508 4.458 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CSc1n[nH]c(C)n1 ZINC000011698246 557395003 /nfs/dbraw/zinc/39/50/03/557395003.db2.gz SRDOKSIFLWIZOR-UHFFFAOYSA-N 0 0 445.932 4.067 50 0 IIAARN CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)nn12 ZINC000013954793 557397396 /nfs/dbraw/zinc/39/73/96/557397396.db2.gz XPNSGFBOZDXZDU-UHFFFAOYSA-N 0 0 441.944 4.072 50 0 IIAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)c1cn(C)c2ccccc12 ZINC000013956173 557398045 /nfs/dbraw/zinc/39/80/45/557398045.db2.gz VGVNUCGLWTXDNI-UHFFFAOYSA-N 0 0 447.564 4.254 50 0 IIAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000013956462 557398584 /nfs/dbraw/zinc/39/85/84/557398584.db2.gz JNYQSOBNPUICGW-QGZVFWFLSA-N 0 0 443.617 4.026 50 0 IIAARN CCOC(=O)[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC(C)C ZINC000004925188 557408861 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COC(=O)CSc1cc(C(F)(F)F)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000263640045 568737413 /nfs/dbraw/zinc/73/74/13/568737413.db2.gz UUGPHUUNYMMTSZ-UHFFFAOYSA-N 0 0 431.745 4.495 50 0 IIAARN COc1ccc(N2C(=O)c3ccc(-c4nc5cc(Cl)ccc5c(=O)o4)cc3C2=O)cc1 ZINC000001211107 568737987 /nfs/dbraw/zinc/73/79/87/568737987.db2.gz CDJGCLOIWMIPRY-UHFFFAOYSA-N 0 0 432.819 4.318 50 0 IIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000063304811 568738570 /nfs/dbraw/zinc/73/85/70/568738570.db2.gz NQAPDAFECVWCSX-UHFFFAOYSA-N 0 0 448.500 4.463 50 0 IIAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000005973742 568739753 /nfs/dbraw/zinc/73/97/53/568739753.db2.gz LEQSEQBAHNOPSU-UHFFFAOYSA-N 0 0 426.557 4.464 50 0 IIAARN C[C@@H](Nc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012526485 568742407 /nfs/dbraw/zinc/74/24/07/568742407.db2.gz OANIQCJQNUEPEM-LJQANCHMSA-N 0 0 444.535 4.215 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc(OC)c1OC ZINC000043939705 568743697 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CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nn2)cc1 ZINC000044193480 568749866 /nfs/dbraw/zinc/74/98/66/568749866.db2.gz KPKCBLVEDNIRLF-UHFFFAOYSA-N 0 0 445.548 4.114 50 0 IIAARN C[C@H]1CSC(N(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)=N1 ZINC000003458555 568749869 /nfs/dbraw/zinc/74/98/69/568749869.db2.gz LUQIDCHVLHEUCO-AWEZNQCLSA-N 0 0 441.940 4.241 50 0 IIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1Cc1ccccc1 ZINC000003533659 568750539 /nfs/dbraw/zinc/75/05/39/568750539.db2.gz SQIUZKGXMXSGDO-UHFFFAOYSA-N 0 0 448.504 4.354 50 0 IIAARN COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1 ZINC000003582301 568751409 /nfs/dbraw/zinc/75/14/09/568751409.db2.gz LCBUFVCAGORCOJ-UHFFFAOYSA-N 0 0 438.443 4.302 50 0 IIAARN CCCCCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000003637555 568752247 /nfs/dbraw/zinc/75/22/47/568752247.db2.gz QZCBVMNXHFPKIZ-NRFANRHFSA-N 0 0 446.569 4.095 50 0 IIAARN O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 ZINC000015269857 568753898 /nfs/dbraw/zinc/75/38/98/568753898.db2.gz ZFZCFFILQWUTEL-UHFFFAOYSA-N 0 0 439.309 4.397 50 0 IIAARN O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cccs1 ZINC000299754854 568755208 /nfs/dbraw/zinc/75/52/08/568755208.db2.gz AATDETUCLYCEKU-RTWAWAEBSA-N 0 0 427.570 4.334 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)C1 ZINC000015317558 568755285 /nfs/dbraw/zinc/75/52/85/568755285.db2.gz ZSHVPXDUIAQYHW-GASCZTMLSA-N 0 0 438.496 4.207 50 0 IIAARN COc1cc2cc(CNCc3csc(C)n3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299757701 568755387 /nfs/dbraw/zinc/75/53/87/568755387.db2.gz MLJWSIOPJHVYKT-UHFFFAOYSA-N 0 0 449.576 4.430 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)[C@H]4CCCO4)c(C)o3)c2)s1 ZINC000299759942 568755725 /nfs/dbraw/zinc/75/57/25/568755725.db2.gz PPIZOLBKKQPHKA-GOSISDBHSA-N 0 0 425.510 4.067 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCSCC4)c3C3CC3)n2)c(C)s1 ZINC000299780005 568757023 /nfs/dbraw/zinc/75/70/23/568757023.db2.gz LTAIUSQWZZDTFV-UHFFFAOYSA-N 0 0 425.583 4.074 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585879 568759350 /nfs/dbraw/zinc/75/93/50/568759350.db2.gz NNKTZNPDYZFVCP-JOCHJYFZSA-N 0 0 429.476 4.151 50 0 biogenic IIAARN CCCCS[C@H]1CCCC[C@@H]1OC(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586683 568759433 /nfs/dbraw/zinc/75/94/33/568759433.db2.gz WXRHXRQJLTZHBC-MXNKGDRCSA-N 0 0 432.630 4.045 50 0 biogenic IIAARN COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000015390844 568761361 /nfs/dbraw/zinc/76/13/61/568761361.db2.gz QVACBASMGXFYRC-QGZVFWFLSA-N 0 0 436.961 4.229 50 0 IIAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000032031378 568762086 /nfs/dbraw/zinc/76/20/86/568762086.db2.gz DNTVMYBQDIACMN-UHFFFAOYSA-N 0 0 430.529 4.480 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000001235169 568762327 /nfs/dbraw/zinc/76/23/27/568762327.db2.gz VYUNVZGWFJXCMS-LAUBAEHRSA-N 0 0 436.265 4.391 50 0 IIAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC)c(F)c5)no4)cc3CO2)cc1 ZINC000263616735 568776857 /nfs/dbraw/zinc/77/68/57/568776857.db2.gz KGZYTFPCZMNASG-NRFANRHFSA-N 0 0 436.443 4.418 50 0 IIAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(Cl)cc3OC)n2)cc1OC ZINC000263618734 568777602 /nfs/dbraw/zinc/77/76/02/568777602.db2.gz VFNBRZIFEYICQZ-MRXNPFEDSA-N 0 0 443.887 4.393 50 0 IIAARN O=C1Nc2ccc(F)cc2[C@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032100568 568780509 /nfs/dbraw/zinc/78/05/09/568780509.db2.gz UBHZUNSGNMNRAL-IBGZPJMESA-N 0 0 432.333 4.140 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)C12CCCC2 ZINC000032103841 568781030 /nfs/dbraw/zinc/78/10/30/568781030.db2.gz JAFQTDGRBFQLTQ-NRFANRHFSA-N 0 0 442.943 4.486 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1Cl ZINC000001364007 568782320 /nfs/dbraw/zinc/78/23/20/568782320.db2.gz HTDMVZPCYPYWFF-MRXNPFEDSA-N 0 0 436.961 4.005 50 0 IIAARN CC(C)C[C@@H](C(=O)Nc1ccc(I)cc1)N1Cc2ccccc2C1=O ZINC000001383768 568784066 /nfs/dbraw/zinc/78/40/66/568784066.db2.gz ZSDRRDIBASFQBF-SFHVURJKSA-N 0 0 448.304 4.300 50 0 IIAARN COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000001392852 568785281 /nfs/dbraw/zinc/78/52/81/568785281.db2.gz FJPKYHJSVQQYLE-UHFFFAOYSA-N 0 0 426.313 4.251 50 0 IIAARN O=C(CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1 ZINC000001394008 568785470 /nfs/dbraw/zinc/78/54/70/568785470.db2.gz LESXTFHKFBUNFF-UHFFFAOYSA-N 0 0 437.851 4.419 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000001394036 568785517 /nfs/dbraw/zinc/78/55/17/568785517.db2.gz CYBNBAYNAXFJHQ-UHFFFAOYSA-N 0 0 441.258 4.417 50 0 IIAARN COc1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000083947408 568786232 /nfs/dbraw/zinc/78/62/32/568786232.db2.gz JNXGTUJGMKSWIU-QHCPKHFHSA-N 0 0 435.545 4.125 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001401341 568786267 /nfs/dbraw/zinc/78/62/67/568786267.db2.gz YVTSYSRRPZKUPN-INIZCTEOSA-N 0 0 432.851 4.151 50 0 IIAARN Cn1nc(C(F)(F)F)c(CNS(=O)(=O)c2ccccc2Cl)c1Oc1ccccc1 ZINC000001402141 568786674 /nfs/dbraw/zinc/78/66/74/568786674.db2.gz GGKGKDPIMWAFKZ-UHFFFAOYSA-N 0 0 445.850 4.363 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001403480 568786745 /nfs/dbraw/zinc/78/67/45/568786745.db2.gz SDBHTUTYWYSQBS-UHFFFAOYSA-N 0 0 435.954 4.326 50 0 IIAARN CC[C@@](C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001405725 568786870 /nfs/dbraw/zinc/78/68/70/568786870.db2.gz PVWKMLSGAITKHF-SANMLTNESA-N 0 0 445.519 4.189 50 0 IIAARN O=C(Nc1snnc1C(=O)OC1CCCCC1)Nc1ccc(Br)cc1 ZINC000001416979 568790824 /nfs/dbraw/zinc/79/08/24/568790824.db2.gz JHASMPVPAUPHCI-UHFFFAOYSA-N 0 0 425.308 4.434 50 0 IIAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000001420929 568793008 /nfs/dbraw/zinc/79/30/08/568793008.db2.gz YBLPXIRANUMILF-KRWDZBQOSA-N 0 0 444.560 4.341 50 0 IIAARN COc1ccc([C@@H]2OC(=O)N(Cc3cccc(OC)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422855 568793351 /nfs/dbraw/zinc/79/33/51/568793351.db2.gz ATSHULCUNFIMPK-UKILVPOCSA-N 0 0 435.476 4.251 50 0 IIAARN CCSc1nnc2n1-c1nnc(SCC)n1-c1sc3c(c1-2)C[C@H](C(C)C)OC3 ZINC000001428217 568794131 /nfs/dbraw/zinc/79/41/31/568794131.db2.gz FHQSRSRGUSBXII-LLVKDONJSA-N 0 0 434.616 4.211 50 0 IIAARN COc1cccc(C(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c1 ZINC000001428134 568794148 /nfs/dbraw/zinc/79/41/48/568794148.db2.gz KFIDHRPWIKUASR-UHFFFAOYSA-N 0 0 434.349 4.272 50 0 IIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000019204467 568795141 /nfs/dbraw/zinc/79/51/41/568795141.db2.gz NSQUESMOLVLQIB-UHFFFAOYSA-N 0 0 432.299 4.300 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000001432649 568795259 /nfs/dbraw/zinc/79/52/59/568795259.db2.gz DQSBBDZCFDWWIY-HSZRJFAPSA-N 0 0 436.508 4.147 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)c1 ZINC000084195134 568796097 /nfs/dbraw/zinc/79/60/97/568796097.db2.gz QRYRBQWGNMHRRV-JXFKEZNVSA-N 0 0 427.419 4.109 50 0 IIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084344327 568797242 /nfs/dbraw/zinc/79/72/42/568797242.db2.gz RYYUBUMIUFJKAI-LLVKDONJSA-N 0 0 425.361 4.438 50 0 IIAARN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(Br)c[nH]1 ZINC000084364396 568797399 /nfs/dbraw/zinc/79/73/99/568797399.db2.gz IKOWXAQDHDTWKI-UHFFFAOYSA-N 0 0 431.252 4.274 50 0 IIAARN O=C(CN1c2ccccc2OCCC1=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000084582112 568799048 /nfs/dbraw/zinc/79/90/48/568799048.db2.gz DITRUEASWPNFEN-QFIPXVFZSA-N 0 0 443.341 4.222 50 0 IIAARN CC(C)c1nnc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)s1 ZINC000084631289 568799279 /nfs/dbraw/zinc/79/92/79/568799279.db2.gz MVWYRJBKNOFHMB-UHFFFAOYSA-N 0 0 425.352 4.251 50 0 IIAARN C[C@@H](OC(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000084647224 568799543 /nfs/dbraw/zinc/79/95/43/568799543.db2.gz XNBZAFWVWIOUHJ-SNVBAGLBSA-N 0 0 446.692 4.478 50 0 IIAARN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000084734631 568800439 /nfs/dbraw/zinc/80/04/39/568800439.db2.gz NBWYRUCECUCPDK-LJQANCHMSA-N 0 0 441.915 4.476 50 0 IIAARN CC(C)CCNC(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21 ZINC000015680843 568806258 /nfs/dbraw/zinc/80/62/58/568806258.db2.gz XYHNRLVZHJEOOB-UHFFFAOYSA-N 0 0 432.973 4.431 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3c(N4CCCC4=O)c4cc(F)ccc4n3C)C[C@@H]2C)c1 ZINC000015681717 568806753 /nfs/dbraw/zinc/80/67/53/568806753.db2.gz YONISIVHBRNFBA-SFHVURJKSA-N 0 0 448.542 4.104 50 0 IIAARN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)cc1S(=O)(=O)N(C)C ZINC000025964458 568807265 /nfs/dbraw/zinc/80/72/65/568807265.db2.gz PTYGZSSWEJQQEG-UHFFFAOYSA-N 0 0 447.944 4.098 50 0 IIAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219135625 568807357 /nfs/dbraw/zinc/80/73/57/568807357.db2.gz ZIBJNKNLQLQQTP-FQEVSTJZSA-N 0 0 447.963 4.428 50 0 IIAARN CCOc1ccc(CNC(=O)c2nc(-c3cn(-c4ccccc4Cl)nc3C)no2)cc1 ZINC000015729731 568813669 /nfs/dbraw/zinc/81/36/69/568813669.db2.gz JJPLMKANOHDKFH-UHFFFAOYSA-N 0 0 437.887 4.213 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCC1)n(CC)c(=O)n2CC ZINC000015734364 568816329 /nfs/dbraw/zinc/81/63/29/568816329.db2.gz ULSOCKILJWRQAO-UHFFFAOYSA-N 0 0 437.544 4.486 50 0 IIAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)N3CCOCC3)cc2oc1C(F)(F)F ZINC000001447984 568817262 /nfs/dbraw/zinc/81/72/62/568817262.db2.gz FTOQCXHYUMQCQC-UHFFFAOYSA-N 0 0 449.381 4.318 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)c2)c1C ZINC000063634563 568821899 /nfs/dbraw/zinc/82/18/99/568821899.db2.gz NGNDXXGZLUPHRO-UHFFFAOYSA-N 0 0 443.544 4.260 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1)c1ccccc1 ZINC000015772360 568822793 /nfs/dbraw/zinc/82/27/93/568822793.db2.gz QITWRXKIDSMJJU-LJQANCHMSA-N 0 0 445.475 4.085 50 0 IIAARN COc1cccc(-c2nn([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c3noc(C)c32)c1 ZINC000085592999 568826020 /nfs/dbraw/zinc/82/60/20/568826020.db2.gz TZKWSUWWKGMXMT-INIZCTEOSA-N 0 0 446.507 4.493 50 0 IIAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(-c3ccc(C)cc3)c4=O)n2)cc1 ZINC000085601809 568827276 /nfs/dbraw/zinc/82/72/76/568827276.db2.gz AYSYFRLTCNFFSO-UHFFFAOYSA-N 0 0 440.459 4.103 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C)c4)no3)o2)cc1OC ZINC000085643828 568829126 /nfs/dbraw/zinc/82/91/26/568829126.db2.gz ODIVPGBCEMBBDY-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN O=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000583652801 568837763 /nfs/dbraw/zinc/83/77/63/568837763.db2.gz XOTNHHRQTKJSRU-JWQCQUIFSA-N 0 0 425.532 4.403 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085878497 568838732 /nfs/dbraw/zinc/83/87/32/568838732.db2.gz JBYWITBQUNXHMF-LJQANCHMSA-N 0 0 426.490 4.341 50 0 biogenic IIAARN COc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1OC ZINC000015827139 568840868 /nfs/dbraw/zinc/84/08/68/568840868.db2.gz WQZLOWNVIJAFMJ-UHFFFAOYSA-N 0 0 442.468 4.178 50 0 IIAARN COc1ccc(-c2nn3ccnc(N4CCN(c5cccc(C)c5C)CC4)c3c2C=O)cc1 ZINC000015829415 568841196 /nfs/dbraw/zinc/84/11/96/568841196.db2.gz XXVDWXQQADYBKA-UHFFFAOYSA-N 0 0 441.535 4.161 50 0 IIAARN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCCCc1ccccc1 ZINC000015829698 568841465 /nfs/dbraw/zinc/84/14/65/568841465.db2.gz KFTZOYNNZCJXGU-UHFFFAOYSA-N 0 0 437.594 4.059 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccccc2C)S1 ZINC000015832964 568842563 /nfs/dbraw/zinc/84/25/63/568842563.db2.gz QTSKJLZPDVDDIV-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NCc4cccs4)[nH]c(=O)c32)C1 ZINC000015861433 568848253 /nfs/dbraw/zinc/84/82/53/568848253.db2.gz JLXDBLSFAXTWHO-ZDUSSCGKSA-N 0 0 429.611 4.446 50 0 IIAARN CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000015882713 568857289 /nfs/dbraw/zinc/85/72/89/568857289.db2.gz KHXUPHOEZPKMSY-UHFFFAOYSA-N 0 0 433.481 4.208 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000015882810 568857398 /nfs/dbraw/zinc/85/73/98/568857398.db2.gz JYWMIVPLRILXGA-UHFFFAOYSA-N 0 0 444.409 4.344 50 0 IIAARN COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)c(OC)c1 ZINC000015883280 568857432 /nfs/dbraw/zinc/85/74/32/568857432.db2.gz IEJSWZFZSYQKTB-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cn1c(C)cc(-c2csc(C)n2)c1C ZINC000012940163 568868500 /nfs/dbraw/zinc/86/85/00/568868500.db2.gz XHYPLAUSJVJPFM-UHFFFAOYSA-N 0 0 446.523 4.302 50 0 IIAARN COc1cccc(-c2nc(COC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cs2)c1OC ZINC000012942779 568870052 /nfs/dbraw/zinc/87/00/52/568870052.db2.gz JZPOHWMRMGVBGQ-INIZCTEOSA-N 0 0 442.468 4.136 50 0 IIAARN Cc1csc(-n2c(C)cc(C(=O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2C)n1 ZINC000053517387 568876615 /nfs/dbraw/zinc/87/66/15/568876615.db2.gz XDDVCWHYOAVSTG-UHFFFAOYSA-N 0 0 449.580 4.022 50 0 IIAARN COc1cc([C@@H]2c3cccn3CCN2C(=S)NC2CCCCC2)cc(OC)c1OC ZINC000006229811 568880566 /nfs/dbraw/zinc/88/05/66/568880566.db2.gz NMPXJCQMBNAWKU-OAQYLSRUSA-N 0 0 429.586 4.126 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575618388 568882108 /nfs/dbraw/zinc/88/21/08/568882108.db2.gz VMPBWGCYBDHTQG-INIZCTEOSA-N 0 0 448.910 4.491 50 0 IIAARN COc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000006296509 568882347 /nfs/dbraw/zinc/88/23/47/568882347.db2.gz FCJUCIDEKJLMLS-UHFFFAOYSA-N 0 0 430.599 4.467 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCN1CCOCC1 ZINC000035485005 568885024 /nfs/dbraw/zinc/88/50/24/568885024.db2.gz SOVVOZGIBCKCDI-PNLXRRAESA-N 0 0 431.617 4.232 50 0 biogenic IIAARN CCCCN(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000006725157 568888497 /nfs/dbraw/zinc/88/84/97/568888497.db2.gz BKQOMLNHFFIYML-FGZHOGPDSA-N 0 0 428.504 4.012 50 0 IIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(F)c(C)c1 ZINC000035528234 568892836 /nfs/dbraw/zinc/89/28/36/568892836.db2.gz AOFOFPVGHROAKX-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cccc(F)c1 ZINC000006348628 568893279 /nfs/dbraw/zinc/89/32/79/568893279.db2.gz BFAURAVIFGKOCW-JOCHJYFZSA-N 0 0 439.512 4.389 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(Br)cc1 ZINC000012981210 568894789 /nfs/dbraw/zinc/89/47/89/568894789.db2.gz RGAIFPMCEPSKFQ-UHFFFAOYSA-N 0 0 428.330 4.006 50 0 IIAARN C[C@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc2N1S(C)(=O)=O ZINC000012986085 568895609 /nfs/dbraw/zinc/89/56/09/568895609.db2.gz DADUQBSZGQOFQQ-NSHDSACASA-N 0 0 449.504 4.051 50 0 IIAARN CN(CC(=O)NC(C)(C)C)C(=O)/C(=C/c1ccc(Br)cc1)c1cccs1 ZINC000040050876 568896235 /nfs/dbraw/zinc/89/62/35/568896235.db2.gz GQBXFJMZJKMDTJ-FOWTUZBSSA-N 0 0 435.387 4.424 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)/C=C/c4cccs4)CC3)cs2)cc1 ZINC000036396881 568896240 /nfs/dbraw/zinc/89/62/40/568896240.db2.gz URTCGLURMLAIFH-CMDGGOBGSA-N 0 0 425.579 4.238 50 0 IIAARN O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCN(c2nccs2)CC1 ZINC000013002995 568898584 /nfs/dbraw/zinc/89/85/84/568898584.db2.gz HSVGVYVAGOVZQG-UHFFFAOYSA-N 0 0 439.928 4.205 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)s1 ZINC000013005844 568899340 /nfs/dbraw/zinc/89/93/40/568899340.db2.gz KRBAPKGEDPRKTL-UHFFFAOYSA-N 0 0 443.388 4.246 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000013009165 568899692 /nfs/dbraw/zinc/89/96/92/568899692.db2.gz FQSLUFDQPPSWDU-BBRMVZONSA-N 0 0 429.369 4.012 50 0 IIAARN C[C@H](NC(=O)CCSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 ZINC000013010963 568900156 /nfs/dbraw/zinc/90/01/56/568900156.db2.gz HUMHWWWIVDMWMZ-AWEZNQCLSA-N 0 0 427.595 4.233 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnc12 ZINC000016444550 568902802 /nfs/dbraw/zinc/90/28/02/568902802.db2.gz KNSQMYSLTRZOLW-UHFFFAOYSA-N 0 0 426.448 4.135 50 0 IIAARN COCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000035709442 568907152 /nfs/dbraw/zinc/90/71/52/568907152.db2.gz UZBBMPBKFRSTQM-UHFFFAOYSA-N 0 0 430.936 4.351 50 0 IIAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)Nc3cccc(F)c3)c2)C(C(=O)OC)=C1C ZINC000035712345 568907577 /nfs/dbraw/zinc/90/75/77/568907577.db2.gz ZFMAMEFBKVPTKW-HXUWFJFHSA-N 0 0 440.475 4.393 50 0 IIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(F)cc1 ZINC000245235949 568913023 /nfs/dbraw/zinc/91/30/23/568913023.db2.gz PCCSBMLLHSWUIE-HOKHCIIBSA-N 0 0 441.499 4.173 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256797 568914027 /nfs/dbraw/zinc/91/40/27/568914027.db2.gz SZHVEPUVIXHIHU-QESAQDPVSA-N 0 0 434.561 4.315 50 0 IIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccccc1 ZINC000001907025 568919486 /nfs/dbraw/zinc/91/94/86/568919486.db2.gz AUDMHNLQICGFNF-UHFFFAOYSA-N 0 0 432.505 4.186 50 0 IIAARN CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000001945233 568923709 /nfs/dbraw/zinc/92/37/09/568923709.db2.gz UGHOWUHKZYJLAN-UHFFFAOYSA-N 0 0 449.532 4.343 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000089420112 568924366 /nfs/dbraw/zinc/92/43/66/568924366.db2.gz XTHMAVVGGZBGIR-KDOFPFPSSA-N 0 0 441.329 4.365 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000004062532 568926118 /nfs/dbraw/zinc/92/61/18/568926118.db2.gz ZWTWXJZUUOVCIG-ZWSUVBHBSA-N 0 0 425.525 4.221 50 0 IIAARN COc1ccc2nc(C3CC3)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 ZINC000089499649 568927761 /nfs/dbraw/zinc/92/77/61/568927761.db2.gz SCLKWZYJTIWNFK-UHFFFAOYSA-N 0 0 428.492 4.171 50 0 IIAARN CCCC(=O)N1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450836 568928898 /nfs/dbraw/zinc/92/88/98/568928898.db2.gz SUSLZICBEMSQDH-UHFFFAOYSA-N 0 0 444.580 4.256 50 0 IIAARN CCCC(=O)N1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450893 568928935 /nfs/dbraw/zinc/92/89/35/568928935.db2.gz OPMOMGQZTPVJAB-UHFFFAOYSA-N 0 0 440.617 4.425 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000064580468 568934433 /nfs/dbraw/zinc/93/44/33/568934433.db2.gz HTYUMMLSMSAQAT-UHFFFAOYSA-N 0 0 443.956 4.332 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000064580472 568934531 /nfs/dbraw/zinc/93/45/31/568934531.db2.gz QPHACUBHDPJRMS-UHFFFAOYSA-N 0 0 437.565 4.296 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000064605309 568939478 /nfs/dbraw/zinc/93/94/78/568939478.db2.gz HRTAMOCYLVFKCT-UHFFFAOYSA-N 0 0 438.915 4.105 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000064611406 568940165 /nfs/dbraw/zinc/94/01/65/568940165.db2.gz IJTNCCYMZUGJTH-XMMPIXPASA-N 0 0 439.987 4.445 50 0 IIAARN COc1cccc(N2CCN(C(=O)Cc3oc(-c4ccccc4)nc3CC(C)C)CC2)c1 ZINC000064612518 568941711 /nfs/dbraw/zinc/94/17/11/568941711.db2.gz JYCVEAAVCWMTGN-UHFFFAOYSA-N 0 0 433.552 4.440 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@@H](CC(C)C)NC12CCN(C(=S)Nc1cccc(C)c1)CC2 ZINC000036032785 568943786 /nfs/dbraw/zinc/94/37/86/568943786.db2.gz SVAQYOLEMLLBOS-GHTZIAJQSA-N 0 0 430.662 4.377 50 0 IIAARN CCCCn1c(SCC(=O)NC2CCCCC2)nc2c3cccnc3sc2c1=O ZINC000064699674 568944367 /nfs/dbraw/zinc/94/43/67/568944367.db2.gz XTOOXMDYUWVBPG-UHFFFAOYSA-N 0 0 430.599 4.347 50 0 IIAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064704108 568944465 /nfs/dbraw/zinc/94/44/65/568944465.db2.gz BALKBIKRGHTVIJ-UHFFFAOYSA-N 0 0 440.617 4.425 50 0 IIAARN CC(C)CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703874 568944499 /nfs/dbraw/zinc/94/44/99/568944499.db2.gz IMBCVLNSLPKEGM-UHFFFAOYSA-N 0 0 446.596 4.406 50 0 IIAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(C)c3)c2NC(C)(C)C)s1 ZINC000064703693 568944548 /nfs/dbraw/zinc/94/45/48/568944548.db2.gz LCANZNFDUWKDDG-UHFFFAOYSA-N 0 0 428.606 4.329 50 0 IIAARN CN(CC(=O)NCc1ccco1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704343 568944617 /nfs/dbraw/zinc/94/46/17/568944617.db2.gz IHUOCIORMJCZKM-UHFFFAOYSA-N 0 0 438.557 4.014 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)Nc1ccccc1F ZINC000064712349 568944947 /nfs/dbraw/zinc/94/49/47/568944947.db2.gz RYDHUUXXQQZHJC-UHFFFAOYSA-N 0 0 436.447 4.053 50 0 IIAARN COc1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000036073326 568945912 /nfs/dbraw/zinc/94/59/12/568945912.db2.gz NSFQVKFFCSHMSX-KRWDZBQOSA-N 0 0 435.524 4.347 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1coc(CN(Cc2ccccc2)Cc2ccccc2Cl)n1 ZINC000036072269 568946056 /nfs/dbraw/zinc/94/60/56/568946056.db2.gz NOSRSKCDFIMFNJ-FQEVSTJZSA-N 0 0 439.943 4.439 50 0 IIAARN Cc1cccc(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)Cc2ccc(F)cc2)c1 ZINC000036072517 568946355 /nfs/dbraw/zinc/94/63/55/568946355.db2.gz JGYYEBLYCRCEFM-JOCHJYFZSA-N 0 0 437.515 4.233 50 0 IIAARN CCOc1cnn(-c2cccc(Cl)c2)c(=O)c1Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000036082542 568946825 /nfs/dbraw/zinc/94/68/25/568946825.db2.gz JWCPQHUNDBDONI-UHFFFAOYSA-N 0 0 440.931 4.414 50 0 IIAARN O=C(NCc1cccnc1)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000036083165 568947015 /nfs/dbraw/zinc/94/70/15/568947015.db2.gz SQDPBSTXAWZFEQ-UHFFFAOYSA-N 0 0 431.323 4.471 50 0 IIAARN COc1ccc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1Cl ZINC000064746837 568949569 /nfs/dbraw/zinc/94/95/69/568949569.db2.gz XDGREWOAWFNIKG-UHFFFAOYSA-N 0 0 442.928 4.232 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747736 568950212 /nfs/dbraw/zinc/95/02/12/568950212.db2.gz JEJAOORBLROKND-MRXNPFEDSA-N 0 0 428.395 4.155 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CCn2nnc3cc(C(=O)NC4CCCCC4)ccc32)c(C)c1 ZINC000064748007 568950682 /nfs/dbraw/zinc/95/06/82/568950682.db2.gz BOHFNRIEGYOICS-IBGZPJMESA-N 0 0 447.583 4.378 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000064757372 568951659 /nfs/dbraw/zinc/95/16/59/568951659.db2.gz QIYGUYVLEZHPHV-FQEVSTJZSA-N 0 0 438.547 4.117 50 0 IIAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)NCc1ccc(F)cc1Cl ZINC000064759299 568951845 /nfs/dbraw/zinc/95/18/45/568951845.db2.gz IIYKZZYALPRGMG-UHFFFAOYSA-N 0 0 441.869 4.446 50 0 IIAARN CCN1c2ccc(CNC(=O)c3cc(OC)cc(OC)c3)cc2Sc2ncccc2C1=O ZINC000064759622 568951969 /nfs/dbraw/zinc/95/19/69/568951969.db2.gz WBMRYWRGDCBWMJ-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN CCN1c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2-c2ccccc2S1(=O)=O ZINC000064762072 568952740 /nfs/dbraw/zinc/95/27/40/568952740.db2.gz ONFGXIANCITBID-UHFFFAOYSA-N 0 0 438.505 4.152 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000036116441 568955594 /nfs/dbraw/zinc/95/55/94/568955594.db2.gz MTDFPIDIKYQMLS-LJQANCHMSA-N 0 0 447.988 4.100 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C2CC2)c(C)c1 ZINC000036118715 568955921 /nfs/dbraw/zinc/95/59/21/568955921.db2.gz RGKCDDPOVPVBEO-OAQYLSRUSA-N 0 0 438.593 4.271 50 0 IIAARN O=C(CN(C(=O)C1CCCC1)C1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119506 568956129 /nfs/dbraw/zinc/95/61/29/568956129.db2.gz UYDNXXPGTRCEEI-JOCHJYFZSA-N 0 0 438.593 4.434 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(F)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788177 568956650 /nfs/dbraw/zinc/95/66/50/568956650.db2.gz PCVFNFCAVDKVLD-QHCPKHFHSA-N 0 0 447.510 4.008 50 0 IIAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120366 568957460 /nfs/dbraw/zinc/95/74/60/568957460.db2.gz LUHSPNPPMVWFNA-LJQANCHMSA-N 0 0 430.545 4.039 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C1CC1 ZINC000036120459 568957494 /nfs/dbraw/zinc/95/74/94/568957494.db2.gz WKQBVNFPKCDFTE-IBGZPJMESA-N 0 0 430.545 4.039 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)[C@H](C)CC ZINC000036121433 568957660 /nfs/dbraw/zinc/95/76/60/568957660.db2.gz PULHDVJFTYQTRA-UZLBHIALSA-N 0 0 432.561 4.429 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C1CC1 ZINC000036120870 568957740 /nfs/dbraw/zinc/95/77/40/568957740.db2.gz QXOIHSJNOANLMT-KKSFZXQISA-N 0 0 444.572 4.429 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122693 568958354 /nfs/dbraw/zinc/95/83/54/568958354.db2.gz XSSHKMWUMMLJFG-HXUWFJFHSA-N 0 0 429.586 4.083 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)[C@@H](C)CC ZINC000036123160 568958485 /nfs/dbraw/zinc/95/84/85/568958485.db2.gz LRTCIJBNVWPWIC-OXJNMPFZSA-N 0 0 447.576 4.222 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)[C@@H](C)CC ZINC000036122972 568958519 /nfs/dbraw/zinc/95/85/19/568958519.db2.gz ZMKLQHQCHNYCKC-LPHOPBHVSA-N 0 0 447.576 4.222 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)C ZINC000036123118 568958533 /nfs/dbraw/zinc/95/85/33/568958533.db2.gz ACEXUCJKBLBMOS-FQEVSTJZSA-N 0 0 447.576 4.220 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)Nc1cccc(Cl)c1 ZINC000064792461 568959161 /nfs/dbraw/zinc/95/91/61/568959161.db2.gz GTHGJSWQYSOESB-JOCHJYFZSA-N 0 0 442.910 4.416 50 0 IIAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)Nc3ccccc3F)c3nnnn32)cc1 ZINC000064793085 568959567 /nfs/dbraw/zinc/95/95/67/568959567.db2.gz UCYKFKVUOFVWNS-HSZRJFAPSA-N 0 0 440.482 4.210 50 0 IIAARN COCCn1c(SCc2ccc(OC)cc2)nnc1-c1sc2ncccc2c1N ZINC000064794332 568959882 /nfs/dbraw/zinc/95/98/82/568959882.db2.gz OQKRFDVFQNDTQX-UHFFFAOYSA-N 0 0 427.555 4.084 50 0 IIAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000064798628 568960510 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434.565 4.085 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1cccc(F)c1 ZINC000064815720 568963534 /nfs/dbraw/zinc/96/35/34/568963534.db2.gz UDBAXFYWOBWEDO-HSZRJFAPSA-N 0 0 438.528 4.229 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccccc1F ZINC000064815719 568963572 /nfs/dbraw/zinc/96/35/72/568963572.db2.gz UVFZNRBBIALTLZ-QHCPKHFHSA-N 0 0 438.528 4.229 50 0 IIAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCN(c2ncccn2)CC1 ZINC000064816523 568964226 /nfs/dbraw/zinc/96/42/26/568964226.db2.gz NYSYJKOHNXOQAM-UHFFFAOYSA-N 0 0 437.956 4.162 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2c(=O)n1-c1ccccc1 ZINC000064819542 568966620 /nfs/dbraw/zinc/96/66/20/568966620.db2.gz AESLSBZIDITWOH-UHFFFAOYSA-N 0 0 444.510 4.301 50 0 IIAARN CSc1ccc([C@@H]2OC(c3cccc(I)c3)=NN2C(C)=O)cc1 ZINC000064819707 568966872 /nfs/dbraw/zinc/96/68/72/568966872.db2.gz SKJHFNOVACSXIU-KRWDZBQOSA-N 0 0 438.290 4.252 50 0 IIAARN O=C(c1ccco1)N1CCS[C@@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 ZINC000036166785 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IIAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cc(OC)cc(OC)c2)cc1 ZINC000036247369 568982323 /nfs/dbraw/zinc/98/23/23/568982323.db2.gz HVDVTEVXULSTDA-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COc1cc(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)cc(OC)c1OC ZINC000064919501 568985243 /nfs/dbraw/zinc/98/52/43/568985243.db2.gz YJIXJPPROYUOEB-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000064924706 568986285 /nfs/dbraw/zinc/98/62/85/568986285.db2.gz ZAZBIFFIAOSZQC-UHFFFAOYSA-N 0 0 432.572 4.458 50 0 IIAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000064928002 568986786 /nfs/dbraw/zinc/98/67/86/568986786.db2.gz ZGIYELXNZHYFRY-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(SC)c3)CC2)cc1 ZINC000064928049 568986983 /nfs/dbraw/zinc/98/69/83/568986983.db2.gz QTSBHQBADVTMGM-UHFFFAOYSA-N 0 0 427.570 4.368 50 0 IIAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)ccc2=O)cc1 ZINC000064927254 568987138 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50 0 IIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1F ZINC000064971754 569076813 /nfs/dbraw/zinc/07/68/13/569076813.db2.gz UCOTZQZWOORQAA-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000064972471 569076936 /nfs/dbraw/zinc/07/69/36/569076936.db2.gz RHESXHKMYSSKNO-XMMPIXPASA-N 0 0 448.588 4.044 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064972208 569076965 /nfs/dbraw/zinc/07/69/65/569076965.db2.gz LRCSZOMOZADWTF-DEOSSOPVSA-N 0 0 434.561 4.366 50 0 IIAARN O=C(Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1)c1cccc(F)c1 ZINC000064976692 569077179 /nfs/dbraw/zinc/07/71/79/569077179.db2.gz JNRSMZJVTLJPFP-UHFFFAOYSA-N 0 0 429.860 4.380 50 0 IIAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)COc3ccccc3C)cc2=O)s1 ZINC000064976848 569077271 /nfs/dbraw/zinc/07/72/71/569077271.db2.gz KVMZWQJVUARNSZ-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN COc1ccccc1C(=O)Nc1cc(C)ccc1OCc1cc(=O)n2cc(C)sc2n1 ZINC000064976857 569077272 /nfs/dbraw/zinc/07/72/72/569077272.db2.gz COUAXYACTQESGG-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](C)O)C[C@H]1CCCO1 ZINC000036342105 569079645 /nfs/dbraw/zinc/07/96/45/569079645.db2.gz YCSXVLAKFBACGQ-WZONZLPQSA-N 0 0 439.531 4.474 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCCC2)c1 ZINC000036344360 569080056 /nfs/dbraw/zinc/08/00/56/569080056.db2.gz JBZPABTVFYOWMO-XMMPIXPASA-N 0 0 435.568 4.484 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000036345520 569080621 /nfs/dbraw/zinc/08/06/21/569080621.db2.gz PVDXKFXJLMCSEA-RUZDIDTESA-N 0 0 442.563 4.084 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985351 569081870 /nfs/dbraw/zinc/08/18/70/569081870.db2.gz VOWQKDIQANMDGM-NRFANRHFSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(C)c3)Oc3cc(C)ccc32)cc1 ZINC000064985959 569082065 /nfs/dbraw/zinc/08/20/65/569082065.db2.gz FGIHXQBWRMEUFR-QHCPKHFHSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3)Oc3ccc(Cl)cc32)cc1 ZINC000064986111 569082089 /nfs/dbraw/zinc/08/20/89/569082089.db2.gz GYCALPVJBUDVIO-NRFANRHFSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000064985960 569082124 /nfs/dbraw/zinc/08/21/24/569082124.db2.gz NAZOSIOFIBGJNA-QHCPKHFHSA-N 0 0 436.533 4.207 50 0 IIAARN O=C1Nc2ccccc2Oc2cc(N3CCCC3)c(S(=O)(=O)N3CCCCCC3)cc21 ZINC000064986672 569082171 /nfs/dbraw/zinc/08/21/71/569082171.db2.gz QCLZYVLCAUQEPZ-UHFFFAOYSA-N 0 0 441.553 4.210 50 0 IIAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)o2)cc1 ZINC000064987797 569082831 /nfs/dbraw/zinc/08/28/31/569082831.db2.gz ZFPQWTRLXFAQHU-UHFFFAOYSA-N 0 0 427.526 4.141 50 0 IIAARN COc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000064989716 569083034 /nfs/dbraw/zinc/08/30/34/569083034.db2.gz KCSXPGQHZWAZGZ-UHFFFAOYSA-N 0 0 444.531 4.074 50 0 IIAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064989957 569083130 /nfs/dbraw/zinc/08/31/30/569083130.db2.gz NGKANIHGMGLXRV-UHFFFAOYSA-N 0 0 444.531 4.156 50 0 biogenic IIAARN COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064989837 569083165 /nfs/dbraw/zinc/08/31/65/569083165.db2.gz HXYDCUYBKOSDII-KRWDZBQOSA-N 0 0 430.504 4.225 50 0 IIAARN O=C(Nc1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988732 569083662 /nfs/dbraw/zinc/08/36/62/569083662.db2.gz RFRUIKIMTHVGTM-UHFFFAOYSA-N 0 0 430.911 4.413 50 0 IIAARN Clc1cccc(Cl)c1Cc1nnc2sc(-c3n[nH]cc3Br)nn12 ZINC000036353047 569083949 /nfs/dbraw/zinc/08/39/49/569083949.db2.gz VRIQXXNRSPYRLJ-UHFFFAOYSA-N 0 0 430.118 4.236 50 0 IIAARN Cc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1 ZINC000064999825 569086249 /nfs/dbraw/zinc/08/62/49/569086249.db2.gz OLCAZGGYLVRVLB-UHFFFAOYSA-N 0 0 440.590 4.438 50 0 IIAARN COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 ZINC000036360414 569086471 /nfs/dbraw/zinc/08/64/71/569086471.db2.gz HSAMZLPOHWVTOE-CQSZACIVSA-N 0 0 435.875 4.146 50 0 IIAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3cccc(Cl)c3)co1)CC2 ZINC000036360030 569086563 /nfs/dbraw/zinc/08/65/63/569086563.db2.gz ZHUIRYHXRXVCBH-UHFFFAOYSA-N 0 0 441.911 4.448 50 0 IIAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)s3)CC2)c1 ZINC000065004080 569086810 /nfs/dbraw/zinc/08/68/10/569086810.db2.gz KBXJZAFJRDKTLR-UHFFFAOYSA-N 0 0 443.594 4.408 50 0 IIAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NC[C@H]1CCCO1 ZINC000065005497 569087165 /nfs/dbraw/zinc/08/71/65/569087165.db2.gz VDJKKHDLPFNSCX-OAQYLSRUSA-N 0 0 447.535 4.032 50 0 IIAARN CCn1c(CN(C)C(=O)Nc2cc(Cl)ccc2C)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008258 569087334 /nfs/dbraw/zinc/08/73/34/569087334.db2.gz FXNAYPFDCOCFLF-UHFFFAOYSA-N 0 0 427.936 4.384 50 0 IIAARN CCn1c(CN(C)C(=O)Nc2ccc(C)cc2Cl)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008246 569087394 /nfs/dbraw/zinc/08/73/94/569087394.db2.gz AZRCGXIZRASGJO-UHFFFAOYSA-N 0 0 427.936 4.384 50 0 IIAARN COc1ccc(F)cc1-c1cc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)ncn1 ZINC000065008088 569087404 /nfs/dbraw/zinc/08/74/04/569087404.db2.gz OPPHQLJLVOBFDJ-UHFFFAOYSA-N 0 0 435.503 4.262 50 0 IIAARN Cc1ccc(-c2ccc(NCc3cccs3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009298 569087869 /nfs/dbraw/zinc/08/78/69/569087869.db2.gz ZWAPESKWRWOWFF-UHFFFAOYSA-N 0 0 428.583 4.300 50 0 IIAARN CCOc1ccc(CNC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1OCC ZINC000065025702 569090804 /nfs/dbraw/zinc/09/08/04/569090804.db2.gz SVEMDKQYIKSVFS-UHFFFAOYSA-N 0 0 446.551 4.471 50 0 IIAARN O=C(c1ccc2c(c1)nnn2Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065030573 569091426 /nfs/dbraw/zinc/09/14/26/569091426.db2.gz KTAIQDDAGQBVSA-UHFFFAOYSA-N 0 0 431.927 4.095 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)cc1C ZINC000065034691 569092256 /nfs/dbraw/zinc/09/22/56/569092256.db2.gz XKISBWDAJQFHJR-UHFFFAOYSA-N 0 0 445.972 4.001 50 0 IIAARN Cc1ccc(-c2cc(N3CCCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n[nH]2)cc1C ZINC000169753109 569093342 /nfs/dbraw/zinc/09/33/42/569093342.db2.gz FUDXJLLOMCMZQQ-UHFFFAOYSA-N 0 0 427.552 4.456 50 0 IIAARN Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1 ZINC000169759055 569094027 /nfs/dbraw/zinc/09/40/27/569094027.db2.gz JEYFYDCSLNUZDF-INIZCTEOSA-N 0 0 442.248 4.168 50 0 IIAARN Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000169758250 569094402 /nfs/dbraw/zinc/09/44/02/569094402.db2.gz ZJVXVKGXTYNYJJ-MRXNPFEDSA-N 0 0 447.348 4.304 50 0 IIAARN CC[C@@H](NC(=O)C1CC1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 ZINC000006874757 569094884 /nfs/dbraw/zinc/09/48/84/569094884.db2.gz SDDFNQAYVDFAAH-ZJSXRUAMSA-N 0 0 426.532 4.247 50 0 IIAARN CCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059804 569095651 /nfs/dbraw/zinc/09/56/51/569095651.db2.gz RKAVWMMVFQJJFG-UHFFFAOYSA-N 0 0 431.901 4.078 50 0 IIAARN COc1cc(OC)c(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1Cl ZINC000065059150 569095998 /nfs/dbraw/zinc/09/59/98/569095998.db2.gz HUJNOHGPEXHSQQ-QHCPKHFHSA-N 0 0 445.947 4.308 50 0 IIAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NCc1cccnc1 ZINC000065061190 569096364 /nfs/dbraw/zinc/09/63/64/569096364.db2.gz BGPKQLWFGOEUHT-UHFFFAOYSA-N 0 0 435.325 4.408 50 0 IIAARN Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1 ZINC000065063550 569097662 /nfs/dbraw/zinc/09/76/62/569097662.db2.gz DVLMGEWKFAANAO-UHFFFAOYSA-N 0 0 425.510 4.121 50 0 IIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCC3)no2)cc1C ZINC000065076030 569099166 /nfs/dbraw/zinc/09/91/66/569099166.db2.gz WCOPSVNXMNBCHN-UHFFFAOYSA-N 0 0 430.512 4.168 50 0 IIAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(C)c1 ZINC000065075188 569099545 /nfs/dbraw/zinc/09/95/45/569099545.db2.gz UCDAAAQWULUJAB-MHZLTWQESA-N 0 0 428.532 4.277 50 0 IIAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(F)c1 ZINC000065075191 569099561 /nfs/dbraw/zinc/09/95/61/569099561.db2.gz PNAYGTZUCDPMNI-SANMLTNESA-N 0 0 432.495 4.108 50 0 IIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCCC3)no2)s1 ZINC000065076120 569099968 /nfs/dbraw/zinc/09/99/68/569099968.db2.gz XGQWNJOKOIZDTE-UHFFFAOYSA-N 0 0 436.541 4.311 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077642 569100450 /nfs/dbraw/zinc/10/04/50/569100450.db2.gz AUUPTJGSNSJYNL-MRXNPFEDSA-N 0 0 446.594 4.095 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)sc12 ZINC000065081391 569101407 /nfs/dbraw/zinc/10/14/07/569101407.db2.gz XEQTXJVHKQVBCU-GOSISDBHSA-N 0 0 449.555 4.462 50 0 IIAARN Cc1nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc(C(F)(F)F)n1 ZINC000169772573 569101530 /nfs/dbraw/zinc/10/15/30/569101530.db2.gz PBVHUROTYGFUBK-UHFFFAOYSA-N 0 0 446.395 4.355 50 0 IIAARN CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(F)c(C)c2)c1-c1ccncc1 ZINC000065083404 569102300 /nfs/dbraw/zinc/10/23/00/569102300.db2.gz AKBQNMUHWMFFIR-UHFFFAOYSA-N 0 0 431.471 4.106 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NCCCc2ccccc2)CO3)cc1 ZINC000065082728 569102355 /nfs/dbraw/zinc/10/23/55/569102355.db2.gz VQGBELBKTGKEJP-JOCHJYFZSA-N 0 0 444.531 4.248 50 0 biogenic IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)CC2)c1 ZINC000065084982 569102738 /nfs/dbraw/zinc/10/27/38/569102738.db2.gz XHGBFGFMOAFLDV-UHFFFAOYSA-N 0 0 440.590 4.160 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777544 569102920 /nfs/dbraw/zinc/10/29/20/569102920.db2.gz WAAJABSUCIMUFT-UHFFFAOYSA-N 0 0 434.887 4.126 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)ccc1F ZINC000065096396 569103556 /nfs/dbraw/zinc/10/35/56/569103556.db2.gz DMWHDCXVICBZCR-UHFFFAOYSA-N 0 0 449.467 4.318 50 0 IIAARN O=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1ccc(Br)o1 ZINC000065096717 569103647 /nfs/dbraw/zinc/10/36/47/569103647.db2.gz TZXWDEGACNQDJR-FQEVSTJZSA-N 0 0 439.309 4.493 50 0 IIAARN O=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cc2ccccc2oc1=O ZINC000065096679 569103658 /nfs/dbraw/zinc/10/36/58/569103658.db2.gz YHFXUZWJKGKZBG-DEOSSOPVSA-N 0 0 438.483 4.244 50 0 IIAARN O=C(N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1ccc(Br)o1 ZINC000065096718 569103690 /nfs/dbraw/zinc/10/36/90/569103690.db2.gz TZXWDEGACNQDJR-HXUWFJFHSA-N 0 0 439.309 4.493 50 0 IIAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3C)n2)cc1 ZINC000065099910 569104796 /nfs/dbraw/zinc/10/47/96/569104796.db2.gz PSUWOFQVPUXRHH-UHFFFAOYSA-N 0 0 434.525 4.188 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099462 569105199 /nfs/dbraw/zinc/10/51/99/569105199.db2.gz RISCGHDYRGFPPO-UHFFFAOYSA-N 0 0 448.552 4.105 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099479 569105217 /nfs/dbraw/zinc/10/52/17/569105217.db2.gz WAUNZZCICUYXQT-UHFFFAOYSA-N 0 0 432.553 4.405 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099750 569105315 /nfs/dbraw/zinc/10/53/15/569105315.db2.gz KKCDZLXWRUIUTD-UHFFFAOYSA-N 0 0 442.451 4.024 50 0 IIAARN Cc1ccc(Oc2nccnc2SCC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000065111001 569106182 /nfs/dbraw/zinc/10/61/82/569106182.db2.gz UOMXAUOYGBKJSV-UHFFFAOYSA-N 0 0 434.565 4.327 50 0 IIAARN Cc1ccc(Oc2nccnc2SCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000065110996 569106192 /nfs/dbraw/zinc/10/61/92/569106192.db2.gz DNUVELNUEVNNFP-UHFFFAOYSA-N 0 0 434.565 4.327 50 0 IIAARN COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)CC2)cc1 ZINC000065111516 569106208 /nfs/dbraw/zinc/10/62/08/569106208.db2.gz BQTWJGKSFZWXJM-UHFFFAOYSA-N 0 0 448.523 4.042 50 0 IIAARN COc1ccc(CNC(=O)CSc2nccnc2Oc2ccc(C)cc2)c(OC)c1 ZINC000065111039 569106275 /nfs/dbraw/zinc/10/62/75/569106275.db2.gz UJDLATZTOXRFRO-UHFFFAOYSA-N 0 0 425.510 4.003 50 0 IIAARN COc1cc(CNC(=O)CSc2nccnc2Oc2ccccc2C)cc(OC)c1 ZINC000065111221 569106361 /nfs/dbraw/zinc/10/63/61/569106361.db2.gz IAKZWWLCKGLKKJ-UHFFFAOYSA-N 0 0 425.510 4.003 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1 ZINC000065111410 569106499 /nfs/dbraw/zinc/10/64/99/569106499.db2.gz VWKHOGHIJGNFSI-UHFFFAOYSA-N 0 0 436.487 4.173 50 0 IIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115292 569106770 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ZINC000016723579 569160213 /nfs/dbraw/zinc/16/02/13/569160213.db2.gz PRFYYJKMKMRWDV-UHFFFAOYSA-N 0 0 434.721 4.043 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccccc2Cl)c2ccc(F)cc2)cc1 ZINC000016839667 569163050 /nfs/dbraw/zinc/16/30/50/569163050.db2.gz CUHYCZSERCPFCD-IBGZPJMESA-N 0 0 449.931 4.423 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(CC)nc3c(sc4cccc(F)c43)c2=O)cc1 ZINC000016842283 569163457 /nfs/dbraw/zinc/16/34/57/569163457.db2.gz HIHRABNQZXLVIK-UHFFFAOYSA-N 0 0 425.485 4.350 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016844954 569163772 /nfs/dbraw/zinc/16/37/72/569163772.db2.gz QSTZNEOSLHWNOC-UHFFFAOYSA-N 0 0 437.546 4.401 50 0 IIAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(Cl)cc1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850684 569164820 /nfs/dbraw/zinc/16/48/20/569164820.db2.gz RBXMCRGMKWGOEI-OAHLLOKOSA-N 0 0 447.944 4.021 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000089893484 569166641 /nfs/dbraw/zinc/16/66/41/569166641.db2.gz 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Cc1cc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)ccc1Br ZINC000017011076 569170355 /nfs/dbraw/zinc/17/03/55/569170355.db2.gz FJQVNBWONTXKOY-UHFFFAOYSA-N 0 0 437.363 4.459 50 0 IIAARN O=C(Cc1cccs1)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CC1 ZINC000037356872 569173051 /nfs/dbraw/zinc/17/30/51/569173051.db2.gz JAYNDQUSWQYVOE-UHFFFAOYSA-N 0 0 432.908 4.014 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2 ZINC000017135954 569174491 /nfs/dbraw/zinc/17/44/91/569174491.db2.gz JNJPACRUWWLRNA-UHFFFAOYSA-N 0 0 437.590 4.173 50 0 IIAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(Br)cc1 ZINC000017155180 569174974 /nfs/dbraw/zinc/17/49/74/569174974.db2.gz HAOLWXFOLCBLMF-UHFFFAOYSA-N 0 0 445.317 4.332 50 0 IIAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000017169786 569175303 /nfs/dbraw/zinc/17/53/03/569175303.db2.gz ACGNVKOVRGEJEF-GOSISDBHSA-N 0 0 425.840 4.156 50 0 IIAARN c1coc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000017200443 569175886 /nfs/dbraw/zinc/17/58/86/569175886.db2.gz RMFSSXFSENBVBI-UHFFFAOYSA-N 0 0 426.436 4.493 50 0 IIAARN Cc1cc(C(=O)N2CCC(OC3CCOCC3)CC2)c2ccc(Br)cc2n1 ZINC000170635216 569176150 /nfs/dbraw/zinc/17/61/50/569176150.db2.gz SXHNEEYETZNDKF-UHFFFAOYSA-N 0 0 433.346 4.106 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000027100421 569177289 /nfs/dbraw/zinc/17/72/89/569177289.db2.gz VJKUXIJMKLHPDU-UHFFFAOYSA-N 0 0 445.357 4.275 50 0 IIAARN CC(C)[C@H](C(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1)N1Cc2ccccc2C1=O ZINC000575442992 569177355 /nfs/dbraw/zinc/17/73/55/569177355.db2.gz AXRKNURQMYHWKN-BJKOFHAPSA-N 0 0 438.531 4.449 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)sc2c1CCC2 ZINC000002550111 569177388 /nfs/dbraw/zinc/17/73/88/569177388.db2.gz YVFPFMSOZFURHE-CYBMUJFWSA-N 0 0 441.505 4.234 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC[C@@H]1CCCO1)nc2-c1ccccc1F ZINC000037360150 569181489 /nfs/dbraw/zinc/18/14/89/569181489.db2.gz UQSFRZPJXYDTPF-HNNXBMFYSA-N 0 0 438.894 4.448 50 0 IIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OCC)C1=O ZINC000002108429 569181701 /nfs/dbraw/zinc/18/17/01/569181701.db2.gz ZKKGOKHZPTYVOE-NVQXNPDNSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OCC)C1=O ZINC000002108777 569181706 /nfs/dbraw/zinc/18/17/06/569181706.db2.gz UZMOZZFPGBQDGR-OFVILXPXSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN COc1ccc(Br)cc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000002111106 569181957 /nfs/dbraw/zinc/18/19/57/569181957.db2.gz QLWGWIPAZYWBTI-RSNBEDGSSA-N 0 0 427.342 4.485 50 0 biogenic IIAARN COc1ccc(Br)cc1/C=C/[C@@]12NC(=O)CN1c1ccc(C)cc1C2(C)C ZINC000002129938 569184252 /nfs/dbraw/zinc/18/42/52/569184252.db2.gz FTESOXHWBXFCOL-DGSRBQDKSA-N 0 0 427.342 4.403 50 0 biogenic IIAARN O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)c1ccccc1 ZINC000001049594 569185316 /nfs/dbraw/zinc/18/53/16/569185316.db2.gz QXUZXLRDMKPMPY-UHFFFAOYSA-N 0 0 426.505 4.035 50 0 IIAARN CCOc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001232189 569185496 /nfs/dbraw/zinc/18/54/96/569185496.db2.gz AOIGZBVDVHSAQW-MRXNPFEDSA-N 0 0 446.787 4.498 50 0 IIAARN COc1cccc([C@H](O)CNC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000252511563 569188699 /nfs/dbraw/zinc/18/86/99/569188699.db2.gz HZAGFLZZQOKFIY-LVCYWYKZSA-N 0 0 427.932 4.349 50 0 IIAARN CCC[C@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)CC)CC2)n1 ZINC000037378693 569188904 /nfs/dbraw/zinc/18/89/04/569188904.db2.gz SKQMWIUMYSCTED-INIZCTEOSA-N 0 0 438.551 4.225 50 0 IIAARN CCCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208133535 569189193 /nfs/dbraw/zinc/18/91/93/569189193.db2.gz AXSNGHAVDXRFPZ-LVXARBLLSA-N 0 0 448.567 4.103 50 0 IIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(c3ccccc3NC2=O)[C@H]2C=C(C)c3ccccc3N21 ZINC000252517671 569189319 /nfs/dbraw/zinc/18/93/19/569189319.db2.gz OJNVTMSOKHBJLS-NXNJFABFSA-N 0 0 449.510 4.034 50 0 IIAARN C[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2S1 ZINC000017525755 569189630 /nfs/dbraw/zinc/18/96/30/569189630.db2.gz HXVWLFYLERRWON-IRXDYDNUSA-N 0 0 448.585 4.144 50 0 IIAARN COCCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000037384963 569192295 /nfs/dbraw/zinc/19/22/95/569192295.db2.gz UXGHRTPVQCTOEV-UHFFFAOYSA-N 0 0 438.484 4.412 50 0 IIAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000037399173 569194293 /nfs/dbraw/zinc/19/42/93/569194293.db2.gz PKHSISJGMYNYKA-UHFFFAOYSA-N 0 0 432.543 4.495 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)NC(C)C)cc2)cc1 ZINC000037400422 569194901 /nfs/dbraw/zinc/19/49/01/569194901.db2.gz URDGSERQYMESHC-UHFFFAOYSA-N 0 0 434.558 4.039 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)C2CCC2)cc1 ZINC000037401220 569195163 /nfs/dbraw/zinc/19/51/63/569195163.db2.gz CNQTVWJFNPTFDJ-UHFFFAOYSA-N 0 0 431.554 4.248 50 0 IIAARN COCCNC(=O)[C@H](C)N(c1nc(-c2ccc(OC)cc2)cs1)c1cccc(C)c1 ZINC000037438787 569196252 /nfs/dbraw/zinc/19/62/52/569196252.db2.gz BACZINXEYDULFB-KRWDZBQOSA-N 0 0 425.554 4.416 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccs1 ZINC000037443938 569197157 /nfs/dbraw/zinc/19/71/57/569197157.db2.gz RGVQKOIFRZJNKJ-YLNUKYHNSA-N 0 0 436.581 4.207 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000037443907 569197191 /nfs/dbraw/zinc/19/71/91/569197191.db2.gz LLAHSNKKWHENPS-ZOIIRCJOSA-N 0 0 444.579 4.188 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000037443345 569197204 /nfs/dbraw/zinc/19/72/04/569197204.db2.gz OVQGLPALXNGWRN-GSQWSPMESA-N 0 0 437.515 4.483 50 0 IIAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524616 569198838 /nfs/dbraw/zinc/19/88/38/569198838.db2.gz BLAFZPXKKYYBJG-MRXNPFEDSA-N 0 0 429.511 4.140 50 0 IIAARN CC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000037525116 569198958 /nfs/dbraw/zinc/19/89/58/569198958.db2.gz HPHHTDAYPKMVSW-UHFFFAOYSA-N 0 0 425.548 4.277 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000037525262 569198975 /nfs/dbraw/zinc/19/89/75/569198975.db2.gz KWIISFCGLBPLMV-UHFFFAOYSA-N 0 0 449.595 4.499 50 0 IIAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)N2CCOCC2)cc1 ZINC000037557310 569200720 /nfs/dbraw/zinc/20/07/20/569200720.db2.gz NEXBIXIUDGGFJC-DTQAZKPQSA-N 0 0 440.543 4.335 50 0 IIAARN COc1ccccc1Cn1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000037559304 569200747 /nfs/dbraw/zinc/20/07/47/569200747.db2.gz AJMGWACAIUVYTO-UHFFFAOYSA-N 0 0 446.551 4.185 50 0 IIAARN COc1cccc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000037559080 569200817 /nfs/dbraw/zinc/20/08/17/569200817.db2.gz FYCDEEUVVOHBKM-UHFFFAOYSA-N 0 0 446.551 4.185 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602168 569202371 /nfs/dbraw/zinc/20/23/71/569202371.db2.gz HUDFQOFRIABJQN-DNQXCXABSA-N 0 0 436.527 4.146 50 0 IIAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2 ZINC000037602070 569202387 /nfs/dbraw/zinc/20/23/87/569202387.db2.gz XEODFWVGAOVJNW-BXKMTCNYSA-N 0 0 426.532 4.249 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037623908 569203384 /nfs/dbraw/zinc/20/33/84/569203384.db2.gz XLUAOXXZZOMIGS-UHFFFAOYSA-N 0 0 438.915 4.202 50 0 IIAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000002228098 569207955 /nfs/dbraw/zinc/20/79/55/569207955.db2.gz NQTVUEYEHFTQIM-HNNXBMFYSA-N 0 0 443.953 4.309 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccn2)cc1 ZINC000002228764 569208234 /nfs/dbraw/zinc/20/82/34/569208234.db2.gz ISYSFBVWRRIMDM-UHFFFAOYSA-N 0 0 435.484 4.208 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(=O)CCN4CCOCC4)[C@@]3(C)CC[C@H]21 ZINC000252695097 569210985 /nfs/dbraw/zinc/21/09/85/569210985.db2.gz UXZOQOXHDQJUIB-XCVFGXLCSA-N 0 0 427.585 4.185 50 0 biogenic IIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3[nH]c2=S)cc1 ZINC000003632348 569211946 /nfs/dbraw/zinc/21/19/46/569211946.db2.gz MYHUGNXGEZWOFW-UHFFFAOYSA-N 0 0 435.480 4.126 50 0 IIAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000002688347 569212643 /nfs/dbraw/zinc/21/26/43/569212643.db2.gz GEAYWKDURINDOE-UHFFFAOYSA-N 0 0 448.425 4.158 50 0 IIAARN CCC[C@@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000002970285 569213000 /nfs/dbraw/zinc/21/30/00/569213000.db2.gz GWQSNMYENQEGGH-MRXNPFEDSA-N 0 0 448.342 4.139 50 0 IIAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000027461939 569215176 /nfs/dbraw/zinc/21/51/76/569215176.db2.gz RKEWWIBKQYAZKP-AWEZNQCLSA-N 0 0 448.420 4.414 50 0 IIAARN Cc1cc(OC2CN(C(=O)CC(c3ccccc3)c3ccccc3)C2)cc(=O)n1C1CC1 ZINC000253398943 569264848 /nfs/dbraw/zinc/26/48/48/569264848.db2.gz HVTOMPBPNWMBII-UHFFFAOYSA-N 0 0 428.532 4.303 50 0 IIAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253412882 569265827 /nfs/dbraw/zinc/26/58/27/569265827.db2.gz SJMKRGKUWJWJMR-WOYCLPQFSA-N 0 0 447.004 4.041 50 0 biogenic IIAARN CCc1nnc(COc2cc(C(F)(F)F)nc3ccc(I)cc32)o1 ZINC000253415869 569266371 /nfs/dbraw/zinc/26/63/71/569266371.db2.gz KYSCCDXHKXCVAH-UHFFFAOYSA-N 0 0 449.170 4.383 50 0 IIAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2C)C[C@@H]1c1ccco1 ZINC000253425073 569267126 /nfs/dbraw/zinc/26/71/26/569267126.db2.gz APNYGEWWKHZOEB-HXUWFJFHSA-N 0 0 437.521 4.477 50 0 IIAARN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000253429969 569267528 /nfs/dbraw/zinc/26/75/28/569267528.db2.gz VZKFZUQSHJTSFC-ZDUSSCGKSA-N 0 0 427.370 4.054 50 0 IIAARN CCSc1nnc2n1-c1nnc(SCC)n1-c1sc3c(c1-2)C[C@](C)(CC)OC3 ZINC000002293981 569268140 /nfs/dbraw/zinc/26/81/40/569268140.db2.gz WWMFKQKNYUYGNZ-SFHVURJKSA-N 0 0 434.616 4.355 50 0 IIAARN CCOC(=O)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)P(=O)(OCC)OCC ZINC000002295859 569268279 /nfs/dbraw/zinc/26/82/79/569268279.db2.gz LXGIPAWLWHYZQV-ZDUSSCGKSA-N 0 0 427.221 4.270 50 0 IIAARN Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002298225 569268412 /nfs/dbraw/zinc/26/84/12/569268412.db2.gz TZEHKUMZUTVDFL-UHFFFAOYSA-N 0 0 431.883 4.391 50 0 IIAARN COc1ccc(CNC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002299174 569268425 /nfs/dbraw/zinc/26/84/25/569268425.db2.gz HIDPIFIUPLACNO-UHFFFAOYSA-N 0 0 437.503 4.154 50 0 IIAARN Fc1ccc(COC2CCN(Cc3ncc(I)s3)CC2)cc1 ZINC000253432039 569268563 /nfs/dbraw/zinc/26/85/63/569268563.db2.gz ZOWAZLIRJXSQEU-UHFFFAOYSA-N 0 0 432.302 4.068 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1cccnc1Cl)C(F)(F)F ZINC000002333973 569274061 /nfs/dbraw/zinc/27/40/61/569274061.db2.gz JPLQQCSOXFIWQE-INIZCTEOSA-N 0 0 436.217 4.052 50 0 IIAARN COc1cc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)cc(OC)c1OC ZINC000002345136 569275414 /nfs/dbraw/zinc/27/54/14/569275414.db2.gz ARTVSBHKRFOLOG-UHFFFAOYSA-N 0 0 425.485 4.341 50 0 IIAARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000252485307 569287912 /nfs/dbraw/zinc/28/79/12/569287912.db2.gz GQTUCRZIYPPVTH-QFIPXVFZSA-N 0 0 443.503 4.010 50 0 IIAARN COc1ccc(CN2CCc3c2n2ncc(-c4ccc(OC)c(OC)c4)c2nc3C)cc1 ZINC000008873954 569291786 /nfs/dbraw/zinc/29/17/86/569291786.db2.gz DMKMZWXVGFSHIE-UHFFFAOYSA-N 0 0 430.508 4.293 50 0 IIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc21 ZINC000009445175 569296315 /nfs/dbraw/zinc/29/63/15/569296315.db2.gz RSBFXPOPKLBHQX-CQSZACIVSA-N 0 0 445.566 4.120 50 0 IIAARN Cc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027756380 569296837 /nfs/dbraw/zinc/29/68/37/569296837.db2.gz GRQOAPQIAMIRMR-DEOSSOPVSA-N 0 0 433.573 4.343 50 0 IIAARN COc1cc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)cc(OC)c1OC ZINC000002393639 569298072 /nfs/dbraw/zinc/29/80/72/569298072.db2.gz WCWIHERGTLLZOE-UHFFFAOYSA-N 0 0 441.340 4.284 50 0 IIAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)C(=Cc2ccccc2)NC(C)=O)cc1 ZINC000009986168 569298969 /nfs/dbraw/zinc/29/89/69/569298969.db2.gz AUTWTZPSSUKPNT-JWGURIENSA-N 0 0 436.508 4.109 50 0 IIAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)c1 ZINC000002403549 569299877 /nfs/dbraw/zinc/29/98/77/569299877.db2.gz ONNMAJPCVIZGRG-UHFFFAOYSA-N 0 0 438.340 4.095 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1c1ncccn1 ZINC000002406294 569300218 /nfs/dbraw/zinc/30/02/18/569300218.db2.gz MUZWBMKWBIMEIX-QGZVFWFLSA-N 0 0 434.249 4.095 50 0 IIAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(N(C[C@@H](C)O)C[C@@H](C)O)n1)CCC4 ZINC000002410653 569300827 /nfs/dbraw/zinc/30/08/27/569300827.db2.gz YCPXSZSFCPJGAL-CHWSQXEVSA-N 0 0 446.642 4.142 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1OC ZINC000002413664 569301170 /nfs/dbraw/zinc/30/11/70/569301170.db2.gz OTNBLQUSALZLIC-GOSISDBHSA-N 0 0 434.473 4.325 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000002412775 569301172 /nfs/dbraw/zinc/30/11/72/569301172.db2.gz JJPDLACWXXSZLC-QFIPXVFZSA-N 0 0 431.444 4.457 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002417585 569301600 /nfs/dbraw/zinc/30/16/00/569301600.db2.gz RCRFLHUHNBGHJB-UHFFFAOYSA-N 0 0 432.480 4.436 50 0 IIAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1Cc1ccco1 ZINC000002419838 569301905 /nfs/dbraw/zinc/30/19/05/569301905.db2.gz SCILENGBPRNTGR-UHFFFAOYSA-N 0 0 438.896 4.294 50 0 IIAARN Cc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1C ZINC000002420759 569301981 /nfs/dbraw/zinc/30/19/81/569301981.db2.gz XFWMHZHXHUHJEA-UHFFFAOYSA-N 0 0 431.540 4.318 50 0 IIAARN CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CCCc2ccccc2)CO1 ZINC000002450667 569304914 /nfs/dbraw/zinc/30/49/14/569304914.db2.gz FZDVJPLRMFFBBC-UHFFFAOYSA-N 0 0 449.576 4.469 50 0 IIAARN O=C1C[C@H](Sc2ccccc2)C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000012960449 569305410 /nfs/dbraw/zinc/30/54/10/569305410.db2.gz VBFZGVNZKINLPQ-AWEZNQCLSA-N 0 0 429.851 4.086 50 0 IIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012998060 569306142 /nfs/dbraw/zinc/30/61/42/569306142.db2.gz KVTYQLCAZXRDQX-UHFFFAOYSA-N 0 0 442.393 4.110 50 0 IIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nn2)n1 ZINC000013009862 569306571 /nfs/dbraw/zinc/30/65/71/569306571.db2.gz OQNDZJAZWMWJLT-UHFFFAOYSA-N 0 0 428.452 4.004 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1 ZINC000013009827 569306621 /nfs/dbraw/zinc/30/66/21/569306621.db2.gz CTKULDMVEWDSHY-UHFFFAOYSA-N 0 0 444.495 4.292 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)nn2)n1 ZINC000013010036 569306753 /nfs/dbraw/zinc/30/67/53/569306753.db2.gz SHUWMUQWNUYYKI-UHFFFAOYSA-N 0 0 448.552 4.440 50 0 IIAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000013015270 569307027 /nfs/dbraw/zinc/30/70/27/569307027.db2.gz GDWOAGPKZUOMQC-UHFFFAOYSA-N 0 0 449.304 4.127 50 0 IIAARN O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1C2CC3CC(C2)CC1C3 ZINC000013017561 569307263 /nfs/dbraw/zinc/30/72/63/569307263.db2.gz UMQGUERJNJMAAX-UHFFFAOYSA-N 0 0 438.549 4.098 50 0 IIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cc(Cl)ccc1C ZINC000013040370 569307951 /nfs/dbraw/zinc/30/79/51/569307951.db2.gz LZCJHKCKMWAFTF-UHFFFAOYSA-N 0 0 427.854 4.355 50 0 IIAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC ZINC000013039507 569308034 /nfs/dbraw/zinc/30/80/34/569308034.db2.gz QSKHRDXRSVOEHX-UHFFFAOYSA-N 0 0 440.949 4.076 50 0 IIAARN CC(=O)N(c1nc(CSc2nnnn2Cc2cccs2)cs1)c1ccccc1F ZINC000013115174 569310776 /nfs/dbraw/zinc/31/07/76/569310776.db2.gz NKQULRKYFYQURW-UHFFFAOYSA-N 0 0 446.558 4.355 50 0 IIAARN CSc1nc2nc(C)c(CCC(=O)NC(c3ccccc3)c3ccccc3)c(C)n2n1 ZINC000013120644 569311126 /nfs/dbraw/zinc/31/11/26/569311126.db2.gz FNNIHODXLJEHFZ-UHFFFAOYSA-N 0 0 431.565 4.301 50 0 IIAARN CSc1nc2nc(C)c(CCC(=O)OCc3c(Cl)cccc3Cl)c(C)n2n1 ZINC000013145640 569311868 /nfs/dbraw/zinc/31/18/68/569311868.db2.gz LFCMCWHHXKOSPC-UHFFFAOYSA-N 0 0 425.341 4.446 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355261 569313550 /nfs/dbraw/zinc/31/35/50/569313550.db2.gz DOLFDGNXQDIOOS-UHFFFAOYSA-N 0 0 434.561 4.377 50 0 IIAARN Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C(C)C)o1 ZINC000013356227 569313609 /nfs/dbraw/zinc/31/36/09/569313609.db2.gz DNMYDONADOJVMX-JOCHJYFZSA-N 0 0 444.528 4.013 50 0 IIAARN CC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NCc1ccc(F)cc1Cl ZINC000013358699 569313707 /nfs/dbraw/zinc/31/37/07/569313707.db2.gz QRFFTHMRMQTGEB-UHFFFAOYSA-N 0 0 426.966 4.494 50 0 IIAARN COc1cccc(CC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)c1 ZINC000013361070 569314027 /nfs/dbraw/zinc/31/40/27/569314027.db2.gz PXCWPJGBBGIHAG-UHFFFAOYSA-N 0 0 431.517 4.405 50 0 IIAARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)C(C)=N2 ZINC000013363343 569314151 /nfs/dbraw/zinc/31/41/51/569314151.db2.gz WCZLCJMBFWLPTQ-IBGZPJMESA-N 0 0 446.573 4.430 50 0 IIAARN COc1ccc(NC(=O)c2ccco2)cc1Nc1cc(C)nc2nc(-c3ccco3)nn21 ZINC000013364789 569314250 /nfs/dbraw/zinc/31/42/50/569314250.db2.gz CUKKAGOTGOGTRO-UHFFFAOYSA-N 0 0 430.424 4.290 50 0 IIAARN COc1cc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc(OC)c1OC ZINC000013366932 569314342 /nfs/dbraw/zinc/31/43/42/569314342.db2.gz AFMUXJFZJHCBMO-UHFFFAOYSA-N 0 0 432.480 4.018 50 0 IIAARN Cc1cc2nc(COc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)cc(=O)n2o1 ZINC000013368469 569314626 /nfs/dbraw/zinc/31/46/26/569314626.db2.gz SNZRXJJXCZGEGG-UHFFFAOYSA-N 0 0 433.508 4.330 50 0 IIAARN Cc1ccc([C@H](O)c2ccccn2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000328595937 569317871 /nfs/dbraw/zinc/31/78/71/569317871.db2.gz KZWOSMWCUCBPSQ-QHCPKHFHSA-N 0 0 445.500 4.375 50 0 IIAARN CCN(CC)Cc1nc(C2(NC(=O)c3nc(-c4ccco4)sc3C)CCCC2)no1 ZINC000078714205 569318452 /nfs/dbraw/zinc/31/84/52/569318452.db2.gz OWOINFAHJNFQTM-UHFFFAOYSA-N 0 0 429.546 4.136 50 0 IIAARN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000078729421 569318754 /nfs/dbraw/zinc/31/87/54/569318754.db2.gz ZSOXGTKYRPZXBP-IRXDYDNUSA-N 0 0 429.492 4.013 50 0 IIAARN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000078814402 569319351 /nfs/dbraw/zinc/31/93/51/569319351.db2.gz ZMXDXZRDDCYJFB-XZOQPEGZSA-N 0 0 430.589 4.176 50 0 IIAARN CCc1noc(CN(CCN(Cc2nc(CC)no2)c2ccccc2)c2ccccc2)n1 ZINC000078969891 569321032 /nfs/dbraw/zinc/32/10/32/569321032.db2.gz SMMDZXIIFIZDPE-UHFFFAOYSA-N 0 0 432.528 4.291 50 0 IIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000078989980 569321429 /nfs/dbraw/zinc/32/14/29/569321429.db2.gz NMMLDIWUIQUSJX-KIMHZCHSSA-N 0 0 441.478 4.215 50 0 IIAARN COc1cccc([C@H](NC(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)C(C)(C)C)c1 ZINC000079013753 569321889 /nfs/dbraw/zinc/32/18/89/569321889.db2.gz LMZBEJKTWSFXDQ-FQEVSTJZSA-N 0 0 427.570 4.446 50 0 IIAARN COc1ccc(C)cc1[C@@H](C)Nc1nc2cc(S(=O)(=O)N(C)C)ccc2nc1Cl ZINC000079046759 569323105 /nfs/dbraw/zinc/32/31/05/569323105.db2.gz AWXPTFHDUPLQGJ-CYBMUJFWSA-N 0 0 434.949 4.024 50 0 IIAARN CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1cccnc1 ZINC000079050451 569323205 /nfs/dbraw/zinc/32/32/05/569323205.db2.gz KSIBCJIWTPVEHO-NRFANRHFSA-N 0 0 439.462 4.487 50 0 IIAARN O=C(C[C@@H]1COCCN1C(=O)c1cc2ccc(Br)cc2[nH]1)c1cccs1 ZINC000079056035 569323650 /nfs/dbraw/zinc/32/36/50/569323650.db2.gz JNRDIVZVQZHOET-CQSZACIVSA-N 0 0 433.327 4.106 50 0 IIAARN O=C(C[C@H]1COCCN1C(=O)c1cc2ccc(Br)cc2[nH]1)c1cccs1 ZINC000079056040 569323685 /nfs/dbraw/zinc/32/36/85/569323685.db2.gz JNRDIVZVQZHOET-AWEZNQCLSA-N 0 0 433.327 4.106 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1Cn1cccn1 ZINC000079096434 569325321 /nfs/dbraw/zinc/32/53/21/569325321.db2.gz WFNOEVFVUVINDR-OAHLLOKOSA-N 0 0 435.915 4.475 50 0 IIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000019867649 569331011 /nfs/dbraw/zinc/33/10/11/569331011.db2.gz JCCYHZODHCRWIV-UHFFFAOYSA-N 0 0 440.487 4.194 50 0 IIAARN CC(=O)Oc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br ZINC000020075778 569333805 /nfs/dbraw/zinc/33/38/05/569333805.db2.gz FALLZQSNIIBGMQ-WTKPLQERSA-N 0 0 437.134 4.466 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC[C@H]1CCCO1 ZINC000020116123 569335094 /nfs/dbraw/zinc/33/50/94/569335094.db2.gz PGVHKXRAXCYKQK-YLRFYHFBSA-N 0 0 438.612 4.204 50 0 IIAARN O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NC[C@H]1CCCO1 ZINC000020181347 569355285 /nfs/dbraw/zinc/35/52/85/569355285.db2.gz NBVMKJBSMWAJMW-XNHPLOEXSA-N 0 0 428.941 4.115 50 0 IIAARN CCOC(CCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C)OCC ZINC000020182293 569355372 /nfs/dbraw/zinc/35/53/72/569355372.db2.gz QHZWWZGYECRKHX-UHFFFAOYSA-N 0 0 439.556 4.127 50 0 IIAARN COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)c3ccc(C4CCCCC4)cc3)n2)c1 ZINC000020330737 569360921 /nfs/dbraw/zinc/36/09/21/569360921.db2.gz SZNVEEFFDAUHCP-UHFFFAOYSA-N 0 0 441.553 4.434 50 0 IIAARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000020386044 569363169 /nfs/dbraw/zinc/36/31/69/569363169.db2.gz LUGROWISCFIJQS-UHFFFAOYSA-N 0 0 430.936 4.363 50 0 IIAARN CSc1cccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)c1 ZINC000020414711 569364316 /nfs/dbraw/zinc/36/43/16/569364316.db2.gz YZSDLKDYSYJTFR-UHFFFAOYSA-N 0 0 449.576 4.105 50 0 IIAARN CCOc1ccc(-c2cc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)on2)cc1 ZINC000020414551 569364328 /nfs/dbraw/zinc/36/43/28/569364328.db2.gz YHZXJAZYHKZXHC-UHFFFAOYSA-N 0 0 444.491 4.429 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccccc3F)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417649 569365061 /nfs/dbraw/zinc/36/50/61/569365061.db2.gz MBEGUNMQSHZRMB-UHFFFAOYSA-N 0 0 438.890 4.294 50 0 IIAARN O=C(c1nn(-c2cccc(Br)c2)c2c1CCCC2)N1CCC[C@H]2COCC[C@H]21 ZINC000095410802 569365289 /nfs/dbraw/zinc/36/52/89/569365289.db2.gz QZHFQBOEMWJFAJ-HNAYVOBHSA-N 0 0 444.373 4.155 50 0 IIAARN CCN1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)CC1 ZINC000020437118 569365529 /nfs/dbraw/zinc/36/55/29/569365529.db2.gz HUYYFCSSSRDYOT-UHFFFAOYSA-N 0 0 433.600 4.059 50 0 IIAARN COc1cccc(Oc2ccc(CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cn2)c1 ZINC000095426991 569366009 /nfs/dbraw/zinc/36/60/09/569366009.db2.gz IDOZZQWZZGBZSI-FQEVSTJZSA-N 0 0 443.544 4.438 50 0 IIAARN CCCCN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2ccncc2)[C@@H]1c1ccccc1OC ZINC000095454202 569368192 /nfs/dbraw/zinc/36/81/92/569368192.db2.gz BCQDIYVVGHJNQV-URXFXBBRSA-N 0 0 437.584 4.264 50 0 IIAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000095460728 569369750 /nfs/dbraw/zinc/36/97/50/569369750.db2.gz GOBUKZCYFCBTNE-LBPRGKRZSA-N 0 0 432.311 4.469 50 0 IIAARN COc1cccc([C@@H]2[C@H](C(=O)Nc3nc(-c4cccc(O)c4)cs3)CC(=O)N2C2CC2)c1 ZINC000095463751 569370391 /nfs/dbraw/zinc/37/03/91/569370391.db2.gz IGHFXJHICOHHPV-DENIHFKCSA-N 0 0 449.532 4.215 50 0 IIAARN C[C@@H](NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)c1ccccc1 ZINC000095466468 569370907 /nfs/dbraw/zinc/37/09/07/569370907.db2.gz VPJJWADCWDHMRF-LJQANCHMSA-N 0 0 440.499 4.084 50 0 IIAARN Cc1nnc(CCCOC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)o1 ZINC000095466554 569370932 /nfs/dbraw/zinc/37/09/32/569370932.db2.gz RBDPZERPOPKNCY-UHFFFAOYSA-N 0 0 431.558 4.051 50 0 IIAARN CC(C)(C)C1CCC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(n2cccc2)CC1 ZINC000095477096 569373168 /nfs/dbraw/zinc/37/31/68/569373168.db2.gz UFPDPTVOLOAHFH-UHFFFAOYSA-N 0 0 437.510 4.463 50 0 IIAARN COc1cccc(-n2cnc3c2[C@@H](c2cc(OC)c(O)c(OC)c2)SCC(=O)N3)c1 ZINC000095477225 569373215 /nfs/dbraw/zinc/37/32/15/569373215.db2.gz OGIBONGQBAIVJE-HXUWFJFHSA-N 0 0 427.482 4.028 50 0 IIAARN Cn1nc(CC(=O)Nc2cccc3c2ccn3Cc2cccc(F)c2)c2ccccc2c1=O ZINC000095477643 569373391 /nfs/dbraw/zinc/37/33/91/569373391.db2.gz BKKIHEXMEUZIKI-UHFFFAOYSA-N 0 0 440.478 4.257 50 0 IIAARN C[C@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)c1nnc2ccccn21 ZINC000095478391 569373554 /nfs/dbraw/zinc/37/35/54/569373554.db2.gz AZUFOLDJSTWKFY-XJKSGUPXSA-N 0 0 433.339 4.425 50 0 IIAARN CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000020645341 569374768 /nfs/dbraw/zinc/37/47/68/569374768.db2.gz XQWRWCMKYBJUDK-UHFFFAOYSA-N 0 0 442.629 4.037 50 0 IIAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1C ZINC000007965020 569375163 /nfs/dbraw/zinc/37/51/63/569375163.db2.gz XHSDVXRVXLQFAG-UHFFFAOYSA-N 0 0 425.529 4.039 50 0 IIAARN COc1cccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@H](c3cccc(OC)c3)C2)c1 ZINC000095945520 569375862 /nfs/dbraw/zinc/37/58/62/569375862.db2.gz RYEANBFKWHQBSB-DEOSSOPVSA-N 0 0 441.487 4.042 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945523 569375933 /nfs/dbraw/zinc/37/59/33/569375933.db2.gz BDDSUUAQPGFJEN-JOCHJYFZSA-N 0 0 440.496 4.383 50 0 IIAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000095947442 569376463 /nfs/dbraw/zinc/37/64/63/569376463.db2.gz FWQNTUUZWCWWAX-IBGZPJMESA-N 0 0 444.004 4.005 50 0 IIAARN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@H](C(=O)N(C)C)c1ccccc1 ZINC000095962736 569377088 /nfs/dbraw/zinc/37/70/88/569377088.db2.gz CPINLPOYENGMNE-LIRRHRJNSA-N 0 0 432.314 4.031 50 0 IIAARN CCCC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)C1 ZINC000096011881 569380025 /nfs/dbraw/zinc/38/00/25/569380025.db2.gz PIRRZNJGNSDFED-DHIUTWEWSA-N 0 0 433.552 4.002 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)NCc2ccnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000096012011 569380085 /nfs/dbraw/zinc/38/00/85/569380085.db2.gz XVDZQMNVYZYXEK-UXHICEINSA-N 0 0 447.535 4.188 50 0 IIAARN O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC(Cc2ccccc2)CC1 ZINC000096097172 569381424 /nfs/dbraw/zinc/38/14/24/569381424.db2.gz XVXUDUYTWOJYHV-UHFFFAOYSA-N 0 0 425.326 4.386 50 0 IIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccccc1S(=O)(=O)C(F)F ZINC000096103569 569382064 /nfs/dbraw/zinc/38/20/64/569382064.db2.gz YFIACVQIYGGGIN-UHFFFAOYSA-N 0 0 444.415 4.293 50 0 IIAARN COC1CCN(c2ccc(NC(=O)c3c4ccc(Br)cc4nn3C)cc2)CC1 ZINC000096104488 569382224 /nfs/dbraw/zinc/38/22/24/569382224.db2.gz AQLZOWMLSBPVCF-UHFFFAOYSA-N 0 0 443.345 4.203 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCc1cccc(F)c1)C(=O)OC2 ZINC000096114050 569382670 /nfs/dbraw/zinc/38/26/70/569382670.db2.gz XPHIJRGTMUOGAZ-VIZOYTHASA-N 0 0 441.499 4.147 50 0 biogenic IIAARN COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2ccc(C)cc2)cc(=O)c1O ZINC000096114792 569383048 /nfs/dbraw/zinc/38/30/48/569383048.db2.gz IVLLUKDRYHFUBQ-IBGZPJMESA-N 0 0 426.490 4.347 50 0 biogenic IIAARN CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096116405 569383753 /nfs/dbraw/zinc/38/37/53/569383753.db2.gz RYDPNESHDRKPPM-HNNXBMFYSA-N 0 0 432.432 4.090 50 0 biogenic IIAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000096117039 569383895 /nfs/dbraw/zinc/38/38/95/569383895.db2.gz OYPAUCQLPJLRSF-HNNXBMFYSA-N 0 0 440.388 4.194 50 0 IIAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117284 569384120 /nfs/dbraw/zinc/38/41/20/569384120.db2.gz PRUWJVJQVNMZJR-HNAYVOBHSA-N 0 0 438.553 4.045 50 0 IIAARN COc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000096203331 569386354 /nfs/dbraw/zinc/38/63/54/569386354.db2.gz CKSGKMJTDGQRLT-UHFFFAOYSA-N 0 0 440.521 4.268 50 0 IIAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cc2O1 ZINC000096221643 569387071 /nfs/dbraw/zinc/38/70/71/569387071.db2.gz SJIPHDYGTZDAMT-GOSISDBHSA-N 0 0 434.492 4.190 50 0 biogenic IIAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)NCCc1c[nH]c2ccccc12 ZINC000096231342 569387629 /nfs/dbraw/zinc/38/76/29/569387629.db2.gz FQUDHZLJCLPZIS-UHFFFAOYSA-N 0 0 428.517 4.033 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC2CC2)C(=O)c2ccco2)cc1 ZINC000096288773 569390534 /nfs/dbraw/zinc/39/05/34/569390534.db2.gz XTFIAZDAAHRSFN-UHFFFAOYSA-N 0 0 441.505 4.108 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)C3CCC3)cc2)cc1 ZINC000096291343 569391102 /nfs/dbraw/zinc/39/11/02/569391102.db2.gz KLKWICKMJMNLDG-UHFFFAOYSA-N 0 0 429.538 4.002 50 0 IIAARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000096293888 569391697 /nfs/dbraw/zinc/39/16/97/569391697.db2.gz ZYHCSWQEUAQODN-UHFFFAOYSA-N 0 0 447.553 4.168 50 0 IIAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccccc1C(N)=O ZINC000096293876 569391706 /nfs/dbraw/zinc/39/17/06/569391706.db2.gz AMQCEDHFWMALOE-UHFFFAOYSA-N 0 0 430.533 4.258 50 0 IIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C(\C)c2ccccc2Cl)CC1 ZINC000096316185 569392767 /nfs/dbraw/zinc/39/27/67/569392767.db2.gz IEMKMVHDHGGMSZ-FBMGVBCBSA-N 0 0 425.960 4.089 50 0 IIAARN CCNC(=O)N1CCN(c2nc([C@H](C)CC)nc(CC)c2Cc2ccccc2F)CC1 ZINC000096317155 569393140 /nfs/dbraw/zinc/39/31/40/569393140.db2.gz NZIAKSBCGBMJCA-QGZVFWFLSA-N 0 0 427.568 4.134 50 0 IIAARN CCNC(=O)N1CCN(c2nc([C@@H](C)CC)nc(CC)c2Cc2ccccc2F)CC1 ZINC000096317154 569393231 /nfs/dbraw/zinc/39/32/31/569393231.db2.gz NZIAKSBCGBMJCA-KRWDZBQOSA-N 0 0 427.568 4.134 50 0 IIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cccc(C)c1 ZINC000096317233 569393243 /nfs/dbraw/zinc/39/32/43/569393243.db2.gz QQDAUEARMMQTLC-UHFFFAOYSA-N 0 0 448.567 4.201 50 0 IIAARN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCc1ccc(F)cc1 ZINC000096322319 569394543 /nfs/dbraw/zinc/39/45/43/569394543.db2.gz COTFKNLPCFNDEG-UHFFFAOYSA-N 0 0 448.889 4.086 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(F)cc2)c1 ZINC000096335958 569396675 /nfs/dbraw/zinc/39/66/75/569396675.db2.gz GQQLTBLUASXPJX-NFBKMPQASA-N 0 0 431.419 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CCCn1c(=O)c2cc(O)ccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000003228268 569442260 /nfs/dbraw/zinc/44/22/60/569442260.db2.gz GWRIKDFBFQFPHG-UHFFFAOYSA-N 0 0 437.443 4.262 50 0 IIAARN Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 ZINC000003237748 569442510 /nfs/dbraw/zinc/44/25/10/569442510.db2.gz FUDCLCBWZPJUSD-UHFFFAOYSA-N 0 0 427.961 4.442 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NC1CCCCC1 ZINC000003250841 569442898 /nfs/dbraw/zinc/44/28/98/569442898.db2.gz MRAYMGAAUKEOIH-UHFFFAOYSA-N 0 0 429.492 4.205 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000030497628 569442915 /nfs/dbraw/zinc/44/29/15/569442915.db2.gz INYWQWGUFTUEAF-UHFFFAOYSA-N 0 0 449.576 4.162 50 0 IIAARN CCOC(=O)C1=C2Sc3ccccc3N2[C@@](c2ccc(C)cc2)(C(F)(F)F)NC1=O ZINC000003261813 569443225 /nfs/dbraw/zinc/44/32/25/569443225.db2.gz SXZAIXOBGGDGLV-FQEVSTJZSA-N 0 0 434.439 4.227 50 0 IIAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000003267347 569443454 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O=C(CSCc1cc(=O)n2ccsc2n1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000031487307 569456536 /nfs/dbraw/zinc/45/65/36/569456536.db2.gz YJYLFVLSZNWLJB-UHFFFAOYSA-N 0 0 449.001 4.272 50 0 IIAARN Cc1c(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000004046147 569458459 /nfs/dbraw/zinc/45/84/59/569458459.db2.gz KYFBYWJFTIXMHL-SFHVURJKSA-N 0 0 427.497 4.285 50 0 biogenic IIAARN Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032071466 569459265 /nfs/dbraw/zinc/45/92/65/569459265.db2.gz GOPMHINFGMFWBB-UHFFFAOYSA-N 0 0 428.517 4.196 50 0 IIAARN CN1c2cc(F)ccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)C1=O ZINC000032096694 569459890 /nfs/dbraw/zinc/45/98/90/569459890.db2.gz BSSSZMWXAHBZLT-FQEVSTJZSA-N 0 0 446.360 4.164 50 0 IIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(OC)c(OCC(C)C)c2)nn1 ZINC000032101998 569460139 /nfs/dbraw/zinc/46/01/39/569460139.db2.gz FCGHEVHNFKYROH-MRXNPFEDSA-N 0 0 437.500 4.146 50 0 IIAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)C(=O)C1CCC1 ZINC000004146356 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IIAARN COc1cccc(CNC(=O)c2sc(-c3nnn(-c4ccc(F)cc4)c3C)nc2C)c1 ZINC000038487602 569462962 /nfs/dbraw/zinc/46/29/62/569462962.db2.gz TXSGUYKEKQUZNM-UHFFFAOYSA-N 0 0 437.500 4.085 50 0 IIAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038523013 569463151 /nfs/dbraw/zinc/46/31/51/569463151.db2.gz NEDCCPOKWXZFHJ-UHFFFAOYSA-N 0 0 431.471 4.140 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(C)cc2)cc(OCC)c1OCC ZINC000067197568 569464429 /nfs/dbraw/zinc/46/44/29/569464429.db2.gz VMAHEWGLNUPAPG-QGZVFWFLSA-N 0 0 429.513 4.225 50 0 IIAARN O=C(Cc1ccccc1Cl)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205905 569464676 /nfs/dbraw/zinc/46/46/76/569464676.db2.gz QYTKMDDDJHCMQQ-UHFFFAOYSA-N 0 0 425.872 4.067 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1nccs1 ZINC000067207626 569464707 /nfs/dbraw/zinc/46/47/07/569464707.db2.gz QGNVZXZSSFAIQH-UHFFFAOYSA-N 0 0 430.287 4.063 50 0 IIAARN CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1)c1cccc(C)c1 ZINC000067236245 569465394 /nfs/dbraw/zinc/46/53/94/569465394.db2.gz CWMAZNMFQZCXHD-UHFFFAOYSA-N 0 0 436.537 4.128 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067237155 569465475 /nfs/dbraw/zinc/46/54/75/569465475.db2.gz JTWIUBHAZZPTSM-UHFFFAOYSA-N 0 0 446.532 4.264 50 0 IIAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000067238461 569465587 /nfs/dbraw/zinc/46/55/87/569465587.db2.gz SIZXOPMEZXFEPQ-INIZCTEOSA-N 0 0 426.586 4.063 50 0 IIAARN CCN(Cc1ccccc1)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C ZINC000067238039 569465590 /nfs/dbraw/zinc/46/55/90/569465590.db2.gz MLGYJNXOXXLALT-UHFFFAOYSA-N 0 0 426.586 4.220 50 0 IIAARN COc1cccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1 ZINC000067260202 569466327 /nfs/dbraw/zinc/46/63/27/569466327.db2.gz ZERPQSMFKGQOBT-UHFFFAOYSA-N 0 0 433.942 4.236 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1C ZINC000067260886 569466419 /nfs/dbraw/zinc/46/64/19/569466419.db2.gz FAWWYTUHGBVTBA-UHFFFAOYSA-N 0 0 434.927 4.140 50 0 IIAARN CC(C)c1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000067261070 569466447 /nfs/dbraw/zinc/46/64/47/569466447.db2.gz PYFLSZNZIRHCJJ-UHFFFAOYSA-N 0 0 432.499 4.132 50 0 IIAARN Cc1cccc(-n2c(=O)nc3nc(NCc4ccccc4C(F)(F)F)[nH]cc-3c2=O)c1C ZINC000067263627 569466691 /nfs/dbraw/zinc/46/66/91/569466691.db2.gz ZBOYQXHOIFDKDT-UHFFFAOYSA-N 0 0 441.413 4.129 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)N[C@H](C)CCc4ccccc4)c3)n2)c1 ZINC000067289553 569467496 /nfs/dbraw/zinc/46/74/96/569467496.db2.gz XKHDTQAGOZKFJA-LJQANCHMSA-N 0 0 442.519 4.011 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)Nc3c(C)cc(C)cc3C)c2c(=O)n1CC(C)C ZINC000067319953 569468598 /nfs/dbraw/zinc/46/85/98/569468598.db2.gz IAPDJJSIZVAWDF-UHFFFAOYSA-N 0 0 426.586 4.448 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)Nc1ccc(C)cc1Cl ZINC000067323304 569468794 /nfs/dbraw/zinc/46/87/94/569468794.db2.gz UKZDJXZBYZITDF-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 ZINC000067339468 569468975 /nfs/dbraw/zinc/46/89/75/569468975.db2.gz UTSSNCWMXRNZMJ-FNORWQNLSA-N 0 0 443.839 4.320 50 0 IIAARN C[C@@H]1CN(C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccco2)CC3)C[C@@H](C)O1 ZINC000008620867 569469428 /nfs/dbraw/zinc/46/94/28/569469428.db2.gz IYYCWHMVYVXFMI-DSXONILISA-N 0 0 446.503 4.107 50 0 IIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1OC ZINC000008660806 569469716 /nfs/dbraw/zinc/46/97/16/569469716.db2.gz DQOSGPQSAOWUAY-BBRMVZONSA-N 0 0 426.439 4.089 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1OC ZINC000008720249 569471562 /nfs/dbraw/zinc/47/15/62/569471562.db2.gz NOFIKYPUHUFBMY-UHFFFAOYSA-N 0 0 440.521 4.374 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008720797 569471633 /nfs/dbraw/zinc/47/16/33/569471633.db2.gz UWPBQVHHOIGWTC-UHFFFAOYSA-N 0 0 448.474 4.012 50 0 IIAARN C[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000008721412 569471720 /nfs/dbraw/zinc/47/17/20/569471720.db2.gz FKJPATNCAPDONV-HUUCEWRRSA-N 0 0 439.453 4.359 50 0 IIAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000008723404 569471867 /nfs/dbraw/zinc/47/18/67/569471867.db2.gz ZTPWCWMDURUVJR-KRWDZBQOSA-N 0 0 440.521 4.044 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000008725998 569472238 /nfs/dbraw/zinc/47/22/38/569472238.db2.gz CMMDHEUPURPVGY-NRFANRHFSA-N 0 0 436.562 4.335 50 0 IIAARN CC(=O)Nc1nc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cs1 ZINC000008726955 569472374 /nfs/dbraw/zinc/47/23/74/569472374.db2.gz RVCNZPNTQYLBSY-UHFFFAOYSA-N 0 0 434.978 4.228 50 0 IIAARN CC1CCN(c2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000008746956 569473116 /nfs/dbraw/zinc/47/31/16/569473116.db2.gz BXSPDMXPNQNAQT-FQEVSTJZSA-N 0 0 444.622 4.454 50 0 IIAARN O=C(CN1CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1)Nc1ccccc1 ZINC000008748912 569473201 /nfs/dbraw/zinc/47/32/01/569473201.db2.gz LTRBWEQVKUTCDP-UHFFFAOYSA-N 0 0 429.520 4.312 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1NC(C)=O ZINC000008749504 569473313 /nfs/dbraw/zinc/47/33/13/569473313.db2.gz LILYCVXHHANVGK-UHFFFAOYSA-N 0 0 434.533 4.316 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000008752718 569473592 /nfs/dbraw/zinc/47/35/92/569473592.db2.gz XWGIOLFKJGIUCF-UHFFFAOYSA-N 0 0 437.721 4.129 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccsc2)c1 ZINC000008769781 569475050 /nfs/dbraw/zinc/47/50/50/569475050.db2.gz ACUNBZIZQDJZCV-UHFFFAOYSA-N 0 0 430.551 4.153 50 0 IIAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCCC1)c1cccs1 ZINC000008770714 569475181 /nfs/dbraw/zinc/47/51/81/569475181.db2.gz HFCPFSOGLALLDF-UZYVYHOESA-N 0 0 432.958 4.016 50 0 IIAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1 ZINC000008777598 569475471 /nfs/dbraw/zinc/47/54/71/569475471.db2.gz RYKAXXSBMNLZTB-GOSISDBHSA-N 0 0 433.339 4.331 50 0 IIAARN COc1ccc(OC)c(-c2cc3ccc(OC(=O)c4ccc5c(c4)OCO5)cc3oc2=O)c1 ZINC000008790288 569476053 /nfs/dbraw/zinc/47/60/53/569476053.db2.gz IQQHHGOBXFLQGH-UHFFFAOYSA-N 0 0 446.411 4.425 50 0 biogenic IIAARN O=C(NCCc1cccc(F)c1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791166 569476153 /nfs/dbraw/zinc/47/61/53/569476153.db2.gz MCGFMPYSRINADF-ZCYQVOJMSA-N 0 0 439.490 4.136 50 0 biogenic IIAARN COc1ccc(CNC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000008791062 569476168 /nfs/dbraw/zinc/47/61/68/569476168.db2.gz UYOACMCAJUTCOJ-UHFFFAOYSA-N 0 0 445.471 4.172 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccncc1)OC1(CCCCC1)CC3 ZINC000008792086 569476317 /nfs/dbraw/zinc/47/63/17/569476317.db2.gz BBNSWEGUQVOICG-UHFFFAOYSA-N 0 0 432.520 4.383 50 0 biogenic IIAARN Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000008818953 569477000 /nfs/dbraw/zinc/47/70/00/569477000.db2.gz YYQFJXHNKDMSNS-UHFFFAOYSA-N 0 0 441.442 4.352 50 0 IIAARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008834487 569477895 /nfs/dbraw/zinc/47/78/95/569477895.db2.gz HKQRZCQREBPHFW-NRFANRHFSA-N 0 0 437.583 4.319 50 0 IIAARN CCOC(=O)c1cccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 ZINC000008836622 569478120 /nfs/dbraw/zinc/47/81/20/569478120.db2.gz FNXIPFSEIRQXPL-UHFFFAOYSA-N 0 0 443.507 4.005 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 ZINC000008840875 569478401 /nfs/dbraw/zinc/47/84/01/569478401.db2.gz WQDCUVIIWVQYPP-UHFFFAOYSA-N 0 0 443.569 4.080 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000008851469 569479380 /nfs/dbraw/zinc/47/93/80/569479380.db2.gz HVYGETWTBNUPGZ-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)o2)c1 ZINC000008862301 569480150 /nfs/dbraw/zinc/48/01/50/569480150.db2.gz HGAVVKNHCNJZFA-UHFFFAOYSA-N 0 0 444.944 4.196 50 0 IIAARN COC(=O)c1ccc(CSc2nnc(NC(=O)CSc3ccccc3)s2)cc1 ZINC000008862512 569480234 /nfs/dbraw/zinc/48/02/34/569480234.db2.gz UPYDZZJKWHYMJB-UHFFFAOYSA-N 0 0 431.564 4.348 50 0 IIAARN CCc1ccc(CN(C(=O)Cc2coc3ccc(CC)cc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869307 569480421 /nfs/dbraw/zinc/48/04/21/569480421.db2.gz ACCNZUOVSPKRHF-QFIPXVFZSA-N 0 0 439.577 4.316 50 0 IIAARN CCOC(=O)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 ZINC000008869964 569480466 /nfs/dbraw/zinc/48/04/66/569480466.db2.gz NDGLMVDFUKHXRF-QGZVFWFLSA-N 0 0 426.296 4.192 50 0 IIAARN COc1ccc(/C=C/C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869772 569480507 /nfs/dbraw/zinc/48/05/07/569480507.db2.gz HTYJWWKTYWKDLD-FZNBYNMYSA-N 0 0 435.545 4.078 50 0 IIAARN Nc1c(-c2nnc(Nc3cccc(Br)c3)o2)nnn1-c1ccc(Cl)cc1 ZINC000039932695 569482057 /nfs/dbraw/zinc/48/20/57/569482057.db2.gz RPCUYIJQROWIPD-UHFFFAOYSA-N 0 0 432.669 4.059 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000040012140 569482493 /nfs/dbraw/zinc/48/24/93/569482493.db2.gz MQCCAJOSNHTXKO-UHFFFAOYSA-N 0 0 427.888 4.021 50 0 IIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000040023497 569482732 /nfs/dbraw/zinc/48/27/32/569482732.db2.gz GZGDNAWNRRWCKS-UHFFFAOYSA-N 0 0 440.468 4.409 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1ccc2c(c1)OCO2 ZINC000008880945 569482850 /nfs/dbraw/zinc/48/28/50/569482850.db2.gz BCDARMFHXATESE-UHFFFAOYSA-N 0 0 440.525 4.181 50 0 IIAARN CC(C)Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000008884457 569483135 /nfs/dbraw/zinc/48/31/35/569483135.db2.gz MOKUWFKPPRWYGI-UHFFFAOYSA-N 0 0 427.357 4.149 50 0 IIAARN CSc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(=O)[nH]1 ZINC000040040621 569483522 /nfs/dbraw/zinc/48/35/22/569483522.db2.gz SMSNNMSWKMUTCK-UHFFFAOYSA-N 0 0 437.525 4.016 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC000008893504 569483578 /nfs/dbraw/zinc/48/35/78/569483578.db2.gz AHQFKIIDZUQXCT-ZBFHGGJFSA-N 0 0 434.993 4.489 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC(F)F ZINC000040049938 569484186 /nfs/dbraw/zinc/48/41/86/569484186.db2.gz GRLXKUQXGOVJRK-QQYMGJJXSA-N 0 0 448.510 4.443 50 0 IIAARN C[C@H](OC(=O)CNC(=O)c1ccco1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040052138 569484484 /nfs/dbraw/zinc/48/44/84/569484484.db2.gz KRKHGNVOTLDNKF-HNNXBMFYSA-N 0 0 437.883 4.365 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)s1 ZINC000008912682 569485090 /nfs/dbraw/zinc/48/50/90/569485090.db2.gz YFKNCHIIBXKVRT-KRWDZBQOSA-N 0 0 429.977 4.132 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 ZINC000040068647 569485123 /nfs/dbraw/zinc/48/51/23/569485123.db2.gz ZTQSWNSLBNHISY-MRXNPFEDSA-N 0 0 425.554 4.420 50 0 IIAARN C[C@H]1C[C@H](N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070974 569485668 /nfs/dbraw/zinc/48/56/68/569485668.db2.gz AFRUHYVZOYCPDW-RXVVDRJESA-N 0 0 432.630 4.293 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008917114 569485994 /nfs/dbraw/zinc/48/59/94/569485994.db2.gz JEAJLBNZSVNOJL-UHFFFAOYSA-N 0 0 431.876 4.220 50 0 IIAARN COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)cc21 ZINC000040087018 569486718 /nfs/dbraw/zinc/48/67/18/569486718.db2.gz ZGEFKURRRKNYCC-UHFFFAOYSA-N 0 0 428.448 4.163 50 0 IIAARN Cc1nc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000008928150 569487403 /nfs/dbraw/zinc/48/74/03/569487403.db2.gz LJYYDGUZKVTUCH-KRWDZBQOSA-N 0 0 435.958 4.050 50 0 IIAARN CC(C)c1ccc(NC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000008931723 569487567 /nfs/dbraw/zinc/48/75/67/569487567.db2.gz BWROOEVLJHPDAX-UHFFFAOYSA-N 0 0 432.524 4.214 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)Nc1ccc(F)cc1F ZINC000008933021 569487766 /nfs/dbraw/zinc/48/77/66/569487766.db2.gz KFQPFNZIIRPUAZ-UHFFFAOYSA-N 0 0 444.441 4.316 50 0 IIAARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933381 569487822 /nfs/dbraw/zinc/48/78/22/569487822.db2.gz BEAGRCAHCXACJF-JTSKRJEESA-N 0 0 446.526 4.234 50 0 IIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000008935963 569488028 /nfs/dbraw/zinc/48/80/28/569488028.db2.gz HDJVOIJJVOVLCG-CYBMUJFWSA-N 0 0 432.929 4.321 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000040104089 569488120 /nfs/dbraw/zinc/48/81/20/569488120.db2.gz YVZAEGJTGHNRCV-UHFFFAOYSA-N 0 0 427.302 4.078 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc1C ZINC000040114370 569489054 /nfs/dbraw/zinc/48/90/54/569489054.db2.gz BOHFCLOFJDDYMT-SFHVURJKSA-N 0 0 427.520 4.273 50 0 IIAARN O=C(CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1cccs1 ZINC000040122408 569489634 /nfs/dbraw/zinc/48/96/34/569489634.db2.gz NPEQMMBXFFMYHX-UHFFFAOYSA-N 0 0 425.337 4.002 50 0 IIAARN O=C(COCCOc1ccccc1)Nc1ccc(Br)cc1Br ZINC000040128595 569489775 /nfs/dbraw/zinc/48/97/75/569489775.db2.gz ITYGHDWJLRYQRF-UHFFFAOYSA-N 0 0 429.108 4.246 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(COc2ccccc2F)o1 ZINC000040129042 569489804 /nfs/dbraw/zinc/48/98/04/569489804.db2.gz TZJZYCYOWQYFRS-UHFFFAOYSA-N 0 0 429.400 4.054 50 0 IIAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)c2ccc(O)cc2O)cc1 ZINC000008954251 569490078 /nfs/dbraw/zinc/49/00/78/569490078.db2.gz CBTBJNBCIYFNTN-UHFFFAOYSA-N 0 0 432.501 4.139 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1OC ZINC000008959012 569490295 /nfs/dbraw/zinc/49/02/95/569490295.db2.gz UTUWZQZJRMIYGE-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000008959818 569490325 /nfs/dbraw/zinc/49/03/25/569490325.db2.gz KNLLXAKLKNGBOB-UHFFFAOYSA-N 0 0 426.513 4.120 50 0 IIAARN COc1ccc(NC(=O)Cn2c3ccccc3n(C3=CCCCC3)c2=O)cc1OC(F)F ZINC000040132591 569490412 /nfs/dbraw/zinc/49/04/12/569490412.db2.gz AMXWPFPBGKRJCL-UHFFFAOYSA-N 0 0 443.450 4.467 50 0 IIAARN Cc1oc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1S(=O)(=O)N1CCCC1 ZINC000040133316 569490471 /nfs/dbraw/zinc/49/04/71/569490471.db2.gz MLAFQOMCRCNJFW-UHFFFAOYSA-N 0 0 426.922 4.065 50 0 IIAARN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2nc(C)no2)cc1OC ZINC000040134303 569490521 /nfs/dbraw/zinc/49/05/21/569490521.db2.gz OONICXBMVPLQLA-AWEZNQCLSA-N 0 0 427.526 4.487 50 0 IIAARN Cc1cc(Br)cc(Cl)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000040135012 569490614 /nfs/dbraw/zinc/49/06/14/569490614.db2.gz JZYBHIRAXMMXBD-UHFFFAOYSA-N 0 0 443.750 4.339 50 0 IIAARN Cc1cc(-c2cc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000040135694 569490756 /nfs/dbraw/zinc/49/07/56/569490756.db2.gz NREGNDDKEJYUGX-CZUORRHYSA-N 0 0 439.585 4.084 50 0 IIAARN O=C(NC[C@H]1COc2ccccc2O1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000040138968 569490781 /nfs/dbraw/zinc/49/07/81/569490781.db2.gz RZQVJUMYBOZJPB-PZJWPPBQSA-N 0 0 446.482 4.056 50 0 IIAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000040139216 569490837 /nfs/dbraw/zinc/49/08/37/569490837.db2.gz TZLGUDNMWVXIRZ-CJNGLKHVSA-N 0 0 425.583 4.303 50 0 IIAARN Cc1oc2cc(OCC(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)c1-c1ccccc1 ZINC000008965876 569491577 /nfs/dbraw/zinc/49/15/77/569491577.db2.gz WZHUYBWOOALNAD-UHFFFAOYSA-N 0 0 443.455 4.192 50 0 IIAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cn2)c1 ZINC000040142274 569491834 /nfs/dbraw/zinc/49/18/34/569491834.db2.gz FGTAWHPQCRLRMA-OAQYLSRUSA-N 0 0 436.556 4.035 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1[nH]c2ccccc2c1Cl ZINC000040143051 569491880 /nfs/dbraw/zinc/49/18/80/569491880.db2.gz NIBCTMOAYSDSOK-UHFFFAOYSA-N 0 0 429.885 4.145 50 0 IIAARN CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000040144469 569492020 /nfs/dbraw/zinc/49/20/20/569492020.db2.gz ZQZSZUBWFYGKHE-UHFFFAOYSA-N 0 0 429.524 4.297 50 0 IIAARN COc1cc(CCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(OC)c1 ZINC000040145437 569492081 /nfs/dbraw/zinc/49/20/81/569492081.db2.gz NDKRVBVSJMDNEQ-UHFFFAOYSA-N 0 0 438.446 4.131 50 0 IIAARN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000040149285 569492472 /nfs/dbraw/zinc/49/24/72/569492472.db2.gz MMUAUOZALQEBDF-UHFFFAOYSA-N 0 0 429.450 4.382 50 0 IIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008979767 569493127 /nfs/dbraw/zinc/49/31/27/569493127.db2.gz RXXTUPIXXBABLG-HXUWFJFHSA-N 0 0 446.576 4.082 50 0 IIAARN C[C@@H]1Oc2ccccc2N(CC(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)C1=O ZINC000040155059 569493830 /nfs/dbraw/zinc/49/38/30/569493830.db2.gz AFQXBQCPJQUVIH-ZDUSSCGKSA-N 0 0 446.290 4.036 50 0 IIAARN CC(C)COc1cccc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 ZINC000040161914 569495171 /nfs/dbraw/zinc/49/51/71/569495171.db2.gz BDCLRJQIIIPRNW-FQEVSTJZSA-N 0 0 436.464 4.442 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000008995556 569495648 /nfs/dbraw/zinc/49/56/48/569495648.db2.gz BZWHKMFDGOSAIP-MAUKXSAKSA-N 0 0 438.789 4.158 50 0 biogenic IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cccc(F)c1 ZINC000008995819 569495695 /nfs/dbraw/zinc/49/56/95/569495695.db2.gz LKZDKPAGHHTDSF-GOSISDBHSA-N 0 0 425.489 4.075 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccnc1)NC(=O)c1ccccc1Cl ZINC000008997623 569495903 /nfs/dbraw/zinc/49/59/03/569495903.db2.gz RMLBYKLGDKRLRD-OEAKJJBVSA-N 0 0 444.922 4.346 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2F)c1 ZINC000040267676 569497458 /nfs/dbraw/zinc/49/74/58/569497458.db2.gz DYWHCJPVCPFURQ-HXUWFJFHSA-N 0 0 442.878 4.477 50 0 IIAARN Cc1ccc(Nc2nc([C@]3(C)C[C@]4(C[C@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000009046231 569498266 /nfs/dbraw/zinc/49/82/66/569498266.db2.gz XRULNHKVZLXAKX-VSDWSMLSSA-N 0 0 444.553 4.332 50 0 biogenic IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000009054282 569498905 /nfs/dbraw/zinc/49/89/05/569498905.db2.gz UQYQFMLNGUMVPI-AVRDEDQJSA-N 0 0 437.540 4.311 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1OC ZINC000009072164 569500192 /nfs/dbraw/zinc/50/01/92/569500192.db2.gz FZBVVPABZSKTRJ-INIZCTEOSA-N 0 0 437.521 4.471 50 0 IIAARN CCOc1ccc2cc([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000009075641 569500224 /nfs/dbraw/zinc/50/02/24/569500224.db2.gz SXHHJSDBLFBXGN-QGZVFWFLSA-N 0 0 435.958 4.459 50 0 IIAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000009077696 569500364 /nfs/dbraw/zinc/50/03/64/569500364.db2.gz OINFYAQTQRNGRG-VZCXRCSSSA-N 0 0 433.327 4.078 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000245237938 569500512 /nfs/dbraw/zinc/50/05/12/569500512.db2.gz LMXIIVVSGLLFEN-ZBLYBZFDSA-N 0 0 447.623 4.284 50 0 IIAARN C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccc2c(c1)OCO2 ZINC000009112216 569502400 /nfs/dbraw/zinc/50/24/00/569502400.db2.gz MFEPVIOOQIYNKD-JTQLQIEISA-N 0 0 438.793 4.202 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009114691 569502617 /nfs/dbraw/zinc/50/26/17/569502617.db2.gz MLNXTNOMXFITAC-SFHVURJKSA-N 0 0 437.521 4.354 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)c1 ZINC000009115674 569502793 /nfs/dbraw/zinc/50/27/93/569502793.db2.gz BLDUBNYXJLDMSF-PMERELPUSA-N 0 0 447.940 4.231 50 0 IIAARN CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)C(C)C ZINC000009118655 569503376 /nfs/dbraw/zinc/50/33/76/569503376.db2.gz QTHXGAWIMZDNAR-UHFFFAOYSA-N 0 0 430.545 4.400 50 0 IIAARN COc1ccc(-n2c(SC[C@@H]3COc4ccccc4O3)nnc2-c2ccncc2)cc1 ZINC000009118595 569503401 /nfs/dbraw/zinc/50/34/01/569503401.db2.gz VNEKXKMGBPBFQM-IBGZPJMESA-N 0 0 432.505 4.270 50 0 IIAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)Cc1cccc(F)c1 ZINC000245326168 569503639 /nfs/dbraw/zinc/50/36/39/569503639.db2.gz DOTGBZJPBVZHTF-PGRDOPGGSA-N 0 0 437.515 4.486 50 0 IIAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCC[C@H]1C ZINC000245328333 569503867 /nfs/dbraw/zinc/50/38/67/569503867.db2.gz NFIZNDZBYJLBLA-RBUKOAKNSA-N 0 0 443.613 4.323 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2nc3cccnc3s2)CC1 ZINC000069388177 569504180 /nfs/dbraw/zinc/50/41/80/569504180.db2.gz DIZISMPDNFXSMJ-UHFFFAOYSA-N 0 0 428.517 4.278 50 0 IIAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1CCO ZINC000009124654 569504366 /nfs/dbraw/zinc/50/43/66/569504366.db2.gz XORCUXPFDRQOOR-DEOSSOPVSA-N 0 0 427.460 4.112 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000245343336 569504492 /nfs/dbraw/zinc/50/44/92/569504492.db2.gz MAKXOYHQYOAWGZ-YAKVFXAGSA-N 0 0 449.016 4.171 50 0 IIAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)o1 ZINC000009124997 569504526 /nfs/dbraw/zinc/50/45/26/569504526.db2.gz VWMZCRYBQNCLPW-UHFFFAOYSA-N 0 0 430.416 4.327 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000009125454 569504648 /nfs/dbraw/zinc/50/46/48/569504648.db2.gz ITHZNASSYHDOEL-UHFFFAOYSA-N 0 0 425.916 4.153 50 0 IIAARN COc1ccc(C)cc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1 ZINC000009125877 569504782 /nfs/dbraw/zinc/50/47/82/569504782.db2.gz PZFUQUYPJVPBTO-UHFFFAOYSA-N 0 0 440.550 4.314 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)c1C ZINC000009126355 569504927 /nfs/dbraw/zinc/50/49/27/569504927.db2.gz GMYMESVVQLLMHR-LBPRGKRZSA-N 0 0 432.933 4.231 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1cccs1 ZINC000009126356 569504944 /nfs/dbraw/zinc/50/49/44/569504944.db2.gz MEFAPXNJLUNASX-INIZCTEOSA-N 0 0 435.578 4.419 50 0 IIAARN COc1cc(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc(OC)c1OC ZINC000009127371 569505186 /nfs/dbraw/zinc/50/51/86/569505186.db2.gz DYRVBRZMTFKRSE-INIZCTEOSA-N 0 0 442.537 4.077 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(Br)c1 ZINC000009127980 569505328 /nfs/dbraw/zinc/50/53/28/569505328.db2.gz CZPWJBZROJLYHV-UHFFFAOYSA-N 0 0 428.286 4.047 50 0 IIAARN O=C(Nc1cc(C(=O)NCc2ccccc2)c2[nH]c3ccccc3n2c1=O)c1cccs1 ZINC000009128777 569505522 /nfs/dbraw/zinc/50/55/22/569505522.db2.gz UQGXQKSQOCGJQB-UHFFFAOYSA-N 0 0 442.500 4.025 50 0 IIAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 ZINC000009129876 569505853 /nfs/dbraw/zinc/50/58/53/569505853.db2.gz UMUIAMPZRNLXAA-WCQYABFASA-N 0 0 446.381 4.042 50 0 IIAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1=O ZINC000040478545 569506781 /nfs/dbraw/zinc/50/67/81/569506781.db2.gz SWXPUMLGSPDQBA-UHFFFAOYSA-N 0 0 443.503 4.394 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)c(OC)c1 ZINC000009132276 569507011 /nfs/dbraw/zinc/50/70/11/569507011.db2.gz ONXVMFUOBADISP-MRXNPFEDSA-N 0 0 437.521 4.390 50 0 IIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000009135190 569507121 /nfs/dbraw/zinc/50/71/21/569507121.db2.gz BQVLZBKIPXLMBI-UHFFFAOYSA-N 0 0 433.530 4.201 50 0 IIAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O ZINC000009144576 569507300 /nfs/dbraw/zinc/50/73/00/569507300.db2.gz RBCTWDHCIPGJIU-DEDYPNTBSA-N 0 0 441.505 4.264 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC ZINC000009159058 569508589 /nfs/dbraw/zinc/50/85/89/569508589.db2.gz JTUCEIZTIKVYFE-JOCHJYFZSA-N 0 0 446.434 4.403 50 0 IIAARN CCN1c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2OCC(C)(C)C1=O ZINC000009166314 569508830 /nfs/dbraw/zinc/50/88/30/569508830.db2.gz ZQXGTJBUUTUEEU-UHFFFAOYSA-N 0 0 428.554 4.138 50 0 IIAARN CCCN1c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167926 569509060 /nfs/dbraw/zinc/50/90/60/569509060.db2.gz IDMMNCNULPDCKD-UHFFFAOYSA-N 0 0 436.961 4.444 50 0 IIAARN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1OC ZINC000009171003 569509351 /nfs/dbraw/zinc/50/93/51/569509351.db2.gz DWTRYHLHSXGYET-UHFFFAOYSA-N 0 0 425.539 4.314 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)ccc1F ZINC000009172764 569509529 /nfs/dbraw/zinc/50/95/29/569509529.db2.gz AOBKVCOHLPDULY-UHFFFAOYSA-N 0 0 434.533 4.343 50 0 IIAARN Cc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1C ZINC000009185392 569510152 /nfs/dbraw/zinc/51/01/52/569510152.db2.gz OENMCKNXMASDDS-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN Cc1nc(NC(=S)NC(=O)c2ccc(Br)cc2)ccc1Br ZINC000009192334 569510778 /nfs/dbraw/zinc/51/07/78/569510778.db2.gz HDPUCCOAALLNRR-UHFFFAOYSA-N 0 0 429.137 4.042 50 0 IIAARN COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009194026 569510903 /nfs/dbraw/zinc/51/09/03/569510903.db2.gz ZUIBSYGVNPPFGT-UHFFFAOYSA-N 0 0 427.526 4.269 50 0 IIAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009198038 569511057 /nfs/dbraw/zinc/51/10/57/569511057.db2.gz JCGZQFHBUJOHCY-MOPGFXCFSA-N 0 0 443.960 4.290 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009209717 569511547 /nfs/dbraw/zinc/51/15/47/569511547.db2.gz ZSKPXAODLBDAGG-GBXCKJPGSA-N 0 0 428.444 4.444 50 0 IIAARN CCOc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000009211698 569511804 /nfs/dbraw/zinc/51/18/04/569511804.db2.gz JDQYZACNEUNEPI-UHFFFAOYSA-N 0 0 432.499 4.482 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4ccccc4o3)o2)c1 ZINC000009223239 569512887 /nfs/dbraw/zinc/51/28/87/569512887.db2.gz XJMXKXQXTQRHGS-UHFFFAOYSA-N 0 0 444.538 4.201 50 0 IIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1Cl ZINC000009223385 569512932 /nfs/dbraw/zinc/51/29/32/569512932.db2.gz CQDLJCDSYVIWBJ-UHFFFAOYSA-N 0 0 427.913 4.080 50 0 IIAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1S(C)(=O)=O ZINC000009223415 569512951 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CCOc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1 ZINC000020768747 520839287 /nfs/dbraw/zinc/83/92/87/520839287.db2.gz PEWHOEKHTJNJLB-UHFFFAOYSA-N 0 0 445.475 4.054 50 0 IIAARN C=C1C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901163 520842700 /nfs/dbraw/zinc/84/27/00/520842700.db2.gz LMRQFXZIPNOMJI-UHFFFAOYSA-N 0 0 435.471 4.001 50 0 IIAARN CCOc1ccc(CCNC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000020993452 520949817 /nfs/dbraw/zinc/94/98/17/520949817.db2.gz AXORIZGPQALSKP-UHFFFAOYSA-N 0 0 447.560 4.341 50 0 IIAARN CCOC(=O)N1CCN(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC000012870888 520951603 /nfs/dbraw/zinc/95/16/03/520951603.db2.gz QIYWEYNBBJYYKM-UHFFFAOYSA-N 0 0 427.448 4.052 50 0 IIAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2cccs2)CC1 ZINC000021810987 520953709 /nfs/dbraw/zinc/95/37/09/520953709.db2.gz SZBUEWRQGSHRCO-NCOUDYQVSA-N 0 0 425.554 4.405 50 0 IIAARN CCOc1ccc(CNC(=O)c2ccc(CN3CCN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000021635667 520997190 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521184065 /nfs/dbraw/zinc/18/40/65/521184065.db2.gz KZBVEQQPLWPKPJ-QHCPKHFHSA-N 0 0 429.480 4.287 50 0 IIAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(=O)OC)cc1 ZINC000021889239 521250819 /nfs/dbraw/zinc/25/08/19/521250819.db2.gz GNPODSUXNWJJGP-XMMPIXPASA-N 0 0 433.508 4.054 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O ZINC000021644269 521253376 /nfs/dbraw/zinc/25/33/76/521253376.db2.gz VFIZKIHHBZCHIS-AUUYWEPGSA-N 0 0 438.528 4.022 50 0 IIAARN CCCCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 ZINC000016047555 521278361 /nfs/dbraw/zinc/27/83/61/521278361.db2.gz HNHADFRZMBRAAO-UHFFFAOYSA-N 0 0 429.524 4.180 50 0 IIAARN CCN(Cc1cccc(F)c1)C(=O)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000012878063 521347214 /nfs/dbraw/zinc/34/72/14/521347214.db2.gz YLYILLFGKGKURU-UHFFFAOYSA-N 0 0 433.405 4.117 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000012368330 521348300 /nfs/dbraw/zinc/34/83/00/521348300.db2.gz KBHCRQNZQKVUJZ-GOSISDBHSA-N 0 0 432.801 4.451 50 0 IIAARN CCOc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033141733 521358378 /nfs/dbraw/zinc/35/83/78/521358378.db2.gz QNOPMOFQNTWIAH-UHFFFAOYSA-N 0 0 444.578 4.210 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)c(C)n1CC ZINC000035992672 521386059 /nfs/dbraw/zinc/38/60/59/521386059.db2.gz DFMMLEIGWCLFEY-UHFFFAOYSA-N 0 0 430.932 4.442 50 0 IIAARN CCCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000035479554 521405982 /nfs/dbraw/zinc/40/59/82/521405982.db2.gz HYUUTMOQBSSHQG-UHFFFAOYSA-N 0 0 449.960 4.118 50 0 IIAARN CCCc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1 ZINC000035526924 521407185 /nfs/dbraw/zinc/40/71/85/521407185.db2.gz AZTQJWHNGBLZQN-DEOSSOPVSA-N 0 0 428.598 4.055 50 0 IIAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccccc1F ZINC000015680345 521412625 /nfs/dbraw/zinc/41/26/25/521412625.db2.gz UBVZALUBKFFWMH-UHFFFAOYSA-N 0 0 431.489 4.233 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCC2 ZINC000021786224 521418513 /nfs/dbraw/zinc/41/85/13/521418513.db2.gz HFQVAXNSHIVVNR-UHFFFAOYSA-N 0 0 440.477 4.092 50 0 IIAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1 ZINC000021726666 521424579 /nfs/dbraw/zinc/42/45/79/521424579.db2.gz JACRERLGLJYUTR-LJQANCHMSA-N 0 0 444.470 4.045 50 0 IIAARN CCOc1ccccc1-n1c2nc(-c3ccn(C)n3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602897 521446800 /nfs/dbraw/zinc/44/68/00/521446800.db2.gz DIEIAFBEMYXHLG-UHFFFAOYSA-N 0 0 429.452 4.180 50 0 IIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012935103 521456705 /nfs/dbraw/zinc/45/67/05/521456705.db2.gz AGJUYAXNKRQNOP-UHFFFAOYSA-N 0 0 449.514 4.438 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000020737608 521500610 /nfs/dbraw/zinc/50/06/10/521500610.db2.gz VVQTUPAGBNCVKY-HKBQPEDESA-N 0 0 440.521 4.023 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000035534281 521505017 /nfs/dbraw/zinc/50/50/17/521505017.db2.gz KGYXCYJOFNQKLM-UHFFFAOYSA-N 0 0 442.903 4.008 50 0 IIAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC[C@@H]1C)C(=O)c1ccccc1S2 ZINC000021939667 521530827 /nfs/dbraw/zinc/53/08/27/521530827.db2.gz AHKRTBUSPSLXMR-INIZCTEOSA-N 0 0 438.549 4.376 50 0 IIAARN CCOc1ccccc1NC(=O)N(C)CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000035479503 521536975 /nfs/dbraw/zinc/53/69/75/521536975.db2.gz NKHVTCIUZPNETN-UHFFFAOYSA-N 0 0 430.892 4.407 50 0 IIAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc3nsnc32)s1 ZINC000019077473 521555105 /nfs/dbraw/zinc/55/51/05/521555105.db2.gz CNJDQZZMHKBNIM-UHFFFAOYSA-N 0 0 444.567 4.416 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445773 521573207 /nfs/dbraw/zinc/57/32/07/521573207.db2.gz SYZZLRHPKLGDBF-UXHICEINSA-N 0 0 425.533 4.384 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445808 521573802 /nfs/dbraw/zinc/57/38/02/521573802.db2.gz OSMBXLRNZJCSFH-VQTJNVASSA-N 0 0 425.533 4.330 50 0 IIAARN CCOc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020463220 521606579 /nfs/dbraw/zinc/60/65/79/521606579.db2.gz WCPCVBJTLMYNKH-UHFFFAOYSA-N 0 0 446.598 4.048 50 0 IIAARN CCCn1c(-c2cccc(C(F)(F)F)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012539513 521613037 /nfs/dbraw/zinc/61/30/37/521613037.db2.gz UMWQRTCGXLZNSQ-UHFFFAOYSA-N 0 0 428.414 4.030 50 0 IIAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccccc3C)cc(=O)n21 ZINC000021797298 521663702 /nfs/dbraw/zinc/66/37/02/521663702.db2.gz IRCKWERNORBZGP-UHFFFAOYSA-N 0 0 433.537 4.154 50 0 IIAARN CCCN(Cn1nc(Nc2ccc(C)c(Cl)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012931643 521696911 /nfs/dbraw/zinc/69/69/11/521696911.db2.gz RVQHIBNZLKALNO-AWEZNQCLSA-N 0 0 447.051 4.236 50 0 IIAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccccc2C)cn3C2CC2)CC1 ZINC000035240887 521697566 /nfs/dbraw/zinc/69/75/66/521697566.db2.gz SLBRZHXHLQNKLQ-UHFFFAOYSA-N 0 0 448.542 4.178 50 0 IIAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)CC(C)C ZINC000035765939 521704954 /nfs/dbraw/zinc/70/49/54/521704954.db2.gz ADHJLFMUMXFPBQ-UHFFFAOYSA-N 0 0 428.573 4.418 50 0 IIAARN CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C(C)C)cc2)n1 ZINC000034906270 521742824 /nfs/dbraw/zinc/74/28/24/521742824.db2.gz MHDVAODLRRFWEC-RTBURBONSA-N 0 0 444.601 4.206 50 0 IIAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2cccc(F)c2)c(C)n1C ZINC000036017661 521753258 /nfs/dbraw/zinc/75/32/58/521753258.db2.gz HSKAGCGPPYRWKA-INIZCTEOSA-N 0 0 440.471 4.074 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1cnn3c1nc(C1CC1)cc3C(F)F)CCC2 ZINC000020615754 521785483 /nfs/dbraw/zinc/78/54/83/521785483.db2.gz ANIWHDBFZUMLBX-UHFFFAOYSA-N 0 0 432.452 4.133 50 0 IIAARN CCc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(C)cc3)no2)c1N ZINC000021774617 521883243 /nfs/dbraw/zinc/88/32/43/521883243.db2.gz UWIGZXLHNORGPH-UHFFFAOYSA-N 0 0 448.552 4.414 50 0 IIAARN COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)Cn1nc(C)cc1C)C2 ZINC000012282976 521898436 /nfs/dbraw/zinc/89/84/36/521898436.db2.gz GIYAVPGYOGYYFZ-UHFFFAOYSA-N 0 0 425.916 4.250 50 0 IIAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)NCCc1ccccc1 ZINC000021792556 521911194 /nfs/dbraw/zinc/91/11/94/521911194.db2.gz RZBVKEZDLAWTRW-UHFFFAOYSA-N 0 0 429.476 4.150 50 0 biogenic IIAARN CCc1ccccc1OCC(=O)Nc1ccccc1SCc1cc(=O)n2oc(C)cc2n1 ZINC000035429414 521920627 /nfs/dbraw/zinc/92/06/27/521920627.db2.gz HFQPXBGALDMLMX-UHFFFAOYSA-N 0 0 449.532 4.468 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(C)=O ZINC000035808237 521974879 /nfs/dbraw/zinc/97/48/79/521974879.db2.gz BAYNBVXDZRBNMI-MRXNPFEDSA-N 0 0 430.570 4.209 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000012917035 521985576 /nfs/dbraw/zinc/98/55/76/521985576.db2.gz PNEIBFAAKNTPQM-OAQYLSRUSA-N 0 0 426.563 4.409 50 0 IIAARN CC[C@@H](C)N(C(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)[C@@H](C)CC ZINC000012907016 522034546 /nfs/dbraw/zinc/03/45/46/522034546.db2.gz GKKOUMFAXUVVSM-GASCZTMLSA-N 0 0 449.477 4.027 50 0 IIAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCc1ccc(Cl)cc1 ZINC000012415111 522056959 /nfs/dbraw/zinc/05/69/59/522056959.db2.gz IRGCTGPTTPOAOZ-UHFFFAOYSA-N 0 0 445.972 4.127 50 0 IIAARN CC[C@H](C)n1cc(C(=O)N(C)CCc2ccccc2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012450952 522071535 /nfs/dbraw/zinc/07/15/35/522071535.db2.gz OGMXJORKSYFVRJ-FQEVSTJZSA-N 0 0 437.584 4.150 50 0 IIAARN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc(Cl)c1OC(C)C ZINC000022373860 522120151 /nfs/dbraw/zinc/12/01/51/522120151.db2.gz IJHJNNVFQUKYFS-QGZVFWFLSA-N 0 0 438.977 4.001 50 0 IIAARN COC(=O)c1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)c(OC)c1 ZINC000021316543 522141493 /nfs/dbraw/zinc/14/14/93/522141493.db2.gz SXLNXUWECXCMHQ-FQEVSTJZSA-N 0 0 433.460 4.028 50 0 IIAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2)no1 ZINC000035552839 522147182 /nfs/dbraw/zinc/14/71/82/522147182.db2.gz GXVOEIDTESEMAS-UHFFFAOYSA-N 0 0 441.329 4.024 50 0 IIAARN COc1cc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1OCc1c(C)noc1C ZINC000023634245 522170648 /nfs/dbraw/zinc/17/06/48/522170648.db2.gz ZNSIYWRYLWBYPE-HNNXBMFYSA-N 0 0 449.463 4.034 50 0 IIAARN CC[C@@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035371904 522175757 /nfs/dbraw/zinc/17/57/57/522175757.db2.gz SWEKHTVHFGHJCS-CQSZACIVSA-N 0 0 440.906 4.107 50 0 IIAARN CC[C@@H](C)NC(=O)c1cc(Br)c(C(=O)N[C@H](C)CC)cc1Br ZINC000012757749 522212771 /nfs/dbraw/zinc/21/27/71/522212771.db2.gz BXMGPKMUAVFOAE-NXEZZACHSA-N 0 0 434.172 4.268 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cc(Cl)ccc2F)c1 ZINC000020720715 522229861 /nfs/dbraw/zinc/22/98/61/522229861.db2.gz BZBVUUAZJSJQHK-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020939176 522281345 /nfs/dbraw/zinc/28/13/45/522281345.db2.gz RAMUWNXKSZZPIA-UHFFFAOYSA-N 0 0 448.504 4.265 50 0 IIAARN COc1cc(C=O)cc(Br)c1Oc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000012394226 522310245 /nfs/dbraw/zinc/31/02/45/522310245.db2.gz YUALNIKGFAENMI-UHFFFAOYSA-N 0 0 435.661 4.262 50 0 IIAARN COc1cc(CC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1OC ZINC000012910195 522318516 /nfs/dbraw/zinc/31/85/16/522318516.db2.gz LAXNMRDFZHYADZ-UHFFFAOYSA-N 0 0 438.505 4.441 50 0 IIAARN COc1cc(CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1OC(F)F ZINC000012784236 522347265 /nfs/dbraw/zinc/34/72/65/522347265.db2.gz RVFLXVWWYYYJQJ-UHFFFAOYSA-N 0 0 427.451 4.243 50 0 IIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000012812911 522425956 /nfs/dbraw/zinc/42/59/56/522425956.db2.gz BFPVQPWOJGSVKA-XCLFUZPHSA-N 0 0 427.419 4.423 50 0 IIAARN CC[C@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 ZINC000036048486 522435328 /nfs/dbraw/zinc/43/53/28/522435328.db2.gz LBBNJWNVAZKHAZ-URXFXBBRSA-N 0 0 443.563 4.429 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)c1cccs1 ZINC000035946712 522451423 /nfs/dbraw/zinc/45/14/23/522451423.db2.gz GWXLUWWVSUEAEJ-HXUWFJFHSA-N 0 0 439.487 4.476 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)c1ccccc1F ZINC000035948520 522451916 /nfs/dbraw/zinc/45/19/16/522451916.db2.gz JCKHAQYDHBKHFK-QGZVFWFLSA-N 0 0 427.526 4.399 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1N1CCCC1 ZINC000012534056 522518644 /nfs/dbraw/zinc/51/86/44/522518644.db2.gz SQQVIWQADFRYRC-UHFFFAOYSA-N 0 0 434.584 4.030 50 0 IIAARN CC[C@H](NC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCC2)c1=O)c1cccs1 ZINC000012217427 522549961 /nfs/dbraw/zinc/54/99/61/522549961.db2.gz OEVJONRYEJMPTI-FQEVSTJZSA-N 0 0 443.613 4.463 50 0 IIAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3C(C)=O)C2)cc(OC)c1 ZINC000012585915 522656063 /nfs/dbraw/zinc/65/60/63/522656063.db2.gz BYDKDVSTWBPWDI-GOSISDBHSA-N 0 0 438.524 4.178 50 0 IIAARN COc1cc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c(OC)cc1NC(=O)c1ccccc1 ZINC000012295172 522718128 /nfs/dbraw/zinc/71/81/28/522718128.db2.gz RMOTVAZJKHELJM-WNSKOXEYSA-N 0 0 448.475 4.123 50 0 IIAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2cc(C)no2)cc1OC ZINC000024418646 522727669 /nfs/dbraw/zinc/72/76/69/522727669.db2.gz UIFLRBGLXLMHKB-UHFFFAOYSA-N 0 0 430.844 4.263 50 0 IIAARN COc1cc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)cc(OC)c1 ZINC000033275260 522732333 /nfs/dbraw/zinc/73/23/33/522732333.db2.gz VYGDUSCILIIIGB-UHFFFAOYSA-N 0 0 433.468 4.117 50 0 IIAARN CCc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)o1 ZINC000011841072 522782845 /nfs/dbraw/zinc/78/28/45/522782845.db2.gz RLBYNJFSMLKMJL-QGZVFWFLSA-N 0 0 435.549 4.097 50 0 IIAARN COc1cc(OC)c(NC(=O)N2CCN(Cc3nc4cc(C)ccc4o3)CC2)cc1Cl ZINC000035534484 522805356 /nfs/dbraw/zinc/80/53/56/522805356.db2.gz KURLMXWCBCURFG-UHFFFAOYSA-N 0 0 444.919 4.157 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1Cl ZINC000035505127 522810075 /nfs/dbraw/zinc/81/00/75/522810075.db2.gz ARFMKYAAIAGVPR-GFCCVEGCSA-N 0 0 432.933 4.217 50 0 IIAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)c1 ZINC000020768898 522840794 /nfs/dbraw/zinc/84/07/94/522840794.db2.gz KECYSWGKJBCPCD-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN COc1cc(OC)cc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021856801 522860873 /nfs/dbraw/zinc/86/08/73/522860873.db2.gz MYQXLWWPNBMSMD-AREMUKBSSA-N 0 0 447.535 4.136 50 0 IIAARN COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000012552159 522871117 /nfs/dbraw/zinc/87/11/17/522871117.db2.gz KVRDWZQJCSXBMC-SFHVURJKSA-N 0 0 432.929 4.240 50 0 IIAARN COc1cc(OC)cc([C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000012550926 522874821 /nfs/dbraw/zinc/87/48/21/522874821.db2.gz NJWFGAQTCUFURE-HXUWFJFHSA-N 0 0 434.323 4.192 50 0 IIAARN COc1cc(OC)cc([C@H](CC(=O)NCc2ccncc2)c2cn(C)c3ccccc23)c1 ZINC000035371664 522880657 /nfs/dbraw/zinc/88/06/57/522880657.db2.gz ORFUXWBGDXUFIS-QHCPKHFHSA-N 0 0 429.520 4.429 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3nc(C)c(Cl)c3C)cc1)CC2 ZINC000014790203 523030476 /nfs/dbraw/zinc/03/04/76/523030476.db2.gz VQDUHQJMDYCDKQ-UHFFFAOYSA-N 0 0 425.916 4.358 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036041015 523036206 /nfs/dbraw/zinc/03/62/06/523036206.db2.gz MCGIBVPYMKZJPB-XMMPIXPASA-N 0 0 448.538 4.301 50 0 IIAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012324283 523072068 /nfs/dbraw/zinc/07/20/68/523072068.db2.gz OJQUTNYTBRJFEG-UHFFFAOYSA-N 0 0 440.927 4.045 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)N1CCc2ccccc21 ZINC000021935938 523077456 /nfs/dbraw/zinc/07/74/56/523077456.db2.gz UYQIPRHOBQWYAX-RTWAWAEBSA-N 0 0 446.576 4.402 50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1OC ZINC000023119001 523103699 /nfs/dbraw/zinc/10/36/99/523103699.db2.gz YYAUMSNBJIKSCJ-UHFFFAOYSA-N 0 0 434.521 4.151 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000021112779 523107427 /nfs/dbraw/zinc/10/74/27/523107427.db2.gz OBAZVYWDVCKEGD-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN COc1ccc(-c2cc(N[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)ccc2OC)cc1 ZINC000012557758 523113351 /nfs/dbraw/zinc/11/33/51/523113351.db2.gz YXLAYHQBVMZCNM-MRXNPFEDSA-N 0 0 434.492 4.216 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N(C)Cc4ccccc4C)c(=O)c3s2)cc1 ZINC000012899356 523124674 /nfs/dbraw/zinc/12/46/74/523124674.db2.gz OKBWDMUIOBJFPN-UHFFFAOYSA-N 0 0 433.533 4.101 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@H](C)c4ccccc4OC)c(=O)c3s2)cc1 ZINC000012789261 523125132 /nfs/dbraw/zinc/12/51/32/523125132.db2.gz YMNZOBDBSMUKIC-OAHLLOKOSA-N 0 0 449.532 4.020 50 0 IIAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)c4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000012226410 523128725 /nfs/dbraw/zinc/12/87/25/523128725.db2.gz JIKNVAWHZNBWDF-GOSISDBHSA-N 0 0 433.460 4.419 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccccc2Cl)cc1OC ZINC000035685300 523154001 /nfs/dbraw/zinc/15/40/01/523154001.db2.gz LYWQXHHOTXPVAD-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN CCn1c(SCC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)nnc1C1CC1 ZINC000012749221 523219824 /nfs/dbraw/zinc/21/98/24/523219824.db2.gz VZILBRNLBWMOSZ-JOCHJYFZSA-N 0 0 447.004 4.418 50 0 IIAARN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843565 523237886 /nfs/dbraw/zinc/23/78/86/523237886.db2.gz QFHCNQKDDMRLDX-HSZRJFAPSA-N 0 0 449.016 4.461 50 0 IIAARN CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723324 523240261 /nfs/dbraw/zinc/24/02/61/523240261.db2.gz LWOWPOOZGONORU-UHFFFAOYSA-N 0 0 435.509 4.469 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000012784427 523241360 /nfs/dbraw/zinc/24/13/60/523241360.db2.gz HKHSPHVOTUSEQE-QFIPXVFZSA-N 0 0 430.508 4.174 50 0 IIAARN CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015990639 523251422 /nfs/dbraw/zinc/25/14/22/523251422.db2.gz JEELFWODDVUDFB-UHFFFAOYSA-N 0 0 438.952 4.316 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)COc3cccc(C)c3C)C(C)C)n2)cc1OC ZINC000012654562 523284258 /nfs/dbraw/zinc/28/42/58/523284258.db2.gz CKYCGSSCKXGEBU-UHFFFAOYSA-N 0 0 439.512 4.187 50 0 IIAARN COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)n2c3ccccc3nc21 ZINC000023411230 523292594 /nfs/dbraw/zinc/29/25/94/523292594.db2.gz YPWITLFWXZMBDH-SFHVURJKSA-N 0 0 447.322 4.296 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4cc(Cl)ccc4OC)C3)n2)cc1 ZINC000020530649 523299512 /nfs/dbraw/zinc/29/95/12/523299512.db2.gz XNCHPVHFRIFAKO-HNNXBMFYSA-N 0 0 442.903 4.262 50 0 IIAARN CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000012516600 523375072 /nfs/dbraw/zinc/37/50/72/523375072.db2.gz GRBUXBWBSHEBPY-BQYQJAHWSA-N 0 0 442.943 4.010 50 0 IIAARN CCn1cc(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)c(C)n1 ZINC000017095844 523381391 /nfs/dbraw/zinc/38/13/91/523381391.db2.gz NUXVMOVCHAVXSQ-UHFFFAOYSA-N 0 0 428.492 4.128 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000003000229 523383791 /nfs/dbraw/zinc/38/37/91/523383791.db2.gz ZWSZFDQJRBWEIM-KQWNVCNZSA-N 0 0 432.476 4.122 50 0 IIAARN COc1ccc(/C=C\C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000033470593 523432392 /nfs/dbraw/zinc/43/23/92/523432392.db2.gz YGKNXKWGVGSFEQ-BENRWUELSA-N 0 0 446.594 4.244 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000012908796 523494031 /nfs/dbraw/zinc/49/40/31/523494031.db2.gz DEFXSZQFELNRPX-UHFFFAOYSA-N 0 0 445.361 4.017 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)cc1 ZINC000012391705 523499423 /nfs/dbraw/zinc/49/94/23/523499423.db2.gz IWOCUWNBPNYPBA-UHFFFAOYSA-N 0 0 444.528 4.366 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000021418361 523521861 /nfs/dbraw/zinc/52/18/61/523521861.db2.gz FGJXWTMVQLQRTF-UHFFFAOYSA-N 0 0 436.462 4.456 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000012567635 523568559 /nfs/dbraw/zinc/56/85/59/523568559.db2.gz FBERGSLVDMTGNN-UHFFFAOYSA-N 0 0 436.566 4.035 50 0 IIAARN COc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1Br ZINC000012783801 523601642 /nfs/dbraw/zinc/60/16/42/523601642.db2.gz SKDPNSKSGAEQDX-UHFFFAOYSA-N 0 0 443.135 4.371 50 0 IIAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1ccc(C)cc1 ZINC000016650303 523644978 /nfs/dbraw/zinc/64/49/78/523644978.db2.gz LHADZNYOOGNHIS-UHFFFAOYSA-N 0 0 434.536 4.214 50 0 IIAARN COc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccc(Br)c3)o2)cc1 ZINC000015868151 523711904 /nfs/dbraw/zinc/71/19/04/523711904.db2.gz FQCAPYQMGFOTDH-UHFFFAOYSA-N 0 0 429.270 4.233 50 0 IIAARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020614239 523726090 /nfs/dbraw/zinc/72/60/90/523726090.db2.gz BOMGNEGQWHWWNA-UHFFFAOYSA-N 0 0 448.386 4.099 50 0 IIAARN CCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)sc1C ZINC000012880675 523758165 /nfs/dbraw/zinc/75/81/65/523758165.db2.gz LLUFOAREQGTHFU-UHFFFAOYSA-N 0 0 447.409 4.072 50 0 IIAARN CC[C@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563814 523774419 /nfs/dbraw/zinc/77/44/19/523774419.db2.gz VYPDZGDZVCJMQC-JOCHJYFZSA-N 0 0 447.583 4.465 50 0 IIAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCc3ccncc3)c2)n1 ZINC000036028450 523793388 /nfs/dbraw/zinc/79/33/88/523793388.db2.gz CRBLJSIKPWYARS-UHFFFAOYSA-N 0 0 433.581 4.257 50 0 IIAARN CC[C@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2)c1ccccc1 ZINC000023139512 523797209 /nfs/dbraw/zinc/79/72/09/523797209.db2.gz MNGHBGMACVNGJZ-IBGZPJMESA-N 0 0 434.565 4.079 50 0 IIAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3C)nc21 ZINC000020743919 523797849 /nfs/dbraw/zinc/79/78/49/523797849.db2.gz AUVOTCNFPBKOIO-UHFFFAOYSA-N 0 0 439.581 4.209 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)C12CCCCC2 ZINC000020715537 523809721 /nfs/dbraw/zinc/80/97/21/523809721.db2.gz UGRBJFGYIBXUIS-QHCPKHFHSA-N 0 0 434.536 4.417 50 0 IIAARN CN(C(=O)COC(=O)c1cccnc1Cl)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000021577738 523832059 /nfs/dbraw/zinc/83/20/59/523832059.db2.gz JCBDHTNCHWWIQE-NRFANRHFSA-N 0 0 435.307 4.042 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(OC)c3)C(=O)Cc3ccccc3)C2)cc1 ZINC000035835794 523881153 /nfs/dbraw/zinc/88/11/53/523881153.db2.gz KHPKVZWFUJBGSW-VWLOTQADSA-N 0 0 444.531 4.468 50 0 IIAARN CN(C(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)c1ccccc1 ZINC000020575298 523896303 /nfs/dbraw/zinc/89/63/03/523896303.db2.gz CULOWVMOTVNJLF-QGZVFWFLSA-N 0 0 431.471 4.303 50 0 IIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3F)c3nc(C)ccc3c2=O)cc1 ZINC000021151476 523899106 /nfs/dbraw/zinc/89/91/06/523899106.db2.gz LLHGSRBSROYXIN-UHFFFAOYSA-N 0 0 443.478 4.276 50 0 IIAARN CN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)C1CCCCC1 ZINC000020575242 523908507 /nfs/dbraw/zinc/90/85/07/523908507.db2.gz XVWHGRMBPJDZNX-KRWDZBQOSA-N 0 0 437.519 4.431 50 0 IIAARN CCc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012438537 523916972 /nfs/dbraw/zinc/91/69/72/523916972.db2.gz RUIDXYXFYJUNNR-LMMKCTJWSA-N 0 0 444.424 4.356 50 0 IIAARN COCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355206 523923547 /nfs/dbraw/zinc/92/35/47/523923547.db2.gz XIYLELDVWCQYQZ-KOEQRZSOSA-N 0 0 442.515 4.338 50 0 IIAARN CC[C@H](C)N(CC(=O)Nc1nc(C)c(C)s1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016614087 523928508 /nfs/dbraw/zinc/92/85/08/523928508.db2.gz WBSCJJHTMWWQJK-AWEZNQCLSA-N 0 0 431.583 4.341 50 0 IIAARN CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862619 523964067 /nfs/dbraw/zinc/96/40/67/523964067.db2.gz CGUPTSGEUOAFHO-HHHXNRCGSA-N 0 0 444.579 4.479 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)cc(C)n2Cc2c(F)cccc2F)cc1OC ZINC000035836952 523968194 /nfs/dbraw/zinc/96/81/94/523968194.db2.gz ORTPCVORHIONSL-UHFFFAOYSA-N 0 0 428.479 4.421 50 0 IIAARN COc1ccc(CCNC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000021923112 523972661 /nfs/dbraw/zinc/97/26/61/523972661.db2.gz WLTZYSZGZPWWFX-UHFFFAOYSA-N 0 0 440.425 4.396 50 0 biogenic IIAARN COc1ccc(CCNC(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2N)cc1OC ZINC000012415451 523972910 /nfs/dbraw/zinc/97/29/10/523972910.db2.gz BAYSNCACOODULK-UHFFFAOYSA-N 0 0 449.985 4.494 50 0 IIAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000020579582 523977052 /nfs/dbraw/zinc/97/70/52/523977052.db2.gz DREDGXNWDVESFH-UHFFFAOYSA-N 0 0 439.515 4.445 50 0 IIAARN COc1ccc(CCc2nnc(CCC(=O)N(C)Cc3ccnc4ccccc34)o2)cc1 ZINC000012297161 523984468 /nfs/dbraw/zinc/98/44/68/523984468.db2.gz HVMUFQLVZXSVPS-UHFFFAOYSA-N 0 0 430.508 4.003 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2C)cc1OS(C)(=O)=O ZINC000035776905 524015707 /nfs/dbraw/zinc/01/57/07/524015707.db2.gz KIAVSARENVYFHQ-UHFFFAOYSA-N 0 0 444.509 4.169 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858471 524020986 /nfs/dbraw/zinc/02/09/86/524020986.db2.gz IFDNRSJPHLOYAQ-SANMLTNESA-N 0 0 433.552 4.227 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1C ZINC000036000865 524021849 /nfs/dbraw/zinc/02/18/49/524021849.db2.gz ZPHPMYIDLJLIFQ-UHFFFAOYSA-N 0 0 440.446 4.222 50 0 IIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)CC(C)C)cc1 ZINC000036043002 524038845 /nfs/dbraw/zinc/03/88/45/524038845.db2.gz CUJYVRDUFVZBQG-DWXRJYCRSA-N 0 0 440.584 4.363 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000015588627 524043311 /nfs/dbraw/zinc/04/33/11/524043311.db2.gz QAALNZUWMMQEKM-UHFFFAOYSA-N 0 0 436.430 4.039 50 0 IIAARN CCc1cccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nnc2N2CCOCC2)c1 ZINC000012825349 524061833 /nfs/dbraw/zinc/06/18/33/524061833.db2.gz FNEOKEUICQCQLI-HNNXBMFYSA-N 0 0 428.562 4.026 50 0 IIAARN COc1ccc(CNC(=O)[C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000012756381 524062184 /nfs/dbraw/zinc/06/21/84/524062184.db2.gz HAZRGKGUKUNVCT-MRXNPFEDSA-N 0 0 439.581 4.198 50 0 IIAARN CCc1cccc(NC(=O)/C=C\c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000033470213 524071798 /nfs/dbraw/zinc/07/17/98/524071798.db2.gz WIMIHJTWAADNSR-QBFSEMIESA-N 0 0 428.554 4.084 50 0 IIAARN Cc1cccc(-c2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)c1 ZINC000021944851 524105830 /nfs/dbraw/zinc/10/58/30/524105830.db2.gz RPFJKWPNKQSUJY-UHFFFAOYSA-N 0 0 436.471 4.082 50 0 IIAARN Cc1cc(C(=O)NCc2ccccc2Cl)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272040 524109433 /nfs/dbraw/zinc/10/94/33/524109433.db2.gz DYCGTCSEWGDREA-UHFFFAOYSA-N 0 0 426.925 4.384 50 0 IIAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccccc4F)n3)o2)c1 ZINC000021721664 524127456 /nfs/dbraw/zinc/12/74/56/524127456.db2.gz RLHPHKQEFJDKMR-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN Cc1cccc(-n2c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012528441 524140031 /nfs/dbraw/zinc/14/00/31/524140031.db2.gz QRUGEEWDNOZFGM-IBGZPJMESA-N 0 0 448.552 4.036 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000032949242 524140548 /nfs/dbraw/zinc/14/05/48/524140548.db2.gz YRXYDUOPMZLEKC-FQEVSTJZSA-N 0 0 449.503 4.025 50 0 biogenic IIAARN Cc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)c1 ZINC000033273506 524161861 /nfs/dbraw/zinc/16/18/61/524161861.db2.gz UVGFKJMHQIOMSM-UHFFFAOYSA-N 0 0 434.540 4.136 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1OC ZINC000009450591 524190147 /nfs/dbraw/zinc/19/01/47/524190147.db2.gz SRESKURJBMVPGY-FQEVSTJZSA-N 0 0 432.407 4.094 50 0 IIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccncc3)CC(C)C)no2)c(C)c1 ZINC000036015842 524209268 /nfs/dbraw/zinc/20/92/68/524209268.db2.gz IQUAJHZXOSEJIX-UHFFFAOYSA-N 0 0 448.567 4.467 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)[C@H](c3ccco3)C2)cc1 ZINC000012532732 524232563 /nfs/dbraw/zinc/23/25/63/524232563.db2.gz OJZMXUFSQYIEOJ-JXFKEZNVSA-N 0 0 435.307 4.393 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(I)cc3)n2)C1 ZINC000012793512 524237767 /nfs/dbraw/zinc/23/77/67/524237767.db2.gz WIDIBSDSLVFGLI-GFCCVEGCSA-N 0 0 441.338 4.232 50 0 IIAARN COc1ccc(Cl)cc1[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(F)(F)F ZINC000012925719 524254604 /nfs/dbraw/zinc/25/46/04/524254604.db2.gz LKXSYXBGPPBLJG-SFHVURJKSA-N 0 0 440.805 4.295 50 0 IIAARN Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(=O)[C@H](c1ccccc1)N1CCOCC1 ZINC000020506480 524265008 /nfs/dbraw/zinc/26/50/08/524265008.db2.gz MAHHRESFVZEMEC-MHZLTWQESA-N 0 0 442.559 4.479 50 0 IIAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(F)cc1C)c(C)n2C ZINC000035448413 524270294 /nfs/dbraw/zinc/27/02/94/524270294.db2.gz MJISNCUUNXUZSV-UHFFFAOYSA-N 0 0 448.498 4.036 50 0 IIAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nnc(-c3ccco3)o2)no1 ZINC000021355597 524270369 /nfs/dbraw/zinc/27/03/69/524270369.db2.gz PZQUHJWKCIOHST-UHFFFAOYSA-N 0 0 425.470 4.193 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c(C)o1 ZINC000012415506 524281895 /nfs/dbraw/zinc/28/18/95/524281895.db2.gz GIRFLVQKFSGLQZ-UHFFFAOYSA-N 0 0 431.496 4.476 50 0 IIAARN Cc1cc(C)c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(Cl)c1 ZINC000012607487 524285408 /nfs/dbraw/zinc/28/54/08/524285408.db2.gz GCLJIYANVLRNKQ-NRFANRHFSA-N 0 0 441.959 4.175 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c(C)c1 ZINC000016650379 524292550 /nfs/dbraw/zinc/29/25/50/524292550.db2.gz HANOOJUJMSGOMU-UHFFFAOYSA-N 0 0 446.551 4.377 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3C)CC2)c(C)c1 ZINC000012872364 524315688 /nfs/dbraw/zinc/31/56/88/524315688.db2.gz FKTBRNAFFCAGIZ-GOSISDBHSA-N 0 0 446.638 4.220 50 0 IIAARN COc1ccccc1/C=C\[C@@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2S[C@@H](C)C(=O)N21 ZINC000034387631 524324081 /nfs/dbraw/zinc/32/40/81/524324081.db2.gz RAGHRWBEIDMDBK-MMEMQRNESA-N 0 0 448.544 4.428 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)NC2CCCCC2)CCS3)c1 ZINC000012140563 524356878 /nfs/dbraw/zinc/35/68/78/524356878.db2.gz OVWYSACQGQREPF-UHFFFAOYSA-N 0 0 429.611 4.039 50 0 IIAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011914827 524358309 /nfs/dbraw/zinc/35/83/09/524358309.db2.gz SVRBGKBUOJCXRA-IBGZPJMESA-N 0 0 444.940 4.133 50 0 IIAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000021896769 524367299 /nfs/dbraw/zinc/36/72/99/524367299.db2.gz WKHNABBHBQIOIL-UHFFFAOYSA-N 0 0 444.597 4.023 50 0 IIAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000017102822 524372960 /nfs/dbraw/zinc/37/29/60/524372960.db2.gz UAFIWCHHJCXTDD-OAQYLSRUSA-N 0 0 438.915 4.342 50 0 IIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000035910912 524390396 /nfs/dbraw/zinc/39/03/96/524390396.db2.gz ORJUBRYGCNDMPN-XMMPIXPASA-N 0 0 434.517 4.491 50 0 IIAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000021856787 524398296 /nfs/dbraw/zinc/39/82/96/524398296.db2.gz UEGGNTTZNDJXDR-SANMLTNESA-N 0 0 447.535 4.136 50 0 IIAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1OC ZINC000021856751 524398699 /nfs/dbraw/zinc/39/86/99/524398699.db2.gz JCUCLULXTASIBV-AREMUKBSSA-N 0 0 447.535 4.136 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@H](C)C1=O ZINC000035884796 524410847 /nfs/dbraw/zinc/41/08/47/524410847.db2.gz LEGGDQIZWJRSIR-QGZVFWFLSA-N 0 0 448.494 4.439 50 0 IIAARN COc1ccccc1CN1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@H](C)C1=O ZINC000035885052 524458556 /nfs/dbraw/zinc/45/85/56/524458556.db2.gz KOTLXKAPKSHOEG-MRXNPFEDSA-N 0 0 434.467 4.396 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469774 524484147 /nfs/dbraw/zinc/48/41/47/524484147.db2.gz SGNWCUTZCOMSND-OAHLLOKOSA-N 0 0 434.993 4.491 50 0 IIAARN COc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c32)cc1 ZINC000012795989 524490773 /nfs/dbraw/zinc/49/07/73/524490773.db2.gz WTHFHLRDZNFDOV-UHFFFAOYSA-N 0 0 433.537 4.454 50 0 IIAARN Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000035531234 524494516 /nfs/dbraw/zinc/49/45/16/524494516.db2.gz DFGLJIZODUTBPC-UHFFFAOYSA-N 0 0 428.598 4.027 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1 ZINC000035533283 524512952 /nfs/dbraw/zinc/51/29/52/524512952.db2.gz QRTGYYABCGJYQN-UHFFFAOYSA-N 0 0 429.571 4.062 50 0 IIAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)c(OC)c1 ZINC000012887901 524523114 /nfs/dbraw/zinc/52/31/14/524523114.db2.gz AHMSDNAYGXIDND-UHFFFAOYSA-N 0 0 437.492 4.403 50 0 biogenic IIAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000012823959 524530948 /nfs/dbraw/zinc/53/09/48/524530948.db2.gz HXYFAGFVHOGHRF-KRWDZBQOSA-N 0 0 425.456 4.292 50 0 IIAARN COc1ccccc1N1CCN(c2cc(C)nc3nc(Cc4ccc(Cl)cc4)nn32)CC1 ZINC000021173982 524562048 /nfs/dbraw/zinc/56/20/48/524562048.db2.gz HPMCBGXOTNXCGU-UHFFFAOYSA-N 0 0 448.958 4.012 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000020367327 524563794 /nfs/dbraw/zinc/56/37/94/524563794.db2.gz XNPSXXGRZNGUCE-IBGZPJMESA-N 0 0 445.494 4.056 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c(OC)c1 ZINC000035597387 524578937 /nfs/dbraw/zinc/57/89/37/524578937.db2.gz YFBQITLYBDJQDK-UHFFFAOYSA-N 0 0 431.456 4.067 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC ZINC000012804531 524584559 /nfs/dbraw/zinc/58/45/59/524584559.db2.gz YUTGRNJHQHUVCX-MRXNPFEDSA-N 0 0 436.512 4.095 50 0 IIAARN C[C@H]1CN(CCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000012152534 524587283 /nfs/dbraw/zinc/58/72/83/524587283.db2.gz WTQODOYCKGEZHN-DJJJIMSYSA-N 0 0 427.854 4.128 50 0 IIAARN COc1ccccc1NC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000020866796 524588469 /nfs/dbraw/zinc/58/84/69/524588469.db2.gz POEAZOKCUKVOEL-UHFFFAOYSA-N 0 0 430.508 4.232 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1OC ZINC000020745334 524590987 /nfs/dbraw/zinc/59/09/87/524590987.db2.gz WQOFMKCYEFIFDX-INIZCTEOSA-N 0 0 426.860 4.392 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)c1C ZINC000033284466 524604654 /nfs/dbraw/zinc/60/46/54/524604654.db2.gz UQILZLGZQUDTKM-UHFFFAOYSA-N 0 0 449.511 4.468 50 0 IIAARN C[C@@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012737686 524658459 /nfs/dbraw/zinc/65/84/59/524658459.db2.gz STKVPDAIWUWIIZ-KRWDZBQOSA-N 0 0 426.513 4.089 50 0 IIAARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)C1CCCC1 ZINC000034706578 524675787 /nfs/dbraw/zinc/67/57/87/524675787.db2.gz IJLGUZMUTXYHLW-INIZCTEOSA-N 0 0 446.580 4.233 50 0 IIAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4ccccc4)C3)CCC(=O)N2)cc1 ZINC000014980214 524687814 /nfs/dbraw/zinc/68/78/14/524687814.db2.gz OMLOJMWEKBAPSP-YIXXDRMTSA-N 0 0 432.564 4.088 50 0 IIAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@H](OCc4ccccc4)C3)CCC(=O)N2)cc1 ZINC000015008473 524687843 /nfs/dbraw/zinc/68/78/43/524687843.db2.gz BNMCJNZLKHHSDW-RPLLCQBOSA-N 0 0 434.580 4.174 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3cccs3)c2)cc1 ZINC000012535938 524689549 /nfs/dbraw/zinc/68/95/49/524689549.db2.gz JIGSVIZTKZBUCE-UHFFFAOYSA-N 0 0 430.551 4.138 50 0 IIAARN C[C@@H](CNC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000021602683 524703794 /nfs/dbraw/zinc/70/37/94/524703794.db2.gz ZKKZXDGNJIORBF-HOTGVXAUSA-N 0 0 435.528 4.355 50 0 IIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)o3)cc2C1 ZINC000012614098 524731938 /nfs/dbraw/zinc/73/19/38/524731938.db2.gz OYZBPFANTCWUQO-LLVKDONJSA-N 0 0 429.523 4.382 50 0 IIAARN COc1ccccc1[C@@H]1CN(CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097971 524763008 /nfs/dbraw/zinc/76/30/08/524763008.db2.gz DCOLTAXVSPBQIU-DEOSSOPVSA-N 0 0 435.524 4.172 50 0 IIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nc2ccccc2n1 ZINC000012573148 524765178 /nfs/dbraw/zinc/76/51/78/524765178.db2.gz WISZJAYBDQCOAB-AREMUKBSSA-N 0 0 437.503 4.096 50 0 IIAARN Cc1ccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2ccc(C)cc2)cc1 ZINC000034692938 524774067 /nfs/dbraw/zinc/77/40/67/524774067.db2.gz LBMLCUXAWMXMMO-UHFFFAOYSA-N 0 0 436.515 4.062 50 0 IIAARN Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4)nc23)c1C ZINC000035425203 524787952 /nfs/dbraw/zinc/78/79/52/524787952.db2.gz WCUOPVNMMOPBID-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN COc1ccc(OC)c(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)c1 ZINC000012566033 524802561 /nfs/dbraw/zinc/80/25/61/524802561.db2.gz GDGCOXVQESSBSU-LCUIJRPUSA-N 0 0 431.448 4.338 50 0 IIAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051620 524816034 /nfs/dbraw/zinc/81/60/34/524816034.db2.gz JNYFELIATXWQEV-DNQXCXABSA-N 0 0 428.532 4.176 50 0 IIAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CC(C(c3ccccc3)c3ccccc3)=NO2)c1 ZINC000012281064 524833388 /nfs/dbraw/zinc/83/33/88/524833388.db2.gz FHJJKSQCMLEQNX-DEOSSOPVSA-N 0 0 430.504 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Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NCCC(C)C)cc2)s1 ZINC000033028026 525317429 /nfs/dbraw/zinc/31/74/29/525317429.db2.gz CZQOTNMBXRTUFI-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3n[nH]c4c3CCc3ccccc3-4)s2)cc1 ZINC000021943493 525324316 /nfs/dbraw/zinc/32/43/16/525324316.db2.gz XBBAIJYENLNHBR-UHFFFAOYSA-N 0 0 444.520 4.035 50 0 IIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000013130437 525326613 /nfs/dbraw/zinc/32/66/13/525326613.db2.gz BPSUOTFMOPDYQM-MRXNPFEDSA-N 0 0 428.941 4.310 50 0 IIAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000012530256 525331519 /nfs/dbraw/zinc/33/15/19/525331519.db2.gz NZORHLKFCYPLOT-RUZDIDTESA-N 0 0 447.922 4.013 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccccc1Cl ZINC000012770252 525335079 /nfs/dbraw/zinc/33/50/79/525335079.db2.gz FUFGSDWNBSYXDF-CQSZACIVSA-N 0 0 431.945 4.312 50 0 IIAARN C[C@]12C(=O)N(c3ccccc3C(=O)NC3CCCC3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012863344 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COc1ccc([C@@H]2N=C(Nc3ccc(C(C)C)cc3)Nc3nc(C)cc(=O)n32)c(OC)c1 ZINC000009484048 556294535 /nfs/dbraw/zinc/29/45/35/556294535.db2.gz RJRRNCVOXHYHGN-JOCHJYFZSA-N 0 0 433.512 4.133 50 0 IIAARN O=c1n2nc(-c3ccncc3)nc2c2c3c(sc2n1CCc1ccccc1)CCCC3 ZINC000013729947 556294777 /nfs/dbraw/zinc/29/47/77/556294777.db2.gz FORJIULZFXGFCN-UHFFFAOYSA-N 0 0 427.533 4.289 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccc(F)cc3)[C@@H]2C1 ZINC000013733648 556296756 /nfs/dbraw/zinc/29/67/56/556296756.db2.gz WTUGLWQXVRJYLY-DLBZAZTESA-N 0 0 445.368 4.408 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1 ZINC000013736568 556297848 /nfs/dbraw/zinc/29/78/48/556297848.db2.gz UETABGRYRQCOBP-UHFFFAOYSA-N 0 0 426.538 4.145 50 0 IIAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000013748397 556298400 /nfs/dbraw/zinc/29/84/00/556298400.db2.gz GUOVBHLIYDBTDN-INIZCTEOSA-N 0 0 442.364 4.222 50 0 IIAARN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3cc(C)ccc3n2)cc1 ZINC000009581398 556300491 /nfs/dbraw/zinc/30/04/91/556300491.db2.gz NLEHHIQKZVFKOK-UHFFFAOYSA-N 0 0 431.448 4.311 50 0 IIAARN CCOc1ccc2nc(N3C[C@@H](C(=O)OCc4ccccc4Cl)CC3=O)sc2c1 ZINC000009591735 556301456 /nfs/dbraw/zinc/30/14/56/556301456.db2.gz WGSLNUCODZSELU-AWEZNQCLSA-N 0 0 430.913 4.445 50 0 IIAARN CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccc(C)cc4)C3)sc2c1 ZINC000009593120 556301497 /nfs/dbraw/zinc/30/14/97/556301497.db2.gz ZSWQOQYHFNLMMH-UHFFFAOYSA-N 0 0 441.578 4.038 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](CCSc2nnc3ccccn32)c2ccccc2)cc1 ZINC000032741601 556303155 /nfs/dbraw/zinc/30/31/55/556303155.db2.gz AZJLRRADTATFFK-HXUWFJFHSA-N 0 0 438.578 4.240 50 0 IIAARN CC(C)Cn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1N1CCOCC1 ZINC000032741869 556303698 /nfs/dbraw/zinc/30/36/98/556303698.db2.gz LBGALEXVKVQHDL-UHFFFAOYSA-N 0 0 433.965 4.371 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000009616698 556303983 /nfs/dbraw/zinc/30/39/83/556303983.db2.gz YTEGLRIPUKVBAY-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN O=C(c1cc(-c2ccco2)nc2c1cnn2Cc1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000032747663 556316523 /nfs/dbraw/zinc/31/65/23/556316523.db2.gz PAFZHHBYFNYOKL-UHFFFAOYSA-N 0 0 444.491 4.485 50 0 IIAARN Cc1cccc(NC(=O)COc2c(Br)cc(C=O)cc2Br)c1 ZINC000009934784 556318241 /nfs/dbraw/zinc/31/82/41/556318241.db2.gz WJYYUQBTZMBWFC-UHFFFAOYSA-N 0 0 427.092 4.350 50 0 IIAARN COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000009969693 556318962 /nfs/dbraw/zinc/31/89/62/556318962.db2.gz HAOCWNJRYXZSNA-OAHLLOKOSA-N 0 0 434.583 4.233 50 0 IIAARN Cc1ccc(Cl)c(O[C@@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)c1 ZINC000013851265 556320461 /nfs/dbraw/zinc/32/04/61/556320461.db2.gz DQACQXVSUBNOEX-HNNXBMFYSA-N 0 0 430.961 4.325 50 0 IIAARN O=C(Nc1cccc2ccccc21)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013856423 556321143 /nfs/dbraw/zinc/32/11/43/556321143.db2.gz KOLFUBZHWLECSS-LJQANCHMSA-N 0 0 429.505 4.246 50 0 IIAARN Cc1cccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4n3C(F)F)CC2=O)c1C ZINC000032753507 556322920 /nfs/dbraw/zinc/32/29/20/556322920.db2.gz YGUAUEARWDQLGY-MRXNPFEDSA-N 0 0 426.467 4.060 50 0 IIAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000032753503 556322934 /nfs/dbraw/zinc/32/29/34/556322934.db2.gz FHUSGSABUTUDPS-HXUWFJFHSA-N 0 0 428.483 4.153 50 0 IIAARN CCc1cccc2c(C3=CCN(C(=O)CCN4C(=O)COc5ccccc54)CC3)c[nH]c21 ZINC000032754309 556323496 /nfs/dbraw/zinc/32/34/96/556323496.db2.gz XZCCEMMOJUIASD-UHFFFAOYSA-N 0 0 429.520 4.162 50 0 IIAARN CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000010059353 556324097 /nfs/dbraw/zinc/32/40/97/556324097.db2.gz GNGRZCKMXCPHAE-UNOMPAQXSA-N 0 0 427.478 4.117 50 0 IIAARN Cc1nc2c(cc(OS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c3ccsc32)s1 ZINC000032755167 556324297 /nfs/dbraw/zinc/32/42/97/556324297.db2.gz NUBTXYGOZNEAFZ-UHFFFAOYSA-N 0 0 432.504 4.032 50 0 IIAARN O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc(Br)cc1 ZINC000013897373 556330316 /nfs/dbraw/zinc/33/03/16/556330316.db2.gz PAKBSAUGZQDMJU-UHFFFAOYSA-N 0 0 438.771 4.453 50 0 IIAARN COC(=O)[C@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000013940091 556337639 /nfs/dbraw/zinc/33/76/39/556337639.db2.gz CVDHVRYSSGYHQW-DNQXCXABSA-N 0 0 432.495 4.488 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nncs2)n1C1CCCCC1 ZINC000013942635 556340007 /nfs/dbraw/zinc/34/00/07/556340007.db2.gz JEQGPPOZPDXCFJ-UHFFFAOYSA-N 0 0 430.559 4.041 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)nc3ccccc31)CCC2 ZINC000013942909 556340402 /nfs/dbraw/zinc/34/04/02/556340402.db2.gz QKYBZNVGFYWAJK-UHFFFAOYSA-N 0 0 427.551 4.396 50 0 IIAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 ZINC000013944488 556341955 /nfs/dbraw/zinc/34/19/55/556341955.db2.gz UMGFVIUSPGFIHO-INIZCTEOSA-N 0 0 428.558 4.366 50 0 IIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1cc3ccccc3nc1Cl)C2=O ZINC000032569664 556342648 /nfs/dbraw/zinc/34/26/48/556342648.db2.gz ZDSUMZCAVAIWAA-PSLXWICFSA-N 0 0 443.931 4.068 50 0 IIAARN CCCCOCCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000013955640 556344902 /nfs/dbraw/zinc/34/49/02/556344902.db2.gz WNDOLHHDQREYGR-RUZDIDTESA-N 0 0 433.552 4.426 50 0 IIAARN COc1cc(OC)c(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c(OC)c1 ZINC000011784255 556352526 /nfs/dbraw/zinc/35/25/26/556352526.db2.gz SEGADNQTBBCFGY-DEOSSOPVSA-N 0 0 449.547 4.383 50 0 IIAARN Cc1c(C(=O)NCCc2ccncc2)sc2ncnc(NCCc3ccccc3F)c12 ZINC000011786687 556353538 /nfs/dbraw/zinc/35/35/38/556353538.db2.gz LFTTVBZZAFVNJZ-UHFFFAOYSA-N 0 0 435.528 4.161 50 0 IIAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N(Cc1ccccc1F)C1CC1 ZINC000032795667 556357850 /nfs/dbraw/zinc/35/78/50/556357850.db2.gz DQDSCSIYHPIMCL-OAHLLOKOSA-N 0 0 431.305 4.132 50 0 IIAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795710 556357891 /nfs/dbraw/zinc/35/78/91/556357891.db2.gz GDMPSIDPYZKBIL-BLLLJJGKSA-N 0 0 449.345 4.294 50 0 IIAARN O=C(c1ccco1)N1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011816174 556358758 /nfs/dbraw/zinc/35/87/58/556358758.db2.gz HJZRJHHSRPWCKS-UHFFFAOYSA-N 0 0 442.519 4.191 50 0 IIAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)cc1 ZINC000022933844 556358922 /nfs/dbraw/zinc/35/89/22/556358922.db2.gz IKZRXFZXCIWRBD-KRWDZBQOSA-N 0 0 439.947 4.016 50 0 IIAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000014066530 556359132 /nfs/dbraw/zinc/35/91/32/556359132.db2.gz OZSTXASRYSCLSM-MRXNPFEDSA-N 0 0 438.900 4.026 50 0 IIAARN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2nccn2-c2ccc(OC)cc2)CC1 ZINC000011818403 556360487 /nfs/dbraw/zinc/36/04/87/556360487.db2.gz YHRAYIYFNKXIHD-UHFFFAOYSA-N 0 0 433.552 4.269 50 0 IIAARN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014070458 556360738 /nfs/dbraw/zinc/36/07/38/556360738.db2.gz AZRLALCZFKBLRZ-UHFFFAOYSA-N 0 0 441.366 4.152 50 0 IIAARN COc1ccc2c(C)cc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)nc2c1 ZINC000014094129 556366222 /nfs/dbraw/zinc/36/62/22/556366222.db2.gz SSJBSIQSWWOQJL-UHFFFAOYSA-N 0 0 443.956 4.394 50 0 IIAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCC(F)(F)F ZINC000014094648 556366477 /nfs/dbraw/zinc/36/64/77/556366477.db2.gz QZGJCPYLYINVLA-UHFFFAOYSA-N 0 0 432.398 4.158 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)[C@H](C)C1 ZINC000011844155 556367105 /nfs/dbraw/zinc/36/71/05/556367105.db2.gz ONIDARDNIMOZED-HXUWFJFHSA-N 0 0 425.536 4.139 50 0 IIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nccs3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000014109955 556369105 /nfs/dbraw/zinc/36/91/05/556369105.db2.gz TYZSUMGANXELKW-CTNGQTDRSA-N 0 0 437.521 4.283 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000014116856 556370888 /nfs/dbraw/zinc/37/08/88/556370888.db2.gz SANVLSWJPRMRLR-UHFFFAOYSA-N 0 0 434.583 4.062 50 0 IIAARN Cc1cc(C(=O)NC[C@H]2Cc3cc(C)cc(-c4ccc5nc(C)ccc5c4)c3O2)nn1C ZINC000011912380 556375593 /nfs/dbraw/zinc/37/55/93/556375593.db2.gz DMBVRXSYQTXUDA-OAQYLSRUSA-N 0 0 426.520 4.294 50 0 IIAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O ZINC000014141470 556376836 /nfs/dbraw/zinc/37/68/36/556376836.db2.gz YNSRKAKNXKUGDD-RUZDIDTESA-N 0 0 447.491 4.280 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000014142281 556377239 /nfs/dbraw/zinc/37/72/39/556377239.db2.gz MGGRUFZSJCXLMO-UHFFFAOYSA-N 0 0 449.580 4.358 50 0 IIAARN COc1ccccc1N1C[C@@H]2C[C@@H](c3nccn3-c3cccc(C)c3)N3CCC[C@@]23C1=O ZINC000011933787 556377350 /nfs/dbraw/zinc/37/73/50/556377350.db2.gz VDRSVUYIJIPUTP-NHZRIVAWSA-N 0 0 428.536 4.132 50 0 IIAARN O=C(CCCCc1nc2ccccc2s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014160877 556378290 /nfs/dbraw/zinc/37/82/90/556378290.db2.gz FWMXMQRJQGOSGN-UHFFFAOYSA-N 0 0 435.593 4.288 50 0 IIAARN O=C(CCSc1nnc(-c2ccc(F)cc2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014163420 556379028 /nfs/dbraw/zinc/37/90/28/556379028.db2.gz HOCCMBOEGVPTIK-UHFFFAOYSA-N 0 0 444.532 4.153 50 0 IIAARN COc1ccc(-c2cc(NC(=O)CCc3nc4ccccc4[nH]c3=O)ccc2OC)cc1 ZINC000014168358 556380542 /nfs/dbraw/zinc/38/05/42/556380542.db2.gz WYLKYFDMCNSGQO-UHFFFAOYSA-N 0 0 429.476 4.179 50 0 IIAARN COc1cc(C[C@@]2(CCC(=O)NCCC3=CC[C@H]4C[C@@H]3C4(C)C)CCC(=O)N2)ccc1F ZINC000011968358 556382113 /nfs/dbraw/zinc/38/21/13/556382113.db2.gz WZHBLUXTSSHRIC-CUVVAGTFSA-N 0 0 442.575 4.305 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000014187632 556386589 /nfs/dbraw/zinc/38/65/89/556386589.db2.gz JZPUCYUUDWJRIU-SFHVURJKSA-N 0 0 446.535 4.012 50 0 IIAARN O=C(c1ccccn1)[C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012023863 556387485 /nfs/dbraw/zinc/38/74/85/556387485.db2.gz VYCYPOHAAHIFNH-MRXNPFEDSA-N 0 0 430.430 4.169 50 0 IIAARN CC1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000014197591 556389031 /nfs/dbraw/zinc/38/90/31/556389031.db2.gz BLYGRVKLXFEVDA-UHFFFAOYSA-N 0 0 447.428 4.431 50 0 IIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000014197926 556389431 /nfs/dbraw/zinc/38/94/31/556389431.db2.gz YAGJLUQHMYHJOQ-UHFFFAOYSA-N 0 0 444.969 4.353 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)c(F)c2)C1 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/nfs/dbraw/zinc/57/86/46/556578646.db2.gz YFAQWQNAVZYKAB-BIUIZQBUSA-N 0 0 442.600 4.179 50 0 IIAARN C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016044522 556579021 /nfs/dbraw/zinc/57/90/21/556579021.db2.gz FCZVIXVQAWWCEB-QFIPXVFZSA-N 0 0 442.559 4.095 50 0 IIAARN Cc1ccc(C)c(-n2nnnc2SCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 ZINC000016045318 556579305 /nfs/dbraw/zinc/57/93/05/556579305.db2.gz UHPYGDBVQUOZRC-UHFFFAOYSA-N 0 0 432.431 4.239 50 0 IIAARN CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN(C)CCOc2ccccc2Cl)C1=O ZINC000016047057 556580608 /nfs/dbraw/zinc/58/06/08/556580608.db2.gz IGWLSIRRCWURPU-QHCPKHFHSA-N 0 0 429.948 4.102 50 0 IIAARN O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016048351 556580753 /nfs/dbraw/zinc/58/07/53/556580753.db2.gz MNDUEYLYDHYRBB-UHFFFAOYSA-N 0 0 438.475 4.439 50 0 IIAARN COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(Cc1ccncc1)CC2 ZINC000034755611 556581919 /nfs/dbraw/zinc/58/19/19/556581919.db2.gz JVQLJFXOBVYCKM-UHFFFAOYSA-N 0 0 445.567 4.467 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000034736925 556582007 /nfs/dbraw/zinc/58/20/07/556582007.db2.gz DAVZNCZMVVFLAO-UHFFFAOYSA-N 0 0 446.912 4.167 50 0 IIAARN COc1cccc(Sc2ccc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)nn2)c1 ZINC000032974829 556596022 /nfs/dbraw/zinc/59/60/22/556596022.db2.gz HYHJDRRBFNGTAY-MRXNPFEDSA-N 0 0 440.594 4.231 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)c1 ZINC000016291926 556597928 /nfs/dbraw/zinc/59/79/28/556597928.db2.gz JHDRNHQSPRFFDV-UHFFFAOYSA-N 0 0 429.520 4.218 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cccc(Cl)c2C)cc1 ZINC000016309721 556599186 /nfs/dbraw/zinc/59/91/86/556599186.db2.gz XJSQJGLLQYWPAR-WAOWUJCRSA-N 0 0 447.000 4.457 50 0 IIAARN O=S(=O)(c1cccs1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000032978116 556600905 /nfs/dbraw/zinc/60/09/05/556600905.db2.gz NEPDJLGWIJSOAQ-UHFFFAOYSA-N 0 0 446.985 4.103 50 0 IIAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000032978170 556600909 /nfs/dbraw/zinc/60/09/09/556600909.db2.gz ZHPHBYJYJUOCNE-AREMUKBSSA-N 0 0 446.551 4.005 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(C)C(c1ccccc1)c1ccccc1 ZINC000016340813 556600992 /nfs/dbraw/zinc/60/09/92/556600992.db2.gz FPIMBJQEOBHCSC-UHFFFAOYSA-N 0 0 435.955 4.458 50 0 IIAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1C[C@@H]1CCCCO1 ZINC000037543687 556604734 /nfs/dbraw/zinc/60/47/34/556604734.db2.gz RTQMZAOEYVAHNE-AWEZNQCLSA-N 0 0 434.359 4.359 50 0 IIAARN C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000016412309 556605993 /nfs/dbraw/zinc/60/59/93/556605993.db2.gz SOLWVCVIEWWSOY-JKSUJKDBSA-N 0 0 441.582 4.123 50 0 IIAARN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000016425007 556606394 /nfs/dbraw/zinc/60/63/94/556606394.db2.gz CVAZYFAEWMVMFC-LJQANCHMSA-N 0 0 431.945 4.179 50 0 IIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3N2)cc1OC ZINC000016447939 556608245 /nfs/dbraw/zinc/60/82/45/556608245.db2.gz SBDVEJFMVSHQPB-RDTXWAMCSA-N 0 0 447.417 4.208 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 ZINC000016448390 556608708 /nfs/dbraw/zinc/60/87/08/556608708.db2.gz BEORGMMLWLOJHF-UHFFFAOYSA-N 0 0 448.560 4.259 50 0 IIAARN CCOc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032995160 556610238 /nfs/dbraw/zinc/61/02/38/556610238.db2.gz XNYSJZAHBUOFNK-UHFFFAOYSA-N 0 0 438.553 4.137 50 0 IIAARN C[C@H](Cc1ccco1)NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995225 556610446 /nfs/dbraw/zinc/61/04/46/556610446.db2.gz PMIATOLHCFAFQS-CYBMUJFWSA-N 0 0 432.933 4.107 50 0 IIAARN CCNc1nc(SCC(=O)N[C@H](C)c2cc(OC)ccc2OC)nc2ccccc21 ZINC000011110258 556611913 /nfs/dbraw/zinc/61/19/13/556611913.db2.gz ANAHPXJEGAJCBR-CQSZACIVSA-N 0 0 426.542 4.048 50 0 IIAARN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000016491219 556612349 /nfs/dbraw/zinc/61/23/49/556612349.db2.gz JYQXVXVHHTZONC-UHFFFAOYSA-N 0 0 427.353 4.248 50 0 IIAARN CSc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000016623475 556618282 /nfs/dbraw/zinc/61/82/82/556618282.db2.gz QVZHDUCBHYWWTA-UHFFFAOYSA-N 0 0 435.475 4.079 50 0 IIAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1)C(=O)c1cccc(F)c1 ZINC000033681154 556621354 /nfs/dbraw/zinc/62/13/54/556621354.db2.gz WIQMISIPRATQTH-XMMPIXPASA-N 0 0 437.490 4.250 50 0 IIAARN CCOc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000016691621 556627298 /nfs/dbraw/zinc/62/72/98/556627298.db2.gz ZPLNWSVDXJTJIJ-UHFFFAOYSA-N 0 0 432.586 4.077 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@@H]4OC[C@H]5CCCCN5C4=O)cc3)sc2c1 ZINC000033768672 556631290 /nfs/dbraw/zinc/63/12/90/556631290.db2.gz ISRSGVWJLUAGKK-QUCCMNQESA-N 0 0 435.549 4.380 50 0 IIAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040288495 556634778 /nfs/dbraw/zinc/63/47/78/556634778.db2.gz ZNLSSYXXRSTUGW-BJKOFHAPSA-N 0 0 439.471 4.446 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000097938666 556635239 /nfs/dbraw/zinc/63/52/39/556635239.db2.gz VHLFMWCPLQHETB-GOSISDBHSA-N 0 0 446.482 4.342 50 0 IIAARN CCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)[C@H](C)CC ZINC000033795760 556636181 /nfs/dbraw/zinc/63/61/81/556636181.db2.gz NVPVXVLSDDCKJP-QGZVFWFLSA-N 0 0 430.570 4.351 50 0 IIAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016750026 556636856 /nfs/dbraw/zinc/63/68/56/556636856.db2.gz QTGBQLNGBXVEEF-QYFOZDBKSA-N 0 0 429.557 4.352 50 0 IIAARN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccccc45)ccc32)c1-c1ccc(F)cc1 ZINC000040391977 556638138 /nfs/dbraw/zinc/63/81/38/556638138.db2.gz SESIPIGISMUCAC-UHFFFAOYSA-N 0 0 438.466 4.278 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)NC(C)(C)C)C2)cc1OC ZINC000037441780 556638651 /nfs/dbraw/zinc/63/86/51/556638651.db2.gz KGCMJKLADFSHTP-LJQANCHMSA-N 0 0 443.519 4.346 50 0 IIAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccc(C)cc2)cc1 ZINC000037546721 556641054 /nfs/dbraw/zinc/64/10/54/556641054.db2.gz XUDYXGMREWRUNG-UHFFFAOYSA-N 0 0 435.524 4.081 50 0 IIAARN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000016822446 556644966 /nfs/dbraw/zinc/64/49/66/556644966.db2.gz OGNPQLKFLRGKJO-MRXNPFEDSA-N 0 0 439.899 4.280 50 0 IIAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NC[C@@H]1CCCO1 ZINC000037557265 556645251 /nfs/dbraw/zinc/64/52/51/556645251.db2.gz VWQCFTZDPJUAPL-QFIPXVFZSA-N 0 0 436.483 4.103 50 0 IIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000016829214 556645374 /nfs/dbraw/zinc/64/53/74/556645374.db2.gz FQCDCNVSNQNDDY-RUZDIDTESA-N 0 0 430.548 4.231 50 0 IIAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000016840926 556645864 /nfs/dbraw/zinc/64/58/64/556645864.db2.gz PNLYYISKVYJPQS-UHFFFAOYSA-N 0 0 442.903 4.452 50 0 IIAARN Cc1ccc(-c2csc3c2nc(SCC(=O)NCc2ccccc2)n(C)c3=O)cc1 ZINC000016846012 556646783 /nfs/dbraw/zinc/64/67/83/556646783.db2.gz BGOSBXMDHRQFNQ-UHFFFAOYSA-N 0 0 435.574 4.379 50 0 IIAARN C[C@@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726558 556647450 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IIAARN COc1ccc(-c2nc(CSc3nnc4n3nc(-c3ccccc3)n4C3CC3)no2)cc1 ZINC000032925501 556653374 /nfs/dbraw/zinc/65/33/74/556653374.db2.gz WDJOMTBKZVFGIM-UHFFFAOYSA-N 0 0 445.508 4.279 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC000033005319 556655095 /nfs/dbraw/zinc/65/50/95/556655095.db2.gz DNLNXIGZUQABKQ-NQIIRXRSSA-N 0 0 442.943 4.003 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 ZINC000033012009 556660511 /nfs/dbraw/zinc/66/05/11/556660511.db2.gz OCJLSPYVUHAOJZ-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2Cl)n1 ZINC000011854398 556661689 /nfs/dbraw/zinc/66/16/89/556661689.db2.gz DNEACXGEAGGAAA-UHFFFAOYSA-N 0 0 429.864 4.037 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)c(F)c2)n1 ZINC000011855580 556662020 /nfs/dbraw/zinc/66/20/20/556662020.db2.gz WNDMURJNIGFHQP-UHFFFAOYSA-N 0 0 441.463 4.338 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000248107633 556663011 /nfs/dbraw/zinc/66/30/11/556663011.db2.gz IZPYYROFDDAJGI-YVSFHVDLSA-N 0 0 433.597 4.299 50 0 IIAARN Cc1c(OCc2ccccc2)c(=O)c(I)cn1Cc1ccccc1 ZINC000043827476 556665333 /nfs/dbraw/zinc/66/53/33/556665333.db2.gz YOEWOYYRJBXOEZ-UHFFFAOYSA-N 0 0 431.273 4.389 50 0 IIAARN CCc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000017101814 556666295 /nfs/dbraw/zinc/66/62/95/556666295.db2.gz IYFWQVZNJKDPMD-UHFFFAOYSA-N 0 0 437.971 4.488 50 0 IIAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O ZINC000011866720 556666985 /nfs/dbraw/zinc/66/69/85/556666985.db2.gz AHLKQGHKCCZUJQ-ZDUSSCGKSA-N 0 0 427.428 4.418 50 0 IIAARN O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000011906471 556671645 /nfs/dbraw/zinc/67/16/45/556671645.db2.gz XLEQSIDWVVRCCB-UHFFFAOYSA-N 0 0 427.913 4.129 50 0 IIAARN COc1cc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000017207561 556673193 /nfs/dbraw/zinc/67/31/93/556673193.db2.gz XJOXUIRULKIREC-UHFFFAOYSA-N 0 0 435.889 4.049 50 0 IIAARN CCCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)c1 ZINC000011916376 556673290 /nfs/dbraw/zinc/67/32/90/556673290.db2.gz HEGPPTPKHRLAEJ-DEOSSOPVSA-N 0 0 435.524 4.461 50 0 IIAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCC[S@](=O)c1ccccc1 ZINC000032931574 556674517 /nfs/dbraw/zinc/67/45/17/556674517.db2.gz QMIPFKRFDUDGGJ-GDLZYMKVSA-N 0 0 430.595 4.112 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000011917399 556674719 /nfs/dbraw/zinc/67/47/19/556674719.db2.gz IHVWDEBOQGTNAR-IBGZPJMESA-N 0 0 444.940 4.133 50 0 IIAARN O=C(NCCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000032933088 556676474 /nfs/dbraw/zinc/67/64/74/556676474.db2.gz KNIULZFKSFKLKO-UHFFFAOYSA-N 0 0 437.559 4.027 50 0 IIAARN COc1ccc(C)cc1NC(=O)COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032933254 556676578 /nfs/dbraw/zinc/67/65/78/556676578.db2.gz OZISUKYVEZUKDF-MRXNPFEDSA-N 0 0 439.537 4.012 50 0 IIAARN O=C(c1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccon3)s2)C1 ZINC000011958272 556676781 /nfs/dbraw/zinc/67/67/81/556676781.db2.gz JIOYPGAHWWMCQA-AWEZNQCLSA-N 0 0 436.942 4.340 50 0 IIAARN CCC(CC)N(CCOC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000032935851 556678529 /nfs/dbraw/zinc/67/85/29/556678529.db2.gz KLSOEKCXLYATOP-UHFFFAOYSA-N 0 0 443.201 4.037 50 0 IIAARN C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032937138 556679302 /nfs/dbraw/zinc/67/93/02/556679302.db2.gz KSDFXSOAHFJJAY-CYBMUJFWSA-N 0 0 447.882 4.446 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000017987441 556680971 /nfs/dbraw/zinc/68/09/71/556680971.db2.gz VSNOXLAVMLRBDY-HDICACEKSA-N 0 0 426.266 4.124 50 0 IIAARN CC(C)C[C@@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018068501 556682761 /nfs/dbraw/zinc/68/27/61/556682761.db2.gz CUMDEUAPESQAAD-XNOWSJKESA-N 0 0 431.532 4.245 50 0 IIAARN O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1ccc(F)cc1 ZINC000013590236 556701163 /nfs/dbraw/zinc/70/11/63/556701163.db2.gz AHQTYWACQRQPNO-UHFFFAOYSA-N 0 0 441.509 4.099 50 0 IIAARN Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccccc3F)nc2c1 ZINC000033025981 556702052 /nfs/dbraw/zinc/70/20/52/556702052.db2.gz VYNKZSKIWVUKHL-UHFFFAOYSA-N 0 0 449.507 4.452 50 0 IIAARN Cc1ccc2nc(CSc3ccccc3NC(=O)COc3ccccc3)cc(=O)n2c1 ZINC000033025913 556702071 /nfs/dbraw/zinc/70/20/71/556702071.db2.gz WORNXLGFIPKQHT-UHFFFAOYSA-N 0 0 431.517 4.313 50 0 IIAARN O=C(CSCc1cc(=O)n2cc(Cl)ccc2n1)Nc1cccc(C(F)(F)F)c1 ZINC000033026806 556703731 /nfs/dbraw/zinc/70/37/31/556703731.db2.gz OLDXBQTUHIMGEU-UHFFFAOYSA-N 0 0 427.835 4.239 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C12CCCCC2 ZINC000049549435 556706530 /nfs/dbraw/zinc/70/65/30/556706530.db2.gz GOZKHMVJWJFJOC-JOCHJYFZSA-N 0 0 433.552 4.323 50 0 IIAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027636 556707104 /nfs/dbraw/zinc/70/71/04/556707104.db2.gz OFSPZGQQCWTGAN-CYBMUJFWSA-N 0 0 428.489 4.037 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)Nc1cccc(F)c1 ZINC000013654688 556707833 /nfs/dbraw/zinc/70/78/33/556707833.db2.gz RPYKDAPINMIGMJ-UHFFFAOYSA-N 0 0 430.482 4.167 50 0 IIAARN O=C1CCCN1CCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 ZINC000013690522 556711594 /nfs/dbraw/zinc/71/15/94/556711594.db2.gz ICNVWATWEOWYEE-UHFFFAOYSA-N 0 0 438.911 4.278 50 0 IIAARN Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCCC(C)C)cc3)s2)c1 ZINC000033031793 556711930 /nfs/dbraw/zinc/71/19/30/556711930.db2.gz UMMLCVOKRYEZOO-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN CCCS(=O)(=O)N1CCC(Nc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000071953802 556713389 /nfs/dbraw/zinc/71/33/89/556713389.db2.gz KRRDGKSUPKZASL-UHFFFAOYSA-N 0 0 430.599 4.283 50 0 IIAARN COc1ccc(OC)c(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)c(C)o2)c1 ZINC000019225261 556716512 /nfs/dbraw/zinc/71/65/12/556716512.db2.gz HVYINMWTDAZWBD-JXMROGBWSA-N 0 0 433.552 4.498 50 0 IIAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000033037006 556719990 /nfs/dbraw/zinc/71/99/90/556719990.db2.gz ZFRGSHSRDGWQFI-UHFFFAOYSA-N 0 0 425.492 4.131 50 0 IIAARN CC(C)(C)c1csc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)n1 ZINC000061717966 556724436 /nfs/dbraw/zinc/72/44/36/556724436.db2.gz OTQKPDDRUDEXOE-UHFFFAOYSA-N 0 0 447.358 4.066 50 0 IIAARN CC(C)c1cc2c(nc(CSCC(=O)Nc3cccc4c3ccn4C)[nH]c2=O)s1 ZINC000061718436 556724658 /nfs/dbraw/zinc/72/46/58/556724658.db2.gz IMYQLGHLFLCCCX-UHFFFAOYSA-N 0 0 426.567 4.472 50 0 IIAARN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nc3sccn23)CC1 ZINC000055108747 556734899 /nfs/dbraw/zinc/73/48/99/556734899.db2.gz KXFSMHZWXFVHNK-UHFFFAOYSA-N 0 0 427.570 4.101 50 0 IIAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055198237 556737189 /nfs/dbraw/zinc/73/71/89/556737189.db2.gz AEGAWARRMNYHHO-LJQANCHMSA-N 0 0 435.465 4.271 50 0 IIAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019369185 556747025 /nfs/dbraw/zinc/74/70/25/556747025.db2.gz RDWVMICTKORTAO-UHFFFAOYSA-N 0 0 428.532 4.282 50 0 IIAARN O=c1c2cc(Br)ccc2ncn1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000057995777 556751690 /nfs/dbraw/zinc/75/16/90/556751690.db2.gz UAEVLVYUYSWIQB-UHFFFAOYSA-N 0 0 439.288 4.021 50 0 IIAARN CCOC(=O)c1cc2cc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)ccc2s1 ZINC000058112417 556759092 /nfs/dbraw/zinc/75/90/92/556759092.db2.gz GLXJKDHBTDJLQX-HDICACEKSA-N 0 0 432.542 4.270 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 ZINC000011169552 556760828 /nfs/dbraw/zinc/76/08/28/556760828.db2.gz ATCJGCVLSVCPEJ-UHFFFAOYSA-N 0 0 449.941 4.468 50 0 IIAARN COc1ccc([C@H](NC(=O)CCc2nc(-c3cccs3)no2)C(F)(F)F)cc1OC ZINC000058153178 556762188 /nfs/dbraw/zinc/76/21/88/556762188.db2.gz JSXNUPMNJXNWLU-KRWDZBQOSA-N 0 0 441.431 4.168 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccccc2OC)C(=O)Nc2ccccc2OC)cc1 ZINC000001028554 556762599 /nfs/dbraw/zinc/76/25/99/556762599.db2.gz DPLFPDUYVMGZPW-PGMHBOJBSA-N 0 0 432.476 4.122 50 0 IIAARN O=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2ccccc2)CCOCC1 ZINC000061973963 556763182 /nfs/dbraw/zinc/76/31/82/556763182.db2.gz ZIBSOAXFVDHASH-UHFFFAOYSA-N 0 0 433.386 4.322 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158481 556763267 /nfs/dbraw/zinc/76/32/67/556763267.db2.gz JLUXUVAUKJDZLP-AWEZNQCLSA-N 0 0 439.317 4.273 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(Cl)c1 ZINC000058159719 556764126 /nfs/dbraw/zinc/76/41/26/556764126.db2.gz BHDWKUBHZDNWRI-OAHLLOKOSA-N 0 0 435.908 4.406 50 0 IIAARN O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccc(Br)cc1 ZINC000062007328 556765620 /nfs/dbraw/zinc/76/56/20/556765620.db2.gz DKIPNQJNLROQKJ-UHFFFAOYSA-N 0 0 436.309 4.253 50 0 IIAARN c1ccc(CO[C@@H]2[C@H]3OC4(CCCCC4)O[C@H]3O[C@@H]2[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000061996962 556767187 /nfs/dbraw/zinc/76/71/87/556767187.db2.gz OAEPJJXLQXXGMV-JFDBCFPISA-N 0 0 430.541 4.448 50 0 biogenic IIAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000058171232 556768222 /nfs/dbraw/zinc/76/82/22/556768222.db2.gz QEVCTJJKTQXRGO-UHFFFAOYSA-N 0 0 436.545 4.030 50 0 IIAARN CC(C)(CNC(=O)NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058196013 556770579 /nfs/dbraw/zinc/77/05/79/556770579.db2.gz CNODWPXSEAZXIO-UHFFFAOYSA-N 0 0 444.384 4.142 50 0 IIAARN COc1ccc(C[C@H](NC(=O)N[C@@H](C)c2nnc3ccccn32)c2ccc(OC)cc2)cc1 ZINC000058209322 556771972 /nfs/dbraw/zinc/77/19/72/556771972.db2.gz QPQREKWDYJUIPH-JTSKRJEESA-N 0 0 445.523 4.091 50 0 IIAARN CCOC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000058245188 556775076 /nfs/dbraw/zinc/77/50/76/556775076.db2.gz VAVVVMDKJHMONB-IWGBCORSSA-N 0 0 429.948 4.159 50 0 IIAARN CCOc1cc(/C=C/C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)cc(Cl)c1OC ZINC000058245681 556775201 /nfs/dbraw/zinc/77/52/01/556775201.db2.gz CMAXKDHNHNVOJP-SQUSKLHYSA-N 0 0 428.920 4.317 50 0 IIAARN Cc1ncc(CN(C)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)s1 ZINC000058282529 556777512 /nfs/dbraw/zinc/77/75/12/556777512.db2.gz WBJRNXYIMCLNBF-INIZCTEOSA-N 0 0 442.463 4.252 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000058331299 556781564 /nfs/dbraw/zinc/78/15/64/556781564.db2.gz VDIXHIBDGZTGRQ-UHFFFAOYSA-N 0 0 437.382 4.386 50 0 IIAARN O=C(NC1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1)c1ccc[nH]1 ZINC000058366446 556783177 /nfs/dbraw/zinc/78/31/77/556783177.db2.gz QZFOHWPLWVJTJV-UHFFFAOYSA-N 0 0 436.126 4.058 50 0 IIAARN C[C@@H]1CN(C(=O)c2ccc(NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C[C@@H](C)O1 ZINC000058394149 556785033 /nfs/dbraw/zinc/78/50/33/556785033.db2.gz YIEOPPJPZHNZPH-HUUCEWRRSA-N 0 0 426.904 4.252 50 0 IIAARN Cc1sc(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)nc1-c1ccc(Cl)cc1 ZINC000058416435 556786994 /nfs/dbraw/zinc/78/69/94/556786994.db2.gz GTNYWLSXPZTGMG-CYBMUJFWSA-N 0 0 441.940 4.202 50 0 IIAARN O=C(Nc1nncs1)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000058417656 556787035 /nfs/dbraw/zinc/78/70/35/556787035.db2.gz ZJQMYOYUVAHZHC-HNNXBMFYSA-N 0 0 432.977 4.271 50 0 IIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000058425177 556787793 /nfs/dbraw/zinc/78/77/93/556787793.db2.gz NNJICSZHJFPVGJ-GJZGRUSLSA-N 0 0 425.460 4.355 50 0 IIAARN COC(=O)[C@H](NC(=O)c1cc2ccc(F)cc2nc1C)c1ccc(Br)cc1 ZINC000058429407 556787886 /nfs/dbraw/zinc/78/78/86/556787886.db2.gz FSNQGMCFIGXOSN-GOSISDBHSA-N 0 0 431.261 4.089 50 0 IIAARN COc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1OC1CCCC1 ZINC000058438695 556788417 /nfs/dbraw/zinc/78/84/17/556788417.db2.gz VNTWEAFKEOVLOA-UHFFFAOYSA-N 0 0 448.523 4.042 50 0 IIAARN COc1cc(NC(=O)NCc2cccc(OCc3ccccn3)c2)ccc1N1CCCC1=O ZINC000058536982 556790077 /nfs/dbraw/zinc/79/00/77/556790077.db2.gz SZQYLIXCLVWMGW-UHFFFAOYSA-N 0 0 446.507 4.118 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(C3CC3)nn2C(C)(C)C)cc1 ZINC000059037665 556794224 /nfs/dbraw/zinc/79/42/24/556794224.db2.gz LYSOWHWMANBJJC-INIZCTEOSA-N 0 0 446.617 4.037 50 0 IIAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCC1(c2ccccc2)CCC1 ZINC000011193712 556795813 /nfs/dbraw/zinc/79/58/13/556795813.db2.gz BCVQUMNEIDCRIP-UHFFFAOYSA-N 0 0 435.574 4.425 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000062165628 556798009 /nfs/dbraw/zinc/79/80/09/556798009.db2.gz NFMGIEGXGRACHD-AWEZNQCLSA-N 0 0 440.887 4.040 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000060060861 556806045 /nfs/dbraw/zinc/80/60/45/556806045.db2.gz NPVPLVZFWYOINS-IBGZPJMESA-N 0 0 426.561 4.208 50 0 IIAARN O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1ccc2c(c1)OCCO2 ZINC000003284701 556808630 /nfs/dbraw/zinc/80/86/30/556808630.db2.gz JEJJEUIOVLSZDJ-LZCJLJQNSA-N 0 0 426.213 4.474 50 0 IIAARN COC[C@H](C)n1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccccc2c1=O ZINC000003316395 556809997 /nfs/dbraw/zinc/80/99/97/556809997.db2.gz BZKXRBSZMCWCEO-KRWDZBQOSA-N 0 0 425.554 4.260 50 0 IIAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000003322247 556810118 /nfs/dbraw/zinc/81/01/18/556810118.db2.gz RZEXQNMAYACXOH-UHFFFAOYSA-N 0 0 447.491 4.209 50 0 IIAARN Cc1ccc(C(=O)[C@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 ZINC000003319522 556810260 /nfs/dbraw/zinc/81/02/60/556810260.db2.gz YPYRXXJRLBWSFQ-HOYKHHGWSA-N 0 0 441.483 4.455 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000003327714 556810691 /nfs/dbraw/zinc/81/06/91/556810691.db2.gz DVPILZMEZFTVMU-UHFFFAOYSA-N 0 0 437.352 4.034 50 0 IIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cc1 ZINC000003294296 556810711 /nfs/dbraw/zinc/81/07/11/556810711.db2.gz XLYPVPNTVRHDJT-UHFFFAOYSA-N 0 0 429.977 4.018 50 0 IIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccccc3Cl)n2N)cc1 ZINC000003296025 556810915 /nfs/dbraw/zinc/81/09/15/556810915.db2.gz CVMGKUOHNIWZIS-UHFFFAOYSA-N 0 0 429.977 4.018 50 0 IIAARN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003357102 556811482 /nfs/dbraw/zinc/81/14/82/556811482.db2.gz VHFMOWOYMAMTLG-VIFPVBQESA-N 0 0 441.258 4.318 50 0 IIAARN CCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000003389775 556814041 /nfs/dbraw/zinc/81/40/41/556814041.db2.gz SGWNCCKUOKPZHT-UHFFFAOYSA-N 0 0 437.945 4.019 50 0 IIAARN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)Nc1ccc(Br)cc1 ZINC000033061653 556817240 /nfs/dbraw/zinc/81/72/40/556817240.db2.gz HXPHLVIGRJJKQU-UHFFFAOYSA-N 0 0 431.315 4.124 50 0 IIAARN COc1ccc(NC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1Cl ZINC000033063119 556818534 /nfs/dbraw/zinc/81/85/34/556818534.db2.gz LUUGOODCNQSDHA-HXUWFJFHSA-N 0 0 443.912 4.004 50 0 IIAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3cccc(C)c3[nH]2)cc1Cl ZINC000033063972 556818735 /nfs/dbraw/zinc/81/87/35/556818735.db2.gz NMAADOYAMGIBES-UHFFFAOYSA-N 0 0 432.929 4.379 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067852 556820115 /nfs/dbraw/zinc/82/01/15/556820115.db2.gz FPZNVUFJYFNXRY-QFIPXVFZSA-N 0 0 443.503 4.378 50 0 IIAARN Cc1ccc2nc(COc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)cc(=O)n2c1 ZINC000033068153 556820528 /nfs/dbraw/zinc/82/05/28/556820528.db2.gz STYRJIIBFZCIST-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN COc1ccc(OC)c2c1cc(C(=O)Nc1cccnc1Oc1ccc3c(c1)OCO3)n2C ZINC000072403231 556821617 /nfs/dbraw/zinc/82/16/17/556821617.db2.gz GEBKDWRVHUJUIC-UHFFFAOYSA-N 0 0 447.447 4.364 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064661924 556825665 /nfs/dbraw/zinc/82/56/65/556825665.db2.gz SXYABHLFZJLTOA-RUZDIDTESA-N 0 0 429.545 4.434 50 0 IIAARN COc1ccccc1NC(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000064800261 556827151 /nfs/dbraw/zinc/82/71/51/556827151.db2.gz BGBJLJFEAKBRGP-UHFFFAOYSA-N 0 0 432.528 4.200 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1 ZINC000064894073 556828857 /nfs/dbraw/zinc/82/88/57/556828857.db2.gz PIYHYDITBJKRNO-UHFFFAOYSA-N 0 0 434.423 4.211 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)cc1 ZINC000064928573 556829080 /nfs/dbraw/zinc/82/90/80/556829080.db2.gz FDKPTHMZEXLUPB-LJQANCHMSA-N 0 0 434.515 4.350 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)c1 ZINC000065002849 556831016 /nfs/dbraw/zinc/83/10/16/556831016.db2.gz ADFKGMVPLFFLNI-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)o1 ZINC000096602392 556838045 /nfs/dbraw/zinc/83/80/45/556838045.db2.gz MEISGUBWWYFEMD-UHFFFAOYSA-N 0 0 431.189 4.340 50 0 IIAARN O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997776 556838507 /nfs/dbraw/zinc/83/85/07/556838507.db2.gz NPPDJQDTMGWHJF-UHFFFAOYSA-N 0 0 445.535 4.263 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000011212975 556842585 /nfs/dbraw/zinc/84/25/85/556842585.db2.gz CTBCZGPXDDRRFE-DEOSSOPVSA-N 0 0 440.609 4.478 50 0 IIAARN Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 ZINC000068713280 556849534 /nfs/dbraw/zinc/84/95/34/556849534.db2.gz NEIBLKTYYGFMAE-XMMPIXPASA-N 0 0 439.895 4.436 50 0 IIAARN Cc1ccc2[nH]c(N3CCC(C(=O)NCc4cccc(Br)c4)CC3)nc2c1 ZINC000033070904 556851079 /nfs/dbraw/zinc/85/10/79/556851079.db2.gz WGUJUMPPNOHGJJ-UHFFFAOYSA-N 0 0 427.346 4.167 50 0 IIAARN O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071279 556851493 /nfs/dbraw/zinc/85/14/93/556851493.db2.gz STWNNWLDISTHAS-QGZVFWFLSA-N 0 0 441.373 4.291 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1Cl ZINC000033088526 556855543 /nfs/dbraw/zinc/85/55/43/556855543.db2.gz DGZOOVXKYMBMSG-UHFFFAOYSA-N 0 0 437.765 4.317 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 ZINC000033087825 556855547 /nfs/dbraw/zinc/85/55/47/556855547.db2.gz SGGCGUOXUSMQPB-UHFFFAOYSA-N 0 0 443.594 4.141 50 0 IIAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4cccs4)nc3n2)cc1 ZINC000033088417 556856380 /nfs/dbraw/zinc/85/63/80/556856380.db2.gz RZEGSRMWNNKHJN-UHFFFAOYSA-N 0 0 431.443 4.153 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033089018 556858299 /nfs/dbraw/zinc/85/82/99/556858299.db2.gz OSCMLIPKMHKTHV-AWEZNQCLSA-N 0 0 425.326 4.071 50 0 IIAARN O=C(Nc1ccccc1Br)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106166 556858554 /nfs/dbraw/zinc/85/85/54/556858554.db2.gz OFDFASWLDYKAAN-UHFFFAOYSA-N 0 0 425.330 4.490 50 0 IIAARN CCCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033114251 556861274 /nfs/dbraw/zinc/86/12/74/556861274.db2.gz SCLZXCDNDSPLBN-UHFFFAOYSA-N 0 0 430.917 4.163 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128170 556865049 /nfs/dbraw/zinc/86/50/49/556865049.db2.gz WGJOAAXNWLCSFV-MRXNPFEDSA-N 0 0 427.957 4.300 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(F)cc3Cl)ccc2=O)cc1 ZINC000033128349 556865480 /nfs/dbraw/zinc/86/54/80/556865480.db2.gz JFJUVDRTGJGQRP-AWEZNQCLSA-N 0 0 431.920 4.130 50 0 IIAARN COc1cccc(CNC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)c1 ZINC000033126834 556867334 /nfs/dbraw/zinc/86/73/34/556867334.db2.gz SFSGWYMVFNCYFO-UHFFFAOYSA-N 0 0 444.531 4.419 50 0 IIAARN CCOC(=O)C[C@H](NC(=O)Nc1ccc2sc(NC(C)=O)nc2c1)c1ccccc1 ZINC000033129451 556868687 /nfs/dbraw/zinc/86/86/87/556868687.db2.gz GLUNSVYHKGICLL-INIZCTEOSA-N 0 0 426.498 4.071 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1c(=O)c(C(=O)Nc1cccc(C(F)(F)F)c1)cn2C ZINC000033131117 556871642 /nfs/dbraw/zinc/87/16/42/556871642.db2.gz HODWENWFDGRUIH-UHFFFAOYSA-N 0 0 426.398 4.304 50 0 IIAARN CCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1 ZINC000033131410 556872013 /nfs/dbraw/zinc/87/20/13/556872013.db2.gz BBSWYTKFDBTLTF-UHFFFAOYSA-N 0 0 438.977 4.089 50 0 IIAARN Nc1nnc(SCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)s1 ZINC000072414774 556874618 /nfs/dbraw/zinc/87/46/18/556874618.db2.gz FSNCHESUCVAMDQ-INIZCTEOSA-N 0 0 429.958 4.244 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c3ncccc3nc2C(C)C)CC1 ZINC000033139846 556874925 /nfs/dbraw/zinc/87/49/25/556874925.db2.gz HNVKZULCHHMEHK-UHFFFAOYSA-N 0 0 440.979 4.366 50 0 IIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2C1=O ZINC000011224673 556875377 /nfs/dbraw/zinc/87/53/77/556875377.db2.gz WVVBFYNLPWHJRE-LUQKVYGDSA-N 0 0 448.519 4.036 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168787 556880885 /nfs/dbraw/zinc/88/08/85/556880885.db2.gz JLVPPJDAIMOJJS-IBGZPJMESA-N 0 0 434.565 4.169 50 0 IIAARN COc1ccc(OC)c(CNC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033168959 556881287 /nfs/dbraw/zinc/88/12/87/556881287.db2.gz SSRBQNIYGHNJRQ-UHFFFAOYSA-N 0 0 427.551 4.054 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 ZINC000033171006 556881746 /nfs/dbraw/zinc/88/17/46/556881746.db2.gz YDJGJQOESBSQNF-QINSGFPZSA-N 0 0 439.537 4.023 50 0 IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(C(C)=O)c3)c2cc1OC ZINC000033172780 556883028 /nfs/dbraw/zinc/88/30/28/556883028.db2.gz VMLQIJOOFNRIHQ-UHFFFAOYSA-N 0 0 436.493 4.062 50 0 IIAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)NCc2ccccc2)n1 ZINC000033170067 556885435 /nfs/dbraw/zinc/88/54/35/556885435.db2.gz DBVHRJIUMYDUGR-UHFFFAOYSA-N 0 0 448.573 4.277 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724495 556888547 /nfs/dbraw/zinc/88/85/47/556888547.db2.gz HINFGGGJIIYGHS-KDOFPFPSSA-N 0 0 439.541 4.389 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000033254465 556890566 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IIAARN CCOC(=O)C1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccc(OC)cc32)CC1 ZINC000036370356 556902035 /nfs/dbraw/zinc/90/20/35/556902035.db2.gz LPZNWTCMRNYTIN-UHFFFAOYSA-N 0 0 448.519 4.263 50 0 IIAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000019797527 556916496 /nfs/dbraw/zinc/91/64/96/556916496.db2.gz YYIFCDNEVNABDV-XMMPIXPASA-N 0 0 435.568 4.100 50 0 IIAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000019799914 556917281 /nfs/dbraw/zinc/91/72/81/556917281.db2.gz JXGHDRYHXMCZJB-CQSZACIVSA-N 0 0 426.797 4.374 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2cccnc2)cc1 ZINC000019823460 556924894 /nfs/dbraw/zinc/92/48/94/556924894.db2.gz PVUBHMQQTSZDPX-UHFFFAOYSA-N 0 0 445.504 4.097 50 0 IIAARN COc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn43)[nH]n2)cc1 ZINC000019827688 556926310 /nfs/dbraw/zinc/92/63/10/556926310.db2.gz BSKYSCZNLOMCBX-UHFFFAOYSA-N 0 0 438.900 4.484 50 0 IIAARN CCOc1ccc(CC2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000019890316 556939230 /nfs/dbraw/zinc/93/92/30/556939230.db2.gz LHIUMOKCNDQAFZ-JOCHJYFZSA-N 0 0 444.934 4.464 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@H](N3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890163 556939332 /nfs/dbraw/zinc/93/93/32/556939332.db2.gz BCPYIWXLHODRTD-DEOSSOPVSA-N 0 0 436.552 4.071 50 0 IIAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nsc(SCCN3CCOCC3)c12 ZINC000019897357 556940650 /nfs/dbraw/zinc/94/06/50/556940650.db2.gz XZXZPHPYNWDAIN-UHFFFAOYSA-N 0 0 440.015 4.249 50 0 IIAARN CCc1cc2c(cc1OCC(=O)OC)oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000019924470 556944576 /nfs/dbraw/zinc/94/45/76/556944576.db2.gz SRMJYMXGIRUWOB-UHFFFAOYSA-N 0 0 427.400 4.358 50 0 IIAARN Cc1c(N2C(=O)CS[C@@H]2c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000019927021 556945381 /nfs/dbraw/zinc/94/53/81/556945381.db2.gz XCGUZTHGKJCXQF-HXUWFJFHSA-N 0 0 444.354 4.026 50 0 IIAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962175 556955873 /nfs/dbraw/zinc/95/58/73/556955873.db2.gz IATANMOJGUGQJQ-QFIPXVFZSA-N 0 0 446.457 4.474 50 0 IIAARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000036394684 556972115 /nfs/dbraw/zinc/97/21/15/556972115.db2.gz LHWDHZOGJVVVNF-XNTDXEJSSA-N 0 0 427.504 4.117 50 0 IIAARN Cc1ccc(C)c(OCn2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000020044893 556972810 /nfs/dbraw/zinc/97/28/10/556972810.db2.gz LKOYMHSIARRTLS-UHFFFAOYSA-N 0 0 438.959 4.148 50 0 IIAARN C[C@H](NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccccc1 ZINC000033266510 556976862 /nfs/dbraw/zinc/97/68/62/556976862.db2.gz QLRHSNQBZLQXMD-IBGZPJMESA-N 0 0 425.536 4.490 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033266728 556978049 /nfs/dbraw/zinc/97/80/49/556978049.db2.gz LCQJMURQDRNIPF-UHFFFAOYSA-N 0 0 445.498 4.399 50 0 IIAARN CCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OCC)cc1 ZINC000020069150 556978409 /nfs/dbraw/zinc/97/84/09/556978409.db2.gz GNZXLBSCUNNIAX-PMACEKPBSA-N 0 0 437.569 4.019 50 0 IIAARN CC(=O)c1cccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)c1 ZINC000020095331 556979197 /nfs/dbraw/zinc/97/91/97/556979197.db2.gz SEYDAAISKBFPCX-UHFFFAOYSA-N 0 0 429.520 4.247 50 0 IIAARN COc1cc([C@H]2CC(=O)c3c(C)nc(N4CCc5ccccc54)nc3C2)cc(OC)c1OC ZINC000020101608 556980449 /nfs/dbraw/zinc/98/04/49/556980449.db2.gz DWVZUXPFUQXQPY-QGZVFWFLSA-N 0 0 445.519 4.418 50 0 IIAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)n2c3ccccc3nc21 ZINC000020103465 556981003 /nfs/dbraw/zinc/98/10/03/556981003.db2.gz POGNQIOBAVDRMX-GOSISDBHSA-N 0 0 447.322 4.296 50 0 IIAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000033268619 556985348 /nfs/dbraw/zinc/98/53/48/556985348.db2.gz HBTHRDXLSDRTNF-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN O=C(N[C@H](N1CCN(c2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000020134744 556988248 /nfs/dbraw/zinc/98/82/48/556988248.db2.gz CSYWWLKNCUKWCE-GOSISDBHSA-N 0 0 430.738 4.074 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000097111200 556990104 /nfs/dbraw/zinc/99/01/04/556990104.db2.gz BSQKEXBPKROTCL-YADHBBJMSA-N 0 0 426.532 4.280 50 0 IIAARN CCN1c2cc(C(=O)NCc3cccc(Br)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097125600 556991145 /nfs/dbraw/zinc/99/11/45/556991145.db2.gz RHRYJCHXCTVYJN-FQEVSTJZSA-N 0 0 442.357 4.171 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc(=O)c2c(C)cc(C)nc21 ZINC000020214941 556999300 /nfs/dbraw/zinc/99/93/00/556999300.db2.gz IHUXPTLCAMWJRW-UHFFFAOYSA-N 0 0 436.459 4.178 50 0 IIAARN CCOc1ccc(-c2noc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)n2)cc1OC ZINC000023126091 557007712 /nfs/dbraw/zinc/00/77/12/557007712.db2.gz KEQDBFIVDIKEIV-UHFFFAOYSA-N 0 0 437.496 4.367 50 0 IIAARN COC(=O)/C=C\c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000098004207 557012478 /nfs/dbraw/zinc/01/24/78/557012478.db2.gz OYMFHSQZHPNVPY-ZRVMKQEGSA-N 0 0 434.286 4.050 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000045971389 557014358 /nfs/dbraw/zinc/01/43/58/557014358.db2.gz YUISQZUJZHHFJI-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O 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557025725 /nfs/dbraw/zinc/02/57/25/557025725.db2.gz IWKKLMMDBWHNGZ-UHFFFAOYSA-N 0 0 449.532 4.066 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010774220 557025748 /nfs/dbraw/zinc/02/57/48/557025748.db2.gz QRPYAUULMNTBSS-SNVBAGLBSA-N 0 0 434.403 4.290 50 0 IIAARN C[C@H](Sc1nnnn1-c1ccc(O)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010774215 557025809 /nfs/dbraw/zinc/02/58/09/557025809.db2.gz QRPYAUULMNTBSS-JTQLQIEISA-N 0 0 434.403 4.290 50 0 IIAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)cc1OC ZINC000046057229 557029051 /nfs/dbraw/zinc/02/90/51/557029051.db2.gz QTTMPMVZNMKLRQ-OAHLLOKOSA-N 0 0 441.434 4.175 50 0 IIAARN CCN(c1ccc2sc(C(=O)NC3CC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073633 557030354 /nfs/dbraw/zinc/03/03/54/557030354.db2.gz ZIFQBURQPXOVLO-UHFFFAOYSA-N 0 0 430.551 4.017 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000046079340 557034068 /nfs/dbraw/zinc/03/40/68/557034068.db2.gz UIVOKUNWANVCDS-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(Cl)cc2C)c1=O ZINC000046079303 557034144 /nfs/dbraw/zinc/03/41/44/557034144.db2.gz WHPPSXMUGVDBRO-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN CN(C)C(=O)c1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000010846283 557034942 /nfs/dbraw/zinc/03/49/42/557034942.db2.gz CWZLZVPCPHEDLU-UHFFFAOYSA-N 0 0 434.462 4.058 50 0 IIAARN O=C([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000032946805 557034969 /nfs/dbraw/zinc/03/49/69/557034969.db2.gz KQUCELBHDSFLGK-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN CCCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(OCC)cc2)n1 ZINC000046086360 557035943 /nfs/dbraw/zinc/03/59/43/557035943.db2.gz FEHHPGJJQVCAJM-UHFFFAOYSA-N 0 0 436.965 4.180 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122514 557036293 /nfs/dbraw/zinc/03/62/93/557036293.db2.gz QUPKGCBXNGGMFL-OAHLLOKOSA-N 0 0 442.491 4.017 50 0 IIAARN COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3C)s2)C1 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CCOc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000017307808 557053751 /nfs/dbraw/zinc/05/37/51/557053751.db2.gz ODJOBIRJTHVHPW-UHFFFAOYSA-N 0 0 429.929 4.160 50 0 IIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 ZINC000022989654 557056039 /nfs/dbraw/zinc/05/60/39/557056039.db2.gz LFPGLZVNCYQAOT-UHFFFAOYSA-N 0 0 428.500 4.130 50 0 IIAARN C[C@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2F)C[C@H](C)O1 ZINC000048276297 557056340 /nfs/dbraw/zinc/05/63/40/557056340.db2.gz VGOJIOCMHGIIHK-KBPBESRZSA-N 0 0 430.505 4.122 50 0 IIAARN CCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033277037 557057918 /nfs/dbraw/zinc/05/79/18/557057918.db2.gz ZGJHJIDCAJGTRF-UHFFFAOYSA-N 0 0 448.548 4.181 50 0 IIAARN COc1ccc(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1Cl ZINC000033277613 557059452 /nfs/dbraw/zinc/05/94/52/557059452.db2.gz HRVNWCRZEHIAGU-UHFFFAOYSA-N 0 0 438.871 4.051 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033277932 557059917 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441.380 4.447 50 0 IIAARN O=C(OCc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000016247326 557148156 /nfs/dbraw/zinc/14/81/56/557148156.db2.gz AYLWBDPEIRUBNA-KDURUIRLSA-N 0 0 440.293 4.262 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000011444453 557148374 /nfs/dbraw/zinc/14/83/74/557148374.db2.gz UBFNAXIKRUGXQK-UHFFFAOYSA-N 0 0 431.803 4.253 50 0 IIAARN CN(CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000011461516 557151923 /nfs/dbraw/zinc/15/19/23/557151923.db2.gz JFIXEQCVFFRPEV-UHFFFAOYSA-N 0 0 440.896 4.460 50 0 IIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024585433 557152267 /nfs/dbraw/zinc/15/22/67/557152267.db2.gz FIUAZXXYHYAVHP-QGZVFWFLSA-N 0 0 440.550 4.200 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000023271360 557152444 /nfs/dbraw/zinc/15/24/44/557152444.db2.gz ZBKZHSCRGCUVAJ-YOEHRIQHSA-N 0 0 446.544 4.081 50 0 IIAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024609899 557154561 /nfs/dbraw/zinc/15/45/61/557154561.db2.gz XTPDKLPPQNUPQC-UHFFFAOYSA-N 0 0 432.561 4.349 50 0 IIAARN O=C(CN1C(=O)COc2ccccc21)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024658654 557157595 /nfs/dbraw/zinc/15/75/95/557157595.db2.gz MZXIKEMKPNHBEJ-RUZDIDTESA-N 0 0 432.545 4.258 50 0 IIAARN O=C(CN1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1)Nc1ccccc1 ZINC000011525929 557159223 /nfs/dbraw/zinc/15/92/23/557159223.db2.gz LOWRRCGRYFRVGU-UHFFFAOYSA-N 0 0 427.548 4.110 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000024747048 557161255 /nfs/dbraw/zinc/16/12/55/557161255.db2.gz BVJGCFODXCARER-NRFANRHFSA-N 0 0 444.457 4.061 50 0 IIAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccco1)c1ccccc1 ZINC000024768337 557165582 /nfs/dbraw/zinc/16/55/82/557165582.db2.gz FRTVOFRSVMCGFY-UHFFFAOYSA-N 0 0 442.512 4.440 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2=O)c1 ZINC000024830836 557165753 /nfs/dbraw/zinc/16/57/53/557165753.db2.gz YAALZRNOJOXIMS-QGZVFWFLSA-N 0 0 426.476 4.230 50 0 IIAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000206839324 557166425 /nfs/dbraw/zinc/16/64/25/557166425.db2.gz ZCAZMSAFAUVULD-FQEVSTJZSA-N 0 0 439.471 4.206 50 0 IIAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(CCc1cccs1)Cc1cccs1 ZINC000024774884 557166678 /nfs/dbraw/zinc/16/66/78/557166678.db2.gz HTFFYTNKEIMBHQ-UHFFFAOYSA-N 0 0 443.525 4.037 50 0 IIAARN CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n(Cc2ccccc2)n1 ZINC000024841441 557167987 /nfs/dbraw/zinc/16/79/87/557167987.db2.gz QWOMGLPNKQWKHW-UHFFFAOYSA-N 0 0 447.507 4.478 50 0 IIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000024857859 557174595 /nfs/dbraw/zinc/17/45/95/557174595.db2.gz HXSRPBQHCNOVEJ-UHFFFAOYSA-N 0 0 425.435 4.040 50 0 IIAARN Cc1cc(C(=O)Nc2ccc(C)c(I)c2)c2cnn(C(C)C)c2n1 ZINC000010963126 557178351 /nfs/dbraw/zinc/17/83/51/557178351.db2.gz IJFIKHKHWVQLOR-UHFFFAOYSA-N 0 0 434.281 4.486 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1 ZINC000000784741 557184894 /nfs/dbraw/zinc/18/48/94/557184894.db2.gz PWZIXUNKILABAG-KKSFZXQISA-N 0 0 425.529 4.125 50 0 IIAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009263908 557185178 /nfs/dbraw/zinc/18/51/78/557185178.db2.gz HKWPJSNMXWIRPZ-UHFFFAOYSA-N 0 0 440.613 4.075 50 0 IIAARN Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCCOc1ccc(Cl)cc1 ZINC000009327868 557186968 /nfs/dbraw/zinc/18/69/68/557186968.db2.gz WVRPVFANQPXGGH-UHFFFAOYSA-N 0 0 437.352 4.474 50 0 IIAARN CCc1noc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CC[C@H](C)C4)n1 ZINC000024988677 557187078 /nfs/dbraw/zinc/18/70/78/557187078.db2.gz ZHJZXVAGNTZPFC-LBPRGKRZSA-N 0 0 442.566 4.462 50 0 IIAARN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1C[C@@H](O)COCc1ccccc1 ZINC000025048722 557190919 /nfs/dbraw/zinc/19/09/19/557190919.db2.gz DIWCEBYKMAVQBI-GOSISDBHSA-N 0 0 426.925 4.356 50 0 IIAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000025049485 557191022 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IIAARN COCc1nnc(SCc2ccccc2C(=O)N2CCCC2)n1-c1ccc(F)cc1 ZINC000096289938 557194302 /nfs/dbraw/zinc/19/43/02/557194302.db2.gz DXZZPMGZHXXCKH-UHFFFAOYSA-N 0 0 426.517 4.081 50 0 IIAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 ZINC000025140072 557196515 /nfs/dbraw/zinc/19/65/15/557196515.db2.gz VWDUPOUZICJUFC-UHFFFAOYSA-N 0 0 429.542 4.185 50 0 IIAARN COc1ccc([C@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c2nccn2C)cc1 ZINC000025160788 557197576 /nfs/dbraw/zinc/19/75/76/557197576.db2.gz DCLOUADUPDTJJS-SFHVURJKSA-N 0 0 440.569 4.303 50 0 IIAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1 ZINC000025169222 557197878 /nfs/dbraw/zinc/19/78/78/557197878.db2.gz LSBRHHWQAHHCMV-UHFFFAOYSA-N 0 0 429.520 4.022 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000025171193 557198331 /nfs/dbraw/zinc/19/83/31/557198331.db2.gz KTJPMJAFUABBQB-UHFFFAOYSA-N 0 0 427.386 4.431 50 0 IIAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000025179932 557198960 /nfs/dbraw/zinc/19/89/60/557198960.db2.gz YCZJYPNLWXPJBW-ROUUACIJSA-N 0 0 434.492 4.306 50 0 IIAARN CCc1nnc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)s1 ZINC000096318498 557199184 /nfs/dbraw/zinc/19/91/84/557199184.db2.gz HVANKMISHMFLKS-ZETCQYMHSA-N 0 0 435.141 4.032 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 ZINC000025265707 557201764 /nfs/dbraw/zinc/20/17/64/557201764.db2.gz CYTCDGPNJPNBNX-IBGZPJMESA-N 0 0 437.584 4.218 50 0 IIAARN COc1ccc(NC=C2C(=O)N(c3ccc(Oc4ccccc4)cc3)CS2(=O)=O)cc1 ZINC000100918330 557202060 /nfs/dbraw/zinc/20/20/60/557202060.db2.gz CGBRQYOFFZMBRW-PXLXIMEGSA-N 0 0 436.489 4.160 50 0 IIAARN O[C@@H](COc1ccc(F)cc1Cl)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025336224 557204938 /nfs/dbraw/zinc/20/49/38/557204938.db2.gz ILBOPHLDZBAFTI-QGZVFWFLSA-N 0 0 432.845 4.060 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000025517890 557212667 /nfs/dbraw/zinc/21/26/67/557212667.db2.gz ZCNNXJLIWNRNTO-SFHVURJKSA-N 0 0 431.945 4.264 50 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CCCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)cc2)s1 ZINC000027022798 557255589 /nfs/dbraw/zinc/25/55/89/557255589.db2.gz NQNBPXNYXKYDBY-IBGZPJMESA-N 0 0 433.489 4.355 50 0 IIAARN CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000000815678 557255962 /nfs/dbraw/zinc/25/59/62/557255962.db2.gz UMWJXSFQGCCWGR-UHFFFAOYSA-N 0 0 435.756 4.033 50 0 IIAARN O=C(CS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)Nc1ccccc1F ZINC000100273228 557256243 /nfs/dbraw/zinc/25/62/43/557256243.db2.gz LWDLZTZNGRRBRN-HNNXBMFYSA-N 0 0 427.284 4.136 50 0 IIAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2ccc(C)cc2)c1 ZINC000101114053 557256661 /nfs/dbraw/zinc/25/66/61/557256661.db2.gz WNQPPEDZWSFTTD-WEMUOSSPSA-N 0 0 428.492 4.022 50 0 IIAARN O=C(Nc1ccc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1)C(F)(F)F ZINC000100384569 557259412 /nfs/dbraw/zinc/25/94/12/557259412.db2.gz DPDKKGBZJQACOR-AWEZNQCLSA-N 0 0 446.303 4.133 50 0 IIAARN COc1cc(CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)ccc1OC(F)F ZINC000027548585 557265223 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4.163 50 0 IIAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1)c1cccs1 ZINC000027754616 557273584 /nfs/dbraw/zinc/27/35/84/557273584.db2.gz JNKJVNNOVSCPJR-UHFFFAOYSA-N 0 0 433.580 4.299 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101402097 557280224 /nfs/dbraw/zinc/28/02/24/557280224.db2.gz LCFNKOPNNKIBPJ-QFIPXVFZSA-N 0 0 439.581 4.358 50 0 IIAARN O=C(CS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)Nc1ccc(F)cc1 ZINC000101006587 557281133 /nfs/dbraw/zinc/28/11/33/557281133.db2.gz LZHPWSXMOJHNFF-OAHLLOKOSA-N 0 0 427.284 4.136 50 0 IIAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1cccnc1Cl ZINC000011665549 557284136 /nfs/dbraw/zinc/28/41/36/557284136.db2.gz FJNFQCRSOSHYOQ-UHFFFAOYSA-N 0 0 427.855 4.154 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000101233474 557285195 /nfs/dbraw/zinc/28/51/95/557285195.db2.gz LEDUKSWEUFAUQY-WGGBDISSSA-N 0 0 431.488 4.045 50 0 IIAARN 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IIAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102255773 557316661 /nfs/dbraw/zinc/31/66/61/557316661.db2.gz UHVMMOFXKSSZKH-JOCHJYFZSA-N 0 0 439.581 4.454 50 0 IIAARN CS(=O)(=O)Nc1cc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1F ZINC000032908035 557317472 /nfs/dbraw/zinc/31/74/72/557317472.db2.gz GTASKXBRCMAMQR-NTEUORMPSA-N 0 0 440.496 4.428 50 0 IIAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)o2)s1 ZINC000032905934 557317494 /nfs/dbraw/zinc/31/74/94/557317494.db2.gz LKPJWTLRDKJEEW-UHFFFAOYSA-N 0 0 426.926 4.353 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3cccs3)c2=O)cc1 ZINC000033006790 557320652 /nfs/dbraw/zinc/32/06/52/557320652.db2.gz HUQJTDMZEVCVEK-UHFFFAOYSA-N 0 0 435.574 4.223 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CNC(=O)c3cccc(OC(F)F)c3)sc2C)cc1 ZINC000014226507 557323336 /nfs/dbraw/zinc/32/33/36/557323336.db2.gz DWKSSVPHXAPVLL-UHFFFAOYSA-N 0 0 447.463 4.097 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)c(C)c1 ZINC000033122272 557324522 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50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCC(O)CC2)[C@H]1c1cccs1 ZINC000257173513 557338075 /nfs/dbraw/zinc/33/80/75/557338075.db2.gz PHXRWQOTPJEZHT-RIBBAFADSA-N 0 0 426.582 4.105 50 0 IIAARN COc1ccc(Cl)cc1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000033414514 557339634 /nfs/dbraw/zinc/33/96/34/557339634.db2.gz YWTFRMLBXNXQGL-UHFFFAOYSA-N 0 0 430.961 4.418 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(C)cc3)C(=O)C2)cc1 ZINC000102530435 557342613 /nfs/dbraw/zinc/34/26/13/557342613.db2.gz YFKHNHRZYIUXHK-UHFFFAOYSA-N 0 0 427.504 4.178 50 0 IIAARN COc1ccc(CC2CCN(C(=O)c3c(C)noc3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000023333503 557347390 /nfs/dbraw/zinc/34/73/90/557347390.db2.gz NCEOSVSXEUFFNF-UHFFFAOYSA-N 0 0 434.492 4.482 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(c2nccc(-c3ccco3)n2)CC1 ZINC000023453001 557361524 /nfs/dbraw/zinc/36/15/24/557361524.db2.gz AVOKCCVVGCRKGR-UHFFFAOYSA-N 0 0 428.492 4.251 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000102663057 557362053 /nfs/dbraw/zinc/36/20/53/557362053.db2.gz AWTVSNZKEXJBJA-KMDXXIMOSA-N 0 0 428.488 4.445 50 0 IIAARN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220699682 557364258 /nfs/dbraw/zinc/36/42/58/557364258.db2.gz FEYXZCVRKJLMGG-KRWDZBQOSA-N 0 0 431.471 4.156 50 0 IIAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102704656 557366155 /nfs/dbraw/zinc/36/61/55/557366155.db2.gz FOSNTVDHSDNFAX-BHDDXSALSA-N 0 0 434.879 4.400 50 0 IIAARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc(OC)c1OC ZINC000102706262 557366572 /nfs/dbraw/zinc/36/65/72/557366572.db2.gz JHOIFPWMVJTLIT-XMHCIUCPSA-N 0 0 448.479 4.075 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000102707086 557366769 /nfs/dbraw/zinc/36/67/69/557366769.db2.gz MSOIFKSYWYSVLK-KMDXXIMOSA-N 0 0 444.487 4.145 50 0 IIAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)n1 ZINC000220789338 557366807 /nfs/dbraw/zinc/36/68/07/557366807.db2.gz AACZKHYXHPGEMX-NRFANRHFSA-N 0 0 441.535 4.385 50 0 IIAARN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102706719 557366968 /nfs/dbraw/zinc/36/69/68/557366968.db2.gz RHSRUBXZYIKUKT-WXFUMESZSA-N 0 0 428.488 4.363 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)cc1 ZINC000220825970 557367503 /nfs/dbraw/zinc/36/75/03/557367503.db2.gz CJANVZLGQUMNID-FQEVSTJZSA-N 0 0 434.540 4.260 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)sc2c1CC[C@H](CC)C2 ZINC000011690648 557369788 /nfs/dbraw/zinc/36/97/88/557369788.db2.gz QHWQXSGHTBVPTI-KSSFIOAISA-N 0 0 441.549 4.468 50 0 IIAARN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c1 ZINC000102735965 557373264 /nfs/dbraw/zinc/37/32/64/557373264.db2.gz YCFGGOFKEXXIIW-RBZQAINGSA-N 0 0 428.488 4.363 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023819262 557375993 /nfs/dbraw/zinc/37/59/93/557375993.db2.gz DXCSDKMPMRVDLF-UHFFFAOYSA-N 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C[C@H](c1cn(-c2ccccc2)nn1)N(C)CCS[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000408516883 557411884 /nfs/dbraw/zinc/41/18/84/557411884.db2.gz QBEBMDGJNKEOEX-MOPGFXCFSA-N 0 0 433.585 4.335 50 0 IIAARN CCCCN(Cc1ccccc1)C(=O)c1cc2c(nc3ccccn3c2=O)n1CCCOC ZINC000033585781 557415274 /nfs/dbraw/zinc/41/52/74/557415274.db2.gz QUPGSUYMFCKDIL-UHFFFAOYSA-N 0 0 446.551 4.128 50 0 IIAARN CC(C)c1c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000024467439 557415465 /nfs/dbraw/zinc/41/54/65/557415465.db2.gz NJFYISJWQZPCDN-UHFFFAOYSA-N 0 0 440.931 4.277 50 0 IIAARN CSCC[C@@H](C(=O)Nc1cccc(OC2CCCC2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103012501 557415739 /nfs/dbraw/zinc/41/57/39/557415739.db2.gz RQKDKIOTCTZBHR-HBMCJLEFSA-N 0 0 444.597 4.243 50 0 IIAARN CC(C)[C@@H](NC(=O)CCCCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000223237040 557449691 /nfs/dbraw/zinc/44/96/91/557449691.db2.gz VNEBZFLTGZIZGT-XMMPIXPASA-N 0 0 445.567 4.357 50 0 IIAARN OCCCc1nc2n(n1)[C@H](c1cccc(Br)c1)CC(c1ccc(F)cc1)=N2 ZINC000100706947 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ZINC000003408756 562935286 /nfs/dbraw/zinc/93/52/86/562935286.db2.gz RQUVCQDNMLWFIF-IBGZPJMESA-N 0 0 433.537 4.113 50 0 IIAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000003410765 562935316 /nfs/dbraw/zinc/93/53/16/562935316.db2.gz KDRUGMTZTHCODH-UHFFFAOYSA-N 0 0 437.525 4.014 50 0 aggregator IIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657680 562937447 /nfs/dbraw/zinc/93/74/47/562937447.db2.gz JZOJUYZGUJQXHA-BJKOFHAPSA-N 0 0 446.503 4.262 50 0 IIAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000004057041 562941272 /nfs/dbraw/zinc/94/12/72/562941272.db2.gz URKIJHCEGQSNRH-UHFFFAOYSA-N 0 0 443.576 4.186 50 0 IIAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2 ZINC000004077691 562941524 /nfs/dbraw/zinc/94/15/24/562941524.db2.gz XSLHMQWYRNTXOA-XMMPIXPASA-N 0 0 426.513 4.268 50 0 IIAARN Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1 ZINC000006530690 562947091 /nfs/dbraw/zinc/94/70/91/562947091.db2.gz 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CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 ZINC000008589917 562951411 /nfs/dbraw/zinc/95/14/11/562951411.db2.gz CWYQKPUYQZPQIU-HSZRJFAPSA-N 0 0 446.507 4.129 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2oc1C(=O)NCc1ccc(C)cc1 ZINC000008591692 562952071 /nfs/dbraw/zinc/95/20/71/562952071.db2.gz KNLIYTXVMJVDDC-QGZVFWFLSA-N 0 0 440.565 4.400 50 0 IIAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1Cc1ccccc1F)n2C ZINC000008591511 562952073 /nfs/dbraw/zinc/95/20/73/562952073.db2.gz SIOALIGVDNGKAC-UHFFFAOYSA-N 0 0 427.479 4.448 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)Nc1ccc(C)c(Cl)c1)nc2C ZINC000008593917 562952908 /nfs/dbraw/zinc/95/29/08/562952908.db2.gz DNLYSPDSXCMDLE-UHFFFAOYSA-N 0 0 435.915 4.190 50 0 IIAARN C[C@@H](NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)c1ccccc1 ZINC000008593989 562952932 /nfs/dbraw/zinc/95/29/32/562952932.db2.gz WFQZBRROSFOKPF-LJQANCHMSA-N 0 0 439.581 4.083 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000008598566 562954309 /nfs/dbraw/zinc/95/43/09/562954309.db2.gz FQWVIAKRDWNPAP-UHFFFAOYSA-N 0 0 427.456 4.327 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)Cc4ccc(Cl)cc4)c(C)n3n2)cc1 ZINC000008601657 562955563 /nfs/dbraw/zinc/95/55/63/562955563.db2.gz QDGAKOFSJSDOOV-UHFFFAOYSA-N 0 0 440.956 4.330 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)cc1 ZINC000008604197 562956296 /nfs/dbraw/zinc/95/62/96/562956296.db2.gz DMRANFZSGHMPNG-HXUWFJFHSA-N 0 0 437.565 4.398 50 0 IIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21)Nc1ccccc1 ZINC000008609247 562957695 /nfs/dbraw/zinc/95/76/95/562957695.db2.gz YPMQVKXDBOHLHW-OAQYLSRUSA-N 0 0 440.528 4.260 50 0 IIAARN Cc1ccc(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCCC4)c(=O)c32)cc1 ZINC000008609899 562958026 /nfs/dbraw/zinc/95/80/26/562958026.db2.gz IEVDJLFQDLTZTI-UHFFFAOYSA-N 0 0 428.536 4.111 50 0 IIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccccc1Cl ZINC000008610980 562958348 /nfs/dbraw/zinc/95/83/48/562958348.db2.gz BJSCCXXWJDMPDK-UHFFFAOYSA-N 0 0 431.879 4.228 50 0 IIAARN COc1cc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCCC3)cc(OC)c1 ZINC000008611323 562958491 /nfs/dbraw/zinc/95/84/91/562958491.db2.gz DFFOWPGOQUDMST-UHFFFAOYSA-N 0 0 449.551 4.333 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)coc2c1 ZINC000008611985 562958829 /nfs/dbraw/zinc/95/88/29/562958829.db2.gz MKFGOOPYNSFLQE-KRWDZBQOSA-N 0 0 426.538 4.343 50 0 aggregator IIAARN COc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1OC ZINC000008619130 562959818 /nfs/dbraw/zinc/95/98/18/562959818.db2.gz XBDFDIKYUYOWMP-UHFFFAOYSA-N 0 0 430.508 4.027 50 0 IIAARN COc1cc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc(OC)c1OC ZINC000008619511 562959903 /nfs/dbraw/zinc/95/99/03/562959903.db2.gz TXNOKGISXDDUCB-UHFFFAOYSA-N 0 0 430.501 4.256 50 0 IIAARN COc1ccc(CNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc43)n2)cc1 ZINC000008672464 562961068 /nfs/dbraw/zinc/96/10/68/562961068.db2.gz UTIFEQYFNADXML-UHFFFAOYSA-N 0 0 437.550 4.360 50 0 aggregator IIAARN O=C(CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1)N1CCOCC1 ZINC000008673877 562961344 /nfs/dbraw/zinc/96/13/44/562961344.db2.gz FTESATPKYOZWES-UHFFFAOYSA-N 0 0 447.969 4.153 50 0 IIAARN Cc1cc(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12 ZINC000008687545 562962975 /nfs/dbraw/zinc/96/29/75/562962975.db2.gz RJKGBXJWFMTDPX-GFCCVEGCSA-N 0 0 433.455 4.196 50 0 aggregator IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccnc2Cl)cc1 ZINC000008691183 562963407 /nfs/dbraw/zinc/96/34/07/562963407.db2.gz WDHQHGRQXAYJTA-NRFANRHFSA-N 0 0 449.894 4.278 50 0 IIAARN Cc1ccc(CNC(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 ZINC000008774461 562964071 /nfs/dbraw/zinc/96/40/71/562964071.db2.gz UXRPRPGGVDZJFF-UHFFFAOYSA-N 0 0 436.371 4.326 50 0 IIAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000008790122 562964134 /nfs/dbraw/zinc/96/41/34/562964134.db2.gz SZMPKPFIHMELAR-GAJHUEQPSA-N 0 0 429.472 4.077 50 0 biogenic IIAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000008790123 562964137 /nfs/dbraw/zinc/96/41/37/562964137.db2.gz SZMPKPFIHMELAR-UZUQRXQVSA-N 0 0 429.472 4.077 50 0 biogenic IIAARN CCn1c(SCc2ccccc2Cl)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 ZINC000008831374 562965024 /nfs/dbraw/zinc/96/50/24/562965024.db2.gz UYPSPKBFQGDEIZ-UHFFFAOYSA-N 0 0 429.929 4.421 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000008860215 562965356 /nfs/dbraw/zinc/96/53/56/562965356.db2.gz FILCXXNKSFNHCL-UHFFFAOYSA-N 0 0 429.476 4.233 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2cccs2)c1 ZINC000009126943 562967515 /nfs/dbraw/zinc/96/75/15/562967515.db2.gz KACKVGRHVSFBBC-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN CCN(C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1)c1ccc(OC)cc1 ZINC000009405528 562970107 /nfs/dbraw/zinc/97/01/07/562970107.db2.gz ZVYOMQDORZKFOW-UHFFFAOYSA-N 0 0 436.512 4.023 50 0 IIAARN O=C(COc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009491233 562971996 /nfs/dbraw/zinc/97/19/96/562971996.db2.gz CHYLGIKYXMJFIH-UHFFFAOYSA-N 0 0 440.924 4.061 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000009540065 562973093 /nfs/dbraw/zinc/97/30/93/562973093.db2.gz BKMNMVZVZODTOV-UHFFFAOYSA-N 0 0 446.912 4.410 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1 ZINC000009609728 562974083 /nfs/dbraw/zinc/97/40/83/562974083.db2.gz LSZJYOYBTDCQDR-UHFFFAOYSA-N 0 0 444.535 4.279 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3cccs3)C2)cc1 ZINC000009673743 562975286 /nfs/dbraw/zinc/97/52/86/562975286.db2.gz NZRKYZLPCBBBRQ-IBGZPJMESA-N 0 0 443.525 4.250 50 0 IIAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)COc1ccc(Cl)cc1 ZINC000009724572 562976142 /nfs/dbraw/zinc/97/61/42/562976142.db2.gz RVLZKAJFOYBAHA-LNVKXUELSA-N 0 0 434.945 4.298 50 0 IIAARN C/C=C/c1ccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 ZINC000013008406 562984060 /nfs/dbraw/zinc/98/40/60/562984060.db2.gz OQXBHRWVEKDHEK-WEVVVXLNSA-N 0 0 449.507 4.092 50 0 IIAARN CCOc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000013131407 562985015 /nfs/dbraw/zinc/98/50/15/562985015.db2.gz AVLJEHCHTUPRPY-UHFFFAOYSA-N 0 0 433.504 4.480 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000015942631 563019667 /nfs/dbraw/zinc/01/96/67/563019667.db2.gz YNJCAJZKRXCFBA-UHFFFAOYSA-N 0 0 432.572 4.458 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccccc1Cl)nc2C ZINC000015942996 563019891 /nfs/dbraw/zinc/01/98/91/563019891.db2.gz JJJYGHOYKUXTEW-KRWDZBQOSA-N 0 0 449.942 4.038 50 0 IIAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000015944380 563020247 /nfs/dbraw/zinc/02/02/47/563020247.db2.gz KYNYGAVYVOZZDX-NMEJYPJZSA-N 0 0 440.565 4.045 50 0 IIAARN C[C@@H](CC(=O)NCc1ccc(Cl)cc1Cl)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000017113759 563021370 /nfs/dbraw/zinc/02/13/70/563021370.db2.gz PIYFVECBWWZCQQ-GFCCVEGCSA-N 0 0 440.352 4.239 50 0 IIAARN O=C(Nc1c(F)cccc1F)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12 ZINC000020103943 563023625 /nfs/dbraw/zinc/02/36/25/563023625.db2.gz HEQPTNCKEOSHII-UHFFFAOYSA-N 0 0 445.473 4.487 50 0 IIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(I)c1 ZINC000018945428 568629005 /nfs/dbraw/zinc/62/90/05/568629005.db2.gz KXMJBSLACKELRX-UHFFFAOYSA-N 0 0 425.314 4.332 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000000941679 568641706 /nfs/dbraw/zinc/64/17/06/568641706.db2.gz KJDWBMLMIANKBN-MRXNPFEDSA-N 0 0 436.508 4.100 50 0 IIAARN COC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1CC[C@@H](C)C2 ZINC000000943086 568642230 /nfs/dbraw/zinc/64/22/30/568642230.db2.gz TVQACQNMHDATOG-LLVKDONJSA-N 0 0 438.343 4.440 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnc2ccccn21 ZINC000000948834 568643835 /nfs/dbraw/zinc/64/38/35/568643835.db2.gz SETKBGFWJBFXJV-UHFFFAOYSA-N 0 0 438.534 4.365 50 0 IIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4)nn32)cc1 ZINC000000950579 568645229 /nfs/dbraw/zinc/64/52/29/568645229.db2.gz YYQUOECUISRZOQ-JOCHJYFZSA-N 0 0 438.491 4.276 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC)cc1 ZINC000000976867 568648028 /nfs/dbraw/zinc/64/80/28/568648028.db2.gz NOYIDCSMOYVZCO-UHFFFAOYSA-N 0 0 425.558 4.348 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000978904 568648523 /nfs/dbraw/zinc/64/85/23/568648523.db2.gz PZTDNSOLWALBFK-JOCHJYFZSA-N 0 0 442.968 4.485 50 0 IIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000001018352 568651236 /nfs/dbraw/zinc/65/12/36/568651236.db2.gz VNDHBRBARIICNH-WSVATBPTSA-N 0 0 444.896 4.361 50 0 IIAARN CN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000025326463 568653388 /nfs/dbraw/zinc/65/33/88/568653388.db2.gz JSYAQRUTENJKGX-HXUWFJFHSA-N 0 0 429.520 4.033 50 0 IIAARN Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc21 ZINC000001064925 568655973 /nfs/dbraw/zinc/65/59/73/568655973.db2.gz SGEIVTAINFODAN-UHFFFAOYSA-N 0 0 433.415 4.146 50 0 IIAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1F ZINC000001062661 568655988 /nfs/dbraw/zinc/65/59/88/568655988.db2.gz VANDOIINJVFUGW-XKZIYDEJSA-N 0 0 432.476 4.184 50 0 IIAARN O=C(OCc1csc(-c2ccco2)n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000025437655 568657919 /nfs/dbraw/zinc/65/79/19/568657919.db2.gz OQKCDFJMOJPMHS-UHFFFAOYSA-N 0 0 434.429 4.149 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001091193 568658571 /nfs/dbraw/zinc/65/85/71/568658571.db2.gz KIDXQZBDVWXNPP-OAQYLSRUSA-N 0 0 428.941 4.177 50 0 IIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]12C ZINC000257346986 568730777 /nfs/dbraw/zinc/73/07/77/568730777.db2.gz KQUNCCJVTCFGQE-JMJUXQCLSA-N 0 0 434.573 4.292 50 0 IIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccccc1Cl ZINC000006017595 568740287 /nfs/dbraw/zinc/74/02/87/568740287.db2.gz UDAMHZWLXWANCE-UHFFFAOYSA-N 0 0 437.974 4.112 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2c(C)cccc2NC(=O)c2ccccc2OC)cc1 ZINC000003265376 568744211 /nfs/dbraw/zinc/74/42/11/568744211.db2.gz WGJLPKTYTWSKFN-UHFFFAOYSA-N 0 0 440.521 4.455 50 0 IIAARN Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000003273502 568744686 /nfs/dbraw/zinc/74/46/86/568744686.db2.gz KDEWAZYDMRYTSP-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN CCSc1ccccc1C(=O)NCC1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000044004879 568745705 /nfs/dbraw/zinc/74/57/05/568745705.db2.gz QIWFYJOUAOVAMS-UHFFFAOYSA-N 0 0 427.570 4.481 50 0 IIAARN COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2)cc1 ZINC000044086024 568747365 /nfs/dbraw/zinc/74/73/65/568747365.db2.gz OMZBWZXYEZNQDD-UHFFFAOYSA-N 0 0 437.550 4.439 50 0 IIAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1 ZINC000003372855 568748346 /nfs/dbraw/zinc/74/83/46/568748346.db2.gz DHLBBBMBVDNLAG-UHFFFAOYSA-N 0 0 426.321 4.333 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)n1Cc1cccs1 ZINC000003414047 568748654 /nfs/dbraw/zinc/74/86/54/568748654.db2.gz ZRXPAWKDEYVTTA-UHFFFAOYSA-N 0 0 440.546 4.299 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003421169 568748912 /nfs/dbraw/zinc/74/89/12/568748912.db2.gz UGASNFXUSCCXDR-UHFFFAOYSA-N 0 0 428.432 4.012 50 0 IIAARN C[C@@H]1CSC(N(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)=N1 ZINC000003458559 568749822 /nfs/dbraw/zinc/74/98/22/568749822.db2.gz LUQIDCHVLHEUCO-CQSZACIVSA-N 0 0 441.940 4.241 50 0 IIAARN CCOc1ccc2nc(NC(=O)[C@H](C)n3nc(-c4ccc(C)cc4)ccc3=O)sc2c1 ZINC000044213890 568750039 /nfs/dbraw/zinc/75/00/39/568750039.db2.gz IBYHNKXSSSVEQE-HNNXBMFYSA-N 0 0 434.521 4.427 50 0 IIAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)C(=O)NC1CCCCCC1 ZINC000005374828 568750298 /nfs/dbraw/zinc/75/02/98/568750298.db2.gz OHSIUQGISZJGSZ-UHFFFAOYSA-N 0 0 425.554 4.119 50 0 IIAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)NCc1ccc(Cl)cc1 ZINC000012571567 568750691 /nfs/dbraw/zinc/75/06/91/568750691.db2.gz RMPBZEUGDNOSHI-UHFFFAOYSA-N 0 0 442.762 4.363 50 0 IIAARN Cc1ccc(O)c(-c2cc(C(=O)N=c3[nH]c4ccc(S(C)(=O)=O)cc4s3)n[nH]2)c1 ZINC000334158146 568750864 /nfs/dbraw/zinc/75/08/64/568750864.db2.gz TUEPIRKMQRHYPO-SDXDJHTJSA-N 0 0 428.495 4.360 50 0 IIAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000019164950 568754305 /nfs/dbraw/zinc/75/43/05/568754305.db2.gz SZKWVFRNNGALLP-UHFFFAOYSA-N 0 0 429.457 4.435 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310087 568755057 /nfs/dbraw/zinc/75/50/57/568755057.db2.gz GKMWWBYOMMXHFP-NRFANRHFSA-N 0 0 442.531 4.181 50 0 IIAARN O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccccc1)N1CCc2ccccc2C1 ZINC000015303819 568755103 /nfs/dbraw/zinc/75/51/03/568755103.db2.gz VVSXGWFLVVBMBB-PXLXIMEGSA-N 0 0 443.528 4.341 50 0 IIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004026368 568758675 /nfs/dbraw/zinc/75/86/75/568758675.db2.gz BXDDOPIRYWHDEN-KRYDFONYSA-N 0 0 432.557 4.032 50 0 biogenic IIAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000004062534 568760272 /nfs/dbraw/zinc/76/02/72/568760272.db2.gz ZWTWXJZUUOVCIG-OPHFCASCSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCCC[C@H]1c1nc2ccccc2n1C ZINC000263587315 568760670 /nfs/dbraw/zinc/76/06/70/568760670.db2.gz FKRDNNNDHSOARX-QHCPKHFHSA-N 0 0 429.524 4.240 50 0 IIAARN Cn1c(=N)n(CC(=O)c2cccc(Br)c2)cc1-c1cccc(Br)c1 ZINC000334157507 568762108 /nfs/dbraw/zinc/76/21/08/568762108.db2.gz DDWJAIOEELZEIE-UHFFFAOYSA-N 0 0 449.146 4.381 50 0 IIAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263618795 568777899 /nfs/dbraw/zinc/77/78/99/568777899.db2.gz VPIWDVSLLVNISV-UHFFFAOYSA-N 0 0 446.894 4.320 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000001295805 568778526 /nfs/dbraw/zinc/77/85/26/568778526.db2.gz WVIDUPKTDGCYCP-UHFFFAOYSA-N 0 0 432.592 4.280 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000001306467 568779256 /nfs/dbraw/zinc/77/92/56/568779256.db2.gz CZANBGUVNHXQPT-INIZCTEOSA-N 0 0 444.578 4.118 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001321006 568780078 /nfs/dbraw/zinc/78/00/78/568780078.db2.gz VAEJURKXZREZEZ-UHFFFAOYSA-N 0 0 431.304 4.466 50 0 IIAARN CCOc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000001321060 568780090 /nfs/dbraw/zinc/78/00/90/568780090.db2.gz DDZGRCYIEQBQCG-CQSZACIVSA-N 0 0 440.569 4.041 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)cc1 ZINC000001393568 568785306 /nfs/dbraw/zinc/78/53/06/568785306.db2.gz DKCQUGNGZOIYIG-UHFFFAOYSA-N 0 0 433.411 4.257 50 0 IIAARN COc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3Cl)nc2C)cc1OC ZINC000001397205 568785520 /nfs/dbraw/zinc/78/55/20/568785520.db2.gz KUJXLOVIJLBPTO-UHFFFAOYSA-N 0 0 427.309 4.420 50 0 IIAARN O=C1c2cnc3nc(SCc4ccccc4Cl)nn3c2C[C@@H]2c3ccccc3CCN12 ZINC000001396879 568786094 /nfs/dbraw/zinc/78/60/94/568786094.db2.gz SLLOITFLIZTCJU-LJQANCHMSA-N 0 0 447.951 4.366 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)cc1OC ZINC000001402034 568786606 /nfs/dbraw/zinc/78/66/06/568786606.db2.gz OCMDYTQNUKBENO-UHFFFAOYSA-N 0 0 440.930 4.194 50 0 IIAARN O=C(Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1)c1cccs1 ZINC000025901142 568791042 /nfs/dbraw/zinc/79/10/42/568791042.db2.gz QQXIQJRCXYNPJF-UHFFFAOYSA-N 0 0 448.378 4.175 50 0 IIAARN COCc1nc2sc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c(C)c2c(OC)n1 ZINC000084066894 568791060 /nfs/dbraw/zinc/79/10/60/568791060.db2.gz WLBBIXKWPGPKDK-UHFFFAOYSA-N 0 0 427.313 4.296 50 0 IIAARN CC(=O)Nc1ccc(OC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000015541286 568797410 /nfs/dbraw/zinc/79/74/10/568797410.db2.gz QVNYVVZLGQMQLY-UHFFFAOYSA-N 0 0 438.505 4.282 50 0 IIAARN O=C(c1ccc(I)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015538882 568797450 /nfs/dbraw/zinc/79/74/50/568797450.db2.gz UDHCZCUOUKEQNQ-INIZCTEOSA-N 0 0 435.261 4.040 50 0 IIAARN O=C(Oc1ccc(N2CCCC2=O)cc1)c1n[nH]c(-c2ccccc2)c1Br ZINC000084558700 568798832 /nfs/dbraw/zinc/79/88/32/568798832.db2.gz BXYNRGRRBYBXKF-UHFFFAOYSA-N 0 0 426.270 4.185 50 0 IIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc2c(c1)OCCCO2 ZINC000015618799 568800073 /nfs/dbraw/zinc/80/00/73/568800073.db2.gz JVTYEXQWPUJAML-UHFFFAOYSA-N 0 0 430.460 4.016 50 0 IIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1 ZINC000015670326 568802278 /nfs/dbraw/zinc/80/22/78/568802278.db2.gz GLZLXBZRWTYXHK-SFHVURJKSA-N 0 0 428.521 4.229 50 0 IIAARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCN(c2ccccc2)CC1 ZINC000015721157 568811815 /nfs/dbraw/zinc/81/18/15/568811815.db2.gz MNHAJAYJBAOBLJ-JOCHJYFZSA-N 0 0 431.561 4.184 50 0 IIAARN O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1Br ZINC000015734146 568815849 /nfs/dbraw/zinc/81/58/49/568815849.db2.gz JTXZYJLSHRSBRI-UHFFFAOYSA-N 0 0 448.342 4.318 50 0 IIAARN O=C(CSc1ccc(Cl)cc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 ZINC000015734189 568816315 /nfs/dbraw/zinc/81/63/15/568816315.db2.gz PSXAANIVSVSFAI-UHFFFAOYSA-N 0 0 449.966 4.368 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 ZINC000015734512 568816501 /nfs/dbraw/zinc/81/65/01/568816501.db2.gz ITSXASAQWDHXHS-UHFFFAOYSA-N 0 0 446.472 4.235 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c1 ZINC000015735968 568816759 /nfs/dbraw/zinc/81/67/59/568816759.db2.gz PWVRJVJMNCZQBM-UHFFFAOYSA-N 0 0 445.523 4.434 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000001454978 568819232 /nfs/dbraw/zinc/81/92/32/568819232.db2.gz QFMDRBGVLRSANW-HSZRJFAPSA-N 0 0 438.491 4.180 50 0 IIAARN COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000015768017 568821943 /nfs/dbraw/zinc/82/19/43/568821943.db2.gz SCUBDZXVTRMXBQ-VMPITWQZSA-N 0 0 434.458 4.080 50 0 IIAARN COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1 ZINC000015774518 568823264 /nfs/dbraw/zinc/82/32/64/568823264.db2.gz URWNTBKICAQNTQ-UHFFFAOYSA-N 0 0 436.512 4.017 50 0 IIAARN COc1ccc(OC)c(C[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])c1 ZINC000015776893 568823621 /nfs/dbraw/zinc/82/36/21/568823621.db2.gz PKXZRGDZBMXNKE-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3c(C)cccc3C)c3sccc32)cc1 ZINC000015775430 568823630 /nfs/dbraw/zinc/82/36/30/568823630.db2.gz XVLOLHQYJCRXTC-UHFFFAOYSA-N 0 0 433.533 4.196 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 ZINC000015780865 568825216 /nfs/dbraw/zinc/82/52/16/568825216.db2.gz JLCQIUMEMXRBLW-LJQANCHMSA-N 0 0 435.954 4.355 50 0 IIAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O ZINC000015783404 568826787 /nfs/dbraw/zinc/82/67/87/568826787.db2.gz RCYLTZSKEVTJCZ-INIZCTEOSA-N 0 0 428.464 4.095 50 0 IIAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)Nc1ccccc1 ZINC000015783485 568827054 /nfs/dbraw/zinc/82/70/54/568827054.db2.gz DXTQJYJKELESIK-NRFANRHFSA-N 0 0 426.501 4.390 50 0 IIAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCc3ccccc3)N2C1=O ZINC000015783642 568827197 /nfs/dbraw/zinc/82/71/97/568827197.db2.gz YARSBQZAZBOGFN-JXFKEZNVSA-N 0 0 434.565 4.129 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)o3)CC2=O)cc1 ZINC000015785011 568829752 /nfs/dbraw/zinc/82/97/52/568829752.db2.gz KXIVHXIKCJIQAW-QGZVFWFLSA-N 0 0 436.537 4.246 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C ZINC000085711538 568835047 /nfs/dbraw/zinc/83/50/47/568835047.db2.gz KVYTVEIGEDHKLM-IBGZPJMESA-N 0 0 448.947 4.048 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000853631 568836483 /nfs/dbraw/zinc/83/64/83/568836483.db2.gz RFVTVPBSLAURBV-UHFFFAOYSA-N 0 0 448.298 4.017 50 0 IIAARN O=C(OCc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100346926 568837011 /nfs/dbraw/zinc/83/70/11/568837011.db2.gz GWDLNWLYRGHGEZ-KDURUIRLSA-N 0 0 440.293 4.262 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3n2)cc1 ZINC000001511604 568837537 /nfs/dbraw/zinc/83/75/37/568837537.db2.gz CUGVWKPFWPYQMW-UHFFFAOYSA-N 0 0 440.425 4.396 50 0 IIAARN COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085875400 568838194 /nfs/dbraw/zinc/83/81/94/568838194.db2.gz JQEUIBOVVXOKSZ-KRWDZBQOSA-N 0 0 440.473 4.061 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085878543 568838501 /nfs/dbraw/zinc/83/85/01/568838501.db2.gz BRIFMAMZWZDHRM-QGZVFWFLSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN CC(C)CCn1ccc2c1cccc2NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000085879968 568839140 /nfs/dbraw/zinc/83/91/40/568839140.db2.gz ZIJFMAWJUTWYTB-NRFANRHFSA-N 0 0 432.524 4.157 50 0 biogenic IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3F)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230137645 568839166 /nfs/dbraw/zinc/83/91/66/568839166.db2.gz WBEWZZXQVATYDD-GJZUVCINSA-N 0 0 445.538 4.018 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000015824036 568840367 /nfs/dbraw/zinc/84/03/67/568840367.db2.gz FUPUXBUZHBWSHB-UHFFFAOYSA-N 0 0 444.582 4.485 50 0 IIAARN COc1cccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000005393954 568846266 /nfs/dbraw/zinc/84/62/66/568846266.db2.gz PNGFYVDAGKDCQR-UHFFFAOYSA-N 0 0 425.529 4.447 50 0 IIAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCC(C)CC1 ZINC000006147747 568846417 /nfs/dbraw/zinc/84/64/17/568846417.db2.gz ABIYFIGLWHJAEB-UHFFFAOYSA-N 0 0 446.569 4.279 50 0 IIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1O[C@@H]3c1ccco1)n(C)c(=O)n(C)c2=O ZINC000015858837 568847012 /nfs/dbraw/zinc/84/70/12/568847012.db2.gz PKOCVRVPMTXRFI-XMMPIXPASA-N 0 0 439.471 4.078 50 0 IIAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccccn4)cc3C)s2)cc1 ZINC000015862029 568848452 /nfs/dbraw/zinc/84/84/52/568848452.db2.gz WHOZCWKJIKTJGF-UHFFFAOYSA-N 0 0 438.534 4.361 50 0 IIAARN Cc1ccc(OCc2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)cc1 ZINC000015865336 568850101 /nfs/dbraw/zinc/85/01/01/568850101.db2.gz RPIDLPZQUUYRAS-UHFFFAOYSA-N 0 0 426.929 4.490 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)c1 ZINC000015881054 568855510 /nfs/dbraw/zinc/85/55/10/568855510.db2.gz JVAMPEZOIHFZCA-UHFFFAOYSA-N 0 0 429.473 4.041 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000015882796 568857377 /nfs/dbraw/zinc/85/73/77/568857377.db2.gz RISBKIFMMCPSDP-UHFFFAOYSA-N 0 0 428.847 4.118 50 0 IIAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(C(F)(F)F)cc1 ZINC000015883613 568857787 /nfs/dbraw/zinc/85/77/87/568857787.db2.gz ZAOVSXCNMGILCW-UHFFFAOYSA-N 0 0 437.487 4.286 50 0 IIAARN O=C(Cc1cccc2ccccc21)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414585 568862477 /nfs/dbraw/zinc/86/24/77/568862477.db2.gz BVAAKQYVLFOQNT-QFIPXVFZSA-N 0 0 427.953 4.424 50 0 IIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000035291452 568863827 /nfs/dbraw/zinc/86/38/27/568863827.db2.gz RKCLOCWMHQYLPV-UHFFFAOYSA-N 0 0 437.443 4.324 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936631 568866017 /nfs/dbraw/zinc/86/60/17/568866017.db2.gz ACVGVOMRQPMORK-AWEZNQCLSA-N 0 0 426.870 4.293 50 0 IIAARN CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000012941043 568869802 /nfs/dbraw/zinc/86/98/02/568869802.db2.gz ZMBVXMVVPJMJME-FQEVSTJZSA-N 0 0 445.519 4.039 50 0 IIAARN COc1ccc(-c2nnn(CC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)n2)cc1OC ZINC000012943095 568870232 /nfs/dbraw/zinc/87/02/32/568870232.db2.gz XJKXDYLZDWAQQU-QGZVFWFLSA-N 0 0 445.523 4.268 50 0 IIAARN C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012950444 568872278 /nfs/dbraw/zinc/87/22/78/568872278.db2.gz HEXSKRYFKBMFPT-GUYCJALGSA-N 0 0 445.516 4.006 50 0 IIAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000016312305 568876686 /nfs/dbraw/zinc/87/66/86/568876686.db2.gz ZTOVORCXICSIMZ-VWLOTQADSA-N 0 0 435.593 4.272 50 0 IIAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000575610968 568878992 /nfs/dbraw/zinc/87/89/92/568878992.db2.gz CRIGVCHOSPQMHZ-HHHXNRCGSA-N 0 0 430.548 4.390 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000035482501 568884749 /nfs/dbraw/zinc/88/47/49/568884749.db2.gz ZJFBICVMJHKBPE-UHFFFAOYSA-N 0 0 436.604 4.209 50 0 IIAARN O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000012974389 568889889 /nfs/dbraw/zinc/88/98/89/568889889.db2.gz URYCEVZETQSUKL-UHFFFAOYSA-N 0 0 432.958 4.442 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1 ZINC000090610320 568892173 /nfs/dbraw/zinc/89/21/73/568892173.db2.gz GYDOTHVPSUPBMN-OAHLLOKOSA-N 0 0 431.485 4.033 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc([C@@H](O)c2cccs2)s1 ZINC000090613700 568892365 /nfs/dbraw/zinc/89/23/65/568892365.db2.gz AXTQAOWFDFWUNJ-KRWDZBQOSA-N 0 0 429.972 4.032 50 0 IIAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cccc(C)c1C ZINC000035535060 568892912 /nfs/dbraw/zinc/89/29/12/568892912.db2.gz XGIZQIGLOWQPFP-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000017028974 568894317 /nfs/dbraw/zinc/89/43/17/568894317.db2.gz ITSCQCNNKPDZBV-RZTXVSJASA-N 0 0 425.525 4.221 50 0 biogenic IIAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000012983520 568895251 /nfs/dbraw/zinc/89/52/51/568895251.db2.gz AZAOZLPCXUKAOQ-QLXKLKPCSA-N 0 0 445.494 4.137 50 0 IIAARN CCc1c(C)sc2nc(SCc3ccoc3C(=O)OC)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000013005819 568899360 /nfs/dbraw/zinc/89/93/60/568899360.db2.gz LJDGKOVSASCWBQ-AWEZNQCLSA-N 0 0 448.566 4.180 50 0 IIAARN COc1cccc(CN(C)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1OC ZINC000013019050 568902130 /nfs/dbraw/zinc/90/21/30/568902130.db2.gz HIYRHMLSPYSPFQ-UHFFFAOYSA-N 0 0 439.581 4.152 50 0 IIAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000013020719 568902256 /nfs/dbraw/zinc/90/22/56/568902256.db2.gz NXQUNYLAIXTAOD-IBGZPJMESA-N 0 0 431.517 4.477 50 0 IIAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1 ZINC000035708877 568907101 /nfs/dbraw/zinc/90/71/01/568907101.db2.gz OXYZQNKDGMYRHG-KPKJPENVSA-N 0 0 434.496 4.083 50 0 IIAARN CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784732 568907472 /nfs/dbraw/zinc/90/74/72/568907472.db2.gz BCQTYSWJAQDNEW-HNNXBMFYSA-N 0 0 427.526 4.150 50 0 IIAARN C[C@H](NC(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000239302885 568911080 /nfs/dbraw/zinc/91/10/80/568911080.db2.gz FTNRBMRHLAZWAY-FPTDNZKUSA-N 0 0 426.563 4.363 50 0 IIAARN CN(CC(=O)Nc1ccccc1OC(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000240871475 568912215 /nfs/dbraw/zinc/91/22/15/568912215.db2.gz IKVIVPYVYSTGPV-QAPCUYQASA-N 0 0 431.266 4.123 50 0 IIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(C)cc1 ZINC000245235847 568913052 /nfs/dbraw/zinc/91/30/52/568913052.db2.gz OPHFQBWCFDSCTD-SYVJQLTCSA-N 0 0 437.536 4.342 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](C=Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000245238323 568913339 /nfs/dbraw/zinc/91/33/39/568913339.db2.gz KIJOSTTWYVGZCQ-XWSAVZJRSA-N 0 0 434.542 4.206 50 0 IIAARN COc1ccc(CCNC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1OC ZINC000016601369 568925200 /nfs/dbraw/zinc/92/52/00/568925200.db2.gz LHKFSSLWWJEELT-UHFFFAOYSA-N 0 0 426.538 4.329 50 0 IIAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O ZINC000002826407 568925458 /nfs/dbraw/zinc/92/54/58/568925458.db2.gz BJSOUWAGKQSPRB-UHFFFAOYSA-N 0 0 438.476 4.176 50 0 biogenic IIAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026924833 568926592 /nfs/dbraw/zinc/92/65/92/568926592.db2.gz HXVICJNPPMHTAJ-CYBMUJFWSA-N 0 0 429.369 4.419 50 0 IIAARN CCn1c2cc(NC(=O)Nc3ccc(F)cc3F)c(N3CCCC3)cc2n(CC)c1=O ZINC000064449167 568928441 /nfs/dbraw/zinc/92/84/41/568928441.db2.gz DUCXVUFNAUGPIY-UHFFFAOYSA-N 0 0 429.471 4.365 50 0 IIAARN CCN(CC)c1ccc(NC(=O)CSc2ncnc3nc(N(C)C)sc32)c(C)c1 ZINC000064462979 568929679 /nfs/dbraw/zinc/92/96/79/568929679.db2.gz CBPNERVFEMYWDU-UHFFFAOYSA-N 0 0 430.603 4.038 50 0 IIAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1F)N1CCOCC1 ZINC000064471898 568929751 /nfs/dbraw/zinc/92/97/51/568929751.db2.gz ICICGODGNDOLQD-UHFFFAOYSA-N 0 0 448.267 4.492 50 0 IIAARN O=C1C(=O)N(Cc2cccs2)[C@H](c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064558149 568932077 /nfs/dbraw/zinc/93/20/77/568932077.db2.gz GNNGDXKRQPSADC-GOSISDBHSA-N 0 0 429.494 4.214 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c(C)c1 ZINC000064566143 568933010 /nfs/dbraw/zinc/93/30/10/568933010.db2.gz ZIZHHIIPSPNOAU-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000064578801 568934090 /nfs/dbraw/zinc/93/40/90/568934090.db2.gz NFCALNAHKPRXLO-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4cc(C)cc(C)c4[nH]c3n2)cc1 ZINC000006599869 568935398 /nfs/dbraw/zinc/93/53/98/568935398.db2.gz NSUZAHHZQNGDTC-UHFFFAOYSA-N 0 0 435.509 4.030 50 0 IIAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C(C)C)cc4)nnc3c2=O)cc1C ZINC000064593570 568935898 /nfs/dbraw/zinc/93/58/98/568935898.db2.gz DRFYGIANFTXWFW-UHFFFAOYSA-N 0 0 447.564 4.351 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000027026763 568939482 /nfs/dbraw/zinc/93/94/82/568939482.db2.gz QZLLDIPFQSKMLG-HXUWFJFHSA-N 0 0 437.858 4.475 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)c(C)c1 ZINC000064611388 568940124 /nfs/dbraw/zinc/94/01/24/568940124.db2.gz MWFVTFSOGGYSEJ-QFQXNSOFSA-N 0 0 433.596 4.093 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)cc1 ZINC000064660200 568942539 /nfs/dbraw/zinc/94/25/39/568942539.db2.gz XCRHDEGKRPMGHL-UHFFFAOYSA-N 0 0 428.579 4.491 50 0 IIAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000064690560 568944102 /nfs/dbraw/zinc/94/41/02/568944102.db2.gz MKDBPXOZQINCQT-UHFFFAOYSA-N 0 0 446.551 4.343 50 0 IIAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064704028 568944432 /nfs/dbraw/zinc/94/44/32/568944432.db2.gz WKSVEHKIWGHGSC-UHFFFAOYSA-N 0 0 426.590 4.035 50 0 IIAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NC(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064703738 568944442 /nfs/dbraw/zinc/94/44/42/568944442.db2.gz CGRDCKHKLAZZKO-UHFFFAOYSA-N 0 0 428.606 4.191 50 0 IIAARN CC[C@H](C)NC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704177 568944512 /nfs/dbraw/zinc/94/45/12/568944512.db2.gz BLRFKJPCJGURPD-ZDUSSCGKSA-N 0 0 432.569 4.158 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1 ZINC000064712356 568944905 /nfs/dbraw/zinc/94/49/05/568944905.db2.gz UZLKGIYADXQDJL-UHFFFAOYSA-N 0 0 446.511 4.476 50 0 IIAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NCC2CC2)cc1 ZINC000036063743 568944907 /nfs/dbraw/zinc/94/49/07/568944907.db2.gz QADULAMZJJGHRQ-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036065723 568945132 /nfs/dbraw/zinc/94/51/32/568945132.db2.gz KLDCNZLTVPBHGF-UHFFFAOYSA-N 0 0 435.524 4.300 50 0 IIAARN Cc1ccc(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068392 568945335 /nfs/dbraw/zinc/94/53/35/568945335.db2.gz UEIHTJIENCNWGE-UHFFFAOYSA-N 0 0 435.524 4.361 50 0 IIAARN CC(C)(C)c1cc(N2CCOCC2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000036070768 568945729 /nfs/dbraw/zinc/94/57/29/568945729.db2.gz PGRVGWAGBADLJE-UHFFFAOYSA-N 0 0 440.613 4.139 50 0 IIAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cc(OC)ccc1OC ZINC000036082603 568946803 /nfs/dbraw/zinc/94/68/03/568946803.db2.gz UCMUFHZTQNYCJC-MRXNPFEDSA-N 0 0 427.501 4.016 50 0 IIAARN COc1ccccc1CN(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)[C@H](C)c1ccccc1 ZINC000036083125 568946999 /nfs/dbraw/zinc/94/69/99/568946999.db2.gz SRJVSFDZCNMEMW-KNQAVFIVSA-N 0 0 449.551 4.355 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000036083726 568947385 /nfs/dbraw/zinc/94/73/85/568947385.db2.gz BBWYTAITGJTQGP-HXUWFJFHSA-N 0 0 434.414 4.086 50 0 IIAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1 ZINC000036084495 568947713 /nfs/dbraw/zinc/94/77/13/568947713.db2.gz BZDIUVMGNLFDIJ-HSZRJFAPSA-N 0 0 438.911 4.453 50 0 IIAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1ccccc1F ZINC000064746923 568950199 /nfs/dbraw/zinc/95/01/99/568950199.db2.gz HKAVCYAORAOXQR-UHFFFAOYSA-N 0 0 430.464 4.451 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)NCc4cccc(C)c4)CC3=O)c2)cc1 ZINC000064754773 568950956 /nfs/dbraw/zinc/95/09/56/568950956.db2.gz SKPRMQOXNWNEET-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(F)cc1 ZINC000036105684 568953609 /nfs/dbraw/zinc/95/36/09/568953609.db2.gz DXMXGDIIQKECKO-UHFFFAOYSA-N 0 0 430.501 4.159 50 0 IIAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)Cc2ccccc2)C2CC2)cs1 ZINC000036114981 568955416 /nfs/dbraw/zinc/95/54/16/568955416.db2.gz IMXAPVMSLUJSDT-UHFFFAOYSA-N 0 0 438.549 4.473 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)[C@H](C)CC ZINC000036117271 568955586 /nfs/dbraw/zinc/95/55/86/568955586.db2.gz QFABDECVPQTHTA-UTKZUKDTSA-N 0 0 444.597 4.299 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)Cc1ccco1 ZINC000036119833 568957158 /nfs/dbraw/zinc/95/71/58/568957158.db2.gz ZJVGGBVWKJNYOM-JOCHJYFZSA-N 0 0 438.549 4.203 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C1CC1 ZINC000036120869 568957656 /nfs/dbraw/zinc/95/76/56/568957656.db2.gz QXOIHSJNOANLMT-IERDGZPVSA-N 0 0 444.572 4.429 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)=O ZINC000036121657 568957902 /nfs/dbraw/zinc/95/79/02/568957902.db2.gz XLJFNUCCHNXUOB-IERDGZPVSA-N 0 0 432.561 4.287 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000036123060 568958551 /nfs/dbraw/zinc/95/85/51/568958551.db2.gz ZWJGYEYEAUPSHR-HXUWFJFHSA-N 0 0 447.576 4.080 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036122924 568958553 /nfs/dbraw/zinc/95/85/53/568958553.db2.gz GEIATSYQPVQCMD-OAQYLSRUSA-N 0 0 441.597 4.003 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C1CC1 ZINC000036123983 568958652 /nfs/dbraw/zinc/95/86/52/568958652.db2.gz CBTOMRYNSJSMNM-HXUWFJFHSA-N 0 0 441.597 4.145 50 0 IIAARN Cc1nc2n(c(=O)c1Cc1ccccc1)CN(Cc1ccccn1)CN2c1ccc(F)cc1 ZINC000036125659 568958836 /nfs/dbraw/zinc/95/88/36/568958836.db2.gz LYOHQFBVSIMIPP-UHFFFAOYSA-N 0 0 441.510 4.246 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000064792717 568959410 /nfs/dbraw/zinc/95/94/10/568959410.db2.gz BSAGUBRWLSURNZ-QHCPKHFHSA-N 0 0 440.482 4.210 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2cccc(C)c2)cc1 ZINC000064792730 568959447 /nfs/dbraw/zinc/95/94/47/568959447.db2.gz MDYOXUYLCWAUAJ-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)c1 ZINC000064799102 568960592 /nfs/dbraw/zinc/96/05/92/568960592.db2.gz LEHDTHRAIJHPJS-SFHVURJKSA-N 0 0 443.546 4.462 50 0 IIAARN COc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1O ZINC000064798407 568960601 /nfs/dbraw/zinc/96/06/01/568960601.db2.gz BCVPRSGFQCOJCA-HNNXBMFYSA-N 0 0 429.519 4.078 50 0 IIAARN COCC(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722799 568963201 /nfs/dbraw/zinc/96/32/01/568963201.db2.gz FHEGCQKNVUPWJR-IBGZPJMESA-N 0 0 425.573 4.473 50 0 IIAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)c1 ZINC000006722671 568963232 /nfs/dbraw/zinc/96/32/32/568963232.db2.gz DNGPDFFIKADSJC-FQEVSTJZSA-N 0 0 432.609 4.226 50 0 IIAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000006723183 568963292 /nfs/dbraw/zinc/96/32/92/568963292.db2.gz SEMIHQNEYKFSCS-OAQYLSRUSA-N 0 0 427.520 4.062 50 0 IIAARN COc1cccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000036152447 568963563 /nfs/dbraw/zinc/96/35/63/568963563.db2.gz YJXUEWPWLRKJIL-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817452 568964501 /nfs/dbraw/zinc/96/45/01/568964501.db2.gz VXWFTKKPXHLDRC-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1 ZINC000036155459 568964711 /nfs/dbraw/zinc/96/47/11/568964711.db2.gz OFZBODOLTURCOH-HSZRJFAPSA-N 0 0 436.558 4.346 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCC1=CCCCC1 ZINC000064816261 568965098 /nfs/dbraw/zinc/96/50/98/568965098.db2.gz UXQWUIMPWNRXCN-VWLOTQADSA-N 0 0 436.556 4.307 50 0 IIAARN CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000064819157 568965991 /nfs/dbraw/zinc/96/59/91/568965991.db2.gz CBFCHPGNCPYPIZ-UHFFFAOYSA-N 0 0 445.445 4.401 50 0 IIAARN CCn1nc(C)c(CCNC(=O)c2c(C)onc2-c2ccc(Br)s2)c1C ZINC000064820200 568967010 /nfs/dbraw/zinc/96/70/10/568967010.db2.gz UWTMQDFGNTUSPA-UHFFFAOYSA-N 0 0 437.363 4.280 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1c(F)cccc1F ZINC000036167455 568967700 /nfs/dbraw/zinc/96/77/00/568967700.db2.gz NCPZGKIHPZVBBM-QHCPKHFHSA-N 0 0 446.519 4.295 50 0 IIAARN COc1cccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)C3CC3)C2=O)c1 ZINC000036165790 568968413 /nfs/dbraw/zinc/96/84/13/568968413.db2.gz GWHCGOMTYFRBNF-QFIPXVFZSA-N 0 0 428.941 4.034 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1cccc(F)c1 ZINC000036166275 568968538 /nfs/dbraw/zinc/96/85/38/568968538.db2.gz TXUJSEVMAMBCLM-XMMPIXPASA-N 0 0 440.540 4.300 50 0 IIAARN COc1cccc(-c2nn([C@@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3noc(C)c32)c1 ZINC000064842527 568970859 /nfs/dbraw/zinc/97/08/59/568970859.db2.gz CMWNREQWQOQDOB-HNNXBMFYSA-N 0 0 432.480 4.185 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842463 568970909 /nfs/dbraw/zinc/97/09/09/568970909.db2.gz KWSKSIPEHCFRRL-IBGZPJMESA-N 0 0 432.480 4.267 50 0 IIAARN COc1cccc(-c2nn([C@H](C)C(=O)Nc3ccccc3Cl)c(=O)c3noc(C)c32)c1 ZINC000064842476 568970924 /nfs/dbraw/zinc/97/09/24/568970924.db2.gz VDJVPMHGJKLUKL-GFCCVEGCSA-N 0 0 438.871 4.222 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064848079 568971306 /nfs/dbraw/zinc/97/13/06/568971306.db2.gz FSWORQJPBQWJFT-UHFFFAOYSA-N 0 0 443.956 4.245 50 0 biogenic IIAARN Cc1ccc(C)c(-c2csc3[nH]c(CN(C[C@@H](O)COC(C)C)C4CC4)nc(=O)c23)c1 ZINC000036206522 568972992 /nfs/dbraw/zinc/97/29/92/568972992.db2.gz SBWCBKMBKCLEJR-GOSISDBHSA-N 0 0 441.597 4.019 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000064866250 568974234 /nfs/dbraw/zinc/97/42/34/568974234.db2.gz RSYCEIXMDCLCEL-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000064866538 568974617 /nfs/dbraw/zinc/97/46/17/568974617.db2.gz RNBSKOXACBZBIN-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cc(F)ccc3F)c2)c1C ZINC000064867046 568974794 /nfs/dbraw/zinc/97/47/94/568974794.db2.gz SDIHYZLYVUFTCG-UHFFFAOYSA-N 0 0 434.464 4.348 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1cccc(Cl)c1 ZINC000064866735 568974798 /nfs/dbraw/zinc/97/47/98/568974798.db2.gz IPABENOYHSZQFT-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(C)c(C)cc2N1 ZINC000064869339 568975937 /nfs/dbraw/zinc/97/59/37/568975937.db2.gz FHMOEANOJWDFJS-UHFFFAOYSA-N 0 0 441.915 4.191 50 0 IIAARN CCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036215343 568977438 /nfs/dbraw/zinc/97/74/38/568977438.db2.gz XMUKGLKTPKTCFQ-LEWJYISDSA-N 0 0 441.503 4.009 50 0 IIAARN CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1 ZINC000036218542 568977569 /nfs/dbraw/zinc/97/75/69/568977569.db2.gz XHUAMWYGPSSHRL-DHIUTWEWSA-N 0 0 443.503 4.137 50 0 IIAARN CCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)CC(C)C)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219018 568977613 /nfs/dbraw/zinc/97/76/13/568977613.db2.gz OFARDTNOTQRVFA-GOTSBHOMSA-N 0 0 437.540 4.178 50 0 IIAARN COc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)c1 ZINC000064872080 568977799 /nfs/dbraw/zinc/97/77/99/568977799.db2.gz ZSSRUVDFOWUXMS-UHFFFAOYSA-N 0 0 436.942 4.488 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000064871857 568977956 /nfs/dbraw/zinc/97/79/56/568977956.db2.gz NBSKTXTZDHUGPT-UHFFFAOYSA-N 0 0 444.534 4.002 50 0 IIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCCC4)cc3)n2)cc1 ZINC000064873283 568978274 /nfs/dbraw/zinc/97/82/74/568978274.db2.gz CJKZBDJJOPVQET-UHFFFAOYSA-N 0 0 447.535 4.273 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000064889506 568980470 /nfs/dbraw/zinc/98/04/70/568980470.db2.gz CTLCDTCBUIELLH-VGOFMYFVSA-N 0 0 444.535 4.375 50 0 IIAARN COc1ccc(N(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248473 568982781 /nfs/dbraw/zinc/98/27/81/568982781.db2.gz UWAYFYACFVQXGP-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCCOC)Cc2ccccc2)n1 ZINC000006775105 568983600 /nfs/dbraw/zinc/98/36/00/568983600.db2.gz SAOZZKRRLZUWTE-UHFFFAOYSA-N 0 0 426.948 4.005 50 0 IIAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000036253813 568984535 /nfs/dbraw/zinc/98/45/35/568984535.db2.gz HYHOIQLDGCSSQY-LLVKDONJSA-N 0 0 429.548 4.358 50 0 IIAARN CCc1ccc(-n2nc(N3CCC(C(=O)NC4CCCCCCC4)CC3)ccc2=O)cc1 ZINC000064927261 568987056 /nfs/dbraw/zinc/98/70/56/568987056.db2.gz NEAOIGKWAJCUKW-UHFFFAOYSA-N 0 0 436.600 4.240 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c(OC)c1 ZINC000064928943 568987253 /nfs/dbraw/zinc/98/72/53/568987253.db2.gz ULMNYVLMIVWURG-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928828 568987741 /nfs/dbraw/zinc/98/77/41/568987741.db2.gz BGVVQEXAPGXKFL-SFHVURJKSA-N 0 0 436.943 4.358 50 0 IIAARN O=C(CSc1ccccc1)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930039 568988439 /nfs/dbraw/zinc/98/84/39/568988439.db2.gz UJJUPDMUUZJSCW-KRWDZBQOSA-N 0 0 442.541 4.385 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930537 568989101 /nfs/dbraw/zinc/98/91/01/568989101.db2.gz BRRZSEBESHLYEQ-SFHVURJKSA-N 0 0 439.516 4.285 50 0 IIAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302443 568994219 /nfs/dbraw/zinc/99/42/19/568994219.db2.gz WDVBEMWGLFVRDD-OAQYLSRUSA-N 0 0 439.556 4.201 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948557 568994389 /nfs/dbraw/zinc/99/43/89/568994389.db2.gz CSMKPLIMPAPOMJ-UHFFFAOYSA-N 0 0 438.509 4.274 50 0 IIAARN CC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)c1ccco1 ZINC000036313214 568997934 /nfs/dbraw/zinc/99/79/34/568997934.db2.gz UAPJJUZOQXXZPS-INIZCTEOSA-N 0 0 427.476 4.351 50 0 IIAARN CCc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000006809805 568999446 /nfs/dbraw/zinc/99/94/46/568999446.db2.gz MPYBVFMFDNNZIU-OAQYLSRUSA-N 0 0 425.550 4.062 50 0 IIAARN CCc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000006809806 568999447 /nfs/dbraw/zinc/99/94/47/568999447.db2.gz MPYBVFMFDNNZIU-NRFANRHFSA-N 0 0 425.550 4.062 50 0 IIAARN CSc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)c1 ZINC000064965624 569000901 /nfs/dbraw/zinc/00/09/01/569000901.db2.gz HRMSEOABMKVJCI-UHFFFAOYSA-N 0 0 443.528 4.297 50 0 IIAARN Cc1cc(C)n(CC(=O)NCc2ccccc2Cl)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000064971766 569076834 /nfs/dbraw/zinc/07/68/34/569076834.db2.gz IEIJAQHDVHDLJF-UHFFFAOYSA-N 0 0 448.910 4.152 50 0 IIAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(C)cc4)c3=O)n2)cc1 ZINC000064971838 569076841 /nfs/dbraw/zinc/07/68/41/569076841.db2.gz NMXHODWVWDTSEU-UHFFFAOYSA-N 0 0 444.491 4.138 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000064972219 569076963 /nfs/dbraw/zinc/07/69/63/569076963.db2.gz FAEQLKIWLWJHBJ-QFIPXVFZSA-N 0 0 442.487 4.028 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000064976887 569077363 /nfs/dbraw/zinc/07/73/63/569077363.db2.gz PCNLZPZGFYDMQH-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN CCc1cccc(NC(=O)CCc2c(C)n(C)c3cc(-c4cccc(OC)c4)nn3c2=O)c1 ZINC000064977681 569077596 /nfs/dbraw/zinc/07/75/96/569077596.db2.gz OPJZXCAWKDLLPF-UHFFFAOYSA-N 0 0 444.535 4.151 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036342699 569079506 /nfs/dbraw/zinc/07/95/06/569079506.db2.gz ZNFLHBQVJBRFMI-RUZDIDTESA-N 0 0 447.579 4.128 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985723 569081972 /nfs/dbraw/zinc/08/19/72/569081972.db2.gz CBBDDJYBVLRZJK-FQEVSTJZSA-N 0 0 446.887 4.074 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985722 569081977 /nfs/dbraw/zinc/08/19/77/569081977.db2.gz CBBDDJYBVLRZJK-HXUWFJFHSA-N 0 0 446.887 4.074 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1 ZINC000064985796 569082066 /nfs/dbraw/zinc/08/20/66/569082066.db2.gz QCQPZRHGCSGAGZ-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(F)cc3)Oc3cc(C)ccc32)cc1 ZINC000064986022 569082096 /nfs/dbraw/zinc/08/20/96/569082096.db2.gz JQTFRNJAXTYPGI-JOCHJYFZSA-N 0 0 440.496 4.038 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc(-c3cc4c(cc3C)OCCCO4)n2C)c1C ZINC000064987124 569082529 /nfs/dbraw/zinc/08/25/29/569082529.db2.gz HCQCIHKROUMNCW-UHFFFAOYSA-N 0 0 438.553 4.299 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4c(F)cccc4F)ccc3C[C@H]2C)cc1 ZINC000064990226 569083253 /nfs/dbraw/zinc/08/32/53/569083253.db2.gz DDUQCGVKBFNHOJ-OAHLLOKOSA-N 0 0 436.458 4.495 50 0 IIAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(OC)c1 ZINC000064990437 569083386 /nfs/dbraw/zinc/08/33/86/569083386.db2.gz VMOXXKUNIUCEBQ-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN COc1cccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990910 569083448 /nfs/dbraw/zinc/08/34/48/569083448.db2.gz CKZGXAWGGVFXCJ-UHFFFAOYSA-N 0 0 429.520 4.206 50 0 IIAARN COC(=O)c1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000064990892 569083452 /nfs/dbraw/zinc/08/34/52/569083452.db2.gz QSXRMBNMNLFEMD-UHFFFAOYSA-N 0 0 443.503 4.306 50 0 IIAARN COC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990922 569083590 /nfs/dbraw/zinc/08/35/90/569083590.db2.gz PRGABDKWJZWYBU-UHFFFAOYSA-N 0 0 443.503 4.306 50 0 IIAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCCC4)s3)c2C)c1 ZINC000064998620 569085413 /nfs/dbraw/zinc/08/54/13/569085413.db2.gz BFCVBUVIFUNRTN-UHFFFAOYSA-N 0 0 425.558 4.469 50 0 IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036358820 569085417 /nfs/dbraw/zinc/08/54/17/569085417.db2.gz WWRDPHVEAKKQBW-OALUTQOASA-N 0 0 436.537 4.219 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000064998883 569085535 /nfs/dbraw/zinc/08/55/35/569085535.db2.gz WNNYXZPFMQGJEC-UHFFFAOYSA-N 0 0 442.450 4.007 50 0 IIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCc3ccc(F)cc3)c2C1 ZINC000065000084 569085777 /nfs/dbraw/zinc/08/57/77/569085777.db2.gz LEXHYFPPFSDTLA-UHFFFAOYSA-N 0 0 436.458 4.201 50 0 IIAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(Oc3ncccn3)c1)CC(=O)N2 ZINC000036366141 569087137 /nfs/dbraw/zinc/08/71/37/569087137.db2.gz NDMAPLKRIZQWOR-OAHLLOKOSA-N 0 0 433.859 4.330 50 0 IIAARN Cc1ccc(-c2ccc(N(C)Cc3ccccc3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009235 569087915 /nfs/dbraw/zinc/08/79/15/569087915.db2.gz UCOBIRJQXDARIB-UHFFFAOYSA-N 0 0 436.581 4.263 50 0 IIAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000036370437 569088476 /nfs/dbraw/zinc/08/84/76/569088476.db2.gz UKTKRCWHPLYNAO-WMLDXEAASA-N 0 0 448.976 4.077 50 0 IIAARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000065020921 569088690 /nfs/dbraw/zinc/08/86/90/569088690.db2.gz MTHPVSBIVFAFQA-UHFFFAOYSA-N 0 0 428.432 4.030 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)c(OC)c1 ZINC000065023842 569089435 /nfs/dbraw/zinc/08/94/35/569089435.db2.gz UGZIKFGBFCGPBH-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1 ZINC000065023736 569089455 /nfs/dbraw/zinc/08/94/55/569089455.db2.gz OLHSWWWQOGSSBY-QFIPXVFZSA-N 0 0 430.552 4.465 50 0 IIAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026966 569090133 /nfs/dbraw/zinc/09/01/33/569090133.db2.gz KDQAWPHXHYPPOA-UHFFFAOYSA-N 0 0 439.559 4.221 50 0 IIAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)Nc4ccccc4C)nn3)CC2)c1 ZINC000065026131 569091002 /nfs/dbraw/zinc/09/10/02/569091002.db2.gz MVFQYCGHJVBCFD-UHFFFAOYSA-N 0 0 433.581 4.151 50 0 IIAARN Cc1noc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)c1C ZINC000065031279 569091428 /nfs/dbraw/zinc/09/14/28/569091428.db2.gz HHZIYGYUZXPWFE-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)N1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000169755636 569093458 /nfs/dbraw/zinc/09/34/58/569093458.db2.gz MUPUMIFOBMSCKF-UHFFFAOYSA-N 0 0 433.943 4.493 50 0 IIAARN COc1ccc(OC)c([C@@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)c1 ZINC000169758083 569094294 /nfs/dbraw/zinc/09/42/94/569094294.db2.gz XMJXOCOGHKWAPK-QHCPKHFHSA-N 0 0 433.508 4.037 50 0 IIAARN CCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059843 569095679 /nfs/dbraw/zinc/09/56/79/569095679.db2.gz RJZYEOVIIKTFNG-UHFFFAOYSA-N 0 0 439.537 4.431 50 0 IIAARN CCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059837 569095681 /nfs/dbraw/zinc/09/56/81/569095681.db2.gz CMFBHVDJVITOFY-UHFFFAOYSA-N 0 0 445.928 4.468 50 0 IIAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000036390446 569096676 /nfs/dbraw/zinc/09/66/76/569096676.db2.gz TUEMBVIPMIERTC-FRRDWIJNSA-N 0 0 433.268 4.039 50 0 IIAARN C[C@H](C(=O)Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062112 569097095 /nfs/dbraw/zinc/09/70/95/569097095.db2.gz MRSZNOHDHYLJHC-LBPRGKRZSA-N 0 0 430.954 4.216 50 0 IIAARN O=c1oc2ccccc2n1CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000036391284 569097173 /nfs/dbraw/zinc/09/71/73/569097173.db2.gz ZHEIPSOXFGWSHL-UHFFFAOYSA-N 0 0 429.505 4.089 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(CC)[C@@H]2CCCCCN2C3=O)c1 ZINC000169766345 569097555 /nfs/dbraw/zinc/09/75/55/569097555.db2.gz SBDAEXXQWPYCSY-QFIPXVFZSA-N 0 0 435.524 4.298 50 0 IIAARN C[C@H](Sc1nncs1)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000036397848 569100916 /nfs/dbraw/zinc/10/09/16/569100916.db2.gz AZQIHYQNBIESJU-AWEZNQCLSA-N 0 0 448.614 4.231 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)sc12 ZINC000065081389 569101447 /nfs/dbraw/zinc/10/14/47/569101447.db2.gz XEQTXJVHKQVBCU-SFHVURJKSA-N 0 0 449.555 4.462 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4Cl)ccn3n2)c(C)c1 ZINC000169775704 569101845 /nfs/dbraw/zinc/10/18/45/569101845.db2.gz KGXPGCKPCLKMFG-UHFFFAOYSA-N 0 0 438.890 4.002 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Sc3ccccc3)CC2)cc1 ZINC000065081662 569102051 /nfs/dbraw/zinc/10/20/51/569102051.db2.gz FAQQCUWXGJJLAO-UHFFFAOYSA-N 0 0 434.565 4.169 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccccc3C)c2-c2ccncc2)cc1OC ZINC000065083290 569102215 /nfs/dbraw/zinc/10/22/15/569102215.db2.gz QIXMBWMGQYBQKG-KRWDZBQOSA-N 0 0 443.507 4.146 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(C)cc1)CO2 ZINC000065082662 569102384 /nfs/dbraw/zinc/10/23/84/569102384.db2.gz DSMOTVHMYAJOSH-HXUWFJFHSA-N 0 0 430.504 4.123 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000065085310 569102793 /nfs/dbraw/zinc/10/27/93/569102793.db2.gz JFAOALOVKIYDOC-UHFFFAOYSA-N 0 0 429.519 4.318 50 0 IIAARN CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)nc3ccccc3n12 ZINC000065096455 569103506 /nfs/dbraw/zinc/10/35/06/569103506.db2.gz KZBWQMGZECKEQM-UHFFFAOYSA-N 0 0 445.504 4.433 50 0 IIAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)c1 ZINC000065096726 569103700 /nfs/dbraw/zinc/10/37/00/569103700.db2.gz XHDMAVUYIGAMSG-DEOSSOPVSA-N 0 0 430.504 4.154 50 0 IIAARN O=S(=O)(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(Br)cc1 ZINC000207967637 569104230 /nfs/dbraw/zinc/10/42/30/569104230.db2.gz BTRYQTORHWBKFL-MRXNPFEDSA-N 0 0 444.397 4.132 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100010 569104939 /nfs/dbraw/zinc/10/49/39/569104939.db2.gz RUWURYPHMMKVIP-UHFFFAOYSA-N 0 0 444.879 4.055 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099475 569105181 /nfs/dbraw/zinc/10/51/81/569105181.db2.gz DSOGHDSDNOBSAZ-UHFFFAOYSA-N 0 0 448.552 4.105 50 0 IIAARN CSc1cccc(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115833 569106967 /nfs/dbraw/zinc/10/69/67/569106967.db2.gz KFZHGEHBEGCQSF-UHFFFAOYSA-N 0 0 431.539 4.440 50 0 IIAARN CCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCCOC)c(=O)c32)c1 ZINC000065113524 569108464 /nfs/dbraw/zinc/10/84/64/569108464.db2.gz FYEIANGYXRWPEY-UHFFFAOYSA-N 0 0 444.535 4.103 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)CC[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000065136870 569110449 /nfs/dbraw/zinc/11/04/49/569110449.db2.gz XMPCDHOZZMBSGN-JOCHJYFZSA-N 0 0 434.584 4.368 50 0 IIAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)nc12 ZINC000065151026 569111631 /nfs/dbraw/zinc/11/16/31/569111631.db2.gz TUVHJPRVQWDEJH-UHFFFAOYSA-N 0 0 447.564 4.169 50 0 IIAARN COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)cc3OC)c(-c3ccncc3)n2)cc1 ZINC000065153961 569112213 /nfs/dbraw/zinc/11/22/13/569112213.db2.gz HLPQAAFPDJGOGL-UHFFFAOYSA-N 0 0 442.475 4.484 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1 ZINC000065165268 569112976 /nfs/dbraw/zinc/11/29/76/569112976.db2.gz WCOQALQBWMXFEB-UHFFFAOYSA-N 0 0 433.581 4.076 50 0 IIAARN COc1ccc(NC(=O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000065184113 569113962 /nfs/dbraw/zinc/11/39/62/569113962.db2.gz FBFLQKGZOYTVEE-UHFFFAOYSA-N 0 0 426.904 4.217 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3cc(F)cc(F)c3)cccn12 ZINC000065185308 569114231 /nfs/dbraw/zinc/11/42/31/569114231.db2.gz DVLHGPLTMQXNLG-UHFFFAOYSA-N 0 0 428.464 4.020 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3cccc(Cl)c3)cccn12 ZINC000065185326 569114290 /nfs/dbraw/zinc/11/42/90/569114290.db2.gz APOQBNBENNXKON-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)c1 ZINC000065178325 569114423 /nfs/dbraw/zinc/11/44/23/569114423.db2.gz QZMOUGCDDNGUCN-UHFFFAOYSA-N 0 0 449.576 4.249 50 0 IIAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)Cc4cccs4)C3)cc2)CC1 ZINC000065178939 569114628 /nfs/dbraw/zinc/11/46/28/569114628.db2.gz QHMJKUBTTHFAJN-FQEVSTJZSA-N 0 0 440.609 4.480 50 0 IIAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3cccc(Cl)c3)cn12 ZINC000065199314 569115095 /nfs/dbraw/zinc/11/50/95/569115095.db2.gz WADAYQWLJMKHRZ-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000065194982 569115315 /nfs/dbraw/zinc/11/53/15/569115315.db2.gz CNLHTGLTRORKEB-UHFFFAOYSA-N 0 0 448.454 4.006 50 0 IIAARN Cc1nc2cc(N3C[C@@H](C(=O)Nc4ccc(Br)c(C)c4)CC3=O)ccc2o1 ZINC000065195697 569115529 /nfs/dbraw/zinc/11/55/29/569115529.db2.gz SDQSXAHSFLQQQH-ZDUSSCGKSA-N 0 0 428.286 4.199 50 0 IIAARN CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(N3CCCCCC3)o2)cc1 ZINC000065209247 569116058 /nfs/dbraw/zinc/11/60/58/569116058.db2.gz MKDZJYUMSLXDOC-QFIPXVFZSA-N 0 0 433.556 4.230 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CCN(C(=O)c3ccccc3)C4)CC2)cc1 ZINC000065201248 569116236 /nfs/dbraw/zinc/11/62/36/569116236.db2.gz QQPXDEWEQZZZMO-UHFFFAOYSA-N 0 0 445.588 4.217 50 0 IIAARN COc1ccccc1CNC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000065211629 569116652 /nfs/dbraw/zinc/11/66/52/569116652.db2.gz PVPUMELQFSIBGP-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN O=C(NCc1ccc(F)cc1F)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211676 569116688 /nfs/dbraw/zinc/11/66/88/569116688.db2.gz GOXJSWJJQMSHDK-UHFFFAOYSA-N 0 0 448.926 4.331 50 0 IIAARN Cc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2cccc(Cl)c2)s1 ZINC000065217361 569117016 /nfs/dbraw/zinc/11/70/16/569117016.db2.gz DJQREFCDAAVRHE-UHFFFAOYSA-N 0 0 432.958 4.039 50 0 IIAARN CCc1nn2c(CNS(=O)(=O)c3ccccc3CC)c(-c3ccccc3)nc2s1 ZINC000065217437 569117133 /nfs/dbraw/zinc/11/71/33/569117133.db2.gz ZDHBCTKJVZJJEX-UHFFFAOYSA-N 0 0 426.567 4.061 50 0 IIAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2ccc(Cl)cc2)s1 ZINC000065217441 569117172 /nfs/dbraw/zinc/11/71/72/569117172.db2.gz JSLNGAIEQUFQBY-UHFFFAOYSA-N 0 0 446.985 4.293 50 0 IIAARN O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000065220408 569117303 /nfs/dbraw/zinc/11/73/03/569117303.db2.gz RSWLTUJNCWZHBB-UHFFFAOYSA-N 0 0 441.865 4.099 50 0 IIAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065219155 569117403 /nfs/dbraw/zinc/11/74/03/569117403.db2.gz ZDPLBYPAYJMYEY-NSHDSACASA-N 0 0 442.884 4.469 50 0 IIAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227935 569117606 /nfs/dbraw/zinc/11/76/06/569117606.db2.gz DDLHLEHVVDYIFQ-HXUWFJFHSA-N 0 0 431.540 4.240 50 0 IIAARN O=C(NCc1cccc(Br)c1)C1CCN(c2nnc(-c3ccccc3)o2)CC1 ZINC000065229463 569118142 /nfs/dbraw/zinc/11/81/42/569118142.db2.gz GPIXVXCMVCQVPX-UHFFFAOYSA-N 0 0 441.329 4.032 50 0 IIAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000065229810 569118260 /nfs/dbraw/zinc/11/82/60/569118260.db2.gz LMYPLFQUVFYVSD-UHFFFAOYSA-N 0 0 434.540 4.401 50 0 IIAARN COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1F ZINC000065232347 569118980 /nfs/dbraw/zinc/11/89/80/569118980.db2.gz BGZCUBWDGBWVAM-UHFFFAOYSA-N 0 0 444.507 4.168 50 0 IIAARN C=C1C(N2CCCN(C(=O)[C@H](C)CCCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239549 569120662 /nfs/dbraw/zinc/12/06/62/569120662.db2.gz YUIAZDDEPGXWHO-GOSISDBHSA-N 0 0 445.629 4.083 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)NCc2ccc(Cl)c(Cl)c2)C1=O ZINC000036601411 569121794 /nfs/dbraw/zinc/12/17/94/569121794.db2.gz KEETXNQOGXQLRT-SCLBCKFNSA-N 0 0 434.323 4.276 50 0 IIAARN O=C(Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1ccc(Br)cc1 ZINC000065250363 569122128 /nfs/dbraw/zinc/12/21/28/569122128.db2.gz BXSOIEZHWZUCOE-UHFFFAOYSA-N 0 0 442.248 4.140 50 0 IIAARN C[C@H](NC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)c1ccc(F)cc1 ZINC000065250997 569122157 /nfs/dbraw/zinc/12/21/57/569122157.db2.gz RZZTYSBQSIRQGX-AWEZNQCLSA-N 0 0 434.475 4.245 50 0 IIAARN COc1cccc(NC(=O)c2cn(-c3ncccc3-c3nc(-c4ccccc4)no3)cn2)c1 ZINC000065250784 569122182 /nfs/dbraw/zinc/12/21/82/569122182.db2.gz RMSHSXXDIDNIMR-UHFFFAOYSA-N 0 0 438.447 4.245 50 0 IIAARN CCn1cnc2c1c(=O)n(Cc1c(C)cc(C(C)(C)C)cc1C)c(=O)n2Cc1ccccc1 ZINC000013131286 569125312 /nfs/dbraw/zinc/12/53/12/569125312.db2.gz RQGQNVXSXVCPGJ-UHFFFAOYSA-N 0 0 444.579 4.391 50 0 IIAARN COc1cc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000524731216 569126482 /nfs/dbraw/zinc/12/64/82/569126482.db2.gz OEOOKLCEBFPKDS-QHCPKHFHSA-N 0 0 445.519 4.212 50 0 biogenic IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCO3)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731945 569126611 /nfs/dbraw/zinc/12/66/11/569126611.db2.gz QCMHPOPZIMWFCI-QHCPKHFHSA-N 0 0 443.503 4.226 50 0 biogenic IIAARN CC[C@H](C)[C@H](NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1)c1nc2ccccc2[nH]1 ZINC000524732360 569126819 /nfs/dbraw/zinc/12/68/19/569126819.db2.gz UDLMKTYYDRSGOS-HJPURHCSSA-N 0 0 430.508 4.347 50 0 IIAARN C[C@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000036645805 569130289 /nfs/dbraw/zinc/13/02/89/569130289.db2.gz MWORPVTVFHDXID-HOTGVXAUSA-N 0 0 431.581 4.346 50 0 IIAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(N2CCC(C)CC2)n1C1CC1)c1ccc(F)cc1 ZINC000036645808 569130348 /nfs/dbraw/zinc/13/03/48/569130348.db2.gz MWORPVTVFHDXID-CVEARBPZSA-N 0 0 431.581 4.346 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)N[C@H](C)c4ccc(C)cc4)nc32)cc1 ZINC000065293952 569130984 /nfs/dbraw/zinc/13/09/84/569130984.db2.gz FFQRNDVFLUGVMZ-MRXNPFEDSA-N 0 0 449.580 4.421 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccn3c(c2)nnc3-c2ccccc2)CC1 ZINC000065296045 569131487 /nfs/dbraw/zinc/13/14/87/569131487.db2.gz JAFZFPCDSANENA-UHFFFAOYSA-N 0 0 431.927 4.321 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4ccccc4C)CC3)sc12 ZINC000065296954 569131554 /nfs/dbraw/zinc/13/15/54/569131554.db2.gz DBUPFNQPLMLJNU-UHFFFAOYSA-N 0 0 435.528 4.200 50 0 IIAARN O=C(NCc1ccc(Br)cc1)c1ccn2c(c1)nnc2-c1cc(F)cc(F)c1 ZINC000065296496 569131584 /nfs/dbraw/zinc/13/15/84/569131584.db2.gz JMPXONHZLXBKTH-UHFFFAOYSA-N 0 0 443.251 4.367 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCN(C(=O)c4ccccc4F)CC3)sc12 ZINC000065297271 569131698 /nfs/dbraw/zinc/13/16/98/569131698.db2.gz JVTIIGZLQZPMIC-UHFFFAOYSA-N 0 0 435.528 4.200 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)c4ccccc4F)CC3)sc12 ZINC000065297052 569131739 /nfs/dbraw/zinc/13/17/39/569131739.db2.gz QYFPWVCNFPVCQT-UHFFFAOYSA-N 0 0 435.528 4.200 50 0 IIAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000065297701 569131903 /nfs/dbraw/zinc/13/19/03/569131903.db2.gz ULIREGCTDHBRQT-UHFFFAOYSA-N 0 0 436.581 4.234 50 0 IIAARN O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700357 569135294 /nfs/dbraw/zinc/13/52/94/569135294.db2.gz WBGZEABEKPQTBZ-IBGZPJMESA-N 0 0 443.396 4.125 50 0 IIAARN CCc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000065315106 569135660 /nfs/dbraw/zinc/13/56/60/569135660.db2.gz QVISWFGBNWFBEN-UHFFFAOYSA-N 0 0 429.586 4.170 50 0 IIAARN O=C(NCc1cccnc1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000065315042 569135723 /nfs/dbraw/zinc/13/57/23/569135723.db2.gz HMBCAACWGUJIRP-UHFFFAOYSA-N 0 0 434.927 4.497 50 0 IIAARN Cc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000065315149 569135823 /nfs/dbraw/zinc/13/58/23/569135823.db2.gz PKMXAMXGGRQUFA-UHFFFAOYSA-N 0 0 435.977 4.261 50 0 IIAARN COc1ccccc1NC(=O)CN1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000036708933 569136135 /nfs/dbraw/zinc/13/61/35/569136135.db2.gz LYJWCZHZPYPGJW-UHFFFAOYSA-N 0 0 446.473 4.414 50 0 IIAARN Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3nc(-c4ccco4)cs3)CC2)c(C)c1 ZINC000036709247 569136198 /nfs/dbraw/zinc/13/61/98/569136198.db2.gz AOFJQPQQXJQFFI-UHFFFAOYSA-N 0 0 438.553 4.309 50 0 IIAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1 ZINC000036847992 569138384 /nfs/dbraw/zinc/13/83/84/569138384.db2.gz JNQGAVPOLYCUQL-IRXDYDNUSA-N 0 0 439.585 4.099 50 0 IIAARN O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000065548150 569139539 /nfs/dbraw/zinc/13/95/39/569139539.db2.gz UDDPLMHRGRAIDL-UHFFFAOYSA-N 0 0 432.249 4.274 50 0 IIAARN Cc1cc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)c(Cl)cc1Cl ZINC000239846373 569140011 /nfs/dbraw/zinc/14/00/11/569140011.db2.gz LCSHAOIITWCBJV-KRWDZBQOSA-N 0 0 432.350 4.171 50 0 IIAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1Br)N1C(=S)N=NC1c1cccs1 ZINC000065575490 569139756 /nfs/dbraw/zinc/13/97/56/569139756.db2.gz QREBHUMHYKFXHI-WDEREUQCSA-N 0 0 437.388 4.496 50 0 IIAARN O=C(NCC1(c2cccc(Br)c2)CCC1)c1csc(-c2ncccn2)n1 ZINC000065576512 569139870 /nfs/dbraw/zinc/13/98/70/569139870.db2.gz XKYGWZCQWOCWNO-UHFFFAOYSA-N 0 0 429.343 4.214 50 0 IIAARN CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 ZINC000037170599 569140597 /nfs/dbraw/zinc/14/05/97/569140597.db2.gz BMFDHFYXECIVSG-QZTJIDSGSA-N 0 0 441.578 4.034 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)s2)cc1F ZINC000170595105 569141386 /nfs/dbraw/zinc/14/13/86/569141386.db2.gz LCWBIBLNGADWNJ-FQEVSTJZSA-N 0 0 438.528 4.277 50 0 IIAARN CC(C)c1csc2[nH]c([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc(=O)c12 ZINC000170596419 569141880 /nfs/dbraw/zinc/14/18/80/569141880.db2.gz BWUYAQMVANBARO-LLVKDONJSA-N 0 0 432.343 4.391 50 0 IIAARN C[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606029 569143901 /nfs/dbraw/zinc/14/39/01/569143901.db2.gz UQQWFCSWCNVVSX-LIRRHRJNSA-N 0 0 427.346 4.319 50 0 IIAARN COc1ccccc1[C@@H]1S[C@@H](C)C(=O)N1CCN(C(=O)c1cccc(F)c1)C(C)C ZINC000037264220 569144103 /nfs/dbraw/zinc/14/41/03/569144103.db2.gz NFECXSQPYIAARW-HJPURHCSSA-N 0 0 430.545 4.348 50 0 IIAARN Cc1sc(C(N)=O)cc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 ZINC000170609175 569144648 /nfs/dbraw/zinc/14/46/48/569144648.db2.gz YHUSBHVBNXUKFN-JTQLQIEISA-N 0 0 432.489 4.168 50 0 IIAARN CCCC(=O)N1CCC[C@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)C1 ZINC000170611533 569145262 /nfs/dbraw/zinc/14/52/62/569145262.db2.gz KZUUPYOOMOBXMN-JTQLQIEISA-N 0 0 428.327 4.175 50 0 IIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccn([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000170611540 569145279 /nfs/dbraw/zinc/14/52/79/569145279.db2.gz VGGUARSXOYETDA-DOTOQJQBSA-N 0 0 432.496 4.000 50 0 IIAARN COc1cccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc21 ZINC000170612694 569145927 /nfs/dbraw/zinc/14/59/27/569145927.db2.gz JQGSDTKKTHTWAY-GOSISDBHSA-N 0 0 429.929 4.316 50 0 IIAARN Cc1ccc([C@H]2c3cc(O[C@H](C)C(=O)NCC(C)C)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037280955 569146031 /nfs/dbraw/zinc/14/60/31/569146031.db2.gz NBDOCTWLJVFFRU-CLOONOSVSA-N 0 0 434.580 4.419 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccsc3)[C@@H](c3ccccc3)C2)c1 ZINC000170612503 569146057 /nfs/dbraw/zinc/14/60/57/569146057.db2.gz MFGPZZYVGQNHEG-HXUWFJFHSA-N 0 0 425.535 4.111 50 0 IIAARN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000170614877 569146526 /nfs/dbraw/zinc/14/65/26/569146526.db2.gz PGAZNRQEFXVVRV-UHFFFAOYSA-N 0 0 441.427 4.324 50 0 IIAARN Cc1nccn1-c1ccc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cc1F ZINC000170618552 569147126 /nfs/dbraw/zinc/14/71/26/569147126.db2.gz XTQPCMLYFMHUPG-UHFFFAOYSA-N 0 0 431.386 4.365 50 0 IIAARN NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1N1CCCCC1 ZINC000170617485 569147490 /nfs/dbraw/zinc/14/74/90/569147490.db2.gz DYLSXWLNSDHVCG-UHFFFAOYSA-N 0 0 447.560 4.148 50 0 IIAARN COc1cc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3S(C)(=O)=O)cc2c(OC)c1 ZINC000170619980 569147510 /nfs/dbraw/zinc/14/75/10/569147510.db2.gz XZLKYPSVPSAKOY-IBGZPJMESA-N 0 0 445.928 4.016 50 0 IIAARN O=S(=O)(c1cccc(F)c1)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 ZINC000170618921 569147513 /nfs/dbraw/zinc/14/75/13/569147513.db2.gz WIXMMMSHADGXRA-NRFANRHFSA-N 0 0 438.509 4.370 50 0 IIAARN CCCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000170623761 569148324 /nfs/dbraw/zinc/14/83/24/569148324.db2.gz MPZTWMAMCYDYKC-UHFFFAOYSA-N 0 0 443.521 4.231 50 0 IIAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1 ZINC000170623964 569148416 /nfs/dbraw/zinc/14/84/16/569148416.db2.gz UVEFDXLQFLGIDV-UHFFFAOYSA-N 0 0 432.586 4.118 50 0 IIAARN Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1F ZINC000170629801 569148859 /nfs/dbraw/zinc/14/88/59/569148859.db2.gz WHQHNYFQHOAJSP-UHFFFAOYSA-N 0 0 442.491 4.283 50 0 IIAARN COc1ccc(-c2noc(-c3nnn(-c4ccc(C(F)(F)F)c(Cl)c4)c3N)n2)cc1 ZINC000009908797 569150562 /nfs/dbraw/zinc/15/05/62/569150562.db2.gz VPNFNUKVNJKRAC-UHFFFAOYSA-N 0 0 436.781 4.247 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)c2c1 ZINC000071287815 569150903 /nfs/dbraw/zinc/15/09/03/569150903.db2.gz ACHFMKJBJSXBRQ-UHFFFAOYSA-N 0 0 439.519 4.406 50 0 IIAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1nnc2ccccn21 ZINC000010079629 569152595 /nfs/dbraw/zinc/15/25/95/569152595.db2.gz BJIYLQOSQCNEJQ-UHFFFAOYSA-N 0 0 437.503 4.343 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1OC ZINC000010219975 569152807 /nfs/dbraw/zinc/15/28/07/569152807.db2.gz QZQHPMTWKFTBPZ-CQSZACIVSA-N 0 0 448.541 4.080 50 0 IIAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000010218611 569153494 /nfs/dbraw/zinc/15/34/94/569153494.db2.gz ZFICZZGGDJKEKP-UHFFFAOYSA-N 0 0 439.537 4.116 50 0 IIAARN CC(=O)N(c1nc(COC(=O)CCc2nc(C(C)C)no2)cs1)c1ccccc1F ZINC000071821962 569154632 /nfs/dbraw/zinc/15/46/32/569154632.db2.gz ICBSUORUUKRBKH-UHFFFAOYSA-N 0 0 432.477 4.149 50 0 IIAARN O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000071819892 569154661 /nfs/dbraw/zinc/15/46/61/569154661.db2.gz LVDLIFNPHDMFRB-KRWDZBQOSA-N 0 0 443.532 4.244 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 ZINC000013295964 569154866 /nfs/dbraw/zinc/15/48/66/569154866.db2.gz WLWOMMNSNPIIBI-KRWDZBQOSA-N 0 0 439.541 4.472 50 0 IIAARN O=C(COC(=O)[C@H]1CS[C@@H](c2cccc3[nH]ccc32)N1)c1ccc(Br)cc1 ZINC000013573171 569155802 /nfs/dbraw/zinc/15/58/02/569155802.db2.gz GEYWNGOHJBGSOH-MJGOQNOKSA-N 0 0 445.338 4.060 50 0 IIAARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000013603116 569156281 /nfs/dbraw/zinc/15/62/81/569156281.db2.gz ZRSPTCBGAUHOOW-MOSHPQCFSA-N 0 0 426.314 4.092 50 0 IIAARN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000014389896 569159021 /nfs/dbraw/zinc/15/90/21/569159021.db2.gz WLDKYXNPWWHILV-GOSISDBHSA-N 0 0 444.915 4.146 50 0 IIAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000014428030 569159110 /nfs/dbraw/zinc/15/91/10/569159110.db2.gz AKKGFYPEUUGFPT-IAGOWNOFSA-N 0 0 444.597 4.485 50 0 IIAARN Cc1csc(N(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2)n1 ZINC000014586909 569159381 /nfs/dbraw/zinc/15/93/81/569159381.db2.gz KTBNOZDESSPYRR-UHFFFAOYSA-N 0 0 447.607 4.279 50 0 IIAARN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccco1 ZINC000089646816 569160432 /nfs/dbraw/zinc/16/04/32/569160432.db2.gz HZJOMTAVHMSDKJ-SFHVURJKSA-N 0 0 432.398 4.323 50 0 IIAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1 ZINC000016838873 569162920 /nfs/dbraw/zinc/16/29/20/569162920.db2.gz RSKPDICUONCKOD-UHFFFAOYSA-N 0 0 438.503 4.232 50 0 IIAARN O=c1c2sccc2nc(SCc2nc(-c3ccccn3)no2)n1-c1ccc(F)cc1 ZINC000016843057 569163575 /nfs/dbraw/zinc/16/35/75/569163575.db2.gz PQSMJEAYAPAYEB-UHFFFAOYSA-N 0 0 437.481 4.324 50 0 IIAARN CC(C)N(CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1)Cc1ccco1 ZINC000016843683 569163731 /nfs/dbraw/zinc/16/37/31/569163731.db2.gz XJRCFFMGQYWMPY-UHFFFAOYSA-N 0 0 448.976 4.019 50 0 IIAARN COc1ccccc1-c1ccc(=O)n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000016845944 569163880 /nfs/dbraw/zinc/16/38/80/569163880.db2.gz LUDBIIJMELBUET-UHFFFAOYSA-N 0 0 428.370 4.036 50 0 IIAARN COc1ccc(OC)c(Nc2nc(CC(=O)NCCc3c[nH]c4ccccc34)cs2)c1 ZINC000016850268 569164619 /nfs/dbraw/zinc/16/46/19/569164619.db2.gz IYQFJLHFROUHAI-UHFFFAOYSA-N 0 0 436.537 4.287 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000089813138 569165141 /nfs/dbraw/zinc/16/51/41/569165141.db2.gz CLEHJYFYRBMXPC-UHFFFAOYSA-N 0 0 447.922 4.001 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000016890474 569165459 /nfs/dbraw/zinc/16/54/59/569165459.db2.gz VBSXZBFWHCNJDK-UHFFFAOYSA-N 0 0 428.901 4.188 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891252 569165762 /nfs/dbraw/zinc/16/57/62/569165762.db2.gz XUSVATLRTSCCDN-YADARESESA-N 0 0 435.593 4.439 50 0 IIAARN COc1cc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC ZINC000016943484 569166794 /nfs/dbraw/zinc/16/67/94/569166794.db2.gz OXTUMODQWGZGSU-UHFFFAOYSA-N 0 0 438.461 4.195 50 0 IIAARN C[C@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1nc2ccccc2[nH]1 ZINC000089904479 569167080 /nfs/dbraw/zinc/16/70/80/569167080.db2.gz TVAMCAGTAYJOPB-MGPLVRAMSA-N 0 0 434.443 4.262 50 0 IIAARN C[C@H](NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000089905131 569167159 /nfs/dbraw/zinc/16/71/59/569167159.db2.gz FFKXJTWHUHCRMV-NRFANRHFSA-N 0 0 443.591 4.230 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000016992080 569169659 /nfs/dbraw/zinc/16/96/59/569169659.db2.gz AVVMHDCNCLHUQU-UHFFFAOYSA-N 0 0 435.883 4.348 50 0 IIAARN COc1cc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC ZINC000016992094 569169689 /nfs/dbraw/zinc/16/96/89/569169689.db2.gz PMMPHUQOIKBNGG-UHFFFAOYSA-N 0 0 430.501 4.256 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983416 569170054 /nfs/dbraw/zinc/17/00/54/569170054.db2.gz DJURONQPGJEVMH-LJQANCHMSA-N 0 0 443.462 4.242 50 0 IIAARN Cc1cc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)ccc1Br ZINC000017011086 569170338 /nfs/dbraw/zinc/17/03/38/569170338.db2.gz QQSRAIVSSBWHIZ-UHFFFAOYSA-N 0 0 446.301 4.460 50 0 IIAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000017013065 569170575 /nfs/dbraw/zinc/17/05/75/569170575.db2.gz ZUNNRDJODOVOJN-UHFFFAOYSA-N 0 0 431.540 4.327 50 0 IIAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013910 569170872 /nfs/dbraw/zinc/17/08/72/569170872.db2.gz ZSJQLESNQJPSEL-UHFFFAOYSA-N 0 0 441.532 4.459 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c(C)c1 ZINC000017025833 569170926 /nfs/dbraw/zinc/17/09/26/569170926.db2.gz NLDCWKQBXRWPEI-UHFFFAOYSA-N 0 0 437.590 4.287 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000037355793 569171003 /nfs/dbraw/zinc/17/10/03/569171003.db2.gz QRYIUWOKNTWICJ-MRXNPFEDSA-N 0 0 440.906 4.341 50 0 IIAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1OC ZINC000017053094 569172016 /nfs/dbraw/zinc/17/20/16/569172016.db2.gz RITWPTPRNZVEKD-UHFFFAOYSA-N 0 0 446.594 4.274 50 0 IIAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncn2)ccc1Cl ZINC000037356743 569172737 /nfs/dbraw/zinc/17/27/37/569172737.db2.gz QIFVQDMREVTLHI-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F ZINC000017149705 569174920 /nfs/dbraw/zinc/17/49/20/569174920.db2.gz QWCSVFJMPNECOC-QGZVFWFLSA-N 0 0 425.453 4.110 50 0 IIAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 ZINC000000936936 569176280 /nfs/dbraw/zinc/17/62/80/569176280.db2.gz AZFOPDAQIAUVBW-QHCPKHFHSA-N 0 0 438.491 4.180 50 0 IIAARN COc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1 ZINC000002079170 569177098 /nfs/dbraw/zinc/17/70/98/569177098.db2.gz RFMXNXCPSAJIBT-JOCHJYFZSA-N 0 0 425.525 4.173 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-n3cnnc3)ccc1Cl)CCCC2 ZINC000002871142 569177499 /nfs/dbraw/zinc/17/74/99/569177499.db2.gz FKWHRPCPTQTHDH-UHFFFAOYSA-N 0 0 430.917 4.290 50 0 IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000002094008 569179067 /nfs/dbraw/zinc/17/90/67/569179067.db2.gz QINPNZMGLXVXFW-CRAIPNDOSA-N 0 0 438.789 4.158 50 0 IIAARN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000170639191 569179562 /nfs/dbraw/zinc/17/95/62/569179562.db2.gz JUELKXHOLNAZSD-OAHLLOKOSA-N 0 0 429.517 4.105 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@]12Nc1ccccc1-c1nc(-c3ccccc3)nn12 ZINC000170640360 569180189 /nfs/dbraw/zinc/18/01/89/569180189.db2.gz UUAZHERCXKOESB-JOCHJYFZSA-N 0 0 444.292 4.453 50 0 IIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002108005 569181314 /nfs/dbraw/zinc/18/13/14/569181314.db2.gz PLVSHNDWAQZVEA-QHCPKHFHSA-N 0 0 427.456 4.295 50 0 biogenic IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1cccnc1)nc2-c1cccc(F)c1 ZINC000037361095 569181557 /nfs/dbraw/zinc/18/15/57/569181557.db2.gz ZGGIBYLISWRRLP-UHFFFAOYSA-N 0 0 425.471 4.270 50 0 IIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@H](C)CC)CC(=O)N21 ZINC000002108965 569181796 /nfs/dbraw/zinc/18/17/96/569181796.db2.gz BNTTYFAVKISXRJ-RQYMNKHTSA-N 0 0 431.536 4.050 50 0 biogenic IIAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000027160537 569182655 /nfs/dbraw/zinc/18/26/55/569182655.db2.gz QJIWUOAHXJNNHX-UHFFFAOYSA-N 0 0 449.504 4.071 50 0 IIAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3cccs3)CC(=O)N12 ZINC000002122787 569183535 /nfs/dbraw/zinc/18/35/35/569183535.db2.gz VXXKZDHWEPJDKR-WIOPSUGQSA-N 0 0 441.556 4.423 50 0 biogenic IIAARN COc1cccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000001187897 569185529 /nfs/dbraw/zinc/18/55/29/569185529.db2.gz LARWFTASYLCLDB-MRXNPFEDSA-N 0 0 446.787 4.037 50 0 IIAARN CCCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002150638 569187324 /nfs/dbraw/zinc/18/73/24/569187324.db2.gz QKJMEKWDRIFKKI-WIOPSUGQSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN Cc1cc(OC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002155845 569187571 /nfs/dbraw/zinc/18/75/71/569187571.db2.gz LPRIHYKIZCTHNW-HXUWFJFHSA-N 0 0 447.487 4.297 50 0 IIAARN CC(C)[C@](C)(O)c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000252496662 569187935 /nfs/dbraw/zinc/18/79/35/569187935.db2.gz PODOHOKUOIJSJG-LIRRHRJNSA-N 0 0 445.438 4.446 50 0 IIAARN CS(=O)(=O)Nc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)c1cccs1 ZINC000252503769 569188116 /nfs/dbraw/zinc/18/81/16/569188116.db2.gz VGUJWSOVQSNIFR-LJQANCHMSA-N 0 0 443.525 4.250 50 0 IIAARN CC(C)(C)c1csc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000252527667 569189561 /nfs/dbraw/zinc/18/95/61/569189561.db2.gz DDASJMRKSZDSSR-CQSZACIVSA-N 0 0 434.949 4.138 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)NC(C)(C)C)C(C)C)c2)cc1 ZINC000037399779 569194661 /nfs/dbraw/zinc/19/46/61/569194661.db2.gz NRMIKFYROYAVBB-UHFFFAOYSA-N 0 0 434.558 4.181 50 0 IIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)C1CCC1 ZINC000037399851 569194705 /nfs/dbraw/zinc/19/47/05/569194705.db2.gz OEJHITLXGLSWDW-QGZVFWFLSA-N 0 0 431.554 4.390 50 0 IIAARN CC(C)CN(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccco1 ZINC000037400582 569194948 /nfs/dbraw/zinc/19/49/48/569194948.db2.gz JETCIEHOPFXILN-UHFFFAOYSA-N 0 0 431.485 4.485 50 0 IIAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)NC(C)C ZINC000037401068 569195034 /nfs/dbraw/zinc/19/50/34/569195034.db2.gz NEKHTMROJAVFPB-KRWDZBQOSA-N 0 0 434.558 4.181 50 0 IIAARN Cc1cs/c(=N\C(=O)c2ccccc2Cl)n1Cc1ccccc1C(=O)NC1CC1 ZINC000037427976 569195913 /nfs/dbraw/zinc/19/59/13/569195913.db2.gz IKTCFLCTPCCNMG-LVWGJNHUSA-N 0 0 425.941 4.193 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)c2ccccc2Cl)c1 ZINC000037441850 569196935 /nfs/dbraw/zinc/19/69/35/569196935.db2.gz VYNDTPYCMOHFSI-UHFFFAOYSA-N 0 0 431.964 4.289 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccs1 ZINC000037443942 569197121 /nfs/dbraw/zinc/19/71/21/569197121.db2.gz RGVQKOIFRZJNKJ-OSWMTFESSA-N 0 0 436.581 4.207 50 0 IIAARN O=C(Cc1cccs1)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037524406 569198562 /nfs/dbraw/zinc/19/85/62/569198562.db2.gz CLFKUSQPQYYCCH-UHFFFAOYSA-N 0 0 433.577 4.006 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(OC)c2)C1 ZINC000037526176 569199094 /nfs/dbraw/zinc/19/90/94/569199094.db2.gz AONWMQRKEVWDAV-SFHVURJKSA-N 0 0 440.565 4.483 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2Cc2ccccc2OC)C1 ZINC000037526891 569199209 /nfs/dbraw/zinc/19/92/09/569199209.db2.gz YBVBKFHBWLOUTO-QGZVFWFLSA-N 0 0 426.538 4.175 50 0 IIAARN COc1cccc(CN(C)C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c1OC ZINC000007738035 569199755 /nfs/dbraw/zinc/19/97/55/569199755.db2.gz GPYBYOWSLPITST-SFHVURJKSA-N 0 0 425.554 4.109 50 0 IIAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2cccc(C)c2)cc1 ZINC000037546833 569200210 /nfs/dbraw/zinc/20/02/10/569200210.db2.gz MTQFVQANYFPDNK-UHFFFAOYSA-N 0 0 435.524 4.081 50 0 IIAARN CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@@H]1c1cccc(OC)c1OC ZINC000037575047 569201342 /nfs/dbraw/zinc/20/13/42/569201342.db2.gz JWAMFIFQGXOYMR-LJQANCHMSA-N 0 0 427.472 4.196 50 0 IIAARN CC(C)CN(C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000037613925 569203088 /nfs/dbraw/zinc/20/30/88/569203088.db2.gz UFAFYXURFRSYIA-OAQYLSRUSA-N 0 0 429.561 4.022 50 0 IIAARN COc1cc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc(OC)c1OC ZINC000002218536 569204241 /nfs/dbraw/zinc/20/42/41/569204241.db2.gz WOZKYTQFPHNDRZ-UHFFFAOYSA-N 0 0 431.876 4.377 50 0 IIAARN O=c1c(=Cc2ccc(O)cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252666045 569209568 /nfs/dbraw/zinc/20/95/68/569209568.db2.gz AIJLNCVELMDHTM-QHCPKHFHSA-N 0 0 442.565 4.086 50 0 IIAARN O=C(CSC1=NN2CCCC(=O)N=C2S1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003581459 569213287 /nfs/dbraw/zinc/21/32/87/569213287.db2.gz IWVIQYCMQTUAEG-UHFFFAOYSA-N 0 0 436.868 4.027 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Br)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002252857 569215028 /nfs/dbraw/zinc/21/50/28/569215028.db2.gz SRTIKDIIJOHJTE-LRDDRELGSA-N 0 0 437.359 4.297 50 0 IIAARN CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000015955297 569256858 /nfs/dbraw/zinc/25/68/58/569256858.db2.gz ZUZBFNNMSSNIBD-IZJXBPLLSA-N 0 0 427.541 4.057 50 0 biogenic IIAARN CCOC(=O)C1C(Nc2ccc(C)cc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000034896911 569257616 /nfs/dbraw/zinc/25/76/16/569257616.db2.gz KYSRVHAIFGMNEQ-SYVJQLTCSA-N 0 0 437.536 4.342 50 0 IIAARN CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H](OC(C)=O)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000039941912 569257815 /nfs/dbraw/zinc/25/78/15/569257815.db2.gz VNILAENJJRBBKT-TUEGAKKQSA-N 0 0 434.573 4.434 50 0 IIAARN COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000027528405 569263612 /nfs/dbraw/zinc/26/36/12/569263612.db2.gz AYNQBNAQDAKLNI-UHFFFAOYSA-N 0 0 449.894 4.047 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000253390686 569264277 /nfs/dbraw/zinc/26/42/77/569264277.db2.gz ULDQDYDKZYTNAJ-TUNNFDKTSA-N 0 0 449.576 4.127 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000253395417 569264574 /nfs/dbraw/zinc/26/45/74/569264574.db2.gz YGEBXSCWBYHBNN-PKTZIBPZSA-N 0 0 434.536 4.020 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000253407803 569265402 /nfs/dbraw/zinc/26/54/02/569265402.db2.gz KEVNEHMMUMZQQG-YADHBBJMSA-N 0 0 444.535 4.300 50 0 biogenic IIAARN O=C(Nc1cccc(N2CCNC2=O)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000253429287 569267628 /nfs/dbraw/zinc/26/76/28/569267628.db2.gz MQNZAGILVLPVOA-NRFANRHFSA-N 0 0 430.512 4.365 50 0 IIAARN Cc1cccc(NC(=O)c2c(N)n(-c3ccc4c(c3)OCO4)c3nc4ccccc4nc32)c1 ZINC000002290771 569267897 /nfs/dbraw/zinc/26/78/97/569267897.db2.gz XHVLYTHHWGKIIR-UHFFFAOYSA-N 0 0 437.459 4.445 50 0 IIAARN CCOC(=O)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)P(=O)(OCC)OCC ZINC000002295860 569268296 /nfs/dbraw/zinc/26/82/96/569268296.db2.gz LXGIPAWLWHYZQV-CYBMUJFWSA-N 0 0 427.221 4.270 50 0 IIAARN Cc1ccc([C@@H](NC(=O)CCc2cc(Br)cs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000253432944 569269331 /nfs/dbraw/zinc/26/93/31/569269331.db2.gz QBWGCSMXEDYRKX-UGSOOPFHSA-N 0 0 444.416 4.042 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CC(C)(C)OC3 ZINC000002316536 569272450 /nfs/dbraw/zinc/27/24/50/569272450.db2.gz SSQDZHGNPVZCIU-UHFFFAOYSA-N 0 0 426.567 4.367 50 0 IIAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002348873 569282038 /nfs/dbraw/zinc/28/20/38/569282038.db2.gz JDWIBMRYBUEBLI-UHFFFAOYSA-N 0 0 438.443 4.242 50 0 IIAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)c1ccc(Cl)cc1)CC(C)(C)OC3 ZINC000002349040 569282070 /nfs/dbraw/zinc/28/20/70/569282070.db2.gz NNKIFPPYZREGFZ-UHFFFAOYSA-N 0 0 443.956 4.291 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002362217 569287678 /nfs/dbraw/zinc/28/76/78/569287678.db2.gz NDDZUKLNQXNSNT-IEBWSBKVSA-N 0 0 443.551 4.097 50 0 IIAARN Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000027651672 569288613 /nfs/dbraw/zinc/28/86/13/569288613.db2.gz UGPUFPCMKBTTTA-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN O=C(Nc1ccccc1F)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F ZINC000522514459 569293816 /nfs/dbraw/zinc/29/38/16/569293816.db2.gz WFJUVWQBYZGYDP-FQEVSTJZSA-N 0 0 446.450 4.253 50 0 IIAARN CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002388306 569295824 /nfs/dbraw/zinc/29/58/24/569295824.db2.gz HIOXFOMHKPLWDG-LBPRGKRZSA-N 0 0 438.329 4.447 50 0 IIAARN Cc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000009704910 569297866 /nfs/dbraw/zinc/29/78/66/569297866.db2.gz CBDRTYJANATCHZ-MOSHPQCFSA-N 0 0 445.500 4.305 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1F ZINC000002395961 569298470 /nfs/dbraw/zinc/29/84/70/569298470.db2.gz USTXLYXZRATXOO-UHFFFAOYSA-N 0 0 445.829 4.201 50 0 IIAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N(C)CCO)n1 ZINC000002402162 569299655 /nfs/dbraw/zinc/29/96/55/569299655.db2.gz CIKKSNAABCIKPS-UHFFFAOYSA-N 0 0 432.615 4.365 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002413915 569301320 /nfs/dbraw/zinc/30/13/20/569301320.db2.gz IRIOLGPMUWUHSC-OXQOHEQNSA-N 0 0 425.868 4.179 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002414977 569301401 /nfs/dbraw/zinc/30/14/01/569301401.db2.gz OUKFKRBRVGFFMS-GOSISDBHSA-N 0 0 432.457 4.094 50 0 IIAARN COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nnc(C)s1 ZINC000002442006 569304286 /nfs/dbraw/zinc/30/42/86/569304286.db2.gz CMTSEWACTOAXTI-QGZVFWFLSA-N 0 0 439.880 4.365 50 0 IIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@]1(C)CC1(Br)Br ZINC000002445713 569304391 /nfs/dbraw/zinc/30/43/91/569304391.db2.gz NSOSYWYXAAVMQZ-HNNXBMFYSA-N 0 0 444.123 4.179 50 0 IIAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012656695 569304709 /nfs/dbraw/zinc/30/47/09/569304709.db2.gz BXDDOPIRYWHDEN-GZWSXIRCSA-N 0 0 432.557 4.032 50 0 biogenic IIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nn2)n1 ZINC000013010139 569306762 /nfs/dbraw/zinc/30/67/62/569306762.db2.gz RWEUIJHBWCRNHA-UHFFFAOYSA-N 0 0 448.552 4.440 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000013037954 569307593 /nfs/dbraw/zinc/30/75/93/569307593.db2.gz MUIPCJGCBPZIHF-UHFFFAOYSA-N 0 0 438.753 4.228 50 0 IIAARN Cc1ccc(SCCN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013037959 569307572 /nfs/dbraw/zinc/30/75/72/569307572.db2.gz BNPLOQDKYJDGQM-UHFFFAOYSA-N 0 0 444.544 4.112 50 0 IIAARN O=C(CCCCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013038512 569307778 /nfs/dbraw/zinc/30/77/78/569307778.db2.gz SHYVAHUGVJSPAL-UHFFFAOYSA-N 0 0 443.594 4.432 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=S)N[C@H]1CCCC[C@H]1C ZINC000013073200 569309165 /nfs/dbraw/zinc/30/91/65/569309165.db2.gz XKWUTLSYVSXNCG-AEFFLSMTSA-N 0 0 439.647 4.125 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(C=O)cc3)n(-c3ccccc3)n2)cc1 ZINC000013075727 569309222 /nfs/dbraw/zinc/30/92/22/569309222.db2.gz MEQGIWJQQSBPBR-UHFFFAOYSA-N 0 0 439.471 4.456 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000013101514 569310017 /nfs/dbraw/zinc/31/00/17/569310017.db2.gz WUYIDRBLLJFQDV-UHFFFAOYSA-N 0 0 442.519 4.423 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccccc2Cl)cc1 ZINC000013114325 569310588 /nfs/dbraw/zinc/31/05/88/569310588.db2.gz HTYXASSRPMZZLH-UHFFFAOYSA-N 0 0 444.940 4.178 50 0 IIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000013354138 569313444 /nfs/dbraw/zinc/31/34/44/569313444.db2.gz KGPYIXZWXHBTED-UHFFFAOYSA-N 0 0 447.532 4.318 50 0 IIAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(CC(C)C)cc3)C2)cc1 ZINC000013356535 569313628 /nfs/dbraw/zinc/31/36/28/569313628.db2.gz NLIHCWHQAAPNQK-VWLOTQADSA-N 0 0 442.625 4.301 50 0 IIAARN CC(C)CNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000013356967 569313638 /nfs/dbraw/zinc/31/36/38/569313638.db2.gz SQCROFNPIODMPQ-UHFFFAOYSA-N 0 0 441.959 4.217 50 0 IIAARN O=C(Cc1cccs1)N1CCC(C(=O)NCCc2csc(-c3cccs3)n2)CC1 ZINC000013360167 569313942 /nfs/dbraw/zinc/31/39/42/569313942.db2.gz HMOIVRQCHUTKOZ-UHFFFAOYSA-N 0 0 445.635 4.073 50 0 IIAARN CCCc1nn2c(nc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2=O)s1 ZINC000013368581 569314569 /nfs/dbraw/zinc/31/45/69/569314569.db2.gz RYXRRFVKCQFGMG-UHFFFAOYSA-N 0 0 438.484 4.074 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1Br ZINC000019309230 569317697 /nfs/dbraw/zinc/31/76/97/569317697.db2.gz YACMOYWQTCBZCN-UHFFFAOYSA-N 0 0 426.119 4.148 50 0 IIAARN COc1ccccc1C[C@H](C)N(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC000078903534 569320200 /nfs/dbraw/zinc/32/02/00/569320200.db2.gz DOBRNEAZMPQOOT-INIZCTEOSA-N 0 0 440.613 4.216 50 0 IIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)OC(C)(C)C)c12 ZINC000078934959 569320309 /nfs/dbraw/zinc/32/03/09/569320309.db2.gz CSGHDBXXBZEMMV-OAHLLOKOSA-N 0 0 440.500 4.263 50 0 IIAARN CC(=O)O[C@H](c1nc(C2CCN(C(=O)c3ccccc3Cl)CC2)no1)c1ccccc1 ZINC000078935430 569320320 /nfs/dbraw/zinc/32/03/20/569320320.db2.gz FEEXPRVOUAMJQA-FQEVSTJZSA-N 0 0 439.899 4.395 50 0 IIAARN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000079020903 569322348 /nfs/dbraw/zinc/32/23/48/569322348.db2.gz JUDJQAJMJYOENQ-UHFFFAOYSA-N 0 0 442.313 4.134 50 0 IIAARN Cc1cc2ncn(C[C@@H](NC(=O)CCc3nc(-c4cccs4)no3)C3CC3)c2cc1C ZINC000079045689 569323081 /nfs/dbraw/zinc/32/30/81/569323081.db2.gz COUPJJUNJNOOHF-GOSISDBHSA-N 0 0 435.553 4.292 50 0 IIAARN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccnc(Br)c1 ZINC000079098726 569325405 /nfs/dbraw/zinc/32/54/05/569325405.db2.gz JCHFEXSJAAVAGZ-UHFFFAOYSA-N 0 0 428.261 4.166 50 0 IIAARN Cc1oc2nc(SCc3nsc(N(C)C)n3)nc(NC(=O)c3ccccc3)c2c1C ZINC000079101670 569325480 /nfs/dbraw/zinc/32/54/80/569325480.db2.gz YVGMNXCCPKAIFC-UHFFFAOYSA-N 0 0 440.554 4.302 50 0 IIAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1OCc1ccccn1 ZINC000079190876 569327944 /nfs/dbraw/zinc/32/79/44/569327944.db2.gz GEMZPIBLYMNZRX-URXFXBBRSA-N 0 0 443.455 4.223 50 0 biogenic IIAARN CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000002463289 569331620 /nfs/dbraw/zinc/33/16/20/569331620.db2.gz VQXYJWSCKBITQW-MGPUTAFESA-N 0 0 446.569 4.474 50 0 IIAARN CCOc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000020058648 569333025 /nfs/dbraw/zinc/33/30/25/569333025.db2.gz FHEWOTNMKUEEPD-UHFFFAOYSA-N 0 0 443.887 4.368 50 0 IIAARN CCOC(=O)CN(Cc1ccccc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020108145 569334359 /nfs/dbraw/zinc/33/43/59/569334359.db2.gz FSYBPXHKVJLBRV-VWLOTQADSA-N 0 0 446.503 4.160 50 0 IIAARN CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116092 569335166 /nfs/dbraw/zinc/33/51/66/569335166.db2.gz SDUVMCDOFSLGEN-ULCRDSCMSA-N 0 0 440.628 4.452 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000020155458 569353703 /nfs/dbraw/zinc/35/37/03/569353703.db2.gz GQLUARVIOPCKAL-RPBOFIJWSA-N 0 0 448.563 4.333 50 0 IIAARN COc1ccc(CNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)cc1 ZINC000020180648 569355103 /nfs/dbraw/zinc/35/51/03/569355103.db2.gz UFSRWBOXDBTHQB-OEAKJJBVSA-N 0 0 448.906 4.432 50 0 IIAARN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCOC(C)C)C2=O)cc1 ZINC000020180948 569355261 /nfs/dbraw/zinc/35/52/61/569355261.db2.gz IUCIPRSYJPWTTD-PXLXIMEGSA-N 0 0 440.565 4.106 50 0 IIAARN COc1ccc(-c2noc(CN3CC[C@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211476 569356174 /nfs/dbraw/zinc/35/61/74/569356174.db2.gz KIEOIZURXIRDIT-HNNXBMFYSA-N 0 0 429.904 4.405 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)CSCc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020241262 569357930 /nfs/dbraw/zinc/35/79/30/569357930.db2.gz BEEMVIWTAASMEY-IBGZPJMESA-N 0 0 430.570 4.247 50 0 IIAARN C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377761 569362227 /nfs/dbraw/zinc/36/22/27/569362227.db2.gz PRLGQTZJVFPEIQ-UUOWRZLLSA-N 0 0 445.544 4.132 50 0 IIAARN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2F)n1 ZINC000095364847 569362424 /nfs/dbraw/zinc/36/24/24/569362424.db2.gz GCSWDQOMMUUAMC-UHFFFAOYSA-N 0 0 441.406 4.174 50 0 IIAARN CCOC(=O)C1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccc(F)cc32)CC1 ZINC000020380699 569362563 /nfs/dbraw/zinc/36/25/63/569362563.db2.gz LQKJWNLGNFVUPD-UHFFFAOYSA-N 0 0 436.483 4.393 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1C)c(=O)n(CC(=O)Nc1cccc(Cl)c1)nc2C ZINC000020413819 569364284 /nfs/dbraw/zinc/36/42/84/569364284.db2.gz QSLVPKZKSXASOZ-UHFFFAOYSA-N 0 0 435.915 4.108 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000020416921 569364531 /nfs/dbraw/zinc/36/45/31/569364531.db2.gz YDIMEPSDXKLMMO-QGZVFWFLSA-N 0 0 428.492 4.206 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417141 569364924 /nfs/dbraw/zinc/36/49/24/569364924.db2.gz GUVVSTUCBAMLBM-YZZKKUAISA-N 0 0 434.584 4.112 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccccc3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417825 569365021 /nfs/dbraw/zinc/36/50/21/569365021.db2.gz JLJDUYRJMLLHAP-UHFFFAOYSA-N 0 0 434.927 4.464 50 0 IIAARN Cc1c2cnn(CC(=O)NCCC3=CCCCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417544 569365063 /nfs/dbraw/zinc/36/50/63/569365063.db2.gz IABIYPQPSOSWNW-UHFFFAOYSA-N 0 0 436.531 4.009 50 0 IIAARN O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000095432481 569366394 /nfs/dbraw/zinc/36/63/94/569366394.db2.gz JZXLUWNPHFVGBX-UHFFFAOYSA-N 0 0 442.906 4.310 50 0 IIAARN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccccc3Cl)n2)c1 ZINC000095442439 569366779 /nfs/dbraw/zinc/36/67/79/569366779.db2.gz PDMQTQYQMOIBCQ-UHFFFAOYSA-N 0 0 449.985 4.251 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2nc(C)c(Br)cc2Br)ccc1F ZINC000095457195 569368943 /nfs/dbraw/zinc/36/89/43/569368943.db2.gz YZVMQFYSOQWGJN-UHFFFAOYSA-N 0 0 438.116 4.163 50 0 IIAARN Cc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)N(C)c3ccccc3)c1)CCCO2 ZINC000095458308 569369198 /nfs/dbraw/zinc/36/91/98/569369198.db2.gz CJBXFKMOWPGOGE-UHFFFAOYSA-N 0 0 436.533 4.249 50 0 IIAARN Cc1cccc(O)c1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000095458465 569369229 /nfs/dbraw/zinc/36/92/29/569369229.db2.gz YPDFYMIUJOBEET-UHFFFAOYSA-N 0 0 429.567 4.139 50 0 IIAARN CCc1noc(-c2ccc(C)c(NC(=O)N3CCCC[C@H]3c3nnc4n3CCCC4)c2)n1 ZINC000095458414 569369251 /nfs/dbraw/zinc/36/92/51/569369251.db2.gz FTKZKSCPKIRGNV-SFHVURJKSA-N 0 0 435.532 4.294 50 0 IIAARN CC(C)n1cnnc1C1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000095461597 569369916 /nfs/dbraw/zinc/36/99/16/569369916.db2.gz PFFJKNYWOGCLDO-UHFFFAOYSA-N 0 0 446.617 4.386 50 0 IIAARN Cc1ccc(OC2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3Br)CC2)nc1 ZINC000095462522 569370130 /nfs/dbraw/zinc/37/01/30/569370130.db2.gz OKMKBDXWAYOCEN-INIZCTEOSA-N 0 0 432.362 4.331 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc(CO)cc2)cc1 ZINC000095463247 569370229 /nfs/dbraw/zinc/37/02/29/569370229.db2.gz BBIXOLNYLKHNCQ-UHFFFAOYSA-N 0 0 427.504 4.013 50 0 IIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1=NC(=O)[C@H](c2ccc(C)cc2)O1 ZINC000095467399 569371022 /nfs/dbraw/zinc/37/10/22/569371022.db2.gz MAVIZCDLUFGLCY-INIZCTEOSA-N 0 0 425.897 4.464 50 0 IIAARN O=C(COC(=O)Cc1ccccc1Br)Nc1ccc(Br)cc1F ZINC000095471774 569371980 /nfs/dbraw/zinc/37/19/80/569371980.db2.gz HJWAULXVQTXBEX-UHFFFAOYSA-N 0 0 445.082 4.075 50 0 IIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3)cc1)C=C2 ZINC000095474306 569372638 /nfs/dbraw/zinc/37/26/38/569372638.db2.gz UALCYQKDYBYJCT-UHFFFAOYSA-N 0 0 444.487 4.490 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C ZINC000095482423 569374354 /nfs/dbraw/zinc/37/43/54/569374354.db2.gz HTULUHHGNHLRQR-CQSZACIVSA-N 0 0 430.302 4.200 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2cccc(C)c2)S1 ZINC000020896053 569375106 /nfs/dbraw/zinc/37/51/06/569375106.db2.gz RSOOKXBQDVHINO-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CC(C)(C)OC(=O)NCc1nnc(SCCOc2cccc(Br)c2)o1 ZINC000095941624 569375405 /nfs/dbraw/zinc/37/54/05/569375405.db2.gz DOGTYFSREIRFKH-UHFFFAOYSA-N 0 0 430.324 4.028 50 0 IIAARN C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000095996436 569378742 /nfs/dbraw/zinc/37/87/42/569378742.db2.gz CTRMFLYMYBUASV-OAHLLOKOSA-N 0 0 439.493 4.099 50 0 IIAARN CCCC(=O)N1CCC[C@H](C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)C1 ZINC000096011880 569379921 /nfs/dbraw/zinc/37/99/21/569379921.db2.gz PIRRZNJGNSDFED-XZOQPEGZSA-N 0 0 433.552 4.002 50 0 IIAARN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccc(Br)cc1 ZINC000096024386 569380568 /nfs/dbraw/zinc/38/05/68/569380568.db2.gz YMNZDFCWMQHPBT-UHFFFAOYSA-N 0 0 447.358 4.379 50 0 IIAARN Cc1cccc(N2CCN(CCCOc3cc(O)c4c(c3)OC(C)(C)CC4=O)CC2)c1C ZINC000096028225 569380943 /nfs/dbraw/zinc/38/09/43/569380943.db2.gz GYOVPNAXLWXTBN-UHFFFAOYSA-N 0 0 438.568 4.344 50 0 IIAARN C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 ZINC000096096359 569381188 /nfs/dbraw/zinc/38/11/88/569381188.db2.gz DEYCIMLFAVRKHX-NRFANRHFSA-N 0 0 446.366 4.302 50 0 IIAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102936 569381939 /nfs/dbraw/zinc/38/19/39/569381939.db2.gz ZBTJSOGVITYTIG-UHFFFAOYSA-N 0 0 426.314 4.318 50 0 IIAARN Cc1nc(N(C)C)sc1[C@H]1c2c(c3ccccc3oc2=O)O[C@H]1C(=O)Nc1ccccc1 ZINC000096115312 569383171 /nfs/dbraw/zinc/38/31/71/569383171.db2.gz KEBHNNBCWBQAIO-FXAWDEMLSA-N 0 0 447.516 4.156 50 0 biogenic IIAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4ccc(C(N)=O)cc4)c(=O)oc3c2C)c1C ZINC000096115619 569383261 /nfs/dbraw/zinc/38/32/61/569383261.db2.gz WMPUQOCABAMROB-UHFFFAOYSA-N 0 0 432.476 4.443 50 0 biogenic IIAARN COC(=O)c1nc(NC(=O)CCc2ccc(OC)c(OC)c2)sc1-c1ccc(F)cc1 ZINC000096116687 569383768 /nfs/dbraw/zinc/38/37/68/569383768.db2.gz GOZIOVSGGHMJCW-UHFFFAOYSA-N 0 0 444.484 4.324 50 0 IIAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096116986 569384031 /nfs/dbraw/zinc/38/40/31/569384031.db2.gz IHWYKGHTAYDATJ-HNNXBMFYSA-N 0 0 427.498 4.033 50 0 IIAARN COc1ccc(CNC(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1OC ZINC000096119714 569384796 /nfs/dbraw/zinc/38/47/96/569384796.db2.gz CXMFHWQVZPDSJT-UHFFFAOYSA-N 0 0 434.452 4.259 50 0 IIAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1 ZINC000096119890 569384814 /nfs/dbraw/zinc/38/48/14/569384814.db2.gz NDSKAYKRQYRLEX-UHFFFAOYSA-N 0 0 442.562 4.052 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000096120446 569384950 /nfs/dbraw/zinc/38/49/50/569384950.db2.gz IEXVVFBNNHBPFO-UHFFFAOYSA-N 0 0 436.449 4.446 50 0 IIAARN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccccc1-c1ccsc1 ZINC000096122907 569385241 /nfs/dbraw/zinc/38/52/41/569385241.db2.gz QVDSXBGCWHTQIO-UHFFFAOYSA-N 0 0 434.970 4.053 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2-c2ccsc2)cc1 ZINC000096122906 569385254 /nfs/dbraw/zinc/38/52/54/569385254.db2.gz MULPRISFBSEVIW-UHFFFAOYSA-N 0 0 442.606 4.307 50 0 IIAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124067 569385429 /nfs/dbraw/zinc/38/54/29/569385429.db2.gz RSMABZOXZLEWGG-OAQYLSRUSA-N 0 0 443.526 4.135 50 0 IIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C\c1ccccc1 ZINC000096124649 569385517 /nfs/dbraw/zinc/38/55/17/569385517.db2.gz OCEBNFXXSNMMPJ-XDJHFCHBSA-N 0 0 445.972 4.204 50 0 IIAARN CCOC(=O)c1ccc(N2CCCN(C(=O)/C=C\c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000096134135 569385912 /nfs/dbraw/zinc/38/59/12/569385912.db2.gz PNMCDBMAIBEROP-UITAMQMPSA-N 0 0 448.350 4.317 50 0 IIAARN COc1ccc(/C=C/c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)cc1 ZINC000096232855 569387854 /nfs/dbraw/zinc/38/78/54/569387854.db2.gz AITRYCWDHWZSTK-LFYBBSHMSA-N 0 0 439.537 4.336 50 0 IIAARN COCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)c(F)c1 ZINC000096280376 569389560 /nfs/dbraw/zinc/38/95/60/569389560.db2.gz WEBNJGMYIYJVLO-UHFFFAOYSA-N 0 0 429.286 4.168 50 0 IIAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc1)c1cccs1 ZINC000096280556 569389690 /nfs/dbraw/zinc/38/96/90/569389690.db2.gz ZZYWOZZGLVIDHB-UHFFFAOYSA-N 0 0 426.929 4.011 50 0 IIAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(CC1CC1)C(=O)c1ccccc1Cl ZINC000096288695 569390427 /nfs/dbraw/zinc/39/04/27/569390427.db2.gz PTNCXXBAMFKORF-UHFFFAOYSA-N 0 0 428.337 4.384 50 0 IIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316815 569392879 /nfs/dbraw/zinc/39/28/79/569392879.db2.gz IRYKSKNNUSVOPK-UHFFFAOYSA-N 0 0 436.600 4.094 50 0 IIAARN Cc1nc(C(C)C)c(Cc2cccc(Cl)c2)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000096317760 569393584 /nfs/dbraw/zinc/39/35/84/569393584.db2.gz LRCZWKLDTXQZEH-UHFFFAOYSA-N 0 0 429.996 4.393 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Br)c4)no3)n2)cc1 ZINC000096322835 569394956 /nfs/dbraw/zinc/39/49/56/569394956.db2.gz SPYOUJJJGCIWRK-UHFFFAOYSA-N 0 0 437.297 4.334 50 0 IIAARN O=C(NCc1ccc(F)cc1)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323832 569395501 /nfs/dbraw/zinc/39/55/01/569395501.db2.gz XIQDYBBCQGCGRU-UHFFFAOYSA-N 0 0 425.464 4.004 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C)c(F)c1)C3 ZINC000096326909 569396286 /nfs/dbraw/zinc/39/62/86/569396286.db2.gz MWZJZKDUJFTDLO-UHFFFAOYSA-N 0 0 429.879 4.047 50 0 IIAARN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccc(Br)o4)no3)cc2c1 ZINC000096349559 569397308 /nfs/dbraw/zinc/39/73/08/569397308.db2.gz RKFGLEHNUSWGBE-UHFFFAOYSA-N 0 0 429.274 4.197 50 0 IIAARN COc1cccc2[nH]c(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccccc3)cc21 ZINC000096358935 569397554 /nfs/dbraw/zinc/39/75/54/569397554.db2.gz NUQKROZFCLVHCM-UHFFFAOYSA-N 0 0 425.488 4.309 50 0 IIAARN CC[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O)c1cccs1 ZINC000096372491 569397966 /nfs/dbraw/zinc/39/79/66/569397966.db2.gz CHQBLPDGWKTLPZ-SFHVURJKSA-N 0 0 445.548 4.030 50 0 IIAARN O=C(NCc1ccccc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000096383439 569398177 /nfs/dbraw/zinc/39/81/77/569398177.db2.gz XTNJKEFYOBSARD-UHFFFAOYSA-N 0 0 426.563 4.130 50 0 IIAARN CCc1nc2cc(N3CCC(C(=O)N[C@@H](C)c4ccc(OC)cc4)CC3)cnc2nc1CC ZINC000096387428 569398981 /nfs/dbraw/zinc/39/89/81/569398981.db2.gz ZMMYLTQOYWZLJU-KRWDZBQOSA-N 0 0 447.583 4.252 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000096396457 569399092 /nfs/dbraw/zinc/39/90/92/569399092.db2.gz LBCXQAMFKDBBOW-UHFFFAOYSA-N 0 0 436.439 4.360 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 ZINC000096399535 569400141 /nfs/dbraw/zinc/40/01/41/569400141.db2.gz UCVCBGXSHJQYOU-UHFFFAOYSA-N 0 0 435.596 4.406 50 0 IIAARN COc1ccc(OC)c(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)c1 ZINC000096399679 569400222 /nfs/dbraw/zinc/40/02/22/569400222.db2.gz SZWOQRVQINRYNS-UHFFFAOYSA-N 0 0 435.527 4.140 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)cc1OC ZINC000096399677 569400313 /nfs/dbraw/zinc/40/03/13/569400313.db2.gz WGVQAHLUUJISFG-UHFFFAOYSA-N 0 0 435.527 4.140 50 0 IIAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2s1 ZINC000096399738 569400315 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O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032371081 569461397 /nfs/dbraw/zinc/46/13/97/569461397.db2.gz PNSPGUIFNZYRJB-UHFFFAOYSA-N 0 0 449.942 4.148 50 0 IIAARN CCOc1ccc(-c2nc(CC(=O)NC3(c4noc(C)n4)CCCCC3)cs2)cc1 ZINC000032449412 569461771 /nfs/dbraw/zinc/46/17/71/569461771.db2.gz JZHWYJVIBRWJBL-UHFFFAOYSA-N 0 0 426.542 4.419 50 0 IIAARN COc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000032464807 569461826 /nfs/dbraw/zinc/46/18/26/569461826.db2.gz XSYXIOSQUXGIIR-UHFFFAOYSA-N 0 0 431.492 4.373 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1ccccc1Cl ZINC000038486954 569462865 /nfs/dbraw/zinc/46/28/65/569462865.db2.gz WDKMXBCZFHTGOD-UHFFFAOYSA-N 0 0 434.912 4.428 50 0 IIAARN CC(C)c1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 ZINC000067225711 569465157 /nfs/dbraw/zinc/46/51/57/569465157.db2.gz KPTBTEGTDZVSGM-UHFFFAOYSA-N 0 0 447.564 4.252 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)n(C(C)C)c(=O)c2[nH]1 ZINC000067236152 569465374 /nfs/dbraw/zinc/46/53/74/569465374.db2.gz BFPDTYPUSHLXHJ-UHFFFAOYSA-N 0 0 449.374 4.416 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3Cl)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236548 569465427 /nfs/dbraw/zinc/46/54/27/569465427.db2.gz DTFJQYJVCAEBOI-UHFFFAOYSA-N 0 0 446.891 4.198 50 0 IIAARN CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1)c1ccccc1 ZINC000067236990 569465478 /nfs/dbraw/zinc/46/54/78/569465478.db2.gz SYUHTYSWFIGKDJ-UHFFFAOYSA-N 0 0 432.549 4.476 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237125 569465506 /nfs/dbraw/zinc/46/55/06/569465506.db2.gz SFPFUHKWRYRPNJ-UHFFFAOYSA-N 0 0 440.475 4.340 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cccc(Br)c3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237766 569465555 /nfs/dbraw/zinc/46/55/55/569465555.db2.gz OTYYQYYTGIDOFE-UHFFFAOYSA-N 0 0 449.374 4.182 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C)nc1Nc1cc(C)cc(C)c1 ZINC000067246471 569466020 /nfs/dbraw/zinc/46/60/20/569466020.db2.gz IPTNZXFTSNFGHC-UHFFFAOYSA-N 0 0 426.904 4.213 50 0 IIAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 ZINC000067257627 569466096 /nfs/dbraw/zinc/46/60/96/569466096.db2.gz LQQZYQZFHYNURX-UHFFFAOYSA-N 0 0 425.510 4.209 50 0 IIAARN Cc1cc(SCC(=O)N2CCN(c3ccccc3F)CC2)nc(-c2cccc(F)c2)n1 ZINC000067257453 569466113 /nfs/dbraw/zinc/46/61/13/569466113.db2.gz YKQFFPYAVOZBKO-UHFFFAOYSA-N 0 0 440.519 4.171 50 0 IIAARN O=C1CCCN1c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1 ZINC000067259353 569466256 /nfs/dbraw/zinc/46/62/56/569466256.db2.gz AFHZXEMKMRBTDD-UHFFFAOYSA-N 0 0 442.544 4.259 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(CCc5ccccc5)c(=O)n4ccn3n2)cc1 ZINC000067260492 569466366 /nfs/dbraw/zinc/46/63/66/569466366.db2.gz CQIICZYUQYBDRZ-UHFFFAOYSA-N 0 0 427.508 4.232 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2C1 ZINC000038678294 569466634 /nfs/dbraw/zinc/46/66/34/569466634.db2.gz ZYPYNWPDOAFEFY-UHFFFAOYSA-N 0 0 441.475 4.447 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000038679782 569466736 /nfs/dbraw/zinc/46/67/36/569466736.db2.gz LXSFTGQONRKDDS-CABCVRRESA-N 0 0 433.917 4.040 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4c(C)cccc4Cl)c3)n2)c1 ZINC000067289639 569467530 /nfs/dbraw/zinc/46/75/30/569467530.db2.gz XUWVBIAFRGGLIN-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067294199 569467844 /nfs/dbraw/zinc/46/78/44/569467844.db2.gz DNIXWPAHVMGJHP-KQYPGELLSA-N 0 0 430.863 4.375 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298728 569468045 /nfs/dbraw/zinc/46/80/45/569468045.db2.gz HOJQECRGEZFPMN-BZIHZDCZSA-N 0 0 432.398 4.298 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3F)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067319771 569468580 /nfs/dbraw/zinc/46/85/80/569468580.db2.gz KLBXDMNELCYJRP-UHFFFAOYSA-N 0 0 440.475 4.340 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000038740501 569468613 /nfs/dbraw/zinc/46/86/13/569468613.db2.gz RANUMNIVHUDZPB-UHFFFAOYSA-N 0 0 438.447 4.251 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)Nc3c(C)cccc3Cl)c2c(=O)n1CC(C)C ZINC000067320093 569468638 /nfs/dbraw/zinc/46/86/38/569468638.db2.gz JRBDTKGJVWXJCV-UHFFFAOYSA-N 0 0 432.977 4.485 50 0 IIAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000067323062 569468743 /nfs/dbraw/zinc/46/87/43/569468743.db2.gz FOJABBZBHVCWFG-UHFFFAOYSA-N 0 0 425.920 4.365 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cc(C)ccc2C)o1 ZINC000008606817 569469322 /nfs/dbraw/zinc/46/93/22/569469322.db2.gz UXGKJDDHNRKIMU-RHSMWYFYSA-N 0 0 437.562 4.272 50 0 IIAARN COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c(OC)c1 ZINC000038914292 569469368 /nfs/dbraw/zinc/46/93/68/569469368.db2.gz YSPQWOWXDPKDQO-CYBMUJFWSA-N 0 0 444.285 4.037 50 0 IIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1OC ZINC000008660804 569469724 /nfs/dbraw/zinc/46/97/24/569469724.db2.gz DQOSGPQSAOWUAY-XJKSGUPXSA-N 0 0 426.439 4.089 50 0 IIAARN C[C@@H](NC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000008662035 569469915 /nfs/dbraw/zinc/46/99/15/569469915.db2.gz BDWWNXHESBCDBA-FPLDTUOSSA-N 0 0 446.595 4.125 50 0 IIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000008709567 569470805 /nfs/dbraw/zinc/47/08/05/569470805.db2.gz DNXAWAAHGIHKFD-UHFFFAOYSA-N 0 0 428.488 4.171 50 0 IIAARN CCC(CC)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(F)cc1 ZINC000008710319 569470894 /nfs/dbraw/zinc/47/08/94/569470894.db2.gz HRMACMSWSXYEGE-NRFANRHFSA-N 0 0 431.533 4.311 50 0 IIAARN O=S(=O)(c1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)nc1)N1CCCC1 ZINC000008718716 569471302 /nfs/dbraw/zinc/47/13/02/569471302.db2.gz MRJOSWOWBXIYIN-UHFFFAOYSA-N 0 0 435.958 4.467 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000008718975 569471357 /nfs/dbraw/zinc/47/13/57/569471357.db2.gz WZQCKSAJOHNCQU-UHFFFAOYSA-N 0 0 437.550 4.058 50 0 IIAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000008719165 569471397 /nfs/dbraw/zinc/47/13/97/569471397.db2.gz CFBBXKFKCOWQFV-PKOBYXMFSA-N 0 0 440.594 4.298 50 0 IIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000008723717 569471864 /nfs/dbraw/zinc/47/18/64/569471864.db2.gz HAYGDADDOXXGKU-KRWDZBQOSA-N 0 0 447.582 4.211 50 0 IIAARN Cc1noc(C)c1CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000008725722 569472235 /nfs/dbraw/zinc/47/22/35/569472235.db2.gz BJLIBKPIRFYYAC-UHFFFAOYSA-N 0 0 427.526 4.280 50 0 IIAARN Cc1ccc(Nc2nc([C@@]3(C)C[C@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000008740403 569472807 /nfs/dbraw/zinc/47/28/07/569472807.db2.gz XRULNHKVZLXAKX-IMRHEYAYSA-N 0 0 444.553 4.332 50 0 biogenic IIAARN CCn1c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3cccs3)cc2[nH]c(=O)c1=O ZINC000008748090 569473184 /nfs/dbraw/zinc/47/31/84/569473184.db2.gz APMHVTJUURRABP-QGZVFWFLSA-N 0 0 447.560 4.045 50 0 IIAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)oc3c2C)c1C ZINC000008751983 569473473 /nfs/dbraw/zinc/47/34/73/569473473.db2.gz OFIKVIFYQCMFPB-UHFFFAOYSA-N 0 0 433.460 4.360 50 0 biogenic IIAARN Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 ZINC000008771714 569475201 /nfs/dbraw/zinc/47/52/01/569475201.db2.gz UWELTPVAOMQDDO-NRFANRHFSA-N 0 0 433.533 4.118 50 0 IIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1 ZINC000008778476 569475463 /nfs/dbraw/zinc/47/54/63/569475463.db2.gz RYKAXXSBMNLZTB-SFHVURJKSA-N 0 0 433.339 4.331 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000008778687 569475498 /nfs/dbraw/zinc/47/54/98/569475498.db2.gz NDNAPEIXOKYZKN-LJQANCHMSA-N 0 0 444.442 4.047 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)n1ccc(-c2ccc(OCCCF)cc2)n1 ZINC000008781803 569475723 /nfs/dbraw/zinc/47/57/23/569475723.db2.gz PXLIOCXGRZRCEI-UHFFFAOYSA-N 0 0 439.306 4.288 50 0 IIAARN CCOc1ccc(-c2c(C)sc3ncn(CC(=O)NCCc4ccccc4)c(=O)c32)cc1 ZINC000008789479 569475952 /nfs/dbraw/zinc/47/59/52/569475952.db2.gz GKSVQQPMVWVXHG-UHFFFAOYSA-N 0 0 447.560 4.191 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c(OC)c1 ZINC000008790335 569476032 /nfs/dbraw/zinc/47/60/32/569476032.db2.gz LXOVUVVBFBJOCJ-UHFFFAOYSA-N 0 0 435.476 4.422 50 0 biogenic IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCc4ccncc4)ccc23)cc1 ZINC000008791236 569476159 /nfs/dbraw/zinc/47/61/59/569476159.db2.gz CHVKRLXIWYYNFW-QGZVFWFLSA-N 0 0 444.487 4.256 50 0 biogenic IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc12 ZINC000008824702 569477232 /nfs/dbraw/zinc/47/72/32/569477232.db2.gz MEQNOWWWFALKIY-UHFFFAOYSA-N 0 0 426.885 4.239 50 0 IIAARN CCN(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 ZINC000008825080 569477267 /nfs/dbraw/zinc/47/72/67/569477267.db2.gz GCEKDZPFFALIJX-UHFFFAOYSA-N 0 0 426.476 4.144 50 0 IIAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000008825355 569477336 /nfs/dbraw/zinc/47/73/36/569477336.db2.gz ONQXBXFTDXTVKJ-GOSISDBHSA-N 0 0 435.526 4.031 50 0 IIAARN Cc1cc(C)n2c(nnc2SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000008825252 569477353 /nfs/dbraw/zinc/47/73/53/569477353.db2.gz QFIYJRYIYGFSIZ-UHFFFAOYSA-N 0 0 427.917 4.063 50 0 IIAARN Cc1cc(C)n2c(nnc2S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000008825401 569477391 /nfs/dbraw/zinc/47/73/91/569477391.db2.gz GASCPBBMJUKHRV-NSHDSACASA-N 0 0 446.508 4.262 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc1 ZINC000008825895 569477501 /nfs/dbraw/zinc/47/75/01/569477501.db2.gz OIXSRIIOMAXELI-MRXNPFEDSA-N 0 0 432.480 4.096 50 0 IIAARN COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000008834485 569477875 /nfs/dbraw/zinc/47/78/75/569477875.db2.gz QMEFEZQCXXQBHG-KRWDZBQOSA-N 0 0 434.366 4.447 50 0 IIAARN C[C@H]1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000008844569 569478608 /nfs/dbraw/zinc/47/86/08/569478608.db2.gz JYWUIUFFHXLPLY-GJZGRUSLSA-N 0 0 432.929 4.441 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(OC)c3)cs2)c1 ZINC000008851042 569479351 /nfs/dbraw/zinc/47/93/51/569479351.db2.gz XEPYDUHSBFINKG-UHFFFAOYSA-N 0 0 443.550 4.072 50 0 IIAARN O=C(CSc1nn2c(SCC(=O)c3cccs3)nnc2s1)c1cccs1 ZINC000008856287 569479725 /nfs/dbraw/zinc/47/97/25/569479725.db2.gz PBYNUHNZVXFVEP-UHFFFAOYSA-N 0 0 438.606 4.259 50 0 IIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)cc1C ZINC000008861804 569480038 /nfs/dbraw/zinc/48/00/38/569480038.db2.gz ZDTQEWBXFWUFPO-AREMUKBSSA-N 0 0 438.487 4.349 50 0 IIAARN C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000008861963 569480112 /nfs/dbraw/zinc/48/01/12/569480112.db2.gz CSVDJBFWKCAWAE-GOSISDBHSA-N 0 0 440.503 4.256 50 0 IIAARN Cc1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nn1-c1ccc(Cl)cc1 ZINC000008862159 569480123 /nfs/dbraw/zinc/48/01/23/569480123.db2.gz JUQAGBFWFMURMF-UHFFFAOYSA-N 0 0 447.930 4.466 50 0 IIAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2s1 ZINC000008862247 569480148 /nfs/dbraw/zinc/48/01/48/569480148.db2.gz WXRPOLZAXJJDRA-UHFFFAOYSA-N 0 0 427.485 4.042 50 0 IIAARN CN(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 ZINC000008865212 569480187 /nfs/dbraw/zinc/48/01/87/569480187.db2.gz WQNASXCVHLHIFM-UHFFFAOYSA-N 0 0 433.533 4.179 50 0 IIAARN CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)n1 ZINC000039981964 569482235 /nfs/dbraw/zinc/48/22/35/569482235.db2.gz KATLFQMIBPERBO-JOCHJYFZSA-N 0 0 429.586 4.423 50 0 IIAARN O=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000040030695 569483034 /nfs/dbraw/zinc/48/30/34/569483034.db2.gz QIRSFWPOOSYLLG-UHFFFAOYSA-N 0 0 442.762 4.386 50 0 IIAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000040039490 569483365 /nfs/dbraw/zinc/48/33/65/569483365.db2.gz ZPVHOABFKOYDLS-UHFFFAOYSA-N 0 0 444.520 4.265 50 0 IIAARN CN(C)C(=O)CSc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040040243 569483415 /nfs/dbraw/zinc/48/34/15/569483415.db2.gz XNLAWERFPGAIOC-UHFFFAOYSA-N 0 0 439.562 4.433 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000008895680 569483779 /nfs/dbraw/zinc/48/37/79/569483779.db2.gz BYVSLJIVZDILSH-CYBMUJFWSA-N 0 0 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430.888 4.119 50 0 IIAARN Cc1ccc(N(CCC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009544681 569545951 /nfs/dbraw/zinc/54/59/51/569545951.db2.gz IQEJUEHILBYFJR-UHFFFAOYSA-N 0 0 426.513 4.036 50 0 IIAARN CCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c1C ZINC000009545593 569546129 /nfs/dbraw/zinc/54/61/29/569546129.db2.gz YZHPRPCSKOPESB-NRFANRHFSA-N 0 0 436.339 4.472 50 0 IIAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1OC ZINC000009546116 569546231 /nfs/dbraw/zinc/54/62/31/569546231.db2.gz QFWXBTWPBBQERL-DEOSSOPVSA-N 0 0 440.540 4.322 50 0 IIAARN COc1ccc(CN(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C)Cc2cccs2)cc1 ZINC000009547238 569546375 /nfs/dbraw/zinc/54/63/75/569546375.db2.gz CIKJOCZDIZJMAO-GOSISDBHSA-N 0 0 447.564 4.070 50 0 IIAARN Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000009548807 569546509 /nfs/dbraw/zinc/54/65/09/569546509.db2.gz FYORWGKURBDHDP-UHFFFAOYSA-N 0 0 443.503 4.283 50 0 IIAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2F)c1S(=O)(=O)c1ccc(C)cc1 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Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000009582636 569549224 /nfs/dbraw/zinc/54/92/24/569549224.db2.gz NGSJGLNAZBHIJJ-UHFFFAOYSA-N 0 0 436.516 4.155 50 0 IIAARN COc1cc(OC)c([C@@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)cc1Br ZINC000009585840 569549553 /nfs/dbraw/zinc/54/95/53/569549553.db2.gz KQEFEEZZKSQVMD-SFHVURJKSA-N 0 0 439.693 4.359 50 0 IIAARN CN(CC(=O)Nc1ccc(-c2nccs2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009590797 569550023 /nfs/dbraw/zinc/55/00/23/569550023.db2.gz MGMMWXCPEMEDSM-UHFFFAOYSA-N 0 0 437.546 4.223 50 0 IIAARN COc1cccc(-n2cnnc2SCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000009593367 569550406 /nfs/dbraw/zinc/55/04/06/569550406.db2.gz NKJZCLHZRGMVMY-HNNXBMFYSA-N 0 0 426.567 4.286 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c(OC)c1 ZINC000009598507 569550998 /nfs/dbraw/zinc/55/09/98/569550998.db2.gz IFQVUKHGKGHNTJ-DNQXCXABSA-N 0 0 428.488 4.179 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1OC ZINC000009598511 569551035 /nfs/dbraw/zinc/55/10/35/569551035.db2.gz NHRWBMSASRFKFF-DNQXCXABSA-N 0 0 428.488 4.179 50 0 IIAARN COc1ccc(-n2c(=O)c3c(nc2SCc2cccc(F)c2)CCS3)cc1OC ZINC000009603125 569551760 /nfs/dbraw/zinc/55/17/60/569551760.db2.gz NQZIHLCLYSGZPR-UHFFFAOYSA-N 0 0 430.526 4.329 50 0 IIAARN O=C(CSc1nnc(NCc2ccco2)s1)N1CCS[C@H]1c1ccccc1F ZINC000009606742 569551945 /nfs/dbraw/zinc/55/19/45/569551945.db2.gz QLJDDDAMHMNTID-INIZCTEOSA-N 0 0 436.559 4.249 50 0 IIAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009609274 569552334 /nfs/dbraw/zinc/55/23/34/569552334.db2.gz JRQOHLFDMVRPQD-UHFFFAOYSA-N 0 0 428.492 4.356 50 0 IIAARN Cc1ccccc1NC(=O)c1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1 ZINC000009610691 569552604 /nfs/dbraw/zinc/55/26/04/569552604.db2.gz NIVLXPRTPCWECO-UHFFFAOYSA-N 0 0 437.448 4.326 50 0 IIAARN CSc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000009611512 569552722 /nfs/dbraw/zinc/55/27/22/569552722.db2.gz KQPTWLYYWCLSLC-UHFFFAOYSA-N 0 0 430.577 4.493 50 0 IIAARN CCOc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000009611517 569552740 /nfs/dbraw/zinc/55/27/40/569552740.db2.gz ZXVLFFDZOROLSZ-UHFFFAOYSA-N 0 0 428.536 4.170 50 0 IIAARN CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccccc21 ZINC000009612125 569552824 /nfs/dbraw/zinc/55/28/24/569552824.db2.gz RYCNQSHVNRVBDL-UHFFFAOYSA-N 0 0 440.565 4.465 50 0 IIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000009613078 569552970 /nfs/dbraw/zinc/55/29/70/569552970.db2.gz RWZWOMVSAJNODI-UHFFFAOYSA-N 0 0 440.484 4.254 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1 ZINC000009615964 569553239 /nfs/dbraw/zinc/55/32/39/569553239.db2.gz WMPRORBKZNDRMP-UHFFFAOYSA-N 0 0 427.504 4.223 50 0 IIAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(Oc2ccc3c4c(c(=O)oc3c2)CCC4)nc1 ZINC000009616323 569553272 /nfs/dbraw/zinc/55/32/72/569553272.db2.gz UUPKWYXNBGSING-UHFFFAOYSA-N 0 0 442.537 4.277 50 0 IIAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12 ZINC000009627928 569553578 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Cc1c(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)nnn1-c1ccccc1 ZINC000009638353 569554973 /nfs/dbraw/zinc/55/49/73/569554973.db2.gz CEOMYMBJURUHOG-UHFFFAOYSA-N 0 0 441.314 4.109 50 0 IIAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C(=O)OC)C1 ZINC000009639123 569555171 /nfs/dbraw/zinc/55/51/71/569555171.db2.gz HNFMMMKVSGPFSY-UHFFFAOYSA-N 0 0 446.525 4.089 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccc4c(c3)OCO4)[C@H](c3ccco3)C2)cc1 ZINC000009640167 569555329 /nfs/dbraw/zinc/55/53/29/569555329.db2.gz FZAQCOUJPWKQIC-NRFANRHFSA-N 0 0 431.492 4.126 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000009641044 569555515 /nfs/dbraw/zinc/55/55/15/569555515.db2.gz ASKGMSIQDCNTDH-KBPBESRZSA-N 0 0 431.512 4.287 50 0 IIAARN O=c1cc2nc(-c3cccc(F)c3)nc(SCCCOc3ccccc3Cl)n2[nH]1 ZINC000009641059 569555576 /nfs/dbraw/zinc/55/55/76/569555576.db2.gz XWRNURUBBQGNBJ-UHFFFAOYSA-N 0 0 430.892 4.438 50 0 IIAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000009642271 569555788 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CC(=O)NCCCc1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1 ZINC000022283974 519661135 /nfs/dbraw/zinc/66/11/35/519661135.db2.gz LDYFJQFRXLUCIQ-UHFFFAOYSA-N 0 0 430.504 4.165 50 0 IIAARN CC(C)CCNc1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc21 ZINC000020922285 519664673 /nfs/dbraw/zinc/66/46/73/519664673.db2.gz PIQRWEDERISCSU-UHFFFAOYSA-N 0 0 435.962 4.283 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000012364222 519687727 /nfs/dbraw/zinc/68/77/27/519687727.db2.gz IAQQPKKCHJCVJZ-VWLOTQADSA-N 0 0 441.531 4.077 50 0 biogenic,in-vitro IIAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000021965979 519706554 /nfs/dbraw/zinc/70/65/54/519706554.db2.gz MXNQOFROQGLVGW-UHFFFAOYSA-N 0 0 435.455 4.465 50 0 IIAARN CC(C)NC(=O)NC1CCC(Nc2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006273 519711716 /nfs/dbraw/zinc/71/17/16/519711716.db2.gz JLYHHDVOHPUBDK-UHFFFAOYSA-N 0 0 433.560 4.124 50 0 IIAARN CC(C)CN(Cn1nc(Nc2ccccc2Cl)sc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012924345 519719188 /nfs/dbraw/zinc/71/91/88/519719188.db2.gz WLBFHHNGPMBYIA-CYBMUJFWSA-N 0 0 447.051 4.174 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012784528 519721678 /nfs/dbraw/zinc/72/16/78/519721678.db2.gz YYQUUUNMBXGXFL-UHFFFAOYSA-N 0 0 444.413 4.288 50 0 IIAARN CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000012758454 519733382 /nfs/dbraw/zinc/73/33/82/519733382.db2.gz GZDBJDWLROEASN-UHFFFAOYSA-N 0 0 440.569 4.250 50 0 IIAARN CC(=O)Nc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1 ZINC000021364276 519741094 /nfs/dbraw/zinc/74/10/94/519741094.db2.gz SMDKBFMXPVSROT-GFCCVEGCSA-N 0 0 439.821 4.309 50 0 IIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccc(F)cc2)c1=O ZINC000021789350 519750103 /nfs/dbraw/zinc/75/01/03/519750103.db2.gz BCZDFLWASFBIJH-HNNXBMFYSA-N 0 0 444.466 4.361 50 0 IIAARN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)c1nc3sc(C)c(C)c3c(=O)[nH]1)CCCC2 ZINC000022616563 519753991 /nfs/dbraw/zinc/75/39/91/519753991.db2.gz RCHIMXCHOHFPHQ-SNVBAGLBSA-N 0 0 445.566 4.418 50 0 IIAARN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000012877652 519755297 /nfs/dbraw/zinc/75/52/97/519755297.db2.gz LMRPLLZUGUXFDJ-OHXQFZBQSA-N 0 0 448.600 4.022 50 0 biogenic IIAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526582 519762244 /nfs/dbraw/zinc/76/22/44/519762244.db2.gz UAYOVDSGCBKIOA-DEOSSOPVSA-N 0 0 429.561 4.103 50 0 IIAARN CC(C)OCCCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nc2ccccc2c1=O ZINC000012756549 519765083 /nfs/dbraw/zinc/76/50/83/519765083.db2.gz WCEPLKYVKSAGNO-CEXWTWQISA-N 0 0 445.629 4.197 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccc1 ZINC000012409517 519820044 /nfs/dbraw/zinc/82/00/44/519820044.db2.gz SOTABTYAIRNVRH-NRFANRHFSA-N 0 0 432.549 4.158 50 0 IIAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1I ZINC000012599651 519825669 /nfs/dbraw/zinc/82/56/69/519825669.db2.gz UVVDKPVTUHAIBW-CPUCHLNUSA-N 0 0 444.309 4.452 50 0 IIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000035535522 519825796 /nfs/dbraw/zinc/82/57/96/519825796.db2.gz ZJDHXMIUYBZZJY-KBRIMQKVSA-N 0 0 444.309 4.452 50 0 IIAARN CC(C)c1ccc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C(C)C)c1 ZINC000021624978 519834378 /nfs/dbraw/zinc/83/43/78/519834378.db2.gz UFNHMFHWGAPJGJ-HNNXBMFYSA-N 0 0 436.599 4.269 50 0 IIAARN CC(C)c1ccc(CNC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1 ZINC000033063496 519836120 /nfs/dbraw/zinc/83/61/20/519836120.db2.gz TWWSOYQCKDQSSS-HSZRJFAPSA-N 0 0 435.549 4.143 50 0 IIAARN CC(C)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 ZINC000012233109 519837150 /nfs/dbraw/zinc/83/71/50/519837150.db2.gz XTIZTPVNDGRWNI-LJQANCHMSA-N 0 0 445.548 4.381 50 0 IIAARN CC(C)c1ccc2occ(CC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000012062883 519840772 /nfs/dbraw/zinc/84/07/72/519840772.db2.gz UXRHFNQOGOGKHE-OAQYLSRUSA-N 0 0 425.550 4.315 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000015355455 519877472 /nfs/dbraw/zinc/87/74/72/519877472.db2.gz KUDDAKLWNWEYQP-JTSKRJEESA-N 0 0 439.508 4.411 50 0 IIAARN CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)s1 ZINC000012741934 519890385 /nfs/dbraw/zinc/89/03/85/519890385.db2.gz UHADZMBINHBNBC-UHFFFAOYSA-N 0 0 436.946 4.368 50 0 IIAARN CCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 ZINC000012778622 519918189 /nfs/dbraw/zinc/91/81/89/519918189.db2.gz OZMFORSIMNFPLA-UHFFFAOYSA-N 0 0 438.549 4.252 50 0 IIAARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000037385549 520044427 /nfs/dbraw/zinc/04/44/27/520044427.db2.gz QJFDFFBGUWWVIS-UHFFFAOYSA-N 0 0 436.512 4.097 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccc(NC(=O)/C=C/c4ccccc4)cc3)cc(=O)n21 ZINC000021525759 520052713 /nfs/dbraw/zinc/05/27/13/520052713.db2.gz ZYDUPANVTLIZIZ-MDWZMJQESA-N 0 0 445.548 4.416 50 0 IIAARN CCCCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020677694 520086873 /nfs/dbraw/zinc/08/68/73/520086873.db2.gz NSCCDSKKHCDSEJ-QFIPXVFZSA-N 0 0 432.586 4.110 50 0 IIAARN CCCCCN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1nc(C)c(C(=O)OCC)s1 ZINC000022311335 520144960 /nfs/dbraw/zinc/14/49/60/520144960.db2.gz ZKOYIKVKABBEMO-MRXNPFEDSA-N 0 0 429.542 4.277 50 0 IIAARN CCCCCc1c(C(=O)OC)nnn1-c1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC000012858320 520321040 /nfs/dbraw/zinc/32/10/40/520321040.db2.gz XOCTYWZIGCKQOX-UHFFFAOYSA-N 0 0 427.936 4.438 50 0 IIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000012398610 520351984 /nfs/dbraw/zinc/35/19/84/520351984.db2.gz UKVAVKHXIYNUDI-UHFFFAOYSA-N 0 0 438.336 4.138 50 0 IIAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(=O)C1CC1 ZINC000036061065 520371498 /nfs/dbraw/zinc/37/14/98/520371498.db2.gz QUQAKTDLHTULLE-UHFFFAOYSA-N 0 0 446.551 4.362 50 0 IIAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CSc2ccncc2)CC1 ZINC000012429816 520458123 /nfs/dbraw/zinc/45/81/23/520458123.db2.gz NWJHHNKDCVOSEY-UHFFFAOYSA-N 0 0 426.582 4.369 50 0 IIAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000012575554 520464598 /nfs/dbraw/zinc/46/45/98/520464598.db2.gz BLAZFJLHYMPCMV-UHFFFAOYSA-N 0 0 447.453 4.303 50 0 IIAARN CCCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCOC)c1 ZINC000021782989 520471843 /nfs/dbraw/zinc/47/18/43/520471843.db2.gz NQBHBUHYCZUDGP-DEOSSOPVSA-N 0 0 435.524 4.380 50 0 IIAARN CCOC(=O)C1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc3c(c2)OCO3)CC1 ZINC000035888483 520563549 /nfs/dbraw/zinc/56/35/49/520563549.db2.gz SHCHBSDMSADCHM-FQEVSTJZSA-N 0 0 448.519 4.220 50 0 IIAARN CC1(C)Cc2cccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2O1 ZINC000012536934 520581179 /nfs/dbraw/zinc/58/11/79/520581179.db2.gz LCDXYCWCWANASK-UHFFFAOYSA-N 0 0 434.458 4.147 50 0 IIAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 ZINC000021706357 520655498 /nfs/dbraw/zinc/65/54/98/520655498.db2.gz SRAXKZHNGVBWFJ-GOSISDBHSA-N 0 0 441.959 4.361 50 0 IIAARN CCOc1cc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC ZINC000021834610 520663492 /nfs/dbraw/zinc/66/34/92/520663492.db2.gz BTUQNYZOXCONOL-UHFFFAOYSA-N 0 0 434.920 4.213 50 0 IIAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000035925791 520675812 /nfs/dbraw/zinc/67/58/12/520675812.db2.gz YWOOQVFUOVDXPM-GOSISDBHSA-N 0 0 434.588 4.414 50 0 IIAARN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Cl)ccc1F ZINC000012526763 520698472 /nfs/dbraw/zinc/69/84/72/520698472.db2.gz NZVQTTDTJWNNQM-UHFFFAOYSA-N 0 0 427.929 4.194 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000012777619 520792025 /nfs/dbraw/zinc/79/20/25/520792025.db2.gz LZKRPKYZNRUGQI-UHFFFAOYSA-N 0 0 443.594 4.079 50 0 IIAARN CCOc1cc2c(cc1NC(=O)CNC(=O)CC13CC4CC(CC(C4)C1)C3)O[C@@H](C)C2 ZINC000012748057 520795094 /nfs/dbraw/zinc/79/50/94/520795094.db2.gz ROYXPNSCFXRARI-SBNSQYLKSA-N 0 0 426.557 4.070 50 0 IIAARN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC2 ZINC000022276722 520798828 /nfs/dbraw/zinc/79/88/28/520798828.db2.gz AETDNGHKPOCDLG-HSZRJFAPSA-N 0 0 430.589 4.090 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)cc1Br)NCC2 ZINC000020478023 520800049 /nfs/dbraw/zinc/80/00/49/520800049.db2.gz QZOWSGFQNCCZEG-OAQYLSRUSA-N 0 0 436.346 4.499 50 0 IIAARN CCOc1ccc(-c2nnc3sc(NC(=O)c4ccc(Br)cc4)nn32)cc1 ZINC000041108799 520825657 /nfs/dbraw/zinc/82/56/57/520825657.db2.gz KJYTUPHRUWYZAL-UHFFFAOYSA-N 0 0 444.314 4.266 50 0 IIAARN CCCCOc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC ZINC000014248389 520847319 /nfs/dbraw/zinc/84/73/19/520847319.db2.gz WGOVSLSUPCPXOW-BOPFTXTBSA-N 0 0 441.480 4.244 50 0 IIAARN CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)NC(C)C)CC4)nccn3n2)cc1 ZINC000021932533 520851284 /nfs/dbraw/zinc/85/12/84/520851284.db2.gz YVWGUTQXKJODBU-UHFFFAOYSA-N 0 0 435.572 4.316 50 0 IIAARN CCOc1ccc(C(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000009833726 520893850 /nfs/dbraw/zinc/89/38/50/520893850.db2.gz PXEPYXKTSKCVAY-SFHVURJKSA-N 0 0 435.929 4.095 50 0 IIAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 ZINC000021467716 520912575 /nfs/dbraw/zinc/91/25/75/520912575.db2.gz RLIJGQABBRLEJO-UHFFFAOYSA-N 0 0 434.539 4.021 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1 ZINC000011902172 520912938 /nfs/dbraw/zinc/91/29/38/520912938.db2.gz QLDYENHHWXNNDD-UHFFFAOYSA-N 0 0 430.486 4.016 50 0 IIAARN CC1CCN(C(=O)[C@@H]2c3ccccc3CCN2CC(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000033312878 520985448 /nfs/dbraw/zinc/98/54/48/520985448.db2.gz GZAQYJKRUYTNKZ-QHCPKHFHSA-N 0 0 443.950 4.276 50 0 IIAARN CCOc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000033048935 520985529 /nfs/dbraw/zinc/98/55/29/520985529.db2.gz CTJLQWBGSOLMLE-UHFFFAOYSA-N 0 0 447.922 4.432 50 0 IIAARN CCN(CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1 ZINC000035510052 521020495 /nfs/dbraw/zinc/02/04/95/521020495.db2.gz QJONINDDRIOZAA-HXUWFJFHSA-N 0 0 427.976 4.225 50 0 IIAARN CC1CCN(c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@@H]2CCCO2)CC1 ZINC000022328050 521050006 /nfs/dbraw/zinc/05/00/06/521050006.db2.gz LBHOYAYDNJNBHK-KRWDZBQOSA-N 0 0 429.546 4.234 50 0 IIAARN CCOc1ccc(NC(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1 ZINC000012224288 521088078 /nfs/dbraw/zinc/08/80/78/521088078.db2.gz BWCZZNWBVDINDN-UHFFFAOYSA-N 0 0 433.512 4.330 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccc(Br)cc2)C[C@@H]1C=C(Cl)Cl ZINC000035327726 521090720 /nfs/dbraw/zinc/09/07/20/521090720.db2.gz USKADVQUDVUYMR-GLZQIGESSA-N 0 0 436.129 4.114 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020889206 521117382 /nfs/dbraw/zinc/11/73/82/521117382.db2.gz CKDIKTPNBWCDNC-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN CCCC[C@H](C(=O)OCCC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017889195 521126176 /nfs/dbraw/zinc/12/61/76/521126176.db2.gz FSKALXHCHZICHX-INSWNQOLSA-N 0 0 431.532 4.391 50 0 IIAARN CCOc1ccc(OCC(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cc1 ZINC000012906113 521164953 /nfs/dbraw/zinc/16/49/53/521164953.db2.gz KAIWVQKURCJPJM-UHFFFAOYSA-N 0 0 426.494 4.187 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O ZINC000000981239 521198690 /nfs/dbraw/zinc/19/86/90/521198690.db2.gz PLRGAKSXKFVBCQ-GPILYODUSA-N 0 0 427.906 4.124 50 0 IIAARN CCOc1ccc(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000021152701 521199302 /nfs/dbraw/zinc/19/93/02/521199302.db2.gz XDYZREQACISRPP-UHFFFAOYSA-N 0 0 431.504 4.496 50 0 IIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000020899542 521228082 /nfs/dbraw/zinc/22/80/82/521228082.db2.gz JYSFGBRBBIFRKM-UHFFFAOYSA-N 0 0 440.503 4.359 50 0 IIAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC ZINC000021523835 521249260 /nfs/dbraw/zinc/24/92/60/521249260.db2.gz KWOBVLGBFBSHFN-QFIPXVFZSA-N 0 0 439.537 4.371 50 0 IIAARN CCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1cccc(OC)c1 ZINC000036012430 521282377 /nfs/dbraw/zinc/28/23/77/521282377.db2.gz WGXWMPQPXJIWFO-UHFFFAOYSA-N 0 0 426.469 4.038 50 0 IIAARN CCOc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)sc2c1 ZINC000012631571 521307827 /nfs/dbraw/zinc/30/78/27/521307827.db2.gz ZWVZNKJCQCWYML-UHFFFAOYSA-N 0 0 429.567 4.193 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000012192067 521357947 /nfs/dbraw/zinc/35/79/47/521357947.db2.gz NJCMXPDQMOIYGI-VWLOTQADSA-N 0 0 425.525 4.040 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)c2ccc(OCC)cc2)c1C ZINC000021714497 521366519 /nfs/dbraw/zinc/36/65/19/521366519.db2.gz ODQMQAGYPBDUTO-HXUWFJFHSA-N 0 0 428.529 4.028 50 0 IIAARN CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O ZINC000009663612 521373253 /nfs/dbraw/zinc/37/32/53/521373253.db2.gz SGDKVOZOXBPLRH-HNNXBMFYSA-N 0 0 438.553 4.274 50 0 IIAARN CCCCn1c2nnc(SCC(=O)Nc3ccccc3Cl)n2c2ccsc2c1=O ZINC000035531924 521379666 /nfs/dbraw/zinc/37/96/66/521379666.db2.gz OURZNOFPKWFUAR-UHFFFAOYSA-N 0 0 447.973 4.290 50 0 IIAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@H](C)Cn1ccc(C(F)(F)F)n1 ZINC000036616540 521395559 /nfs/dbraw/zinc/39/55/59/521395559.db2.gz SRRCKEZKGGTKBO-CYBMUJFWSA-N 0 0 448.493 4.451 50 0 IIAARN CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)sc(Cl)c1-c1ccccc1 ZINC000012625230 521408960 /nfs/dbraw/zinc/40/89/60/521408960.db2.gz WZMGINGFOSDTPB-OKILXGFUSA-N 0 0 436.961 4.293 50 0 IIAARN CCCc1ccc([C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000012763933 521414313 /nfs/dbraw/zinc/41/43/13/521414313.db2.gz LRVVMIWUZOZJOT-HSZRJFAPSA-N 0 0 436.533 4.065 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)s2)on1 ZINC000020994822 521424678 /nfs/dbraw/zinc/42/46/78/521424678.db2.gz JRKNIFDYZLJGSO-UHFFFAOYSA-N 0 0 444.534 4.058 50 0 IIAARN CCOc1ccccc1C(=O)Nc1sc(SCC(=O)NC)nc1-c1ccccc1 ZINC000012442923 521462184 /nfs/dbraw/zinc/46/21/84/521462184.db2.gz PTHNLRNKZKLTIP-UHFFFAOYSA-N 0 0 427.551 4.299 50 0 IIAARN CCN(c1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1)C(C)C ZINC000012537112 521488829 /nfs/dbraw/zinc/48/88/29/521488829.db2.gz QSQUDLCLKOGESB-UHFFFAOYSA-N 0 0 426.586 4.283 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000012594296 521500824 /nfs/dbraw/zinc/50/08/24/521500824.db2.gz UEUBSVUTOJUBSI-UHFFFAOYSA-N 0 0 447.560 4.356 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1 ZINC000020436019 521512101 /nfs/dbraw/zinc/51/21/01/521512101.db2.gz CARAKGCIIQQPLE-UHFFFAOYSA-N 0 0 427.503 4.131 50 0 IIAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)s1)n2CC ZINC000012180897 521532713 /nfs/dbraw/zinc/53/27/13/521532713.db2.gz NYRZKUUNFAKEII-HTXNQAPBSA-N 0 0 439.356 4.465 50 0 IIAARN CCOC(=O)c1cccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c1 ZINC000021105820 521548128 /nfs/dbraw/zinc/54/81/28/521548128.db2.gz SMJXZZOADMHHDN-JOCHJYFZSA-N 0 0 433.464 4.047 50 0 IIAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc(Cl)cc1Cl ZINC000012778044 521554223 /nfs/dbraw/zinc/55/42/23/521554223.db2.gz VIEZDCTZGNOWTK-UHFFFAOYSA-N 0 0 425.312 4.258 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000020445750 521572838 /nfs/dbraw/zinc/57/28/38/521572838.db2.gz ZUAURKWNJDRDLJ-PMACEKPBSA-N 0 0 425.533 4.384 50 0 IIAARN CCOc1ccccc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C2=C1C(=O)OC2 ZINC000035142875 521590932 /nfs/dbraw/zinc/59/09/32/521590932.db2.gz CDXJCGBDOBHINP-MRXNPFEDSA-N 0 0 428.282 4.179 50 0 IIAARN CCOC(=O)c1sc2ncnc(NCC[C@@](O)(c3ccc(C)o3)C(F)(F)F)c2c1C ZINC000022751622 521619572 /nfs/dbraw/zinc/61/95/72/521619572.db2.gz CETGSCYLGVWFJR-GOSISDBHSA-N 0 0 443.447 4.330 50 0 IIAARN CCCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(-c2cccs2)o1 ZINC000021472682 521669048 /nfs/dbraw/zinc/66/90/48/521669048.db2.gz WPOOZZQWXYSTMA-UHFFFAOYSA-N 0 0 425.963 4.137 50 0 IIAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1 ZINC000020604876 521693327 /nfs/dbraw/zinc/69/33/27/521693327.db2.gz NCOXTKVVJWQJBO-UHFFFAOYSA-N 0 0 429.548 4.466 50 0 IIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1c(C)cc(C)cc1C ZINC000012886964 521693815 /nfs/dbraw/zinc/69/38/15/521693815.db2.gz AULATHOZJAVLDB-UHFFFAOYSA-N 0 0 427.932 4.319 50 0 IIAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)Nc3ccccc3F)cc2)C(C(=O)OC)=C1C ZINC000035711902 521700880 /nfs/dbraw/zinc/70/08/80/521700880.db2.gz VZPAKZPLGWNUBX-FQEVSTJZSA-N 0 0 440.475 4.393 50 0 IIAARN CCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021864396 521705924 /nfs/dbraw/zinc/70/59/24/521705924.db2.gz RJWWXOPTYNFJOM-RUZDIDTESA-N 0 0 441.572 4.228 50 0 IIAARN CCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864391 521706133 /nfs/dbraw/zinc/70/61/33/521706133.db2.gz RJWWXOPTYNFJOM-VWLOTQADSA-N 0 0 441.572 4.228 50 0 IIAARN CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCS3 ZINC000012771944 521738842 /nfs/dbraw/zinc/73/88/42/521738842.db2.gz SSBGVVBSEDKXTC-UHFFFAOYSA-N 0 0 431.608 4.022 50 0 IIAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000035945316 521742988 /nfs/dbraw/zinc/74/29/88/521742988.db2.gz AGQQPRYGUGWHDH-UHFFFAOYSA-N 0 0 426.542 4.391 50 0 IIAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713866 521745691 /nfs/dbraw/zinc/74/56/91/521745691.db2.gz QKRPDKIWHFEXHT-UUOWRZLLSA-N 0 0 432.520 4.279 50 0 IIAARN CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)c1 ZINC000035535064 521757076 /nfs/dbraw/zinc/75/70/76/521757076.db2.gz ITYJGRXEMJUGFE-UHFFFAOYSA-N 0 0 425.488 4.137 50 0 IIAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21 ZINC000021151457 521881850 /nfs/dbraw/zinc/88/18/50/521881850.db2.gz MQJIQVGCBKMASS-UHFFFAOYSA-N 0 0 443.478 4.276 50 0 IIAARN COc1cc(-c2nnc(CSc3ccc(C(F)(F)F)cn3)o2)cc(OC)c1OC ZINC000012634109 521908773 /nfs/dbraw/zinc/90/87/73/521908773.db2.gz YIHMQJDYVHQWAB-UHFFFAOYSA-N 0 0 427.404 4.469 50 0 IIAARN COc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OC ZINC000012748664 521927160 /nfs/dbraw/zinc/92/71/60/521927160.db2.gz IHNIFRAFXGYCTN-DVQDXYAYSA-N 0 0 428.916 4.248 50 0 IIAARN COC(=O)c1ccc(-c2nc(CN3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000012200736 521928636 /nfs/dbraw/zinc/92/86/36/521928636.db2.gz PXPBZZJVUHTTSD-OAQYLSRUSA-N 0 0 426.538 4.444 50 0 IIAARN COc1cc(/C=C\C(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc(OC)c1OC ZINC000022768961 521981760 /nfs/dbraw/zinc/98/17/60/521981760.db2.gz XTHGSIBOCBLYFG-DAXSKMNVSA-N 0 0 431.391 4.402 50 0 IIAARN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000012761164 522008724 /nfs/dbraw/zinc/00/87/24/522008724.db2.gz KMEOSBMNCULXJR-NRFANRHFSA-N 0 0 448.394 4.265 50 0 IIAARN COCCn1c2ncc(NC[C@@H]3CC=CCC3)cc2c(NC(=O)CC(C)C)c1C(=O)OC ZINC000014740530 522076527 /nfs/dbraw/zinc/07/65/27/522076527.db2.gz CJCZJIXBKKXXHA-QGZVFWFLSA-N 0 0 442.560 4.222 50 0 IIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(C)(=O)=O)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000035770506 522098513 /nfs/dbraw/zinc/09/85/13/522098513.db2.gz WZDZJPJGZPKIIR-CYBMUJFWSA-N 0 0 442.484 4.144 50 0 IIAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000012931869 522099695 /nfs/dbraw/zinc/09/96/95/522099695.db2.gz ZXKVNIRJHDZGSL-MRXNPFEDSA-N 0 0 442.357 4.376 50 0 IIAARN CCc1nc(-c2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)c(C)s2)no1 ZINC000035554731 522140895 /nfs/dbraw/zinc/14/08/95/522140895.db2.gz FVFVLLNEGGWDGJ-GFCCVEGCSA-N 0 0 430.917 4.314 50 0 IIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561628 522165544 /nfs/dbraw/zinc/16/55/44/522165544.db2.gz QWMSBFSODGWWAZ-OFVILXPXSA-N 0 0 442.471 4.487 50 0 IIAARN COC(=O)c1cccc(C(=O)NCc2nc(-c3cccc(NC(=O)CC(C)C)c3)oc2C)c1 ZINC000012452381 522199225 /nfs/dbraw/zinc/19/92/25/522199225.db2.gz DHDYLFXMGCKMLJ-UHFFFAOYSA-N 0 0 449.507 4.351 50 0 IIAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000020564590 522213282 /nfs/dbraw/zinc/21/32/82/522213282.db2.gz RZZYCNLYPAHCKU-PBHICJAKSA-N 0 0 440.979 4.217 50 0 IIAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(C[C@H]1CCCO1)C(=O)NC(C)(C)C ZINC000035945038 522222399 /nfs/dbraw/zinc/22/23/99/522222399.db2.gz XYZYUFPDRXHLIN-OAQYLSRUSA-N 0 0 444.620 4.370 50 0 IIAARN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c1 ZINC000012771758 522234692 /nfs/dbraw/zinc/23/46/92/522234692.db2.gz MCNLBVQUZRNIGA-SFHVURJKSA-N 0 0 446.503 4.126 50 0 IIAARN CC[C@H](COC)NC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000012212588 522257423 /nfs/dbraw/zinc/25/74/23/522257423.db2.gz BJYZOEUPGZWSTD-MRXNPFEDSA-N 0 0 437.569 4.290 50 0 IIAARN CN(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000012306122 522258604 /nfs/dbraw/zinc/25/86/04/522258604.db2.gz URTJMHAMGWCYJP-SFHVURJKSA-N 0 0 427.976 4.355 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)c1cn2ccc(C)cc2n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000069484613 522312092 /nfs/dbraw/zinc/31/20/92/522312092.db2.gz NKMJCJVHBCIBLF-WZONZLPQSA-N 0 0 433.556 4.026 50 0 IIAARN COc1cc(CC(=O)Nc2nc(SCc3ccccc3)ns2)cc(OC)c1OC ZINC000012790726 522321236 /nfs/dbraw/zinc/32/12/36/522321236.db2.gz XYQMVEJAVVHZFM-UHFFFAOYSA-N 0 0 431.539 4.037 50 0 IIAARN COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2)ccc1O[C@@H]1CCOC1 ZINC000012456767 522363284 /nfs/dbraw/zinc/36/32/84/522363284.db2.gz ZAUSQBSDEHSEFY-JOCHJYFZSA-N 0 0 436.483 4.240 50 0 IIAARN COc1cc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC ZINC000012387289 522372036 /nfs/dbraw/zinc/37/20/36/522372036.db2.gz CCGKQFCYXOUTRX-LJQANCHMSA-N 0 0 427.541 4.433 50 0 IIAARN COc1cc(CN2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)cc(OC)c1 ZINC000012199881 522388928 /nfs/dbraw/zinc/38/89/28/522388928.db2.gz BLGLIRGXIXQMBL-MHZLTWQESA-N 0 0 449.547 4.385 50 0 IIAARN CN(CC(=O)N(Cc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000021336477 522426950 /nfs/dbraw/zinc/42/69/50/522426950.db2.gz TXPRYKPCPKWBJR-UHFFFAOYSA-N 0 0 434.970 4.255 50 0 IIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccc(OC)cc2)n1 ZINC000036002868 522440653 /nfs/dbraw/zinc/44/06/53/522440653.db2.gz JMAYQQFTSDRMNE-QGZVFWFLSA-N 0 0 444.539 4.180 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000035961649 522451716 /nfs/dbraw/zinc/45/17/16/522451716.db2.gz QLIGFJCHAIXORE-HSZRJFAPSA-N 0 0 433.458 4.415 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F)C(=O)C1CCC1 ZINC000035945855 522452487 /nfs/dbraw/zinc/45/24/87/522452487.db2.gz JKBRJLWBBHJPPL-NRFANRHFSA-N 0 0 427.907 4.415 50 0 IIAARN CC[C@@H](C)n1cc(C(=O)N(C)CCc2ccccc2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012450949 522453754 /nfs/dbraw/zinc/45/37/54/522453754.db2.gz OGMXJORKSYFVRJ-HXUWFJFHSA-N 0 0 437.584 4.150 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Br)cc1 ZINC000022374276 522503268 /nfs/dbraw/zinc/50/32/68/522503268.db2.gz QAAPHPIGJJEBFU-UHFFFAOYSA-N 0 0 430.129 4.396 50 0 IIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCSc1ccc(F)cc1 ZINC000012906681 522517787 /nfs/dbraw/zinc/51/77/87/522517787.db2.gz DJZGATKZFGRTOV-UHFFFAOYSA-N 0 0 425.323 4.168 50 0 IIAARN CC[C@@H](COC)NC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000012039055 522592845 /nfs/dbraw/zinc/59/28/45/522592845.db2.gz YMPXQEGNNWTJKD-INIZCTEOSA-N 0 0 425.558 4.040 50 0 IIAARN COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000022836480 522624945 /nfs/dbraw/zinc/62/49/45/522624945.db2.gz WSQUBZINRVBRGS-AWEZNQCLSA-N 0 0 430.888 4.419 50 0 IIAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3c[nH]c4ccccc43)C2)cc(OC)c1 ZINC000012704943 522655158 /nfs/dbraw/zinc/65/51/58/522655158.db2.gz NONQNPRVBRGTIC-QGZVFWFLSA-N 0 0 435.524 4.456 50 0 IIAARN CC[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000032986215 522676036 /nfs/dbraw/zinc/67/60/36/522676036.db2.gz RTBIHYQAWUNFMZ-QGZVFWFLSA-N 0 0 428.330 4.276 50 0 IIAARN COc1cc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000012344151 522688853 /nfs/dbraw/zinc/68/88/53/522688853.db2.gz TWNSMMFTDCHLRS-OAQYLSRUSA-N 0 0 443.450 4.429 50 0 IIAARN CC[C@@H](NC(=O)Cc1c(C)nc2nc(SC)nn2c1C)C12CC3CC(CC(C3)C1)C2 ZINC000036760995 522695976 /nfs/dbraw/zinc/69/59/76/522695976.db2.gz MXWUDUBKMKXOQS-YLSHDAJPSA-N 0 0 427.618 4.117 50 0 IIAARN COc1cc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc(OC)c1 ZINC000033127886 522698067 /nfs/dbraw/zinc/69/80/67/522698067.db2.gz YKYGUZBTCQSLOR-QHCPKHFHSA-N 0 0 431.492 4.156 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc(OC)c1 ZINC000035398149 522709977 /nfs/dbraw/zinc/70/99/77/522709977.db2.gz IRRLRASFDHDHHA-LJQANCHMSA-N 0 0 432.524 4.324 50 0 IIAARN CCc1nn2c(ncc3c2ccn(-c2cccc(OC)c2)c3=O)c1-c1ccc(OC)cc1 ZINC000020733626 522711607 /nfs/dbraw/zinc/71/16/07/522711607.db2.gz YWVLNDJGDXXDFD-UHFFFAOYSA-N 0 0 426.476 4.280 50 0 IIAARN COc1cc(OC)c(NC(=O)CCc2ccc3nc(NC(C)=O)sc3c2)cc1Cl ZINC000032959344 522798961 /nfs/dbraw/zinc/79/89/61/522798961.db2.gz AUYKVDHCOBCQLB-UHFFFAOYSA-N 0 0 433.917 4.497 50 0 IIAARN COc1cc(OC)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)C(C)C)cc1Cl ZINC000033127540 522806362 /nfs/dbraw/zinc/80/63/62/522806362.db2.gz WLFNGPOCOFUTGN-FQEVSTJZSA-N 0 0 431.920 4.093 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)c1 ZINC000015881048 522859933 /nfs/dbraw/zinc/85/99/33/522859933.db2.gz WLPMAVSYEBXKBV-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(OC(F)F)c(OC)c1 ZINC000012554399 522871281 /nfs/dbraw/zinc/87/12/81/522871281.db2.gz NAFFZABAXJMHNB-LJQANCHMSA-N 0 0 448.491 4.488 50 0 IIAARN COC(=O)C1=C(NCCc2c[nH]c3ccccc23)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000022172738 522895117 /nfs/dbraw/zinc/89/51/17/522895117.db2.gz QGLQPQSUYKIURL-BJKOFHAPSA-N 0 0 444.531 4.260 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)ccc1O ZINC000012419070 522959626 /nfs/dbraw/zinc/95/96/26/522959626.db2.gz WFLWZVPFPWFUJA-CQSZACIVSA-N 0 0 449.937 4.423 50 0 IIAARN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000012885287 522967059 /nfs/dbraw/zinc/96/70/59/522967059.db2.gz BKGNLSHFTSZWQC-IGKWTDBASA-N 0 0 444.959 4.361 50 0 biogenic IIAARN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000017028970 522967128 /nfs/dbraw/zinc/96/71/28/522967128.db2.gz ITSCQCNNKPDZBV-KIVTUJJHSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN COC(=O)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020731533 523025212 /nfs/dbraw/zinc/02/52/12/523025212.db2.gz GDIMODJPEQGPEB-QHCPKHFHSA-N 0 0 434.536 4.203 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccs1)N(Cc1ccc(F)cc1)CC2 ZINC000036040787 523036129 /nfs/dbraw/zinc/03/61/29/523036129.db2.gz WACYVXCSJUDLJI-HXUWFJFHSA-N 0 0 440.540 4.434 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036040975 523037896 /nfs/dbraw/zinc/03/78/96/523037896.db2.gz HBMRBANKSBOWFD-RUZDIDTESA-N 0 0 444.575 4.471 50 0 IIAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000036043170 523049612 /nfs/dbraw/zinc/04/96/12/523049612.db2.gz BLHMSWAHOPBXEF-HJPURHCSSA-N 0 0 443.563 4.429 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035448210 523056673 /nfs/dbraw/zinc/05/66/73/523056673.db2.gz XUEQXZOVMHYAOU-OAQYLSRUSA-N 0 0 447.491 4.279 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)Nc1cc(F)ccc1F ZINC000021935559 523079143 /nfs/dbraw/zinc/07/91/43/523079143.db2.gz HSUXRAPZNSZXAY-APPDUMDISA-N 0 0 428.464 4.094 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cc1 ZINC000020603771 523103941 /nfs/dbraw/zinc/10/39/41/523103941.db2.gz SCRIAAMWRPTJOA-ZDUSSCGKSA-N 0 0 437.443 4.327 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)nc3n2)cc1 ZINC000033271801 523106403 /nfs/dbraw/zinc/10/64/03/523106403.db2.gz MERSOFKIUPKPOP-UHFFFAOYSA-N 0 0 427.386 4.379 50 0 IIAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(F)cc2C)c(C)n3C)cc1 ZINC000035448852 523122625 /nfs/dbraw/zinc/12/26/25/523122625.db2.gz JVAYZKKEWKNCLE-UHFFFAOYSA-N 0 0 448.498 4.036 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N(C)Cc4ccc(C)cc4)c(=O)c3s2)cc1 ZINC000012853997 523124365 /nfs/dbraw/zinc/12/43/65/523124365.db2.gz YKNFNILUIROGNC-UHFFFAOYSA-N 0 0 433.533 4.101 50 0 IIAARN COC(=O)CCn1c(SCC(=O)c2c(C)c(C)cc(C)c2C)nc2ccccc2c1=O ZINC000012750697 523129159 /nfs/dbraw/zinc/12/91/59/523129159.db2.gz NEHWXSTUTPESJM-UHFFFAOYSA-N 0 0 438.549 4.168 50 0 IIAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(CC(C)C)C(=O)C3CC3)n2)cc1 ZINC000036044751 523142938 /nfs/dbraw/zinc/14/29/38/523142938.db2.gz NRGIMROCMZAIQM-UHFFFAOYSA-N 0 0 446.551 4.381 50 0 IIAARN CN(Cc1ccc(Br)cc1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012736621 523195866 /nfs/dbraw/zinc/19/58/66/523195866.db2.gz FLHHSHBGWKYSMS-LJQANCHMSA-N 0 0 445.357 4.016 50 0 IIAARN COc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3N)cs2)cc1OC ZINC000012695884 523213957 /nfs/dbraw/zinc/21/39/57/523213957.db2.gz IPUSRCINEXAIPL-UHFFFAOYSA-N 0 0 431.568 4.153 50 0 IIAARN CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc2cccc(OC)c2o1 ZINC000057291762 523220586 /nfs/dbraw/zinc/22/05/86/523220586.db2.gz JVISDTVMFVRUSZ-UHFFFAOYSA-N 0 0 434.521 4.401 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000012784423 523240926 /nfs/dbraw/zinc/24/09/26/523240926.db2.gz HKHSPHVOTUSEQE-JOCHJYFZSA-N 0 0 430.508 4.174 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(Cc3cc(C)on3)CC2)cc1 ZINC000022789706 523243852 /nfs/dbraw/zinc/24/38/52/523243852.db2.gz GMMBHSJCCXOIKQ-UHFFFAOYSA-N 0 0 443.551 4.162 50 0 IIAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1OC ZINC000020847887 523298394 /nfs/dbraw/zinc/29/83/94/523298394.db2.gz OOBADZXDCLDLIK-UHFFFAOYSA-N 0 0 442.903 4.262 50 0 IIAARN COc1ccc(-n2c(=O)c3c(nc2SCc2ccc(F)cc2)CCS3)cc1OC ZINC000012140695 523308471 /nfs/dbraw/zinc/30/84/71/523308471.db2.gz IYCQUNVBRFOSSK-UHFFFAOYSA-N 0 0 430.526 4.329 50 0 IIAARN COc1ccc(-n2ccnc2SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000032869804 523337744 /nfs/dbraw/zinc/33/77/44/523337744.db2.gz UHTYVLVSRRHYBK-UHFFFAOYSA-N 0 0 436.537 4.129 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012542684 523341046 /nfs/dbraw/zinc/34/10/46/523341046.db2.gz ULOJNNDKMGZUDG-SCUMNGBJSA-N 0 0 426.586 4.089 50 0 IIAARN CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000020602490 523369953 /nfs/dbraw/zinc/36/99/53/523369953.db2.gz RXNHZQVRLXGPEK-UHFFFAOYSA-N 0 0 434.359 4.057 50 0 IIAARN CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012634342 523376614 /nfs/dbraw/zinc/37/66/14/523376614.db2.gz KSGZTIDTAMIKGH-UHFFFAOYSA-N 0 0 448.894 4.016 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000015685426 523383580 /nfs/dbraw/zinc/38/35/80/523383580.db2.gz XCDYRPLRLMEVIW-UQQQWYQISA-N 0 0 439.515 4.306 50 0 IIAARN COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cccc(-c4ccc(C)cn4)c3O2)cc1OC ZINC000012191055 523391980 /nfs/dbraw/zinc/39/19/80/523391980.db2.gz CQFFYDNTMSENEZ-JTPHSUOKSA-N 0 0 430.504 4.207 50 0 IIAARN CCn1cc(Cn2cc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cn2)cn1 ZINC000020616305 523400315 /nfs/dbraw/zinc/40/03/15/523400315.db2.gz JIWCIDMOHIJSAW-UHFFFAOYSA-N 0 0 431.525 4.109 50 0 IIAARN CN(Cc1ccco1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000012037410 523425897 /nfs/dbraw/zinc/42/58/97/523425897.db2.gz OPMAOBRSWDSIKS-MHZLTWQESA-N 0 0 442.515 4.154 50 0 IIAARN COC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC34CC5CC(CC(C5)C3)C4)ccc21 ZINC000012414084 523431063 /nfs/dbraw/zinc/43/10/63/523431063.db2.gz PLJQUXJVOHOKTI-UHFFFAOYSA-N 0 0 432.586 4.043 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C1CCCCC1 ZINC000012407472 523498097 /nfs/dbraw/zinc/49/80/97/523498097.db2.gz RLKSRXBAHHHJML-UHFFFAOYSA-N 0 0 432.586 4.493 50 0 IIAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(CCOc2ccccc2)C1=O ZINC000035909127 523607074 /nfs/dbraw/zinc/60/70/74/523607074.db2.gz PLAQLAGSYIAYML-DEOSSOPVSA-N 0 0 444.531 4.446 50 0 IIAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)cc1 ZINC000012079698 523614936 /nfs/dbraw/zinc/61/49/36/523614936.db2.gz HSPZNXUQQUMSQO-UHFFFAOYSA-N 0 0 445.563 4.318 50 0 IIAARN CC[C@]1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O ZINC000252515047 523629027 /nfs/dbraw/zinc/62/90/27/523629027.db2.gz GJHJNHXEWYFLRL-CKNGIIGNSA-N 0 0 428.891 4.306 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000036041246 523667983 /nfs/dbraw/zinc/66/79/83/523667983.db2.gz UNTJLRXCGAJFMS-DNQXCXABSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000032981834 523736213 /nfs/dbraw/zinc/73/62/13/523736213.db2.gz QHEUJHHIJZZYKV-OAHLLOKOSA-N 0 0 447.607 4.370 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc1OC ZINC000009659190 523762877 /nfs/dbraw/zinc/76/28/77/523762877.db2.gz LTFPEONIQADXMY-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563763 523798522 /nfs/dbraw/zinc/79/85/22/523798522.db2.gz LVGFLHNSWRIUSN-HXUWFJFHSA-N 0 0 433.487 4.236 50 0 IIAARN COc1ccc(C)cc1Nc1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cs1 ZINC000035596813 523845412 /nfs/dbraw/zinc/84/54/12/523845412.db2.gz XUBPSHVPEHZKGL-UHFFFAOYSA-N 0 0 429.498 4.482 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@@H](CC(C)C)NC12CCN(C(=S)Nc1ccc(OC)cc1)CC2 ZINC000036032773 523879336 /nfs/dbraw/zinc/87/93/36/523879336.db2.gz WZGJFACLXMUYNI-GHTZIAJQSA-N 0 0 446.661 4.077 50 0 IIAARN COc1ccc(C2=NO[C@](C)([C@@H]3CC(=O)[C@@]4(C)C(c5ccc(OC)cc5)=NO[C@@H]4C3)C2)cc1 ZINC000012402120 523880516 /nfs/dbraw/zinc/88/05/16/523880516.db2.gz LIADFWPROBIAMI-HJOVSWCDSA-N 0 0 448.519 4.375 50 0 IIAARN CCc1ccc(C(=O)Nc2cccc([C@H]3NC(=S)N(CC)C(C)=C3C(=O)OC)c2)cc1 ZINC000035729704 523896669 /nfs/dbraw/zinc/89/66/69/523896669.db2.gz WQEHLDBOCHMATA-OAQYLSRUSA-N 0 0 437.565 4.199 50 0 IIAARN COc1ccc(CC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OC ZINC000021639138 523906637 /nfs/dbraw/zinc/90/66/37/523906637.db2.gz TUNYZWOZOSOAKH-QHCPKHFHSA-N 0 0 429.476 4.202 50 0 IIAARN CCc1ccc(CNC(=O)CCC(=O)N2CCSc3c2c(C)nn3-c2ccccc2)cc1 ZINC000021636526 523933065 /nfs/dbraw/zinc/93/30/65/523933065.db2.gz COOBJMNMXFPRGC-UHFFFAOYSA-N 0 0 448.592 4.278 50 0 IIAARN CN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCCCC1 ZINC000012790035 523936626 /nfs/dbraw/zinc/93/66/26/523936626.db2.gz NVVUHTUBMWGDHM-UHFFFAOYSA-N 0 0 426.582 4.228 50 0 IIAARN COc1ccc(CCN(C)Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)cc1OC ZINC000012913745 523941294 /nfs/dbraw/zinc/94/12/94/523941294.db2.gz DXORRPYBMPFAEK-UHFFFAOYSA-N 0 0 432.977 4.421 50 0 IIAARN COc1ccc(CCNC(=O)c2cn3cc(-c4ccc(C(C)=O)cc4)ccc3n2)cc1OC ZINC000034831095 523970907 /nfs/dbraw/zinc/97/09/07/523970907.db2.gz WLHAHBYXDUFOPK-UHFFFAOYSA-N 0 0 443.503 4.194 50 0 IIAARN COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000012774789 523988536 /nfs/dbraw/zinc/98/85/36/523988536.db2.gz AVGGSGHTLJVKAM-KRWDZBQOSA-N 0 0 448.544 4.013 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035871342 523988849 /nfs/dbraw/zinc/98/88/49/523988849.db2.gz YRBGWXFFQMQJLW-SAWYMBPVSA-N 0 0 431.502 4.488 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3ccccc3C)no2)cc1 ZINC000033277880 523998301 /nfs/dbraw/zinc/99/83/01/523998301.db2.gz JVQTZKGBWCYWTR-KRWDZBQOSA-N 0 0 435.528 4.280 50 0 IIAARN CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000033068335 524005661 /nfs/dbraw/zinc/00/56/61/524005661.db2.gz GFALZHMYJBAEAW-UHFFFAOYSA-N 0 0 443.503 4.162 50 0 IIAARN COc1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000012923648 524012609 /nfs/dbraw/zinc/01/26/09/524012609.db2.gz CQHPKQRSZNONLM-AWNIVKPZSA-N 0 0 432.442 4.192 50 0 IIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)cc1OCC1(C)COC1 ZINC000014881787 524013503 /nfs/dbraw/zinc/01/35/03/524013503.db2.gz LZJZLHZGRKQOTD-NRFANRHFSA-N 0 0 443.515 4.071 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)c2cccc(OC)c2)C2CCCCC2)c1C ZINC000036000832 524022307 /nfs/dbraw/zinc/02/23/07/524022307.db2.gz RDKLUDZWVAGRAV-UHFFFAOYSA-N 0 0 426.513 4.085 50 0 IIAARN CN(C)C(=O)c1cccc(NC(=O)c2cc(Br)c(Br)s2)c1 ZINC000022509606 524030061 /nfs/dbraw/zinc/03/00/61/524030061.db2.gz JWSSCNZXMNGIJH-UHFFFAOYSA-N 0 0 432.137 4.227 50 0 IIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4ccccc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035885025 524042879 /nfs/dbraw/zinc/04/28/79/524042879.db2.gz CJIRUPVZOUUXQI-SFHVURJKSA-N 0 0 430.504 4.186 50 0 IIAARN COc1ccc(CNC(=O)CCCN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1 ZINC000015680055 524047393 /nfs/dbraw/zinc/04/73/93/524047393.db2.gz SEKWIQUNONSNAZ-UHFFFAOYSA-N 0 0 431.492 4.248 50 0 IIAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(C)ccc1OC ZINC000021176743 524059252 /nfs/dbraw/zinc/05/92/52/524059252.db2.gz CTGNUKYOJQFKBN-UHFFFAOYSA-N 0 0 436.533 4.380 50 0 IIAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCN(CC)CC3)c2c1 ZINC000022573922 524060800 /nfs/dbraw/zinc/06/08/00/524060800.db2.gz WOXMPGREKMIGKT-UHFFFAOYSA-N 0 0 437.609 4.389 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)c(OC)c1 ZINC000035398192 524064339 /nfs/dbraw/zinc/06/43/39/524064339.db2.gz QDMOOIIBZCPRLE-NRFANRHFSA-N 0 0 446.551 4.002 50 0 IIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(CCN1CCOCC1)C3=O ZINC000022610864 524098125 /nfs/dbraw/zinc/09/81/25/524098125.db2.gz TWTWCUJURMJQSH-DEOSSOPVSA-N 0 0 446.547 4.102 50 0 IIAARN Cc1cccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccco2)n(C)c(=O)n(C)c3=O)c1 ZINC000021524907 524105542 /nfs/dbraw/zinc/10/55/42/524105542.db2.gz HOAWRTWHUPSZRZ-NRFANRHFSA-N 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Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CC3)ccc2N(C)C)C[C@H]2CCCO2)c1 ZINC000035944753 524166026 /nfs/dbraw/zinc/16/60/26/524166026.db2.gz SPFQKOZHYUPHJI-HSZRJFAPSA-N 0 0 435.568 4.231 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000021861193 524169523 /nfs/dbraw/zinc/16/95/23/524169523.db2.gz QSTAOBHEAQDDCS-AGTLBBOYSA-N 0 0 448.542 4.285 50 0 IIAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)n[nH]1 ZINC000012591845 524191148 /nfs/dbraw/zinc/19/11/48/524191148.db2.gz HFBWJKVGAVZHIK-GFCCVEGCSA-N 0 0 431.949 4.319 50 0 IIAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000012813131 524191708 /nfs/dbraw/zinc/19/17/08/524191708.db2.gz JBLXLJQITFVPAC-STQMWFEESA-N 0 0 441.347 4.246 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000012760789 524222093 /nfs/dbraw/zinc/22/20/93/524222093.db2.gz DSDXGPMLUMANQD-UHFFFAOYSA-N 0 0 425.798 4.050 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195725 524240256 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4.122 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000012792972 524280636 /nfs/dbraw/zinc/28/06/36/524280636.db2.gz QMIVJOVAPXHPIQ-UHFFFAOYSA-N 0 0 437.584 4.126 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c(C)o1 ZINC000012414680 524282293 /nfs/dbraw/zinc/28/22/93/524282293.db2.gz TUMWLJTXLSAZRZ-UHFFFAOYSA-N 0 0 431.496 4.476 50 0 IIAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCCn1nc(C)cc1C ZINC000013128384 524286674 /nfs/dbraw/zinc/28/66/74/524286674.db2.gz KXBXHLANLRJPQA-UHFFFAOYSA-N 0 0 443.551 4.240 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[C@@H]1C ZINC000012863519 524304470 /nfs/dbraw/zinc/30/44/70/524304470.db2.gz SQYKHRACBUOSIN-IIDMSEBBSA-N 0 0 446.535 4.047 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCSc3ccccc32)c(C)c1 ZINC000012793541 524318593 /nfs/dbraw/zinc/31/85/93/524318593.db2.gz HZSUCEMMLNVAPO-UXHICEINSA-N 0 0 444.622 4.118 50 0 IIAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000016903665 524318823 /nfs/dbraw/zinc/31/88/23/524318823.db2.gz LEFXSKJYDIPPPY-UXHICEINSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000012415021 524350356 /nfs/dbraw/zinc/35/03/56/524350356.db2.gz WSBITWSZMWFPLL-UHFFFAOYSA-N 0 0 432.427 4.281 50 0 IIAARN Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000022025173 524354547 /nfs/dbraw/zinc/35/45/47/524354547.db2.gz DGDMEKLPHYFZKB-IBGZPJMESA-N 0 0 436.581 4.178 50 0 IIAARN COc1ccccc1C(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035448040 524356616 /nfs/dbraw/zinc/35/66/16/524356616.db2.gz GASZGPHXPFZZCZ-UHFFFAOYSA-N 0 0 439.855 4.089 50 0 IIAARN COc1ccc(N2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862004 524401768 /nfs/dbraw/zinc/40/17/68/524401768.db2.gz LHUDTSHBRFLICI-SANMLTNESA-N 0 0 446.551 4.303 50 0 IIAARN Cc1cc(C)cc(N(Cc2ccc(F)cc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000021167081 524408735 /nfs/dbraw/zinc/40/87/35/524408735.db2.gz GBPZWEAFRYVDEE-MOPGFXCFSA-N 0 0 438.977 4.371 50 0 IIAARN Cc1cc(C)cc(N(Cc2ccc(F)cc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000021167086 524410043 /nfs/dbraw/zinc/41/00/43/524410043.db2.gz GBPZWEAFRYVDEE-OALUTQOASA-N 0 0 438.977 4.371 50 0 IIAARN Cc1cccc(CNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 ZINC000020565218 524419314 /nfs/dbraw/zinc/41/93/14/524419314.db2.gz SUJZPFAAVJDPMH-UHFFFAOYSA-N 0 0 432.549 4.393 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 ZINC000033087829 524420720 /nfs/dbraw/zinc/42/07/20/524420720.db2.gz XMIWPGIGUVDGSP-UHFFFAOYSA-N 0 0 443.594 4.141 50 0 IIAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000016269311 524440751 /nfs/dbraw/zinc/44/07/51/524440751.db2.gz BLAXRNPEHNJPGG-UHFFFAOYSA-N 0 0 449.576 4.345 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021856995 524444507 /nfs/dbraw/zinc/44/45/07/524444507.db2.gz 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COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000012307352 524482266 /nfs/dbraw/zinc/48/22/66/524482266.db2.gz NIMGQFRZWCOACX-IBGZPJMESA-N 0 0 448.567 4.470 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c(C)c1 ZINC000012711678 524485192 /nfs/dbraw/zinc/48/51/92/524485192.db2.gz USYPMTJNQGEMFI-FQEVSTJZSA-N 0 0 444.597 4.440 50 0 IIAARN COc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cc1Cl ZINC000012799571 524502624 /nfs/dbraw/zinc/50/26/24/524502624.db2.gz KRBMAVGCOXQJCE-UHFFFAOYSA-N 0 0 427.888 4.168 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2)cc1CN1CCn2c(nc3ccccc32)C1 ZINC000021800265 524504301 /nfs/dbraw/zinc/50/43/01/524504301.db2.gz YIBJITVJJTUDBH-UHFFFAOYSA-N 0 0 442.519 4.078 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)c(OC)c1 ZINC000035426738 524511190 /nfs/dbraw/zinc/51/11/90/524511190.db2.gz SCUFMJWKLIUQRO-UHFFFAOYSA-N 0 0 437.525 4.149 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005938 524517784 /nfs/dbraw/zinc/51/77/84/524517784.db2.gz SHFIERGYMBDPEN-HSZRJFAPSA-N 0 0 440.503 4.470 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccccc2)cc1 ZINC000012420943 524522129 /nfs/dbraw/zinc/52/21/29/524522129.db2.gz PPVMUHQNEMYERG-QHCPKHFHSA-N 0 0 443.503 4.104 50 0 IIAARN COc1ccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)cc1Cl ZINC000033174894 524532974 /nfs/dbraw/zinc/53/29/74/524532974.db2.gz MRDJVAVRXRNEPT-UHFFFAOYSA-N 0 0 440.931 4.078 50 0 IIAARN Cc1ccc(CNC(=O)Nc2ccc(N3CCC[C@H](C(=O)NC4CCCCC4)C3)nc2)cc1 ZINC000033303014 524535694 /nfs/dbraw/zinc/53/56/94/524535694.db2.gz YKPFWYUEGQDAHJ-NRFANRHFSA-N 0 0 449.599 4.377 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cnc4scc(-c5ccccc5)n4c3=O)CC2)c1C ZINC000020767878 524552871 /nfs/dbraw/zinc/55/28/71/524552871.db2.gz QDCLNPTZGPFIDB-UHFFFAOYSA-N 0 0 444.560 4.002 50 0 IIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NC(C)C)[C@H]2C1 ZINC000035907830 524565163 /nfs/dbraw/zinc/56/51/63/524565163.db2.gz MDKRNMHJMDXABL-GHTZIAJQSA-N 0 0 447.501 4.106 50 0 IIAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccccc3C)s2)cc1 ZINC000035449247 524581755 /nfs/dbraw/zinc/58/17/55/524581755.db2.gz MFWOVXXCAQORSY-UHFFFAOYSA-N 0 0 429.527 4.230 50 0 IIAARN Cc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C ZINC000012757641 524590642 /nfs/dbraw/zinc/59/06/42/524590642.db2.gz NZFQEMLKOOWOCH-UHFFFAOYSA-N 0 0 432.549 4.339 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1C ZINC000021043104 524662739 /nfs/dbraw/zinc/66/27/39/524662739.db2.gz IQRGXYJYOPGKOB-UHFFFAOYSA-N 0 0 438.505 4.128 50 0 IIAARN Cc1ccc(C[C@@]2(CCC(=O)NCc3cc(C(F)(F)F)ccc3F)CCC(=O)N2)cc1 ZINC000012217772 524667768 /nfs/dbraw/zinc/66/77/68/524667768.db2.gz KNGIUNZDZQILHA-JOCHJYFZSA-N 0 0 436.449 4.441 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000024745921 524670246 /nfs/dbraw/zinc/67/02/46/524670246.db2.gz RTEJKCBQFICWEW-UHFFFAOYSA-N 0 0 432.402 4.419 50 0 IIAARN COc1ccccc1OCCSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 ZINC000012390652 524677334 /nfs/dbraw/zinc/67/73/34/524677334.db2.gz HBXCPKGZTFNTIB-UHFFFAOYSA-N 0 0 433.537 4.147 50 0 IIAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC(OCc4ccccc4)CC3)CCC(=O)N2)cc1 ZINC000014999571 524686865 /nfs/dbraw/zinc/68/68/65/524686865.db2.gz BGPZDXOYAKMDDG-HHHXNRCGSA-N 0 0 434.580 4.174 50 0 IIAARN Cc1cccc(OCC(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)c1 ZINC000033299441 524719056 /nfs/dbraw/zinc/71/90/56/524719056.db2.gz OIMVUYFNULGIBA-UHFFFAOYSA-N 0 0 434.521 4.091 50 0 IIAARN Cc1ccc(Cl)cc1-n1ccn2c(SCC(=O)c3c[nH]c4ccccc34)nnc2c1=O ZINC000035447934 524719211 /nfs/dbraw/zinc/71/92/11/524719211.db2.gz DEAVGBGBMUWOPX-UHFFFAOYSA-N 0 0 449.923 4.298 50 0 IIAARN COc1ccc(Nc2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000020671351 524722876 /nfs/dbraw/zinc/72/28/76/524722876.db2.gz RCKDYZVYUWIHGK-CQSZACIVSA-N 0 0 435.480 4.167 50 0 IIAARN C[C@@H]1CCc2c(sc3nc(CCC(=O)NCCc4ccc(Cl)cc4)[nH]c(=O)c23)C1 ZINC000021882423 524726460 /nfs/dbraw/zinc/72/64/60/524726460.db2.gz MTVALXKVWZMONB-CYBMUJFWSA-N 0 0 429.973 4.054 50 0 IIAARN C[C@@H]1CN(C(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C[C@H](C)O1 ZINC000012660059 524784841 /nfs/dbraw/zinc/78/48/41/524784841.db2.gz UGGKHBOGQYXTTM-OKILXGFUSA-N 0 0 444.940 4.409 50 0 IIAARN Cc1cc(COC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)on1 ZINC000021726511 524800056 /nfs/dbraw/zinc/80/00/56/524800056.db2.gz ZUVHCRVNFMKJLS-UHFFFAOYSA-N 0 0 434.452 4.104 50 0 IIAARN COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000012566039 524802370 /nfs/dbraw/zinc/80/23/70/524802370.db2.gz IYLVQPKNPLQHSH-LCUIJRPUSA-N 0 0 431.448 4.344 50 0 IIAARN Cc1cccc([C@@H]2CC[C@H](C(=O)NCCc3ccccn3)CN2C(=O)c2ccccc2)c1 ZINC000034671241 524857019 /nfs/dbraw/zinc/85/70/19/524857019.db2.gz XEWCXNLSDBKUDR-ZCYQVOJMSA-N 0 0 427.548 4.342 50 0 IIAARN COc1ccc(OC)c(NC(=O)N[C@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 ZINC000015861255 524860318 /nfs/dbraw/zinc/86/03/18/524860318.db2.gz IHDFVGHUPUDSPN-LJQANCHMSA-N 0 0 434.492 4.408 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCN(c3ccc(-c4nc(-c5ccc(F)cc5)no4)nn3)C2)c1 ZINC000035479234 524895537 /nfs/dbraw/zinc/89/55/37/524895537.db2.gz VOWYFHVUFPEQDA-MRXNPFEDSA-N 0 0 447.470 4.344 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765744 524895694 /nfs/dbraw/zinc/89/56/94/524895694.db2.gz MUKBKSAGCWPYPX-FQEVSTJZSA-N 0 0 447.373 4.262 50 0 IIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCCC(C)C)c1 ZINC000036045603 524898203 /nfs/dbraw/zinc/89/82/03/524898203.db2.gz HFQAPINGACBRDC-GOTSBHOMSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)c4ccccc4[nH]3)cc2)cc1 ZINC000021099349 524936776 /nfs/dbraw/zinc/93/67/76/524936776.db2.gz BFCMNWQKYUCAIY-UHFFFAOYSA-N 0 0 430.460 4.133 50 0 IIAARN C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000012748810 524949282 /nfs/dbraw/zinc/94/92/82/524949282.db2.gz GCNHTXQZNUMFGP-IINYFYTJSA-N 0 0 441.336 4.244 50 0 IIAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000035806637 524958205 /nfs/dbraw/zinc/95/82/05/524958205.db2.gz QOUGGOAMIUEFKV-UHFFFAOYSA-N 0 0 428.448 4.232 50 0 IIAARN COc1ccc(OCc2cc(C(=O)N[C@H](C)Cc3cccc(C)n3)no2)c2ccccc12 ZINC000012320905 524973300 /nfs/dbraw/zinc/97/33/00/524973300.db2.gz WLJMWXAXROQWJI-QGZVFWFLSA-N 0 0 431.492 4.480 50 0 IIAARN COc1ccc(OCc2cc(C(=O)OCC(=O)N(C)Cc3cccs3)c(C)o2)cc1 ZINC000021242758 524975246 /nfs/dbraw/zinc/97/52/46/524975246.db2.gz FMUPUMSQKXHXFE-UHFFFAOYSA-N 0 0 429.494 4.053 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccccc5C)no4)CC3)CC2=O)cc1 ZINC000020945747 524977724 /nfs/dbraw/zinc/97/77/24/524977724.db2.gz XYADDOOYHDSSLE-FQEVSTJZSA-N 0 0 444.535 4.113 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(NC(=O)NC(C)C)cc4)no3)CC2=O)cc1C ZINC000033257164 524985110 /nfs/dbraw/zinc/98/51/10/524985110.db2.gz KDAQURPDKCQXTO-GOSISDBHSA-N 0 0 433.512 4.404 50 0 IIAARN Cc1cccc2sc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)nc21 ZINC000012815638 524999193 /nfs/dbraw/zinc/99/91/93/524999193.db2.gz DGDLUARRIDDLEJ-UHFFFAOYSA-N 0 0 433.530 4.171 50 0 IIAARN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000012279679 525007394 /nfs/dbraw/zinc/00/73/94/525007394.db2.gz OGZLTUCJAATVLL-SFTDATJTSA-N 0 0 428.536 4.257 50 0 IIAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)C[C@H](C)O1 ZINC000012733030 525028080 /nfs/dbraw/zinc/02/80/80/525028080.db2.gz SABNLQSCLSSGNC-GASCZTMLSA-N 0 0 446.573 4.352 50 0 IIAARN C[C@@H]1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)C[C@@H](C)O1 ZINC000022305253 525028486 /nfs/dbraw/zinc/02/84/86/525028486.db2.gz BZUQBRXDLUDROU-HUUCEWRRSA-N 0 0 444.532 4.118 50 0 IIAARN Cc1ccc(NC(=O)CN(C)C(=O)c2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC000012908481 525043544 /nfs/dbraw/zinc/04/35/44/525043544.db2.gz VDQUQBGSYBLUDC-UHFFFAOYSA-N 0 0 429.929 4.395 50 0 IIAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000012380938 525068198 /nfs/dbraw/zinc/06/81/98/525068198.db2.gz AEWPZQFXXKRDFJ-INIZCTEOSA-N 0 0 442.562 4.152 50 0 IIAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)nc(C(C)C)n1 ZINC000021672488 525080910 /nfs/dbraw/zinc/08/09/10/525080910.db2.gz HLGJTEFOAHTSNT-INIZCTEOSA-N 0 0 435.494 4.076 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1C ZINC000012226441 525083674 /nfs/dbraw/zinc/08/36/74/525083674.db2.gz QWEIKSXBSIUYTK-UHFFFAOYSA-N 0 0 442.541 4.434 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)CCc2ccccc2)c2cccs2)cc1 ZINC000015780845 525091830 /nfs/dbraw/zinc/09/18/30/525091830.db2.gz DUDMGYVZPWTZNQ-NRFANRHFSA-N 0 0 429.563 4.021 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1F ZINC000012462343 525099563 /nfs/dbraw/zinc/09/95/63/525099563.db2.gz RKUKAWUJWLSCDC-UHFFFAOYSA-N 0 0 443.478 4.018 50 0 biogenic,in-vitro IIAARN Cc1ccccc1CN1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021862740 525134865 /nfs/dbraw/zinc/13/48/65/525134865.db2.gz ZBMKXHOXYROFOZ-MHZLTWQESA-N 0 0 444.579 4.220 50 0 IIAARN Cc1cc(NC(=O)COC(=O)CCc2ccc3ccccc3n2)ccc1Br ZINC000021431867 525151072 /nfs/dbraw/zinc/15/10/72/525151072.db2.gz NKOMRTKKPWORHI-UHFFFAOYSA-N 0 0 427.298 4.420 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000021800827 525188402 /nfs/dbraw/zinc/18/84/02/525188402.db2.gz AXYQXJPUWUEHRX-UHFFFAOYSA-N 0 0 432.484 4.003 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000012924061 525247279 /nfs/dbraw/zinc/24/72/79/525247279.db2.gz ZDJDDBCDUIRWAT-MBSDFSHPSA-N 0 0 442.581 4.236 50 0 IIAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012782051 525257434 /nfs/dbraw/zinc/25/74/34/525257434.db2.gz OFLKWHWZMKVJBA-HBDGIVRWSA-N 0 0 440.569 4.259 50 0 IIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3N2)cc1OC ZINC000012846086 525258544 /nfs/dbraw/zinc/25/85/44/525258544.db2.gz SBDVEJFMVSHQPB-KSSFIOAISA-N 0 0 447.417 4.208 50 0 IIAARN CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 ZINC000035596794 525259528 /nfs/dbraw/zinc/25/95/28/525259528.db2.gz HSSHQVONFSQYEB-UHFFFAOYSA-N 0 0 425.894 4.335 50 0 IIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3N2)cc1OC ZINC000012846763 525261307 /nfs/dbraw/zinc/26/13/07/525261307.db2.gz ZKGQFIBTJCMIIB-KBXCAEBGSA-N 0 0 438.450 4.187 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000012402532 525265527 /nfs/dbraw/zinc/26/55/27/525265527.db2.gz NMDGAVCPYORKSW-FBLLAGFSSA-N 0 0 432.451 4.276 50 0 IIAARN CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1 ZINC000012748737 525276589 /nfs/dbraw/zinc/27/65/89/525276589.db2.gz CVTAGYIRPQBIKF-UHFFFAOYSA-N 0 0 436.938 4.102 50 0 IIAARN C[C@@H](NC(=O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O)c1ccccc1 ZINC000034810757 525316362 /nfs/dbraw/zinc/31/63/62/525316362.db2.gz CBHJOCVAUPDIAE-OAHLLOKOSA-N 0 0 442.441 4.049 50 0 IIAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(OCCC(C)C)c2)N(CCO)C3=O)c1 ZINC000011914060 525331590 /nfs/dbraw/zinc/33/15/90/525331590.db2.gz SFJZKSNZRKKCNX-XMMPIXPASA-N 0 0 435.524 4.053 50 0 IIAARN Cc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2C)c[nH]1 ZINC000012799665 525356472 /nfs/dbraw/zinc/35/64/72/525356472.db2.gz KGFXFXWMPRLZGC-QZTJIDSGSA-N 0 0 425.554 4.162 50 0 IIAARN COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000015412432 525383508 /nfs/dbraw/zinc/38/35/08/525383508.db2.gz RPMYTXIQZHPATP-VWLOTQADSA-N 0 0 430.504 4.442 50 0 IIAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035961988 525404937 /nfs/dbraw/zinc/40/49/37/525404937.db2.gz XRMYTAGEHQUVRY-XMMPIXPASA-N 0 0 449.551 4.030 50 0 IIAARN Cc1ccc(OCCN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1 ZINC000012579403 525416222 /nfs/dbraw/zinc/41/62/22/525416222.db2.gz JJKMZWMMHQCCCQ-UHFFFAOYSA-N 0 0 432.524 4.115 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000036041739 525422860 /nfs/dbraw/zinc/42/28/60/525422860.db2.gz ODIIWGJLPROJDY-YADHBBJMSA-N 0 0 428.960 4.367 50 0 IIAARN COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000021148646 525438818 /nfs/dbraw/zinc/43/88/18/525438818.db2.gz CCJLHXDVVCPKTN-DEOSSOPVSA-N 0 0 435.524 4.460 50 0 IIAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000012361641 525442381 /nfs/dbraw/zinc/44/23/81/525442381.db2.gz FYOCGNLHKPRSKM-VWLOTQADSA-N 0 0 448.544 4.452 50 0 IIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccco1)Cc1cccs1)C2=O ZINC000012848423 525514135 /nfs/dbraw/zinc/51/41/35/525514135.db2.gz DMLOEPDVROPQOW-QMHKHESXSA-N 0 0 443.569 4.007 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCSc4ccccc43)CC2)cc1C ZINC000012750036 525519155 /nfs/dbraw/zinc/51/91/55/525519155.db2.gz VCTULZKEALPSPP-UHFFFAOYSA-N 0 0 444.622 4.233 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC(=O)CCN4CCOCC4)[C@@]3(C)CC[C@H]21 ZINC000020111498 525536305 /nfs/dbraw/zinc/53/63/05/525536305.db2.gz UXZOQOXHDQJUIB-HIILVWPSSA-N 0 0 427.585 4.185 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-c3ccccc3)CC2)cc1 ZINC000001069535 525547135 /nfs/dbraw/zinc/54/71/35/525547135.db2.gz GCYJEGOVVSVXJO-UHFFFAOYSA-N 0 0 444.560 4.116 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000035399532 525551302 /nfs/dbraw/zinc/55/13/02/525551302.db2.gz JTAZGRDSYFRDCP-UHFFFAOYSA-N 0 0 437.927 4.462 50 0 biogenic IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871720 525551867 /nfs/dbraw/zinc/55/18/67/525551867.db2.gz CRPKHLVTXQHBEY-QOAWAWRESA-N 0 0 441.575 4.440 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](C)c1ccccc1 ZINC000032987989 525592073 /nfs/dbraw/zinc/59/20/73/525592073.db2.gz GZKQNCQFFTZSMZ-KXBFYZLASA-N 0 0 449.414 4.221 50 0 IIAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccco2)[C@@H](c2ccc(Cl)cc2)CN1C ZINC000035485658 525594071 /nfs/dbraw/zinc/59/40/71/525594071.db2.gz RRKPADJAYXCCCA-NYQDVAGCSA-N 0 0 436.895 4.317 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000008944103 534867657 /nfs/dbraw/zinc/86/76/57/534867657.db2.gz FDXRDBRCGDBHTM-UHFFFAOYSA-N 0 0 434.517 4.283 50 0 IIAARN Cc1cc2c(cc1F)n(CC(=O)Nc1cccc(C)c1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535380 525604885 /nfs/dbraw/zinc/60/48/85/525604885.db2.gz LEIZSSQUYGWOBX-UHFFFAOYSA-N 0 0 443.478 4.331 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(CCOc2ccccc2)C1=O ZINC000035909165 525612584 /nfs/dbraw/zinc/61/25/84/525612584.db2.gz ALXWNUBHGCKGNK-KRWDZBQOSA-N 0 0 434.467 4.267 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012419105 525634599 /nfs/dbraw/zinc/63/45/99/525634599.db2.gz WPGCCNVZTOFTKH-ROUUACIJSA-N 0 0 426.538 4.405 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000020444297 525635592 /nfs/dbraw/zinc/63/55/92/525635592.db2.gz JXUFKJZGYFJDMS-UHFFFAOYSA-N 0 0 428.901 4.349 50 0 IIAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1C(N)=O ZINC000000669301 525667918 /nfs/dbraw/zinc/66/79/18/525667918.db2.gz RHKZYIZRHUGGRC-GFCCVEGCSA-N 0 0 438.933 4.088 50 0 IIAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccc(C)cc3C)cc(=O)n2o1 ZINC000035378670 525672527 /nfs/dbraw/zinc/67/25/27/525672527.db2.gz FROVQJKSJABPLN-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4ccccc4F)cc3)cc(=O)n2o1 ZINC000035429532 525675502 /nfs/dbraw/zinc/67/55/02/525675502.db2.gz HOOSEPKBONTGJU-UHFFFAOYSA-N 0 0 439.468 4.045 50 0 IIAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3cccc(C)c3)c(=O)c12 ZINC000020947423 525676524 /nfs/dbraw/zinc/67/65/24/525676524.db2.gz JXMBMXARDHZSIU-UHFFFAOYSA-N 0 0 434.927 4.082 50 0 IIAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@@H](C)Cc4ccco4)cc3)cc2c1 ZINC000012901354 525683736 /nfs/dbraw/zinc/68/37/36/525683736.db2.gz IDJWPQQORQINIP-INIZCTEOSA-N 0 0 433.460 4.188 50 0 biogenic IIAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)no2)cc1 ZINC000021807589 525725441 /nfs/dbraw/zinc/72/54/41/525725441.db2.gz XXXFATOARWIROS-OAQYLSRUSA-N 0 0 425.916 4.107 50 0 IIAARN C[C@@H](Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21)c1ccccc1 ZINC000041153801 525726438 /nfs/dbraw/zinc/72/64/38/525726438.db2.gz VVBFLLONUUAULW-GOSISDBHSA-N 0 0 427.508 4.358 50 0 IIAARN COc1cccc(-n2cc(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3c2=O)c1 ZINC000020904525 525750663 /nfs/dbraw/zinc/75/06/63/525750663.db2.gz YTFNITYVRLLEAY-UHFFFAOYSA-N 0 0 437.499 4.453 50 0 IIAARN COc1cccc(-n2cc(C(=O)Nc3cc(OC)ccc3OC)c3ccccc3c2=O)c1 ZINC000020509038 525751154 /nfs/dbraw/zinc/75/11/54/525751154.db2.gz AEGBPPRULIVTHH-UHFFFAOYSA-N 0 0 430.460 4.269 50 0 IIAARN Cc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721494 525757636 /nfs/dbraw/zinc/75/76/36/525757636.db2.gz SUNSMUCBUOZLNV-AREMUKBSSA-N 0 0 439.559 4.431 50 0 IIAARN COc1cccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1OC(F)F ZINC000012895177 525762608 /nfs/dbraw/zinc/76/26/08/525762608.db2.gz FGYYLKARVSFRNM-VAWYXSNFSA-N 0 0 442.418 4.472 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCC3)ccc21 ZINC000021714189 525772547 /nfs/dbraw/zinc/77/25/47/525772547.db2.gz IRCCJCREJPVVNK-UHFFFAOYSA-N 0 0 425.920 4.056 50 0 IIAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc5c(c4)OCO5)c(=O)c23)cc1 ZINC000012788768 525787976 /nfs/dbraw/zinc/78/79/76/525787976.db2.gz VLQUSAVUPONBKT-UHFFFAOYSA-N 0 0 433.489 4.191 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000021863200 525791454 /nfs/dbraw/zinc/79/14/54/525791454.db2.gz IBRXSUOXEADOJU-VWLOTQADSA-N 0 0 432.524 4.007 50 0 IIAARN COc1cccc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1OC ZINC000035597608 525792524 /nfs/dbraw/zinc/79/25/24/525792524.db2.gz BQTNAZOYFVGZPU-UHFFFAOYSA-N 0 0 436.537 4.474 50 0 IIAARN COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(cccc3SC)s2)c1 ZINC000021021230 525793101 /nfs/dbraw/zinc/79/31/01/525793101.db2.gz LDJZRAFINHQPCM-UHFFFAOYSA-N 0 0 443.594 4.006 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000035537003 525803713 /nfs/dbraw/zinc/80/37/13/525803713.db2.gz GJUYAURIVYMRJD-OAQYLSRUSA-N 0 0 430.346 4.400 50 0 IIAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC1CC1)C(=O)C(C)C ZINC000035131616 525841465 /nfs/dbraw/zinc/84/14/65/525841465.db2.gz UNYFIMFEBMKMIB-UHFFFAOYSA-N 0 0 442.581 4.209 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962154 525856633 /nfs/dbraw/zinc/85/66/33/525856633.db2.gz XIOGNMWQSOGKGV-NRFANRHFSA-N 0 0 427.932 4.141 50 0 IIAARN Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cnn(Cc5ccccc5F)c4)C(=S)N32)cc1 ZINC000020607406 525863385 /nfs/dbraw/zinc/86/33/85/525863385.db2.gz PVTUKFQWJXJMLM-CTNGQTDRSA-N 0 0 438.553 4.127 50 0 IIAARN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)n2)cc1 ZINC000021940222 525886728 /nfs/dbraw/zinc/88/67/28/525886728.db2.gz JDGJCZRCHHEULI-NRFANRHFSA-N 0 0 437.565 4.492 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)CCC4)nnc2N2CCCC2)cc1 ZINC000013126646 525898965 /nfs/dbraw/zinc/89/89/65/525898965.db2.gz HMEUMJXLIQFXCA-UHFFFAOYSA-N 0 0 433.581 4.395 50 0 IIAARN Cc1ccc(-n2c(SCCC(=O)NC(=O)NC3CCCC3)nnc2-c2ccccc2)cc1 ZINC000012756506 525901222 /nfs/dbraw/zinc/90/12/22/525901222.db2.gz NQUDICRCXMSDLA-UHFFFAOYSA-N 0 0 449.580 4.493 50 0 IIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605573 525929101 /nfs/dbraw/zinc/92/91/01/525929101.db2.gz NLFJTHHFEADASB-QGZVFWFLSA-N 0 0 425.529 4.061 50 0 IIAARN COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863880 525929727 /nfs/dbraw/zinc/92/97/27/525929727.db2.gz PGTKHTBKBGWNBB-AREMUKBSSA-N 0 0 447.535 4.230 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3ccccc3)CC2)c(C)c1 ZINC000036025925 525934687 /nfs/dbraw/zinc/93/46/87/525934687.db2.gz QPIPQQLQHTVATG-UHFFFAOYSA-N 0 0 440.551 4.093 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@H](C(=O)N3CCCCCC3)C1)nnc2C ZINC000020564677 525937643 /nfs/dbraw/zinc/93/76/43/525937643.db2.gz KLTZATLZWWXCRA-FQEVSTJZSA-N 0 0 432.572 4.051 50 0 IIAARN C[C@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)N(C)c1ccccc1 ZINC000014340280 525938277 /nfs/dbraw/zinc/93/82/77/525938277.db2.gz CNAXDOLXQDZUPA-INIZCTEOSA-N 0 0 430.551 4.004 50 0 IIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2oc1C(=O)N1CCCCC1 ZINC000035454941 525940040 /nfs/dbraw/zinc/94/00/40/525940040.db2.gz JTMZFIYLOIASGI-UHFFFAOYSA-N 0 0 432.586 4.405 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3O[C@@H](C)C2=O)c1 ZINC000035909265 525959843 /nfs/dbraw/zinc/95/98/43/525959843.db2.gz PXHFMJUHKFAMIL-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4)ccc3O[C@H](C)C2=O)c1OC ZINC000035909721 525960349 /nfs/dbraw/zinc/96/03/49/525960349.db2.gz OTXFCWVZLLJVOJ-QGZVFWFLSA-N 0 0 446.503 4.266 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1 ZINC000012762175 525967323 /nfs/dbraw/zinc/96/73/23/525967323.db2.gz IENLALZNNXOJPR-IBGZPJMESA-N 0 0 447.535 4.299 50 0 IIAARN C[C@H](SCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2ccccc2[nH]1 ZINC000012540643 525973536 /nfs/dbraw/zinc/97/35/36/525973536.db2.gz AUXKWQOHYKYBMZ-AWEZNQCLSA-N 0 0 449.502 4.120 50 0 IIAARN C[C@@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000022189219 526001599 /nfs/dbraw/zinc/00/15/99/526001599.db2.gz BGNAVTZOHXGEBA-GFCCVEGCSA-N 0 0 431.477 4.179 50 0 IIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012776545 526009179 /nfs/dbraw/zinc/00/91/79/526009179.db2.gz USZYWNUQKUWSQQ-DLBZAZTESA-N 0 0 445.548 4.440 50 0 IIAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O ZINC000035909703 526056782 /nfs/dbraw/zinc/05/67/82/526056782.db2.gz IXRTYMZJTDUGJS-KRWDZBQOSA-N 0 0 434.467 4.325 50 0 IIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670604 526065612 /nfs/dbraw/zinc/06/56/12/526065612.db2.gz VAWRLTAHKZJXJM-SFHVURJKSA-N 0 0 446.511 4.368 50 0 IIAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)N(C)Cc4ccc(Cl)cc4)n3)cc2c1 ZINC000035373536 526095343 /nfs/dbraw/zinc/09/53/43/526095343.db2.gz AAAKBFODUXGPJU-UHFFFAOYSA-N 0 0 436.899 4.131 50 0 IIAARN CSc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCCC(C)C)c1 ZINC000021862862 526108352 /nfs/dbraw/zinc/10/83/52/526108352.db2.gz XDCVZHBSWUMOMI-DEOSSOPVSA-N 0 0 442.629 4.484 50 0 IIAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(Br)cc4)CC3=O)c2c1 ZINC000012862952 526112556 /nfs/dbraw/zinc/11/25/56/526112556.db2.gz HBOWOGAPHKCLSN-MRXNPFEDSA-N 0 0 440.341 4.269 50 0 IIAARN COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)s1 ZINC000020713721 526113974 /nfs/dbraw/zinc/11/39/74/526113974.db2.gz FNYXHKITKKJNHM-UHFFFAOYSA-N 0 0 441.528 4.351 50 0 IIAARN Cc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4ccc(F)cc4)C3=O)coc2c1 ZINC000012683480 526120350 /nfs/dbraw/zinc/12/03/50/526120350.db2.gz RQNMXQKBQGQJJC-JAIQZWGSSA-N 0 0 438.480 4.276 50 0 IIAARN COc1cccc(N(C(C)=O)c2nc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cs2)c1 ZINC000012794971 526127688 /nfs/dbraw/zinc/12/76/88/526127688.db2.gz RRHHGTKPFRTWFJ-JAIQZWGSSA-N 0 0 433.489 4.489 50 0 IIAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(C)C)C2=O)c1 ZINC000020559337 526139836 /nfs/dbraw/zinc/13/98/36/526139836.db2.gz VGJKMWJWEFKYAY-IBGZPJMESA-N 0 0 429.904 4.171 50 0 IIAARN Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)COc1ccc2ccccc2c1 ZINC000024829887 526142406 /nfs/dbraw/zinc/14/24/06/526142406.db2.gz YIPFNVSDSVDCOS-QFIPXVFZSA-N 0 0 425.488 4.065 50 0 IIAARN CSc1ccccc1NC(=O)CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012817246 526167160 /nfs/dbraw/zinc/16/71/60/526167160.db2.gz BBWCLVLBODETAF-UHFFFAOYSA-N 0 0 440.550 4.037 50 0 IIAARN COc1cccc(NC(=O)CN(CC(=O)Nc2cccc(OC)c2)c2ccc(C)c(C)c2)c1 ZINC000012755569 526174418 /nfs/dbraw/zinc/17/44/18/526174418.db2.gz ZXBSRVSEBAOHSY-UHFFFAOYSA-N 0 0 447.535 4.404 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000023918836 526182930 /nfs/dbraw/zinc/18/29/30/526182930.db2.gz UQBPRCSUMNCHQR-MRXNPFEDSA-N 0 0 425.529 4.304 50 0 IIAARN COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000012344791 526190451 /nfs/dbraw/zinc/19/04/51/526190451.db2.gz JHJOQAZTGVMBIX-JOCHJYFZSA-N 0 0 437.496 4.160 50 0 IIAARN Cc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000012247762 526190845 /nfs/dbraw/zinc/19/08/45/526190845.db2.gz NQLBKSIFXLAPPP-UHFFFAOYSA-N 0 0 433.512 4.332 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)ccc1Cl ZINC000035924455 526215394 /nfs/dbraw/zinc/21/53/94/526215394.db2.gz UCLGNLIJYCZUOA-UHFFFAOYSA-N 0 0 433.942 4.492 50 0 IIAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccccc1Br)n2C ZINC000021529959 526216804 /nfs/dbraw/zinc/21/68/04/526216804.db2.gz OCHRQSGVLQPSFH-UHFFFAOYSA-N 0 0 440.341 4.306 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc(Sc2c(C)c(C)nc3ncnn32)cc1 ZINC000033121854 526218473 /nfs/dbraw/zinc/21/84/73/526218473.db2.gz BTUVBLHLTMLBRK-UHFFFAOYSA-N 0 0 435.509 4.162 50 0 IIAARN CSc1ncc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)n1-c1ccc(F)cc1 ZINC000012520687 526220420 /nfs/dbraw/zinc/22/04/20/526220420.db2.gz YIOLGWPUEXZKEY-UHFFFAOYSA-N 0 0 446.935 4.476 50 0 IIAARN CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000011613044 534913907 /nfs/dbraw/zinc/91/39/07/534913907.db2.gz KCFNYEQJMLMXMP-UHFFFAOYSA-N 0 0 433.474 4.165 50 0 IIAARN 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IIAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399238 527278732 /nfs/dbraw/zinc/27/87/32/527278732.db2.gz VNDVGPWUAUHJQE-UHFFFAOYSA-N 0 0 433.577 4.462 50 0 biogenic IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(F)ccc1Br ZINC000012798692 527300727 /nfs/dbraw/zinc/30/07/27/527300727.db2.gz JODBPJGBNYBZGZ-UHFFFAOYSA-N 0 0 436.306 4.287 50 0 IIAARN O=C(Nc1cccc(Br)c1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767748 527325016 /nfs/dbraw/zinc/32/50/16/527325016.db2.gz DFZDYJKSYIVYHM-UHFFFAOYSA-N 0 0 426.295 4.438 50 0 IIAARN O=C(Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1)NCc1ccccc1Cl ZINC000033300971 527363235 /nfs/dbraw/zinc/36/32/35/527363235.db2.gz AWKLAKVYEOULKP-UHFFFAOYSA-N 0 0 445.350 4.010 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCC1 ZINC000017200853 527370052 /nfs/dbraw/zinc/37/00/52/527370052.db2.gz HQNVJGXEUZUMMN-UHFFFAOYSA-N 0 0 434.920 4.030 50 0 IIAARN O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000035483541 527423576 /nfs/dbraw/zinc/42/35/76/527423576.db2.gz MWKOVSJYAZZILI-UHFFFAOYSA-N 0 0 435.274 4.068 50 0 IIAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000012854238 527427173 /nfs/dbraw/zinc/42/71/73/527427173.db2.gz PBZAMCAPYDENCJ-UHFFFAOYSA-N 0 0 444.438 4.101 50 0 IIAARN O=c1[nH]c(CN2CCc3ccccc3C2)nc2c(Br)cc(Br)cc12 ZINC000021821812 527437753 /nfs/dbraw/zinc/43/77/53/527437753.db2.gz LJHVTBOFIIQLDP-UHFFFAOYSA-N 0 0 449.146 4.006 50 0 IIAARN O=c1c2c(ncn1C[C@@H](O)COC(c1ccccc1)c1ccccc1)sc1c2CCC1 ZINC000012866044 527457568 /nfs/dbraw/zinc/45/75/68/527457568.db2.gz FEJDMTUJFAVJKD-LJQANCHMSA-N 0 0 432.545 4.114 50 0 IIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012796142 527498034 /nfs/dbraw/zinc/49/80/34/527498034.db2.gz LTCUBTBDNIEQDP-MRXNPFEDSA-N 0 0 427.476 4.118 50 0 IIAARN O=C(NC1CCCCCC1)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000035458963 527520230 /nfs/dbraw/zinc/52/02/30/527520230.db2.gz DBQFCASZKBLVFH-DEOSSOPVSA-N 0 0 445.563 4.291 50 0 IIAARN Cn1nc(-c2ccc(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3)s2)cc1C(F)(F)F ZINC000012367033 527536722 /nfs/dbraw/zinc/53/67/22/527536722.db2.gz KYSYXZWOZRQXLG-MHZLTWQESA-N 0 0 449.501 4.013 50 0 IIAARN Cn1nc(C(=O)NCCOC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2c1-c1ccccc1OC2 ZINC000020484923 527545215 /nfs/dbraw/zinc/54/52/15/527545215.db2.gz MVWAGCSYJWTXLS-AFKVYGCLSA-N 0 0 435.568 4.475 50 0 IIAARN Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@H]2c1ccccc1 ZINC000035597850 527556044 /nfs/dbraw/zinc/55/60/44/527556044.db2.gz GSFAKQBEFGBGLF-KRWDZBQOSA-N 0 0 438.915 4.344 50 0 IIAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907795 527596544 /nfs/dbraw/zinc/59/65/44/527596544.db2.gz FNNVUONEJXKGGR-AVRDEDQJSA-N 0 0 447.476 4.238 50 0 IIAARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc3c(cccc3C)s2)c2c(C)nn(C)c2n1 ZINC000020606314 527601002 /nfs/dbraw/zinc/60/10/02/527601002.db2.gz BNOWJRWCBNPKSB-UHFFFAOYSA-N 0 0 445.552 4.464 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 ZINC000021362198 527636229 /nfs/dbraw/zinc/63/62/29/527636229.db2.gz MLTZNCASGNSUEY-UHFFFAOYSA-N 0 0 429.524 4.317 50 0 IIAARN OCc1nn2c(c1Br)N[C@@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F ZINC000012850345 527642073 /nfs/dbraw/zinc/64/20/73/527642073.db2.gz LTBUQXWJMCKDTI-SVGQVSJJSA-N 0 0 445.033 4.154 50 0 IIAARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000035590000 527656902 /nfs/dbraw/zinc/65/69/02/527656902.db2.gz NLBJBWPXDQDTPB-ALCCZGGFSA-N 0 0 427.913 4.040 50 0 IIAARN CC(=O)c1sc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)nc1C ZINC000009245058 534958380 /nfs/dbraw/zinc/95/83/80/534958380.db2.gz KDMIVJXMGJGOON-UHFFFAOYSA-N 0 0 429.571 4.131 50 0 IIAARN CCc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)sc2c1 ZINC000003031631 535831292 /nfs/dbraw/zinc/83/12/92/535831292.db2.gz SJJDAFSAVBTFPV-UHFFFAOYSA-N 0 0 434.609 4.424 50 0 IIAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1 ZINC000009969335 535831711 /nfs/dbraw/zinc/83/17/11/535831711.db2.gz SJLCASDAAIPRSC-UHFFFAOYSA-N 0 0 429.973 4.035 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)c2cc(C)ccc2O1 ZINC000009406092 536117389 /nfs/dbraw/zinc/11/73/89/536117389.db2.gz JTBBEKDXTLLCNV-FQEVSTJZSA-N 0 0 439.531 4.260 50 0 IIAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)NCc4ccccc4)CC2)n1)CCCC3 ZINC000001378888 536165513 /nfs/dbraw/zinc/16/55/13/536165513.db2.gz HDUNSEFJRXVMKD-UHFFFAOYSA-N 0 0 435.597 4.164 50 0 IIAARN CCc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(OC)cc3Cl)CC2)cc1 ZINC000002855421 536184742 /nfs/dbraw/zinc/18/47/42/536184742.db2.gz DLLZEEQRYHEGIJ-UHFFFAOYSA-N 0 0 429.369 4.075 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)n2)cc1F ZINC000009803204 536498957 /nfs/dbraw/zinc/49/89/57/536498957.db2.gz PIBBFESAQKYSMN-CYBMUJFWSA-N 0 0 441.484 4.101 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1 ZINC000002437732 536937375 /nfs/dbraw/zinc/93/73/75/536937375.db2.gz CZFKPWXCBHDEBY-HXUWFJFHSA-N 0 0 428.536 4.033 50 0 aggregator IIAARN COc1ccccc1N1CCN(C(=O)COc2ccc(C(C)C)cc2Br)CC1 ZINC000002837709 537064936 /nfs/dbraw/zinc/06/49/36/537064936.db2.gz IUEUGNPIDHZEJA-UHFFFAOYSA-N 0 0 447.373 4.309 50 0 IIAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000008758895 537072002 /nfs/dbraw/zinc/07/20/02/537072002.db2.gz XTNCHFLFYRACLA-VIOKTNGOSA-N 0 0 440.547 4.270 50 0 IIAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000643301 555519344 /nfs/dbraw/zinc/51/93/44/555519344.db2.gz MMXSADFREHBHKM-DEOSSOPVSA-N 0 0 436.577 4.433 50 0 IIAARN CCOc1ccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c2)cc1 ZINC000000652709 555523536 /nfs/dbraw/zinc/52/35/36/555523536.db2.gz QHYYQTGNPDPITI-OAQYLSRUSA-N 0 0 440.393 4.085 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000000661083 555526787 /nfs/dbraw/zinc/52/67/87/555526787.db2.gz AHFVECLTJUYTHG-QGZVFWFLSA-N 0 0 437.569 4.137 50 0 IIAARN Cc1ccccc1CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000661479 555527076 /nfs/dbraw/zinc/52/70/76/555527076.db2.gz JSQOYCARRBPPPX-UHFFFAOYSA-N 0 0 442.968 4.156 50 0 IIAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O ZINC000000665691 555528288 /nfs/dbraw/zinc/52/82/88/555528288.db2.gz QWOUSSMYUMKTNH-UHFFFAOYSA-N 0 0 430.476 4.492 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000000671003 555531043 /nfs/dbraw/zinc/53/10/43/555531043.db2.gz OEHKMAUZOJDTIU-UHFFFAOYSA-N 0 0 438.549 4.278 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000673795 555532599 /nfs/dbraw/zinc/53/25/99/555532599.db2.gz TUMNOHSDDNOFCF-RTBURBONSA-N 0 0 430.430 4.482 50 0 IIAARN Cc1c(CN(C)C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cnn1C ZINC000000674180 555533175 /nfs/dbraw/zinc/53/31/75/555533175.db2.gz IQUZNGKRSRVXBY-PKOBYXMFSA-N 0 0 446.477 4.166 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc32)cc1Br ZINC000000678863 555536304 /nfs/dbraw/zinc/53/63/04/555536304.db2.gz ZECAIOGPYBKDEP-UHFFFAOYSA-N 0 0 431.311 4.443 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000000692632 555542335 /nfs/dbraw/zinc/54/23/35/555542335.db2.gz HKECLJHGUAQGEO-UHFFFAOYSA-N 0 0 425.366 4.149 50 0 IIAARN CCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)cc(C(=O)OCC)c1 ZINC000000710237 555547070 /nfs/dbraw/zinc/54/70/70/555547070.db2.gz PCZLXFQYPGBBDI-UHFFFAOYSA-N 0 0 444.534 4.381 50 0 IIAARN Cc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@@]2(O)c2ccc(Br)cc2)c1 ZINC000000714639 555548315 /nfs/dbraw/zinc/54/83/15/555548315.db2.gz UQGRWWZLUYMJLG-QGZVFWFLSA-N 0 0 427.220 4.367 50 0 IIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000723474 555550831 /nfs/dbraw/zinc/55/08/31/555550831.db2.gz GSDUZVVKIQFVTB-INIZCTEOSA-N 0 0 433.744 4.439 50 0 IIAARN COc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1Cl ZINC000000724578 555551077 /nfs/dbraw/zinc/55/10/77/555551077.db2.gz UYSXMIVDJHPBMK-UHFFFAOYSA-N 0 0 446.697 4.080 50 0 IIAARN Cc1nc2ccc(I)cc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000000777925 555554510 /nfs/dbraw/zinc/55/45/10/555554510.db2.gz MZPVIVUTUMSQFY-UHFFFAOYSA-N 0 0 430.167 4.318 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1OC ZINC000000793547 555557729 /nfs/dbraw/zinc/55/77/29/555557729.db2.gz IZNMCXQVWGXJJF-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000000797688 555558335 /nfs/dbraw/zinc/55/83/35/555558335.db2.gz OBZYHSYCBUQKMN-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN COc1ccc(O[C@H]2C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000816113 555562439 /nfs/dbraw/zinc/56/24/39/555562439.db2.gz RHXYUJQZKIAQJZ-BJKOFHAPSA-N 0 0 437.467 4.383 50 0 IIAARN CCOC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 ZINC000000818798 555563142 /nfs/dbraw/zinc/56/31/42/555563142.db2.gz CQSFSFNXDOFOQI-LBPRGKRZSA-N 0 0 433.327 4.192 50 0 IIAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)sc2c1CCCC2 ZINC000000827369 555565454 /nfs/dbraw/zinc/56/54/54/555565454.db2.gz IWGJQSXGYUBFBG-JLHYYAGUSA-N 0 0 444.578 4.339 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000000873210 555575784 /nfs/dbraw/zinc/57/57/84/555575784.db2.gz VWQDTYXSMGCFGF-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000000879226 555576757 /nfs/dbraw/zinc/57/67/57/555576757.db2.gz QKTPOQUKLNLBFG-UHFFFAOYSA-N 0 0 444.940 4.324 50 0 IIAARN CCN(CC)C(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C(=O)OC(C)C)c1C ZINC000000879563 555576764 /nfs/dbraw/zinc/57/67/64/555576764.db2.gz KUQRBOKEPJJPSS-UHFFFAOYSA-N 0 0 432.542 4.365 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1OC ZINC000000881517 555577467 /nfs/dbraw/zinc/57/74/67/555577467.db2.gz YWALSKTYLAJYBM-UHFFFAOYSA-N 0 0 434.477 4.034 50 0 IIAARN COc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1OC ZINC000000918257 555584065 /nfs/dbraw/zinc/58/40/65/555584065.db2.gz YHXQNHOVSIBLNN-UHFFFAOYSA-N 0 0 432.358 4.278 50 0 IIAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000972997 555591837 /nfs/dbraw/zinc/59/18/37/555591837.db2.gz SVWSAUGAMQDCIO-HNNXBMFYSA-N 0 0 432.760 4.108 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)Cc2ccccc2)cc1 ZINC000000978901 555592785 /nfs/dbraw/zinc/59/27/85/555592785.db2.gz CUFDLDVESRKPAS-UHFFFAOYSA-N 0 0 442.968 4.156 50 0 IIAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000000977659 555592807 /nfs/dbraw/zinc/59/28/07/555592807.db2.gz OCMCSUDEIXIBCX-UHFFFAOYSA-N 0 0 434.477 4.034 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC(C)C)c(Br)c2)C1=O ZINC000000980934 555593233 /nfs/dbraw/zinc/59/32/33/555593233.db2.gz YULMOMGSDUEVLJ-PDICVPPASA-N 0 0 442.331 4.224 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000000995896 555598371 /nfs/dbraw/zinc/59/83/71/555598371.db2.gz FMDKYQYDEWKRAG-UHFFFAOYSA-N 0 0 431.521 4.459 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OC ZINC000001008320 555601444 /nfs/dbraw/zinc/60/14/44/555601444.db2.gz FTKQGEUNSFHYLM-YVLHZVERSA-N 0 0 446.912 4.341 50 0 IIAARN Cc1cc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c(Cl)cc1Cl ZINC000001037000 555608544 /nfs/dbraw/zinc/60/85/44/555608544.db2.gz LNSXGVBUXSVXTQ-UHFFFAOYSA-N 0 0 433.401 4.151 50 0 IIAARN Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc2nonc2c1 ZINC000001040127 555609668 /nfs/dbraw/zinc/60/96/68/555609668.db2.gz CJAFNPYHZMFVIS-UHFFFAOYSA-N 0 0 435.296 4.056 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000001049112 555612430 /nfs/dbraw/zinc/61/24/30/555612430.db2.gz XFIZTSGCQGQZBR-OAHLLOKOSA-N 0 0 426.929 4.082 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000001052959 555613948 /nfs/dbraw/zinc/61/39/48/555613948.db2.gz WNTDXSPXONUVMD-HZPDHXFCSA-N 0 0 430.501 4.236 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccnc1 ZINC000001067695 555619384 /nfs/dbraw/zinc/61/93/84/555619384.db2.gz PWCYMQRHIRZXKJ-QFIPXVFZSA-N 0 0 427.287 4.396 50 0 IIAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1 ZINC000001072480 555621857 /nfs/dbraw/zinc/62/18/57/555621857.db2.gz QQCNMHKCUCTETF-HNNXBMFYSA-N 0 0 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555933272 /nfs/dbraw/zinc/93/32/72/555933272.db2.gz OGMSHIBRONTDEO-UHFFFAOYSA-N 0 0 449.345 4.301 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nc3nc(C)c(Cc4cccc(C)c4)c(C)n3n2)cc1 ZINC000003631740 555942084 /nfs/dbraw/zinc/94/20/84/555942084.db2.gz OCIJKXLKXISFEA-UHFFFAOYSA-N 0 0 445.592 4.357 50 0 IIAARN CC[C@H](C)NC(=O)CSc1nc2nc(C)c(Cc3c(F)cccc3Cl)c(C)n2n1 ZINC000003638285 555942773 /nfs/dbraw/zinc/94/27/73/555942773.db2.gz OFGPMEJBLOHNMH-NSHDSACASA-N 0 0 435.956 4.131 50 0 IIAARN O=C(CCCCC(=O)NCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 ZINC000004014543 555952871 /nfs/dbraw/zinc/95/28/71/555952871.db2.gz PNKBERLLQOTNRD-UHFFFAOYSA-N 0 0 430.552 4.227 50 0 IIAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000004123026 555965771 /nfs/dbraw/zinc/96/57/71/555965771.db2.gz NAJMGCAOHKCDAR-JOCHJYFZSA-N 0 0 439.309 4.067 50 0 IIAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000004858227 556016337 /nfs/dbraw/zinc/01/63/37/556016337.db2.gz QCYVVAOMXVJINR-UHFFFAOYSA-N 0 0 426.582 4.247 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556103626 /nfs/dbraw/zinc/10/36/26/556103626.db2.gz ZXBNYDCVGWLUTN-UHFFFAOYSA-N 0 0 427.570 4.185 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000002711815 556125406 /nfs/dbraw/zinc/12/54/06/556125406.db2.gz VNMCAJSKCMPREB-UHFFFAOYSA-N 0 0 445.791 4.396 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c(C)c1 ZINC000002719944 556126221 /nfs/dbraw/zinc/12/62/21/556126221.db2.gz CROZYSYEUKJQJL-UHFFFAOYSA-N 0 0 441.553 4.367 50 0 IIAARN O=C(Nc1nc2c(cccc2F)s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002723799 556129134 /nfs/dbraw/zinc/12/91/34/556129134.db2.gz ZCWCPHWKKVNMDG-UHFFFAOYSA-N 0 0 433.530 4.252 50 0 IIAARN COCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000002713535 556129495 /nfs/dbraw/zinc/12/94/95/556129495.db2.gz ACQMJUPYZDCQIJ-UHFFFAOYSA-N 0 0 443.912 4.173 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1N1C(=S)N=NC1c1cc(C(F)(F)F)nn1C ZINC000002730746 556134246 /nfs/dbraw/zinc/13/42/46/556134246.db2.gz YJCQKOZVNOFMEJ-UHFFFAOYSA-N 0 0 447.490 4.145 50 0 IIAARN S=C1N=NC(c2ccc(COc3ccc(Br)cc3)o2)N1C[C@@H]1CCCO1 ZINC000002790258 556139330 /nfs/dbraw/zinc/13/93/30/556139330.db2.gz YHKPFDVINHRGSN-AWEZNQCLSA-N 0 0 436.331 4.347 50 0 IIAARN CCn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C(=O)Nc2ccccc2)n1 ZINC000002800013 556142154 /nfs/dbraw/zinc/14/21/54/556142154.db2.gz MUXCUIOJUMJNEW-UHFFFAOYSA-N 0 0 446.429 4.487 50 0 IIAARN Cc1ccc(OCn2ccc(C(=O)Nc3ccc(I)cc3)n2)c(C)c1 ZINC000002796278 556145498 /nfs/dbraw/zinc/14/54/98/556145498.db2.gz DNSNLYYZZNGDGP-UHFFFAOYSA-N 0 0 447.276 4.393 50 0 IIAARN Cc1cnn([C@H](C)C2N=NC(=S)N2c2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000002808563 556146728 /nfs/dbraw/zinc/14/67/28/556146728.db2.gz RTXDOORFYWZYPI-GFCCVEGCSA-N 0 0 434.356 4.222 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C3N=NC(=S)N3c3cnn(Cc4ccc(C)cc4)c3)o2)n1 ZINC000002808318 556146732 /nfs/dbraw/zinc/14/67/32/556146732.db2.gz OZFVHAHJQWYRGT-UHFFFAOYSA-N 0 0 445.552 4.231 50 0 IIAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000002970694 556151837 /nfs/dbraw/zinc/15/18/37/556151837.db2.gz HENFTDNQQBGEBK-UHFFFAOYSA-N 0 0 427.957 4.355 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1cccc(F)c1 ZINC000002976620 556153572 /nfs/dbraw/zinc/15/35/72/556153572.db2.gz BFAURAVIFGKOCW-QFIPXVFZSA-N 0 0 439.512 4.389 50 0 IIAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)cc1 ZINC000003022842 556157286 /nfs/dbraw/zinc/15/72/86/556157286.db2.gz OWWQIPJGJSIHHY-UHFFFAOYSA-N 0 0 446.475 4.094 50 0 IIAARN Cc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1Cl ZINC000003015476 556158262 /nfs/dbraw/zinc/15/82/62/556158262.db2.gz FRNNXNGLPRDDHP-UHFFFAOYSA-N 0 0 437.927 4.437 50 0 IIAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000008384425 556160227 /nfs/dbraw/zinc/16/02/27/556160227.db2.gz MLGMKJYNGABLFK-UHFFFAOYSA-N 0 0 444.892 4.456 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCSc1ccccc1)OCc1ccccc1 ZINC000008439746 556175897 /nfs/dbraw/zinc/17/58/97/556175897.db2.gz ABCMQTGVZXQMGX-HSZRJFAPSA-N 0 0 434.561 4.433 50 0 IIAARN C[C@@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000008498026 556186818 /nfs/dbraw/zinc/18/68/18/556186818.db2.gz CLWBWRGBGCAKRW-VKHQOIBJSA-N 0 0 429.903 4.272 50 0 IIAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000008591953 556189305 /nfs/dbraw/zinc/18/93/05/556189305.db2.gz HFTGHDKFMXOHBI-QFIPXVFZSA-N 0 0 447.491 4.217 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1 ZINC000008694511 556200726 /nfs/dbraw/zinc/20/07/26/556200726.db2.gz KRIZUEADXZJAAG-FGZHOGPDSA-N 0 0 441.560 4.329 50 0 IIAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(I)cc1 ZINC000008721751 556203046 /nfs/dbraw/zinc/20/30/46/556203046.db2.gz XELCTDXNPJHJAK-UHFFFAOYSA-N 0 0 425.310 4.006 50 0 IIAARN CC(C)COC[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740375 556206282 /nfs/dbraw/zinc/20/62/82/556206282.db2.gz SBIIPIYVHGZREK-XGRCMKMKSA-N 0 0 430.526 4.023 50 0 biogenic IIAARN COc1ccc(C2=NN(C(=O)COc3cccc4c3CCC[C@@H]4O)[C@H](c3ccco3)C2)cc1 ZINC000008745365 556208771 /nfs/dbraw/zinc/20/87/71/556208771.db2.gz HEFLDBZXZGJCOW-GOTSBHOMSA-N 0 0 446.503 4.415 50 0 IIAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2n1 ZINC000008746486 556209715 /nfs/dbraw/zinc/20/97/15/556209715.db2.gz CJSYZOYFJFVRKX-INIZCTEOSA-N 0 0 445.548 4.231 50 0 IIAARN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000008815761 556217098 /nfs/dbraw/zinc/21/70/98/556217098.db2.gz JPGLBNWILIJOIH-FHXOWUIVSA-N 0 0 445.878 4.188 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccco1 ZINC000008921103 556233367 /nfs/dbraw/zinc/23/33/67/556233367.db2.gz MFPQEBQSFTXFJA-QFIPXVFZSA-N 0 0 440.293 4.092 50 0 IIAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1C ZINC000008922236 556233851 /nfs/dbraw/zinc/23/38/51/556233851.db2.gz VZQXKICSUDFJAP-UHFFFAOYSA-N 0 0 449.459 4.260 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@](O)([C@@H]2CCc3ccccc3C2=O)C1=O ZINC000008971836 556237701 /nfs/dbraw/zinc/23/77/01/556237701.db2.gz UXHRCPGZFYLCTF-VGOFRKELSA-N 0 0 428.326 4.229 50 0 IIAARN O=C(NC[C@H]1CCCO1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1 ZINC000009031491 556241618 /nfs/dbraw/zinc/24/16/18/556241618.db2.gz ZKSDBSVYZDIGCS-JHRFGPFWSA-N 0 0 434.467 4.152 50 0 IIAARN COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000097546835 556247387 /nfs/dbraw/zinc/24/73/87/556247387.db2.gz LLNXKKJMOBFZOZ-CPJSRVTESA-N 0 0 449.620 4.434 50 0 IIAARN COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000097546836 556247492 /nfs/dbraw/zinc/24/74/92/556247492.db2.gz LLNXKKJMOBFZOZ-NLFFAJNJSA-N 0 0 449.620 4.434 50 0 IIAARN CCCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)s1 ZINC000009185164 556250628 /nfs/dbraw/zinc/25/06/28/556250628.db2.gz CZUVHBNUYVDGAN-LJQANCHMSA-N 0 0 433.489 4.361 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1Cl ZINC000009190905 556253187 /nfs/dbraw/zinc/25/31/87/556253187.db2.gz KBNPFSLWXFFFEH-LBPRGKRZSA-N 0 0 431.945 4.252 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000009197076 556255183 /nfs/dbraw/zinc/25/51/83/556255183.db2.gz GPKMUXNISLIYCI-UHFFFAOYSA-N 0 0 445.519 4.043 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009197525 556255816 /nfs/dbraw/zinc/25/58/16/556255816.db2.gz QGNMGFXXZASSRD-RBUKOAKNSA-N 0 0 443.960 4.290 50 0 IIAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000009198259 556256407 /nfs/dbraw/zinc/25/64/07/556256407.db2.gz LHCRGNQQZJZIER-INIZCTEOSA-N 0 0 440.956 4.456 50 0 IIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)Cc3ccc(Cl)cc3)s2)CC1=O ZINC000009198232 556256467 /nfs/dbraw/zinc/25/64/67/556256467.db2.gz RGMVOJPYBDRKLL-HNNXBMFYSA-N 0 0 426.929 4.202 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCCCc1ccccc1)nnc2C ZINC000009224480 556257988 /nfs/dbraw/zinc/25/79/88/556257988.db2.gz NQKVVJUKHCBJET-UHFFFAOYSA-N 0 0 431.565 4.273 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCc1ccc(Cl)cc1)nnc2C ZINC000009224478 556258040 /nfs/dbraw/zinc/25/80/40/556258040.db2.gz GOGQWXCUCYKCEJ-UHFFFAOYSA-N 0 0 437.956 4.494 50 0 IIAARN COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1NC(=O)COc1ccccc1 ZINC000009225114 556258922 /nfs/dbraw/zinc/25/89/22/556258922.db2.gz AAUNEYKJKBCJME-UHFFFAOYSA-N 0 0 434.492 4.347 50 0 IIAARN COc1cc(OC)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000009225569 556259214 /nfs/dbraw/zinc/25/92/14/556259214.db2.gz FKTVELRWOURUBF-VWLOTQADSA-N 0 0 446.528 4.183 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009234327 556263123 /nfs/dbraw/zinc/26/31/23/556263123.db2.gz VJZUCEKEKHIEHD-HNNXBMFYSA-N 0 0 435.430 4.209 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009237277 556264498 /nfs/dbraw/zinc/26/44/98/556264498.db2.gz WUKCNUBVAXTMPB-IAGOWNOFSA-N 0 0 433.459 4.312 50 0 IIAARN CCCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000009236967 556264509 /nfs/dbraw/zinc/26/45/09/556264509.db2.gz IGXJJAKTNCXFPR-KRWDZBQOSA-N 0 0 429.900 4.298 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000009238575 556264650 /nfs/dbraw/zinc/26/46/50/556264650.db2.gz PXPLTAIQBHIACA-RBUKOAKNSA-N 0 0 443.960 4.263 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000009238600 556265035 /nfs/dbraw/zinc/26/50/35/556265035.db2.gz QXDDPMCUUXPHLX-RBUKOAKNSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009238909 556265057 /nfs/dbraw/zinc/26/50/57/556265057.db2.gz XLYYDABMWNRFIV-RTBURBONSA-N 0 0 443.960 4.345 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009238992 556265557 /nfs/dbraw/zinc/26/55/57/556265557.db2.gz AKUCACZQUHRJOK-ROUUACIJSA-N 0 0 429.933 4.036 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000009239246 556265598 /nfs/dbraw/zinc/26/55/98/556265598.db2.gz FWQMEHQQUHCYPO-SFTDATJTSA-N 0 0 437.569 4.254 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1C)S2 ZINC000009239149 556265605 /nfs/dbraw/zinc/26/56/05/556265605.db2.gz SONVQVRFJGJKIM-OALUTQOASA-N 0 0 443.960 4.209 50 0 IIAARN COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1cccc(O)c1 ZINC000009243551 556266979 /nfs/dbraw/zinc/26/69/79/556266979.db2.gz CQNIUSCTDBDAOQ-NRFANRHFSA-N 0 0 427.888 4.031 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032542624 556280272 /nfs/dbraw/zinc/28/02/72/556280272.db2.gz QHOWPFMMNQHXHW-UHFFFAOYSA-N 0 0 441.881 4.124 50 0 IIAARN COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)c1cc(=O)oc2cc(OC)ccc21 ZINC000013690964 556280454 /nfs/dbraw/zinc/28/04/54/556280454.db2.gz SPEHMBPTAXEEEL-KRWDZBQOSA-N 0 0 445.265 4.094 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000009328754 556282400 /nfs/dbraw/zinc/28/24/00/556282400.db2.gz WIRPZALTXISGJK-UHFFFAOYSA-N 0 0 436.324 4.468 50 0 IIAARN COc1ccccc1[C@H]1N=C(Nc2cccc(Cl)c2Cl)Nc2nc(C)cc(=O)n21 ZINC000009347845 556283773 /nfs/dbraw/zinc/28/37/73/556283773.db2.gz LBDJQDPGQUWXOB-SFHVURJKSA-N 0 0 430.295 4.308 50 0 IIAARN O=c1n2nc(-c3ccncc3)nc2c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000013721775 556290564 /nfs/dbraw/zinc/29/05/64/556290564.db2.gz RKCVPCIELPTILT-UHFFFAOYSA-N 0 0 431.496 4.234 50 0 IIAARN CSc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000009472385 556293527 /nfs/dbraw/zinc/29/35/27/556293527.db2.gz TZDBEOMQHZLIMI-MPGHIAIKSA-N 0 0 444.862 4.166 50 0 IIAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000009525977 556296695 /nfs/dbraw/zinc/29/66/95/556296695.db2.gz DDZFYYYWKOICMO-CQSZACIVSA-N 0 0 435.307 4.145 50 0 IIAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000009525978 556296706 /nfs/dbraw/zinc/29/67/06/556296706.db2.gz DDZFYYYWKOICMO-AWEZNQCLSA-N 0 0 435.307 4.145 50 0 IIAARN Brc1ccc(OCc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 ZINC000009531982 556297377 /nfs/dbraw/zinc/29/73/77/556297377.db2.gz SHHLPSUGRVAIMS-HNNXBMFYSA-N 0 0 445.298 4.040 50 0 IIAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000013752146 556299431 /nfs/dbraw/zinc/29/94/31/556299431.db2.gz SOPPHIAJRLCKPQ-CVEARBPZSA-N 0 0 442.002 4.002 50 0 IIAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O ZINC000009581484 556300803 /nfs/dbraw/zinc/30/08/03/556300803.db2.gz KVGUPKCUGISANC-OAQYLSRUSA-N 0 0 444.535 4.043 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000009594420 556301505 /nfs/dbraw/zinc/30/15/05/556301505.db2.gz CXSRRMWVWUBLIP-OAQYLSRUSA-N 0 0 432.314 4.065 50 0 IIAARN Cc1cc(=O)c(C(=O)N[C@@H](C)CCc2ccccc2)nn1-c1ccccc1C(F)(F)F ZINC000032743683 556304064 /nfs/dbraw/zinc/30/40/64/556304064.db2.gz PUESKTLGHWJFGH-HNNXBMFYSA-N 0 0 429.442 4.311 50 0 IIAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2cccc(Br)c2)c1 ZINC000009661442 556304591 /nfs/dbraw/zinc/30/45/91/556304591.db2.gz ITBSOBGRZRGXKW-UHFFFAOYSA-N 0 0 437.297 4.174 50 0 IIAARN O=C(Nc1ccccc1Cl)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663640 556304953 /nfs/dbraw/zinc/30/49/53/556304953.db2.gz LHYQAVDJGTVHNF-KRWDZBQOSA-N 0 0 448.910 4.224 50 0 IIAARN CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3nc4c(s3)CCCC4)nc21 ZINC000009668848 556305439 /nfs/dbraw/zinc/30/54/39/556305439.db2.gz QUPKNUUZTNSHDB-GFCCVEGCSA-N 0 0 438.582 4.454 50 0 IIAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O ZINC000009698718 556306928 /nfs/dbraw/zinc/30/69/28/556306928.db2.gz NEGYWSSWIZGGOC-AWEZNQCLSA-N 0 0 442.928 4.071 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013786407 556309157 /nfs/dbraw/zinc/30/91/57/556309157.db2.gz ZSKPXAODLBDAGG-HYBUGGRVSA-N 0 0 428.444 4.444 50 0 IIAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccs3)c3ccc(Br)cc32)o1 ZINC000009926142 556317031 /nfs/dbraw/zinc/31/70/31/556317031.db2.gz BQWCCBHTMLOOGU-HXUWFJFHSA-N 0 0 446.322 4.419 50 0 IIAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1 ZINC000009934028 556317628 /nfs/dbraw/zinc/31/76/28/556317628.db2.gz JDZHDBDCMSTKDK-NRFANRHFSA-N 0 0 439.512 4.058 50 0 IIAARN O=C(Nc1cc(NC(=O)[C@@H]2CCCO2)cc(-c2nc3ccccc3s2)c1)[C@@H]1CCCO1 ZINC000013844346 556318509 /nfs/dbraw/zinc/31/85/09/556318509.db2.gz WQCCJIULDDSDAQ-OALUTQOASA-N 0 0 437.521 4.198 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000013847178 556319045 /nfs/dbraw/zinc/31/90/45/556319045.db2.gz POXQRHLXCIUJQG-IBGZPJMESA-N 0 0 440.540 4.159 50 0 IIAARN CCc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000009970198 556319261 /nfs/dbraw/zinc/31/92/61/556319261.db2.gz YSBUJQLRAPBNPZ-UHFFFAOYSA-N 0 0 429.505 4.416 50 0 IIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000032760351 556320409 /nfs/dbraw/zinc/32/04/09/556320409.db2.gz KNBZUZSTCXZYJM-UHFFFAOYSA-N 0 0 427.476 4.193 50 0 IIAARN CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)cc1OCC ZINC000010039964 556323439 /nfs/dbraw/zinc/32/34/39/556323439.db2.gz AWDVFPYYZVLWSC-UHFFFAOYSA-N 0 0 443.525 4.196 50 0 IIAARN Cc1cc(CN2CCN(C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)on1 ZINC000032756678 556324685 /nfs/dbraw/zinc/32/46/85/556324685.db2.gz XFHPAZXLQFLXOO-UHFFFAOYSA-N 0 0 443.503 4.023 50 0 IIAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2csc3ccccc23)CC1 ZINC000032757087 556324721 /nfs/dbraw/zinc/32/47/21/556324721.db2.gz SRCMXBDSSQIDDK-QFIPXVFZSA-N 0 0 436.577 4.417 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000032768461 556333185 /nfs/dbraw/zinc/33/31/85/556333185.db2.gz SLTILTMESMTKFN-UHFFFAOYSA-N 0 0 446.945 4.303 50 0 IIAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032768998 556333444 /nfs/dbraw/zinc/33/34/44/556333444.db2.gz QCRQSKHKQRHBMW-HXUWFJFHSA-N 0 0 449.473 4.011 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000032772366 556335168 /nfs/dbraw/zinc/33/51/68/556335168.db2.gz DTASUBMHYFESKS-UHFFFAOYSA-N 0 0 436.533 4.249 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 ZINC000013936365 556336369 /nfs/dbraw/zinc/33/63/69/556336369.db2.gz ZJASIQKYENHVNL-UHFFFAOYSA-N 0 0 431.514 4.444 50 0 IIAARN COc1cc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc(OC)c1OC ZINC000004487170 556337268 /nfs/dbraw/zinc/33/72/68/556337268.db2.gz TVEOPNILOUOYOZ-UHFFFAOYSA-N 0 0 425.485 4.122 50 0 biogenic,in-vitro IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(F)cc4)s3)CC2=O)cc1Cl ZINC000013942521 556339993 /nfs/dbraw/zinc/33/99/93/556339993.db2.gz VQIFNRYVLHIWLF-ZDUSSCGKSA-N 0 0 430.892 4.412 50 0 IIAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccc(Br)cc1F ZINC000011691828 556346807 /nfs/dbraw/zinc/34/68/07/556346807.db2.gz OLIAWSHVOWVXJT-UHFFFAOYSA-N 0 0 435.644 4.122 50 0 IIAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000011706828 556347702 /nfs/dbraw/zinc/34/77/02/556347702.db2.gz HIGIZTKGPPHERE-OAQYLSRUSA-N 0 0 436.527 4.235 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000011715182 556348037 /nfs/dbraw/zinc/34/80/37/556348037.db2.gz DHXQQJSJLKTONZ-QHCPKHFHSA-N 0 0 426.538 4.266 50 0 IIAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000011715190 556348110 /nfs/dbraw/zinc/34/81/10/556348110.db2.gz DHXQQJSJLKTONZ-HSZRJFAPSA-N 0 0 426.538 4.266 50 0 IIAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000013960945 556348699 /nfs/dbraw/zinc/34/86/99/556348699.db2.gz FHJXMIZGSBJUNX-UHFFFAOYSA-N 0 0 430.487 4.359 50 0 IIAARN COc1cc(OC)c(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c(OC)c1 ZINC000011784256 556352498 /nfs/dbraw/zinc/35/24/98/556352498.db2.gz SEGADNQTBBCFGY-XMMPIXPASA-N 0 0 449.547 4.383 50 0 IIAARN CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)cc2)c1 ZINC000011785182 556352886 /nfs/dbraw/zinc/35/28/86/556352886.db2.gz HLFYVWKENXNCLU-JOCHJYFZSA-N 0 0 428.496 4.074 50 0 IIAARN Cn1c(CNC(=O)c2cccc(-c3cccc(F)c3)c2)nnc1SCc1ccccn1 ZINC000011785786 556353214 /nfs/dbraw/zinc/35/32/14/556353214.db2.gz QYUVGSIHNHPNQI-UHFFFAOYSA-N 0 0 433.512 4.239 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014017699 556355992 /nfs/dbraw/zinc/35/59/92/556355992.db2.gz KQDIWVCEYAOAFR-MRXNPFEDSA-N 0 0 433.508 4.127 50 0 IIAARN COc1ccc([C@@H](C)N(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)cc1 ZINC000011813541 556356885 /nfs/dbraw/zinc/35/68/85/556356885.db2.gz IIKDKXJYVSJEHG-QGZVFWFLSA-N 0 0 432.524 4.497 50 0 IIAARN C[C@H](NC(=O)c1cc(COc2cccc3cnccc32)on1)c1cnn(-c2ccccc2)c1 ZINC000011816639 556359091 /nfs/dbraw/zinc/35/90/91/556359091.db2.gz FQZVFNCIPQUREF-KRWDZBQOSA-N 0 0 439.475 4.479 50 0 IIAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCCSc1cc(Cl)ccc1Cl ZINC000014070063 556360769 /nfs/dbraw/zinc/36/07/69/556360769.db2.gz YQFVKPLQPZPSPL-UHFFFAOYSA-N 0 0 448.422 4.412 50 0 IIAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(COc2ccc(C)cc2C)n1N ZINC000014076949 556362197 /nfs/dbraw/zinc/36/21/97/556362197.db2.gz PPNYXJAEVZDBGG-UHFFFAOYSA-N 0 0 426.542 4.081 50 0 IIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014080691 556362797 /nfs/dbraw/zinc/36/27/97/556362797.db2.gz YEUJIDFLCURMRN-UHFFFAOYSA-N 0 0 430.430 4.037 50 0 IIAARN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011839989 556364701 /nfs/dbraw/zinc/36/47/01/556364701.db2.gz LDESYPNQGCLJEY-QGZVFWFLSA-N 0 0 446.016 4.115 50 0 IIAARN O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000014099656 556367915 /nfs/dbraw/zinc/36/79/15/556367915.db2.gz XANBVBPTIIERTF-UHFFFAOYSA-N 0 0 438.265 4.007 50 0 IIAARN O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000011873327 556369751 /nfs/dbraw/zinc/36/97/51/556369751.db2.gz RBSNEXNMWKGJFY-MRXNPFEDSA-N 0 0 425.872 4.037 50 0 IIAARN Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 ZINC000011874909 556371053 /nfs/dbraw/zinc/37/10/53/556371053.db2.gz QZHKDSGCZKCAKE-GOSISDBHSA-N 0 0 437.521 4.384 50 0 IIAARN Cc1ccccc1OCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1 ZINC000014123693 556372936 /nfs/dbraw/zinc/37/29/36/556372936.db2.gz GJWATCOGHNBXPN-UHFFFAOYSA-N 0 0 436.581 4.266 50 0 IIAARN Cc1cc(C(=O)NC[C@@H]2Cc3cc(C)cc(-c4ccc5nc(C)ccc5c4)c3O2)nn1C ZINC000011912379 556375590 /nfs/dbraw/zinc/37/55/90/556375590.db2.gz DMBVRXSYQTXUDA-NRFANRHFSA-N 0 0 426.520 4.294 50 0 IIAARN CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000014139801 556376085 /nfs/dbraw/zinc/37/60/85/556376085.db2.gz LBTMDCBTOZXFFM-UHFFFAOYSA-N 0 0 440.949 4.117 50 0 IIAARN O=C(c1ccccc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914964 556376180 /nfs/dbraw/zinc/37/61/80/556376180.db2.gz BKLRMQZBLSYKGD-LJQANCHMSA-N 0 0 429.925 4.430 50 0 IIAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000011933549 556376948 /nfs/dbraw/zinc/37/69/48/556376948.db2.gz IEQGMBFUDKSKFK-LJQANCHMSA-N 0 0 442.922 4.452 50 0 IIAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1cccc(N2CCCC2=O)c1 ZINC000014141963 556377168 /nfs/dbraw/zinc/37/71/68/556377168.db2.gz OMVNPGJFORVSQA-UHFFFAOYSA-N 0 0 442.541 4.391 50 0 IIAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2ccc(OC(C)C)cc2)C3)n1 ZINC000011975996 556383106 /nfs/dbraw/zinc/38/31/06/556383106.db2.gz WSAOUTCKTPLENQ-IBGZPJMESA-N 0 0 435.499 4.420 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCN(C(=O)C(C)C)CC3)cc12 ZINC000014182849 556383102 /nfs/dbraw/zinc/38/31/02/556383102.db2.gz UKYJKRAIDXZQER-UHFFFAOYSA-N 0 0 444.988 4.048 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)Nc1cccc(Cl)c1)C2 ZINC000064566416 556383722 /nfs/dbraw/zinc/38/37/22/556383722.db2.gz AADREQGCKJLCLW-UHFFFAOYSA-N 0 0 434.887 4.381 50 0 IIAARN O=C(NCCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000011997268 556384160 /nfs/dbraw/zinc/38/41/60/556384160.db2.gz DXMYFBXIFIWNQL-UHFFFAOYSA-N 0 0 442.498 4.103 50 0 IIAARN Cc1ccc(SCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000014186088 556385776 /nfs/dbraw/zinc/38/57/76/556385776.db2.gz FKJAZGCVUBEGBH-UHFFFAOYSA-N 0 0 440.590 4.342 50 0 IIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000014186795 556386340 /nfs/dbraw/zinc/38/63/40/556386340.db2.gz ZNMFUVUMETYMBU-UHFFFAOYSA-N 0 0 443.613 4.104 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)NCc4nccs4)c3C3CC3)n2)c(C)s1 ZINC000012023992 556387472 /nfs/dbraw/zinc/38/74/72/556387472.db2.gz ZGFQFLDQXWFTEX-UHFFFAOYSA-N 0 0 436.566 4.272 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000014190087 556387679 /nfs/dbraw/zinc/38/76/79/556387679.db2.gz FAVPKTRASUEASK-UHFFFAOYSA-N 0 0 443.931 4.062 50 0 IIAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)c2cccnc2C)C3)c1 ZINC000012034499 556389134 /nfs/dbraw/zinc/38/91/34/556389134.db2.gz QPQLFBAGSLZNCV-SFHVURJKSA-N 0 0 438.911 4.461 50 0 IIAARN O=C(COC(=O)CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000014197883 556389403 /nfs/dbraw/zinc/38/94/03/556389403.db2.gz AUVMKUPUJPGSBH-UHFFFAOYSA-N 0 0 449.528 4.462 50 0 IIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000014201383 556391980 /nfs/dbraw/zinc/39/19/80/556391980.db2.gz UCFMGUARGMKXAP-UHFFFAOYSA-N 0 0 439.566 4.049 50 0 IIAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 ZINC000012062214 556395482 /nfs/dbraw/zinc/39/54/82/556395482.db2.gz PJGLKVBCEXSJGP-OAQYLSRUSA-N 0 0 444.579 4.378 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1nnc2ccccn21 ZINC000032810388 556396666 /nfs/dbraw/zinc/39/66/66/556396666.db2.gz XXAKYAWMUFHUHY-OAHLLOKOSA-N 0 0 428.521 4.389 50 0 IIAARN CCOC(=O)N1CCC(NC(=O)CCc2nnc(-c3ccc(-c4ccccc4)cc3)o2)CC1 ZINC000012074955 556397175 /nfs/dbraw/zinc/39/71/75/556397175.db2.gz UXVOWGJAUHFPGP-UHFFFAOYSA-N 0 0 448.523 4.073 50 0 IIAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 ZINC000032819051 556399429 /nfs/dbraw/zinc/39/94/29/556399429.db2.gz QWOXEAVKVMHUHB-SFHVURJKSA-N 0 0 434.652 4.420 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2ccc(-c3csc(C)n3)cc2NC(C)=O)c1 ZINC000032814317 556399727 /nfs/dbraw/zinc/39/97/27/556399727.db2.gz HHTBAHCOKWDTAC-UHFFFAOYSA-N 0 0 441.509 4.112 50 0 IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000014240847 556401230 /nfs/dbraw/zinc/40/12/30/556401230.db2.gz YCIVWTREZIVTRI-UHFFFAOYSA-N 0 0 427.913 4.201 50 0 IIAARN COc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)sc2C)cc1 ZINC000014240967 556401607 /nfs/dbraw/zinc/40/16/07/556401607.db2.gz JBTUEOIJNYGMKH-NRFANRHFSA-N 0 0 437.565 4.449 50 0 IIAARN COc1cc(OC)c(OC)cc1CNC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000014241552 556402034 /nfs/dbraw/zinc/40/20/34/556402034.db2.gz OUOFVKMBHJZJQL-UHFFFAOYSA-N 0 0 449.594 4.276 50 0 IIAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1ccccc1F ZINC000012376088 556404023 /nfs/dbraw/zinc/40/40/23/556404023.db2.gz VKQMTCVVYBEPNS-QFIPXVFZSA-N 0 0 447.432 4.436 50 0 IIAARN CCOc1ccc(CN(C)Cn2nc([C@@H]3COc4ccccc4O3)oc2=S)cc1OC ZINC000014244916 556404732 /nfs/dbraw/zinc/40/47/32/556404732.db2.gz RBZIAIDGRUYMBT-FQEVSTJZSA-N 0 0 443.525 4.215 50 0 IIAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000032578630 556405231 /nfs/dbraw/zinc/40/52/31/556405231.db2.gz FEKGEOYXYBZKIF-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578564 556405259 /nfs/dbraw/zinc/40/52/59/556405259.db2.gz MVJLNFFQNMFGFF-UHFFFAOYSA-N 0 0 429.432 4.208 50 0 IIAARN O=S(=O)(c1cccc2ccccc21)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219260415 556406288 /nfs/dbraw/zinc/40/62/88/556406288.db2.gz XBIHFDPAHIJRNY-OAQYLSRUSA-N 0 0 427.547 4.437 50 0 IIAARN CC(C)(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000032593767 556407217 /nfs/dbraw/zinc/40/72/17/556407217.db2.gz QOFJEEZPQVVERR-QFIPXVFZSA-N 0 0 430.976 4.206 50 0 IIAARN O=C(COc1ccc(Br)cc1)Nc1nonc1-c1ccc2c(c1)CCCC2 ZINC000032594060 556407485 /nfs/dbraw/zinc/40/74/85/556407485.db2.gz GDCOZZZJYPUDRO-UHFFFAOYSA-N 0 0 428.286 4.395 50 0 IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Br)cc1F ZINC000014249175 556408024 /nfs/dbraw/zinc/40/80/24/556408024.db2.gz AKVSJIMWRDKFGS-UHFFFAOYSA-N 0 0 436.306 4.287 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1OC ZINC000032623083 556410462 /nfs/dbraw/zinc/41/04/62/556410462.db2.gz HMHAIJCEGKAEQO-GOSISDBHSA-N 0 0 441.553 4.377 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000032819581 556412242 /nfs/dbraw/zinc/41/22/42/556412242.db2.gz NZAWBLWVXSPVAV-DEOSSOPVSA-N 0 0 437.503 4.193 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(-n2cnnc2)c1 ZINC000032646663 556412509 /nfs/dbraw/zinc/41/25/09/556412509.db2.gz BHCCLIAYBRWCHJ-UHFFFAOYSA-N 0 0 425.920 4.237 50 0 IIAARN Cc1cccc(C)c1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012938287 556416529 /nfs/dbraw/zinc/41/65/29/556416529.db2.gz ROXUZHVNBQEWAD-UHFFFAOYSA-N 0 0 430.551 4.208 50 0 IIAARN Cc1ccccc1CN1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000022932384 556418132 /nfs/dbraw/zinc/41/81/32/556418132.db2.gz SONGTHXNWAVUHG-UHFFFAOYSA-N 0 0 430.577 4.278 50 0 IIAARN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000032668397 556418196 /nfs/dbraw/zinc/41/81/96/556418196.db2.gz CGVNHQDYKQFLLH-UHFFFAOYSA-N 0 0 449.438 4.161 50 0 IIAARN O=C(CCN1CCSC1=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012971970 556419178 /nfs/dbraw/zinc/41/91/78/556419178.db2.gz DUOOLIPRYTVPEJ-UHFFFAOYSA-N 0 0 437.443 4.455 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1Br ZINC000012973476 556419756 /nfs/dbraw/zinc/41/97/56/556419756.db2.gz QXKJPEGRHXYXQF-MRXNPFEDSA-N 0 0 430.346 4.047 50 0 IIAARN O=C(c1cnn(-c2ccccc2)c1)c1ccccc1OC[C@H](O)COc1ccc(F)cc1 ZINC000012974883 556420877 /nfs/dbraw/zinc/42/08/77/556420877.db2.gz RLKRTWCKSGNWEC-OAQYLSRUSA-N 0 0 432.451 4.061 50 0 IIAARN Cc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012975651 556421346 /nfs/dbraw/zinc/42/13/46/556421346.db2.gz SECKHFYPYIICNI-UHFFFAOYSA-N 0 0 445.441 4.157 50 0 IIAARN COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@@H]1CCCO1 ZINC000014539925 556425299 /nfs/dbraw/zinc/42/52/99/556425299.db2.gz FEXFMQWUKZOEIS-SFHVURJKSA-N 0 0 428.533 4.095 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012987386 556427648 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427.353 4.195 50 0 IIAARN Cc1ccc2nc(C)c(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc2c1 ZINC000012995380 556430722 /nfs/dbraw/zinc/43/07/22/556430722.db2.gz ZMQNGFADEXKHIX-UHFFFAOYSA-N 0 0 426.314 4.291 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc2c(c1)OCCCO2 ZINC000012997336 556431779 /nfs/dbraw/zinc/43/17/79/556431779.db2.gz BNJHHQJNOOQYCE-LJQANCHMSA-N 0 0 440.359 4.286 50 0 IIAARN CSc1ccc(N2C[C@H](C(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2=O)cc1 ZINC000012998491 556432345 /nfs/dbraw/zinc/43/23/45/556432345.db2.gz MIRXRUGPSYMZFJ-CYBMUJFWSA-N 0 0 432.929 4.215 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)cc2)cc1OC ZINC000032854656 556432656 /nfs/dbraw/zinc/43/26/56/556432656.db2.gz JAJBJRFVFAVXJJ-UHFFFAOYSA-N 0 0 448.519 4.327 50 0 IIAARN COC(=O)c1c(C)n(C2CC2)c2ccc(OCC(=O)Nc3cc(OC)ccc3OC)cc21 ZINC000032855744 556433128 /nfs/dbraw/zinc/43/31/28/556433128.db2.gz VJWTUFRMTDQZMG-UHFFFAOYSA-N 0 0 438.480 4.106 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000013000900 556433182 /nfs/dbraw/zinc/43/31/82/556433182.db2.gz ZDMUSFPCYIHXRH-UHFFFAOYSA-N 0 0 439.537 4.155 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2C(F)(F)F)cc1 ZINC000032856015 556433397 /nfs/dbraw/zinc/43/33/97/556433397.db2.gz YDXFOVLPFVDHLA-UHFFFAOYSA-N 0 0 430.430 4.288 50 0 IIAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC[C@@H]3COc4ccccc4O3)c2n1 ZINC000032857076 556433798 /nfs/dbraw/zinc/43/37/98/556433798.db2.gz XYMVNSORPKWHLA-CYBMUJFWSA-N 0 0 433.291 4.185 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)COc3ccc(Cl)cc3C)CC2)c(OC)c1 ZINC000013012717 556436204 /nfs/dbraw/zinc/43/62/04/556436204.db2.gz BSNCVOHEORZDQC-UHFFFAOYSA-N 0 0 431.916 4.369 50 0 IIAARN Cc1c(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cnn1-c1ccccc1F ZINC000013012342 556436283 /nfs/dbraw/zinc/43/62/83/556436283.db2.gz CLOADGITSMSXCG-UHFFFAOYSA-N 0 0 442.494 4.071 50 0 IIAARN Cc1ccc(-c2csc3[nH]c(CSc4nnnn4-c4ccccc4)nc(=O)c23)s1 ZINC000013017086 556438330 /nfs/dbraw/zinc/43/83/30/556438330.db2.gz XLXZIXFGFISLEQ-UHFFFAOYSA-N 0 0 438.563 4.290 50 0 IIAARN CC[C@H](C)C(=O)Nc1c2cc(NCCC(C)C)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014741388 556438868 /nfs/dbraw/zinc/43/88/68/556438868.db2.gz DRUBPKGYGQHBRO-FUHWJXTLSA-N 0 0 444.576 4.445 50 0 IIAARN CCc1nn2c(nc(COC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2=O)s1 ZINC000013026790 556440640 /nfs/dbraw/zinc/44/06/40/556440640.db2.gz AKSXCDBJGUUTAK-UHFFFAOYSA-N 0 0 442.500 4.286 50 0 IIAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000014762289 556445134 /nfs/dbraw/zinc/44/51/34/556445134.db2.gz RDIZBAIUTFSMCE-KRWDZBQOSA-N 0 0 447.568 4.107 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(C)n(C)c3C)cs2)c1 ZINC000013039569 556445343 /nfs/dbraw/zinc/44/53/43/556445343.db2.gz SYQBXJLNAZVMOU-UHFFFAOYSA-N 0 0 446.598 4.048 50 0 IIAARN Nc1nc(SCCOc2ccccc2)nc(-c2cc(C3CC3)nn2-c2ccccc2)n1 ZINC000013041517 556447491 /nfs/dbraw/zinc/44/74/91/556447491.db2.gz DZHZDWHGNPBIBD-UHFFFAOYSA-N 0 0 430.537 4.355 50 0 IIAARN COc1ccc(CN(C(=O)CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)C2CC2)cc1 ZINC000014807844 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4.024 50 0 IIAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCCOc1ccc(Br)cc1 ZINC000013097364 556457852 /nfs/dbraw/zinc/45/78/52/556457852.db2.gz USQIBFDIQJIAHR-UHFFFAOYSA-N 0 0 447.112 4.108 50 0 IIAARN CCc1cc2oc(=O)cc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)c2cc1Cl ZINC000013101487 556460640 /nfs/dbraw/zinc/46/06/40/556460640.db2.gz OMDQFCRFGKNTCX-QFIPXVFZSA-N 0 0 442.924 4.354 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000013101910 556460804 /nfs/dbraw/zinc/46/08/04/556460804.db2.gz DHIMBNUEHVOPNV-UHFFFAOYSA-N 0 0 426.923 4.240 50 0 IIAARN CCc1noc(C)c1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000014954291 556461636 /nfs/dbraw/zinc/46/16/36/556461636.db2.gz DQQUUSBPFQBRBH-IBGZPJMESA-N 0 0 431.536 4.495 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3ccccc3c3nc(C)nn32)c1C ZINC000032871519 556464285 /nfs/dbraw/zinc/46/42/85/556464285.db2.gz PLDTYEMEUVRFFG-ZDUSSCGKSA-N 0 0 437.525 4.071 50 0 IIAARN Cc1nc(CN2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC2)cs1 ZINC000028959715 556464980 /nfs/dbraw/zinc/46/49/80/556464980.db2.gz OVCMONYBPYFQJO-UHFFFAOYSA-N 0 0 429.549 4.020 50 0 IIAARN O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)C1 ZINC000014966452 556465788 /nfs/dbraw/zinc/46/57/88/556465788.db2.gz ZGLGOUWPXPTWDT-KNQAVFIVSA-N 0 0 445.003 4.028 50 0 IIAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cncc(Br)c1 ZINC000029075590 556466640 /nfs/dbraw/zinc/46/66/40/556466640.db2.gz ZRPXQRSATLIXDW-UHFFFAOYSA-N 0 0 428.208 4.464 50 0 IIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000013115266 556467846 /nfs/dbraw/zinc/46/78/46/556467846.db2.gz FXDHKWGKGOLIHB-INIZCTEOSA-N 0 0 441.491 4.068 50 0 IIAARN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000013115651 556468294 /nfs/dbraw/zinc/46/82/94/556468294.db2.gz VWYITFJWNNOGHL-ROUUACIJSA-N 0 0 430.570 4.079 50 0 IIAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)o3)cc2C1 ZINC000013116233 556468889 /nfs/dbraw/zinc/46/88/89/556468889.db2.gz OKUUOGHYUVTCRU-NSHDSACASA-N 0 0 441.534 4.229 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2cccc3cccnc32)c1 ZINC000013117666 556470351 /nfs/dbraw/zinc/47/03/51/556470351.db2.gz KCWYFTWOYBNRQG-UHFFFAOYSA-N 0 0 447.516 4.077 50 0 IIAARN CSc1ccc2cc(CNCc3cnn(-c4ccccc4)n3)c(=O)n(CC(C)C)c2c1 ZINC000014981052 556470817 /nfs/dbraw/zinc/47/08/17/556470817.db2.gz UWSUPTZCEVMMDU-UHFFFAOYSA-N 0 0 433.581 4.250 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)c2c(=O)[nH]c(SCC(C)C)nc2N1 ZINC000013120174 556472318 /nfs/dbraw/zinc/47/23/18/556472318.db2.gz AWVJNFPFVASLHO-QGZVFWFLSA-N 0 0 431.533 4.440 50 0 IIAARN COC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000029328778 556472546 /nfs/dbraw/zinc/47/25/46/556472546.db2.gz FEMZKJITIFGOOU-FOIQADDNSA-N 0 0 426.904 4.190 50 0 IIAARN CN(Cc1ccc(Cl)s1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000013120931 556473317 /nfs/dbraw/zinc/47/33/17/556473317.db2.gz SCUZBELYGQDEST-HSZRJFAPSA-N 0 0 439.968 4.481 50 0 IIAARN Cn1c2ccccc2c2cc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)ccc21 ZINC000014988363 556473702 /nfs/dbraw/zinc/47/37/02/556473702.db2.gz AQKQUPNRJYUDFB-UHFFFAOYSA-N 0 0 441.531 4.085 50 0 IIAARN COc1cccc(C[C@@H](C2CCN(C(=O)C3=CCCC3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014993117 556476226 /nfs/dbraw/zinc/47/62/26/556476226.db2.gz RAIFIXZZHVMQED-QHCPKHFHSA-N 0 0 436.552 4.320 50 0 IIAARN COc1ccc(-n2c(CNC(=O)C3(c4ccc(Cl)cc4)CCC3)nnc2SC)cc1 ZINC000014996592 556478056 /nfs/dbraw/zinc/47/80/56/556478056.db2.gz KJDZHLJPICUQTH-UHFFFAOYSA-N 0 0 442.972 4.389 50 0 IIAARN Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000013128980 556478537 /nfs/dbraw/zinc/47/85/37/556478537.db2.gz IQSJWXYGDOREKP-KRWDZBQOSA-N 0 0 425.506 4.355 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000029621533 556479008 /nfs/dbraw/zinc/47/90/08/556479008.db2.gz PWZIHZLZXXMXQY-UHFFFAOYSA-N 0 0 437.407 4.441 50 0 IIAARN FC(F)(F)c1cnc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)c(Cl)c1 ZINC000029630153 556479089 /nfs/dbraw/zinc/47/90/89/556479089.db2.gz HITKPOFXPVXHGQ-UHFFFAOYSA-N 0 0 429.855 4.188 50 0 IIAARN Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)s1 ZINC000013129599 556479152 /nfs/dbraw/zinc/47/91/52/556479152.db2.gz BQUZJYLTBYWXON-QGZVFWFLSA-N 0 0 425.506 4.355 50 0 IIAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)[nH]c(=O)c2c1C ZINC000015001523 556479733 /nfs/dbraw/zinc/47/97/33/556479733.db2.gz SEGWASUESMNZSY-VIFPVBQESA-N 0 0 427.473 4.279 50 0 IIAARN COc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)cs2)cc1OC ZINC000029744500 556481165 /nfs/dbraw/zinc/48/11/65/556481165.db2.gz ACQQSGYHGMVUHI-UHFFFAOYSA-N 0 0 431.568 4.216 50 0 IIAARN COc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000013133863 556481753 /nfs/dbraw/zinc/48/17/53/556481753.db2.gz RUOXPAZAJCHJJA-UHFFFAOYSA-N 0 0 449.503 4.195 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 ZINC000029793020 556482859 /nfs/dbraw/zinc/48/28/59/556482859.db2.gz MGIBGAKMRVGWRE-QFIPXVFZSA-N 0 0 432.549 4.210 50 0 IIAARN CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000011059912 556482908 /nfs/dbraw/zinc/48/29/08/556482908.db2.gz BOXRJRHWZZBZCC-UHFFFAOYSA-N 0 0 429.973 4.353 50 0 IIAARN CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)n1 ZINC000029797700 556483084 /nfs/dbraw/zinc/48/30/84/556483084.db2.gz KRPZHCDVBLLPLL-LJQANCHMSA-N 0 0 427.570 4.273 50 0 IIAARN O=C(c1ccc(Br)s1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000029854548 556484600 /nfs/dbraw/zinc/48/46/00/556484600.db2.gz JAVUZKHIZDBNEK-UHFFFAOYSA-N 0 0 438.372 4.185 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000029871936 556484831 /nfs/dbraw/zinc/48/48/31/556484831.db2.gz IHYLUKYWFBALOS-UHFFFAOYSA-N 0 0 448.495 4.149 50 0 IIAARN Cc1ccc(C)c(OCc2nnc(SCCS(=O)(=O)c3cc(C)ccc3C)o2)c1 ZINC000029873955 556485162 /nfs/dbraw/zinc/48/51/62/556485162.db2.gz KRTLVRGKTBZCDV-UHFFFAOYSA-N 0 0 432.567 4.448 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)n2)cc1 ZINC000013141128 556486352 /nfs/dbraw/zinc/48/63/52/556486352.db2.gz IRLGVCAYOOKQTH-IBGZPJMESA-N 0 0 427.501 4.351 50 0 IIAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CSc1cccc[n+]1[O-] ZINC000013146238 556488115 /nfs/dbraw/zinc/48/81/15/556488115.db2.gz PGUPNEOLMPZKGK-UHFFFAOYSA-N 0 0 432.498 4.095 50 0 IIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1NC(=O)c1ccco1 ZINC000013147773 556488996 /nfs/dbraw/zinc/48/89/96/556488996.db2.gz OLEJLRRXAKZHIO-UHFFFAOYSA-N 0 0 430.819 4.428 50 0 IIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000030030687 556489950 /nfs/dbraw/zinc/48/99/50/556489950.db2.gz WEJLOAAYWVKFFA-LJQANCHMSA-N 0 0 444.457 4.029 50 0 IIAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000030030688 556489984 /nfs/dbraw/zinc/48/99/84/556489984.db2.gz WEJLOAAYWVKFFA-IBGZPJMESA-N 0 0 444.457 4.029 50 0 IIAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc2[nH]cnc2c1 ZINC000030121707 556490600 /nfs/dbraw/zinc/49/06/00/556490600.db2.gz YVVYTZXNSAUNSH-UHFFFAOYSA-N 0 0 426.885 4.269 50 0 IIAARN CC(C)[C@@H](C)NC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011071045 556495089 /nfs/dbraw/zinc/49/50/89/556495089.db2.gz XBIKNXSRQLQMKV-IENJSVCTSA-N 0 0 437.565 4.377 50 0 IIAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccoc3)c(N3CCCC3)nc2c1 ZINC000015071293 556495687 /nfs/dbraw/zinc/49/56/87/556495687.db2.gz KTCCBUCIMGFZHZ-QFIPXVFZSA-N 0 0 435.524 4.258 50 0 IIAARN CCCO[C@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000015072136 556496764 /nfs/dbraw/zinc/49/67/64/556496764.db2.gz SECAFYFUNMBPDZ-FQEVSTJZSA-N 0 0 440.613 4.102 50 0 IIAARN CN(c1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1)S(C)(=O)=O ZINC000013164796 556497366 /nfs/dbraw/zinc/49/73/66/556497366.db2.gz DVVLCPVTLHJXIO-UHFFFAOYSA-N 0 0 427.551 4.221 50 0 IIAARN Cn1c(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc2ccccc21 ZINC000015073375 556497804 /nfs/dbraw/zinc/49/78/04/556497804.db2.gz FOZYFSRDRWWQFJ-QGZVFWFLSA-N 0 0 426.511 4.160 50 0 IIAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CCN2Cc3ccccc3C2=O)c1 ZINC000015078501 556500288 /nfs/dbraw/zinc/50/02/88/556500288.db2.gz ZNBHRIPVSXZONR-HSZRJFAPSA-N 0 0 428.536 4.029 50 0 IIAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c2nc3n(c2n1)CCCCC3 ZINC000030781249 556505861 /nfs/dbraw/zinc/50/58/61/556505861.db2.gz KKZKEMGLMRGUAI-UHFFFAOYSA-N 0 0 443.507 4.241 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(CSc2nnc3sc4ccccc4n23)s1 ZINC000030791336 556506127 /nfs/dbraw/zinc/50/61/27/556506127.db2.gz PZMSDDQIOQSLSB-UHFFFAOYSA-N 0 0 442.526 4.479 50 0 IIAARN CCc1nnc2sc(-c3ccc(CNC(=O)c4cccc(Br)c4)cc3)nn12 ZINC000030822840 556506795 /nfs/dbraw/zinc/50/67/95/556506795.db2.gz ITARDLYLDWTQKO-UHFFFAOYSA-N 0 0 442.342 4.108 50 0 IIAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000013514436 556511465 /nfs/dbraw/zinc/51/14/65/556511465.db2.gz PHKAQLHLUQMNID-QGZVFWFLSA-N 0 0 429.856 4.365 50 0 IIAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000013535146 556513271 /nfs/dbraw/zinc/51/32/71/556513271.db2.gz RIHZBNQAWOYCOF-MHZLTWQESA-N 0 0 446.506 4.440 50 0 IIAARN O=C(Cc1csc(-c2cccc(Cl)c2)n1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000030937055 556515318 /nfs/dbraw/zinc/51/53/18/556515318.db2.gz JVGHTEWEXNUOAE-GOSISDBHSA-N 0 0 448.013 4.257 50 0 IIAARN O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccccc1)Nc1ccc(Cl)cn1 ZINC000015303833 556517144 /nfs/dbraw/zinc/51/71/44/556517144.db2.gz VJSAOIWHILRHBB-GZTJUZNOSA-N 0 0 438.896 4.444 50 0 IIAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(I)c1 ZINC000015304971 556517511 /nfs/dbraw/zinc/51/75/11/556517511.db2.gz ZUPUSGXBBUFULL-INIZCTEOSA-N 0 0 437.281 4.076 50 0 IIAARN COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)(C)C ZINC000015314338 556518662 /nfs/dbraw/zinc/51/86/62/556518662.db2.gz HUHYQTHRWYTSFZ-LJQCHSNASA-N 0 0 448.629 4.107 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013565836 556518908 /nfs/dbraw/zinc/51/89/08/556518908.db2.gz IYESTIHFPFIPRY-QHCPKHFHSA-N 0 0 436.489 4.077 50 0 IIAARN COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000013573221 556523844 /nfs/dbraw/zinc/52/38/44/556523844.db2.gz JNEULNOJTWKKLJ-NRFANRHFSA-N 0 0 438.443 4.497 50 0 IIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000072301002 556523880 /nfs/dbraw/zinc/52/38/80/556523880.db2.gz CNSYHRPGMIJPML-NRFANRHFSA-N 0 0 448.350 4.132 50 0 IIAARN CCOc1ccc(CCn2cnc3c(c(C)c(C)n3-c3cccnc3)c2=N)cc1OCC ZINC000013593510 556531227 /nfs/dbraw/zinc/53/12/27/556531227.db2.gz BWSMYHYBUHOKQF-UHFFFAOYSA-N 0 0 431.540 4.358 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cncc(Br)c2)cc1 ZINC000015540214 556533766 /nfs/dbraw/zinc/53/37/66/556533766.db2.gz VNNWVWYUPWQTPD-UHFFFAOYSA-N 0 0 427.254 4.324 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000011083078 556534011 /nfs/dbraw/zinc/53/40/11/556534011.db2.gz XJWDUNMHRMPRGJ-UHFFFAOYSA-N 0 0 444.535 4.316 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccco3)n2)c1 ZINC000032901221 556534448 /nfs/dbraw/zinc/53/44/48/556534448.db2.gz ATZGTJPBVCBBAU-OAHLLOKOSA-N 0 0 446.550 4.323 50 0 IIAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(-n2ccnc2)cc1 ZINC000015565521 556535300 /nfs/dbraw/zinc/53/53/00/556535300.db2.gz DRVACYPRQYBETL-INIZCTEOSA-N 0 0 428.521 4.223 50 0 IIAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)sc2cccc(F)c12 ZINC000015583500 556535875 /nfs/dbraw/zinc/53/58/75/556535875.db2.gz JNDRVDPGCJKUDK-UHFFFAOYSA-N 0 0 439.556 4.362 50 0 IIAARN COc1cc2c(cc1NC(=O)CSCC(=O)Nc1cc(C)on1)oc1ccccc12 ZINC000015597993 556536785 /nfs/dbraw/zinc/53/67/85/556536785.db2.gz VPKHIJGVKPEWCK-UHFFFAOYSA-N 0 0 425.466 4.201 50 0 IIAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCN(Cc4ccccc4)CC3)c(C)c21 ZINC000013626544 556537319 /nfs/dbraw/zinc/53/73/19/556537319.db2.gz KOKHOODDOAYNLE-UHFFFAOYSA-N 0 0 444.531 4.351 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000032719721 556538256 /nfs/dbraw/zinc/53/82/56/556538256.db2.gz PTZQVCRYQLBSPQ-UHFFFAOYSA-N 0 0 427.501 4.134 50 0 IIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(CCO)Cc1ccccc1 ZINC000032719890 556538588 /nfs/dbraw/zinc/53/85/88/556538588.db2.gz OBTLWOKIDORWTM-UHFFFAOYSA-N 0 0 427.504 4.183 50 0 IIAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Br ZINC000013629107 556538595 /nfs/dbraw/zinc/53/85/95/556538595.db2.gz VFRZDUPZVLOZBX-SNVBAGLBSA-N 0 0 437.359 4.385 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2ccc(F)cc2)n1C ZINC000032579312 556541347 /nfs/dbraw/zinc/54/13/47/556541347.db2.gz KMSGBSYYSIEJMI-IBGZPJMESA-N 0 0 426.517 4.056 50 0 IIAARN Cc1cc(NCCN2CCOCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000015670903 556541969 /nfs/dbraw/zinc/54/19/69/556541969.db2.gz BSOARDSIMTWMOF-UHFFFAOYSA-N 0 0 439.869 4.121 50 0 IIAARN Cc1c(-c2cc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)on2)cnn1C ZINC000013641881 556542524 /nfs/dbraw/zinc/54/25/24/556542524.db2.gz WZFKNFQLEWHHLI-UHFFFAOYSA-N 0 0 428.514 4.141 50 0 IIAARN CC(C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000004435214 556545664 /nfs/dbraw/zinc/54/56/64/556545664.db2.gz ZZOLUJJABXJPPT-UHFFFAOYSA-N 0 0 427.545 4.267 50 0 IIAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000015724897 556546267 /nfs/dbraw/zinc/54/62/67/556546267.db2.gz KKGNPDHRQHVODQ-HSZRJFAPSA-N 0 0 428.488 4.160 50 0 IIAARN COc1cccc(-c2nnc3sc(CCc4c(C)nn(-c5ccccc5)c4C)nn32)c1 ZINC000013655795 556546430 /nfs/dbraw/zinc/54/64/30/556546430.db2.gz DXCCDLCQQPXONW-UHFFFAOYSA-N 0 0 430.537 4.449 50 0 IIAARN COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2ccc(I)cc2)c1 ZINC000072303783 556548076 /nfs/dbraw/zinc/54/80/76/556548076.db2.gz BFIQFSWWJOYMKJ-KRWDZBQOSA-N 0 0 437.277 4.286 50 0 IIAARN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000072303777 556548053 /nfs/dbraw/zinc/54/80/53/556548053.db2.gz CHHBYQASKXJZQI-IBGZPJMESA-N 0 0 443.288 4.454 50 0 IIAARN NC(=O)CCn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1ccco1 ZINC000032905725 556555974 /nfs/dbraw/zinc/55/59/74/556555974.db2.gz IGRPVOOLCPHEFA-UHFFFAOYSA-N 0 0 445.957 4.483 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC(C(=O)NCCc4ccccc4Cl)CC3)c2c1C ZINC000032960189 556556289 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IIAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc3c2ccn3CC(C)C)n1 ZINC000071284845 556562846 /nfs/dbraw/zinc/56/28/46/556562846.db2.gz KLODINOISKJXCL-UHFFFAOYSA-N 0 0 448.498 4.307 50 0 IIAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(Br)cc2)c2cccs2)CC1 ZINC000032907841 556563913 /nfs/dbraw/zinc/56/39/13/556563913.db2.gz SDNQSNVOXQRZIB-SAPNQHFASA-N 0 0 449.370 4.352 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c1 ZINC000032960244 556565012 /nfs/dbraw/zinc/56/50/12/556565012.db2.gz NAIMOBLAIPJCOQ-SFHVURJKSA-N 0 0 436.512 4.180 50 0 IIAARN O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1nc2ccccc2s1 ZINC000032908906 556566309 /nfs/dbraw/zinc/56/63/09/556566309.db2.gz RHTYUVMGIYRNEQ-UHFFFAOYSA-N 0 0 427.411 4.259 50 0 IIAARN COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000015952677 556569092 /nfs/dbraw/zinc/56/90/92/556569092.db2.gz BLFNRIXYRKQHJE-QHCPKHFHSA-N 0 0 431.448 4.138 50 0 IIAARN O=C(COc1cccc(F)c1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015981922 556570916 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428.470 4.084 50 0 IIAARN Cc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000033011872 556660102 /nfs/dbraw/zinc/66/01/02/556660102.db2.gz ADBMIEQNMYDAKO-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000033011892 556660141 /nfs/dbraw/zinc/66/01/41/556660141.db2.gz RQDYZXSVUWOVRD-UHFFFAOYSA-N 0 0 444.466 4.190 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)s1 ZINC000017097540 556661674 /nfs/dbraw/zinc/66/16/74/556661674.db2.gz VIHWZBCFMMOKRX-UHFFFAOYSA-N 0 0 431.517 4.463 50 0 IIAARN Cc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)cc1Cl ZINC000017098217 556662762 /nfs/dbraw/zinc/66/27/62/556662762.db2.gz GUOPZLJMEOTEJP-UHFFFAOYSA-N 0 0 432.895 4.487 50 0 IIAARN CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000017100742 556665726 /nfs/dbraw/zinc/66/57/26/556665726.db2.gz YWPWIKWDRFDVEY-LBPRGKRZSA-N 0 0 436.603 4.090 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000044170441 556666381 /nfs/dbraw/zinc/66/63/81/556666381.db2.gz NWENWFRFEFHTHZ-UHFFFAOYSA-N 0 0 436.505 4.090 50 0 IIAARN COc1ccc(-c2cn3c(C(=O)N4CCN(c5ccccc5OC)CC4)csc3n2)cc1 ZINC000011902210 556669734 /nfs/dbraw/zinc/66/97/34/556669734.db2.gz XJNHCDQNOCDBQO-UHFFFAOYSA-N 0 0 448.548 4.042 50 0 IIAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(=O)[nH]c2c(c1O)CCCC2 ZINC000017159451 556670575 /nfs/dbraw/zinc/67/05/75/556670575.db2.gz HPOIDAFQKRCTDH-UHFFFAOYSA-N 0 0 425.554 4.136 50 0 IIAARN CC(=O)N[C@@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1Cl ZINC000032929433 556671362 /nfs/dbraw/zinc/67/13/62/556671362.db2.gz JEWYSEPJXIQWQM-SFHVURJKSA-N 0 0 438.307 4.465 50 0 IIAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)cc3)on1)CCCC2 ZINC000011915720 556674440 /nfs/dbraw/zinc/67/44/40/556674440.db2.gz CWPWKQSZEGNPPM-UHFFFAOYSA-N 0 0 425.510 4.293 50 0 IIAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000032931463 556675410 /nfs/dbraw/zinc/67/54/10/556675410.db2.gz DZSUFFPKTXCKKI-UHFFFAOYSA-N 0 0 434.302 4.044 50 0 IIAARN O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033019343 556675914 /nfs/dbraw/zinc/67/59/14/556675914.db2.gz FBGLKFCDBPZFCP-XMMPIXPASA-N 0 0 436.577 4.178 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000032933357 556677506 /nfs/dbraw/zinc/67/75/06/556677506.db2.gz XQTGWESRBNWFPN-INIZCTEOSA-N 0 0 441.837 4.213 50 0 IIAARN CCOc1ccc(CCC2CCN(C(=O)CCn3cnc4sccc4c3=O)CC2)cc1 ZINC000011984711 556678339 /nfs/dbraw/zinc/67/83/39/556678339.db2.gz VHEXXDAAKCAHDB-UHFFFAOYSA-N 0 0 439.581 4.118 50 0 IIAARN CC1CCN(c2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n2C2CC2)CC1 ZINC000011985347 556678343 /nfs/dbraw/zinc/67/83/43/556678343.db2.gz HVZUFIKJTKOCTR-UHFFFAOYSA-N 0 0 437.516 4.182 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(CCCNc2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000032936800 556678695 /nfs/dbraw/zinc/67/86/95/556678695.db2.gz ZTWMVQTTXIUWJQ-UHFFFAOYSA-N 0 0 448.571 4.047 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1Cl ZINC000011999187 556679693 /nfs/dbraw/zinc/67/96/93/556679693.db2.gz JJNNHCSQGLIFFD-UHFFFAOYSA-N 0 0 429.325 4.184 50 0 IIAARN CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)c1ccc(F)cc1 ZINC000017974470 556680633 /nfs/dbraw/zinc/68/06/33/556680633.db2.gz GFDOZXXPEGROJV-UHFFFAOYSA-N 0 0 432.908 4.247 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)nc3c1CCC3)C[C@H](C)CC2 ZINC000012016832 556681364 /nfs/dbraw/zinc/68/13/64/556681364.db2.gz XRBPNFDYHZZSLS-GFCCVEGCSA-N 0 0 445.610 4.368 50 0 IIAARN CCCC[C@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018088038 556683516 /nfs/dbraw/zinc/68/35/16/556683516.db2.gz ZAUZAQDAHGLIAO-INSWNQOLSA-N 0 0 431.532 4.389 50 0 IIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109880895 556685342 /nfs/dbraw/zinc/68/53/42/556685342.db2.gz ZKWTUIDOCNHRCV-DNVCBOLYSA-N 0 0 445.357 4.248 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)c(C)c1 ZINC000033020737 556685872 /nfs/dbraw/zinc/68/58/72/556685872.db2.gz QCOFMLLHQJGMCA-VXKWHMMOSA-N 0 0 435.616 4.424 50 0 IIAARN C[C@@H](OC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C(=O)N1CCOCC1 ZINC000010635810 556686379 /nfs/dbraw/zinc/68/63/79/556686379.db2.gz WNEJSUPXMMREDT-OAHLLOKOSA-N 0 0 443.496 4.024 50 0 IIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC(c2ccccc2O)=NO1 ZINC000018210161 556686898 /nfs/dbraw/zinc/68/68/98/556686898.db2.gz RPRAFUBAJCKFLI-LJQANCHMSA-N 0 0 436.489 4.429 50 0 IIAARN Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1C ZINC000013534702 556687110 /nfs/dbraw/zinc/68/71/10/556687110.db2.gz BDPYOXQDLUTMRE-IBGZPJMESA-N 0 0 426.822 4.223 50 0 IIAARN Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc21 ZINC000022998198 556687828 /nfs/dbraw/zinc/68/78/28/556687828.db2.gz CUENFAGYDWMWHS-UHFFFAOYSA-N 0 0 438.578 4.193 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)ccn3n2)cc1 ZINC000046005100 556689383 /nfs/dbraw/zinc/68/93/83/556689383.db2.gz UWEFAWXJCACRIQ-UHFFFAOYSA-N 0 0 430.508 4.324 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1cccs1 ZINC000046141401 556692689 /nfs/dbraw/zinc/69/26/89/556692689.db2.gz ZMTSJNYACPHSSF-UHFFFAOYSA-N 0 0 435.527 4.453 50 0 IIAARN CCS(=O)(=O)c1nc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2s1 ZINC000072313711 556694089 /nfs/dbraw/zinc/69/40/89/556694089.db2.gz VUSKRSZFDPEPTL-UHFFFAOYSA-N 0 0 439.356 4.034 50 0 IIAARN COCc1nnc(C(=O)Nc2cccc(C(=O)N[C@H](c3cccs3)C(C)C)c2)s1 ZINC000033027586 556707222 /nfs/dbraw/zinc/70/72/22/556707222.db2.gz PIYWMJUKHSAZHU-KRWDZBQOSA-N 0 0 430.555 4.125 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H]2c2cccs2)Cc2ccco2)cc1 ZINC000033028502 556708907 /nfs/dbraw/zinc/70/89/07/556708907.db2.gz JBEZHQVXLRPFDS-HXUWFJFHSA-N 0 0 444.578 4.204 50 0 IIAARN O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 ZINC000052596035 556719723 /nfs/dbraw/zinc/71/97/23/556719723.db2.gz NZEOUANSMYJCNQ-PXNSSMCTSA-N 0 0 426.973 4.230 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2c[nH]nc2-c2cccc(Br)c2)CC1 ZINC000072328702 556726472 /nfs/dbraw/zinc/72/64/72/556726472.db2.gz NMOLOBPCAQUQTG-UHFFFAOYSA-N 0 0 425.330 4.110 50 0 IIAARN CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(CSc2ccc(F)cc2)cc1 ZINC000071289264 556727010 /nfs/dbraw/zinc/72/70/10/556727010.db2.gz SATGPCGEPXMSHF-FQEVSTJZSA-N 0 0 439.574 4.374 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(OC)c(F)c4)ccn3n2)cc1Cl ZINC000072329627 556727390 /nfs/dbraw/zinc/72/73/90/556727390.db2.gz GLSGVAKIAQPSHB-UHFFFAOYSA-N 0 0 427.863 4.411 50 0 IIAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C ZINC000011141190 556728344 /nfs/dbraw/zinc/72/83/44/556728344.db2.gz QVGZLYDPLUJQFP-NRFANRHFSA-N 0 0 427.932 4.168 50 0 IIAARN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)c1 ZINC000011142599 556728693 /nfs/dbraw/zinc/72/86/93/556728693.db2.gz ZYUCQPZMNBURAF-CQSZACIVSA-N 0 0 443.956 4.180 50 0 IIAARN COc1ccc(S[C@@H](C)C(=O)Nc2c(=O)n(-c3ccccc3)n(C)c2C(C)C)cc1 ZINC000078624043 556735141 /nfs/dbraw/zinc/73/51/41/556735141.db2.gz JSGDFJQCMMTCRS-INIZCTEOSA-N 0 0 425.554 4.427 50 0 IIAARN O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019316170 556735887 /nfs/dbraw/zinc/73/58/87/556735887.db2.gz SBISOGPNPWSTHJ-CQSZACIVSA-N 0 0 437.552 4.060 50 0 IIAARN CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccc(F)cc2)n1CCc1ccccc1 ZINC000055308734 556739861 /nfs/dbraw/zinc/73/98/61/556739861.db2.gz CUNDYARAGGEYFZ-UHFFFAOYSA-N 0 0 429.561 4.079 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccccc1C(F)(F)F ZINC000033048955 556746124 /nfs/dbraw/zinc/74/61/24/556746124.db2.gz SBIVGJZBLYKRSP-UHFFFAOYSA-N 0 0 437.421 4.399 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccccc3Cl)cc2)cc1 ZINC000013854978 556746589 /nfs/dbraw/zinc/74/65/89/556746589.db2.gz RYOXUWHLQJYDDQ-UHFFFAOYSA-N 0 0 435.911 4.061 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CN3c4ccccc4SC(C)(C)CC3=O)C[C@@H]2C)c1 ZINC000009847596 556748641 /nfs/dbraw/zinc/74/86/41/556748641.db2.gz GKKNILBELHBHNT-IBGZPJMESA-N 0 0 437.609 4.340 50 0 IIAARN CCn1c2ccccc2n(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1=O ZINC000057995262 556751684 /nfs/dbraw/zinc/75/16/84/556751684.db2.gz NRJOQSPRMHATTF-UHFFFAOYSA-N 0 0 444.322 4.013 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000058014278 556753390 /nfs/dbraw/zinc/75/33/90/556753390.db2.gz VJVHBXLKOFUNFD-HZPDHXFCSA-N 0 0 430.533 4.241 50 0 IIAARN Cc1cccc(-c2noc(CS(=O)(=O)Cc3ccc(F)c(Br)c3)n2)c1 ZINC000058101983 556758278 /nfs/dbraw/zinc/75/82/78/556758278.db2.gz VRTAUXNAHJPJGF-UHFFFAOYSA-N 0 0 425.279 4.062 50 0 IIAARN C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000061984086 556763206 /nfs/dbraw/zinc/76/32/06/556763206.db2.gz HRFUAHQCAKEWPY-OAHLLOKOSA-N 0 0 445.504 4.154 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nc3c(s1)CCC3)C(=O)OC2 ZINC000062001711 556764605 /nfs/dbraw/zinc/76/46/05/556764605.db2.gz ISRSPIVLHGFZSN-KPKJPENVSA-N 0 0 442.537 4.233 50 0 biogenic IIAARN O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccccc1Br ZINC000062007337 556765649 /nfs/dbraw/zinc/76/56/49/556765649.db2.gz ZJIYHBGGAMQGKV-UHFFFAOYSA-N 0 0 436.309 4.253 50 0 IIAARN O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccco3)c21 ZINC000058171269 556768328 /nfs/dbraw/zinc/76/83/28/556768328.db2.gz UBYKTDJVHBDIGJ-INIZCTEOSA-N 0 0 435.505 4.353 50 0 IIAARN Cn1c2ccccc2nc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000058203015 556771433 /nfs/dbraw/zinc/77/14/33/556771433.db2.gz BDIQBVLTDYVACY-FQEVSTJZSA-N 0 0 429.904 4.434 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)/C=C/c3cccc4ccccc34)C2)cc1 ZINC000058203013 556771511 /nfs/dbraw/zinc/77/15/11/556771511.db2.gz YBMIDABTZOWRES-RDOKFVIMSA-N 0 0 448.588 4.379 50 0 IIAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000058209938 556771969 /nfs/dbraw/zinc/77/19/69/556771969.db2.gz RPPVOBLTSRWUQY-DEOSSOPVSA-N 0 0 429.520 4.005 50 0 IIAARN CCOC(=O)C(=Cc1ccccc1F)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000058290029 556777771 /nfs/dbraw/zinc/77/77/71/556777771.db2.gz JHABHOOGZOUVLS-SFQUDFHCSA-N 0 0 438.484 4.049 50 0 IIAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)ccc1OC ZINC000058310092 556779569 /nfs/dbraw/zinc/77/95/69/556779569.db2.gz KGSGWOYWOCHKNK-HXUWFJFHSA-N 0 0 430.570 4.045 50 0 IIAARN CSc1nnc(CCCNC(=O)Nc2ccccc2-n2cccn2)n1C1CCCC1 ZINC000058356961 556782720 /nfs/dbraw/zinc/78/27/20/556782720.db2.gz SANVXTHBEXUKTP-UHFFFAOYSA-N 0 0 425.562 4.055 50 0 IIAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2coc(-c3ccccc3Cl)n2)C1=O ZINC000058367786 556783131 /nfs/dbraw/zinc/78/31/31/556783131.db2.gz IPJDUKHTIGZWIA-QFIPXVFZSA-N 0 0 425.872 4.361 50 0 IIAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000058369538 556783380 /nfs/dbraw/zinc/78/33/80/556783380.db2.gz CBUXNMOFGWCREE-UHFFFAOYSA-N 0 0 446.347 4.028 50 0 IIAARN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(-n2nccn2)cc1 ZINC000058424987 556787813 /nfs/dbraw/zinc/78/78/13/556787813.db2.gz QHMPYXPFNWIUCP-UHFFFAOYSA-N 0 0 440.326 4.335 50 0 IIAARN C[C@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058828740 556792183 /nfs/dbraw/zinc/79/21/83/556792183.db2.gz JBMUVXNFUQWZNR-LRDDRELGSA-N 0 0 443.297 4.116 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1 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IIAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 ZINC000020102255 556980563 /nfs/dbraw/zinc/98/05/63/556980563.db2.gz JSIQESDJMAHIRA-GOSISDBHSA-N 0 0 433.943 4.073 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1Cl ZINC000097096301 556984331 /nfs/dbraw/zinc/98/43/31/556984331.db2.gz LVDGIYFNLYXRJB-MRXNPFEDSA-N 0 0 442.928 4.289 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2ccc(F)cc2)cc1 ZINC000033269040 556987087 /nfs/dbraw/zinc/98/70/87/556987087.db2.gz IEEVQSPPENIQRK-UHFFFAOYSA-N 0 0 436.512 4.261 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2cccc(F)c2)cc1 ZINC000033269056 556987364 /nfs/dbraw/zinc/98/73/64/556987364.db2.gz FYGFARVHZGXGQN-UHFFFAOYSA-N 0 0 436.512 4.261 50 0 IIAARN Cc1ccc([C@H](c2nnnn2C(c2ccccc2)c2ccccc2)N2CCOCC2)s1 ZINC000020123747 556987423 /nfs/dbraw/zinc/98/74/23/556987423.db2.gz XFGSSDZOFSAZOL-HSZRJFAPSA-N 0 0 431.565 4.102 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)o2)cc1 ZINC000023074344 556995395 /nfs/dbraw/zinc/99/53/95/556995395.db2.gz SFDUGFIGJQTSDR-JOCHJYFZSA-N 0 0 436.483 4.092 50 0 IIAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)c2c1 ZINC000020213102 556999118 /nfs/dbraw/zinc/99/91/18/556999118.db2.gz DBMCNPPTQXKULO-UHFFFAOYSA-N 0 0 447.579 4.037 50 0 IIAARN COc1ccc(OC)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000020228996 557001721 /nfs/dbraw/zinc/00/17/21/557001721.db2.gz KXELQYIIPALFNA-UHFFFAOYSA-N 0 0 443.550 4.314 50 0 IIAARN Cc1cccc(N2CCN(CN3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)CC2)c1 ZINC000020311071 557007458 /nfs/dbraw/zinc/00/74/58/557007458.db2.gz KQFYLESGZPOISF-XSFVSMFZSA-N 0 0 427.957 4.464 50 0 IIAARN Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1C ZINC000023126152 557007944 /nfs/dbraw/zinc/00/79/44/557007944.db2.gz JBKBOVJOFBCETM-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN O=S(=O)(c1nnn2c1nc(NCc1ccccc1Cl)c1ccccc12)c1ccccc1 ZINC000020355913 557010017 /nfs/dbraw/zinc/01/00/17/557010017.db2.gz GFQSIUUYMNTIQJ-UHFFFAOYSA-N 0 0 449.923 4.376 50 0 IIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000097284651 557013218 /nfs/dbraw/zinc/01/32/18/557013218.db2.gz FOZGJILWTWZCTA-OALUTQOASA-N 0 0 447.318 4.095 50 0 IIAARN C[C@H]1CN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)C[C@H](C)O1 ZINC000020403566 557013384 /nfs/dbraw/zinc/01/33/84/557013384.db2.gz CXSCUVVCGGBIJB-GJZGRUSLSA-N 0 0 426.900 4.161 50 0 IIAARN Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O ZINC000020418402 557014798 /nfs/dbraw/zinc/01/47/98/557014798.db2.gz MDNBMRMPALPBTG-JOCHJYFZSA-N 0 0 441.409 4.066 50 0 IIAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)NCc1ccc(Cl)cc1 ZINC000045994558 557014799 /nfs/dbraw/zinc/01/47/99/557014799.db2.gz IOCZSONXURPANU-UHFFFAOYSA-N 0 0 445.906 4.305 50 0 IIAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1cccc(F)c1)C2 ZINC000045994562 557014905 /nfs/dbraw/zinc/01/49/05/557014905.db2.gz DSVDFUBPWYBHRN-UHFFFAOYSA-N 0 0 445.450 4.122 50 0 IIAARN Cn1c(CN2CCN(c3ccccc3NC(=O)c3ccccc3)CC2)nc2ccccc21 ZINC000020428268 557016078 /nfs/dbraw/zinc/01/60/78/557016078.db2.gz YGELGMGBHZHORM-UHFFFAOYSA-N 0 0 425.536 4.148 50 0 IIAARN COc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1OC ZINC000045990769 557016700 /nfs/dbraw/zinc/01/67/00/557016700.db2.gz ZKFAHLTYYQZTJB-UHFFFAOYSA-N 0 0 446.507 4.380 50 0 IIAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)NCCc3ccccc3)n2)cc1 ZINC000046012257 557018831 /nfs/dbraw/zinc/01/88/31/557018831.db2.gz RKCPAJNMHHNNJF-UHFFFAOYSA-N 0 0 429.476 4.150 50 0 biogenic IIAARN Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)cnc12 ZINC000010698116 557019134 /nfs/dbraw/zinc/01/91/34/557019134.db2.gz ZIKSQRRGLRYGKS-QFIPXVFZSA-N 0 0 436.515 4.135 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)n1 ZINC000023136656 557019186 /nfs/dbraw/zinc/01/91/86/557019186.db2.gz LPSZYOCACWZFTM-UHFFFAOYSA-N 0 0 436.946 4.283 50 0 IIAARN CCCNC(=O)Cn1nc2c(c1NC(=O)CC(c1ccccc1)c1ccccc1)CSC2 ZINC000023138778 557022005 /nfs/dbraw/zinc/02/20/05/557022005.db2.gz HPBCPKXPNHUVRF-UHFFFAOYSA-N 0 0 448.592 4.317 50 0 IIAARN COc1cc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCC3)cc(OC)c1OC ZINC000046023016 557023028 /nfs/dbraw/zinc/02/30/28/557023028.db2.gz WPBHZUZJTSDGGT-UHFFFAOYSA-N 0 0 445.523 4.282 50 0 IIAARN COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032280 557024654 /nfs/dbraw/zinc/02/46/54/557024654.db2.gz WSQFUXXEAYVWMV-UHFFFAOYSA-N 0 0 440.956 4.120 50 0 IIAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010751993 557024944 /nfs/dbraw/zinc/02/49/44/557024944.db2.gz GHEQCAQBXJCZCN-NSHDSACASA-N 0 0 441.987 4.051 50 0 IIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Cl)c1Cl ZINC000010766417 557025618 /nfs/dbraw/zinc/02/56/18/557025618.db2.gz MALMJVHRHGHQGO-UHFFFAOYSA-N 0 0 433.382 4.160 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(Br)c3)C2)c1 ZINC000046045763 557025796 /nfs/dbraw/zinc/02/57/96/557025796.db2.gz MMIKCGRNMICVBD-GOSISDBHSA-N 0 0 429.358 4.235 50 0 IIAARN O=C(NCCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000023149596 557029369 /nfs/dbraw/zinc/02/93/69/557029369.db2.gz ANFJEHQXJJKNNN-UHFFFAOYSA-N 0 0 438.952 4.016 50 0 IIAARN COc1cc(I)c(C(=O)Nc2cccc([C@@H](C)OC)c2)cc1OC ZINC000072087119 557029425 /nfs/dbraw/zinc/02/94/25/557029425.db2.gz FBWXSYNEWMSCES-LLVKDONJSA-N 0 0 441.265 4.268 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccccc1F ZINC000017177947 557030888 /nfs/dbraw/zinc/03/08/88/557030888.db2.gz FDTUVPUECLDHOQ-UHFFFAOYSA-N 0 0 429.864 4.044 50 0 IIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)c1 ZINC000046074839 557031464 /nfs/dbraw/zinc/03/14/64/557031464.db2.gz DOHGNHZQKPWKQV-GOSISDBHSA-N 0 0 448.548 4.052 50 0 IIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075614 557032467 /nfs/dbraw/zinc/03/24/67/557032467.db2.gz ZQKDTZYWHMFJJK-SFHVURJKSA-N 0 0 448.548 4.052 50 0 IIAARN C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)C1=O ZINC000022527723 557035743 /nfs/dbraw/zinc/03/57/43/557035743.db2.gz DGSLSOWHLUGUOK-RRYAICIFSA-N 0 0 438.527 4.214 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCCC1 ZINC000017200874 557040461 /nfs/dbraw/zinc/04/04/61/557040461.db2.gz ZNPPJUIRSWMGFA-UHFFFAOYSA-N 0 0 448.947 4.420 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1cccs1 ZINC000017243961 557044097 /nfs/dbraw/zinc/04/40/97/557044097.db2.gz DLKCYUAHNXKEDG-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 IIAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)c(C)c1 ZINC000033270803 557047768 /nfs/dbraw/zinc/04/77/68/557047768.db2.gz UEHOLHZPXTZYBV-UHFFFAOYSA-N 0 0 434.525 4.335 50 0 IIAARN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2c(c1)OCCCO2 ZINC000022925079 557048163 /nfs/dbraw/zinc/04/81/63/557048163.db2.gz UASDOACVFQPUOO-UHFFFAOYSA-N 0 0 440.543 4.418 50 0 IIAARN O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048261870 557049546 /nfs/dbraw/zinc/04/95/46/557049546.db2.gz NVWMVDJUOYFPFX-UHFFFAOYSA-N 0 0 425.430 4.463 50 0 IIAARN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000048262499 557049886 /nfs/dbraw/zinc/04/98/86/557049886.db2.gz SAXMCIKAEDXLJO-VXKWHMMOSA-N 0 0 441.503 4.270 50 0 IIAARN CCOc1cc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc(OCC)c1OCC ZINC000017307102 557051428 /nfs/dbraw/zinc/05/14/28/557051428.db2.gz PAEJWYRYMXYOSP-UHFFFAOYSA-N 0 0 432.542 4.045 50 0 IIAARN Cc1ccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 ZINC000033272953 557052810 /nfs/dbraw/zinc/05/28/10/557052810.db2.gz IOSHVFZTCGTECT-UHFFFAOYSA-N 0 0 438.528 4.187 50 0 IIAARN CCOc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033272900 557052956 /nfs/dbraw/zinc/05/29/56/557052956.db2.gz OHXOAYSOQVQEPH-UHFFFAOYSA-N 0 0 436.537 4.209 50 0 IIAARN CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000017307340 557053407 /nfs/dbraw/zinc/05/34/07/557053407.db2.gz OMHPSKCFBARTMG-UHFFFAOYSA-N 0 0 431.540 4.198 50 0 IIAARN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000022981522 557055848 /nfs/dbraw/zinc/05/58/48/557055848.db2.gz WYKDYNRGWOYESI-QGZVFWFLSA-N 0 0 441.520 4.016 50 0 IIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1coc(-c2cccs2)n1 ZINC000010880477 557057160 /nfs/dbraw/zinc/05/71/60/557057160.db2.gz SEJMQILLSXARNW-UHFFFAOYSA-N 0 0 431.926 4.317 50 0 IIAARN CCCCN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC000048309475 557059930 /nfs/dbraw/zinc/05/99/30/557059930.db2.gz FDGOUGNCMRTFEX-UHFFFAOYSA-N 0 0 425.554 4.067 50 0 IIAARN O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)COCc1ccccc1Cl ZINC000023082152 557063138 /nfs/dbraw/zinc/06/31/38/557063138.db2.gz MWRDLRMQFVNTLA-MRXNPFEDSA-N 0 0 426.925 4.356 50 0 IIAARN COc1cc(NC(=O)N[C@@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)cc(OC)c1 ZINC000032949042 557063408 /nfs/dbraw/zinc/06/34/08/557063408.db2.gz DVSIIRAXYXYCOT-IBGZPJMESA-N 0 0 434.492 4.408 50 0 IIAARN O=C(Nc1ccccc1F)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000032949173 557064547 /nfs/dbraw/zinc/06/45/47/557064547.db2.gz FWIHYRLRSMUDHO-UHFFFAOYSA-N 0 0 436.439 4.259 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O ZINC000023126633 557065447 /nfs/dbraw/zinc/06/54/47/557065447.db2.gz ITTZRRGWQSNMMQ-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000023126766 557065484 /nfs/dbraw/zinc/06/54/84/557065484.db2.gz RGPYFYPTIQPWQT-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000048325704 557066301 /nfs/dbraw/zinc/06/63/01/557066301.db2.gz APRBDWXWTWSXLE-UHFFFAOYSA-N 0 0 431.467 4.465 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1 ZINC000048333144 557068016 /nfs/dbraw/zinc/06/80/16/557068016.db2.gz VCJLXYAVRJWYNW-JOCHJYFZSA-N 0 0 431.517 4.439 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)NC(C1CC1)C1CC1 ZINC000048333085 557068044 /nfs/dbraw/zinc/06/80/44/557068044.db2.gz OCSJGRRHUAFANK-UHFFFAOYSA-N 0 0 432.524 4.369 50 0 IIAARN COc1ccc2oc(-c3csc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)n3)cc2c1 ZINC000010884006 557068196 /nfs/dbraw/zinc/06/81/96/557068196.db2.gz NFXRENZYNRQNNO-UHFFFAOYSA-N 0 0 442.518 4.150 50 0 IIAARN CCCOc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290942 557069183 /nfs/dbraw/zinc/06/91/83/557069183.db2.gz BJXYYRJJBHUKNQ-HNNXBMFYSA-N 0 0 440.887 4.285 50 0 IIAARN Cc1cccc(OC2CCN(Cc3c(C(=O)N(C)C)nc4ccc(Cl)cn43)CC2)c1 ZINC000023153503 557069897 /nfs/dbraw/zinc/06/98/97/557069897.db2.gz XHEQSPQETMUYOI-UHFFFAOYSA-N 0 0 426.948 4.041 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)c(C)c1 ZINC000033289714 557071282 /nfs/dbraw/zinc/07/12/82/557071282.db2.gz VHTYSQUVYNKRRL-GOSISDBHSA-N 0 0 434.496 4.032 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1 ZINC000033296674 557072541 /nfs/dbraw/zinc/07/25/41/557072541.db2.gz BJSRFZWLMZPDBB-UYAOXDASSA-N 0 0 433.552 4.272 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 ZINC000033296681 557072543 /nfs/dbraw/zinc/07/25/43/557072543.db2.gz XUTYEWOZNIWNEV-UHFFFAOYSA-N 0 0 448.523 4.206 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1 ZINC000033296673 557072560 /nfs/dbraw/zinc/07/25/60/557072560.db2.gz BJSRFZWLMZPDBB-ICSRJNTNSA-N 0 0 433.552 4.272 50 0 IIAARN COc1ccccc1S(=O)(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000048354570 557072646 /nfs/dbraw/zinc/07/26/46/557072646.db2.gz ZHQLGUJRIPLGPU-UHFFFAOYSA-N 0 0 431.533 4.258 50 0 IIAARN COc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1OC(C)C ZINC000048355361 557073942 /nfs/dbraw/zinc/07/39/42/557073942.db2.gz FLZNFRBKBKDQAV-FQEVSTJZSA-N 0 0 434.330 4.459 50 0 IIAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3C2)c1 ZINC000010885899 557074173 /nfs/dbraw/zinc/07/41/73/557074173.db2.gz AEDSXBAWKTUHSZ-UHFFFAOYSA-N 0 0 446.981 4.425 50 0 IIAARN CCc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)c1 ZINC000049001999 557081393 /nfs/dbraw/zinc/08/13/93/557081393.db2.gz DYVPSRJECZYNKA-UHFFFAOYSA-N 0 0 440.503 4.158 50 0 IIAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)OCC(=O)Nc1ccc(F)c(F)c1 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IIAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000024608678 557153906 /nfs/dbraw/zinc/15/39/06/557153906.db2.gz HLNRZVMUGZYEQR-UHFFFAOYSA-N 0 0 439.002 4.242 50 0 IIAARN CC(=O)N(c1nc(COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cs1)c1ccccc1F ZINC000010954319 557157539 /nfs/dbraw/zinc/15/75/39/557157539.db2.gz WRWGVCHFJCRCCH-RBZFPXEDSA-N 0 0 442.468 4.239 50 0 IIAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000095483127 557157597 /nfs/dbraw/zinc/15/75/97/557157597.db2.gz KTAZNXMOTFHTMF-QMUXLKCJSA-N 0 0 445.563 4.345 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)cc1 ZINC000016957137 557158870 /nfs/dbraw/zinc/15/88/70/557158870.db2.gz HIABATPAWSKMQE-NRFANRHFSA-N 0 0 434.492 4.346 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000024747053 557161409 /nfs/dbraw/zinc/16/14/09/557161409.db2.gz BVJGCFODXCARER-OAQYLSRUSA-N 0 0 444.457 4.061 50 0 IIAARN CSc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000095929284 557161676 /nfs/dbraw/zinc/16/16/76/557161676.db2.gz XOPHGMIOHAGMNE-QFIPXVFZSA-N 0 0 430.533 4.370 50 0 IIAARN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000095929326 557162004 /nfs/dbraw/zinc/16/20/04/557162004.db2.gz JTQYQKPBNHLQPO-OBVAKMOBSA-N 0 0 442.563 4.095 50 0 IIAARN C[C@@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000011542928 557162663 /nfs/dbraw/zinc/16/26/63/557162663.db2.gz WHAFIERJCNINCM-SNVBAGLBSA-N 0 0 427.361 4.034 50 0 IIAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1I ZINC000024756231 557163291 /nfs/dbraw/zinc/16/32/91/557163291.db2.gz XHDBOZQIYINDBG-UHFFFAOYSA-N 0 0 446.244 4.496 50 0 IIAARN CCOC(=O)C1=C(CNC(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000024762076 557164609 /nfs/dbraw/zinc/16/46/09/557164609.db2.gz ODJFWHNUOCECSB-QHCPKHFHSA-N 0 0 447.560 4.298 50 0 IIAARN O=C(COc1ccccc1-c1ccccc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000024774834 557166697 /nfs/dbraw/zinc/16/66/97/557166697.db2.gz ACNAGYWZGRCDCJ-UHFFFAOYSA-N 0 0 428.532 4.287 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000003154899 557166720 /nfs/dbraw/zinc/16/67/20/557166720.db2.gz XNRJMKREQWDQBA-FGEXJBCWSA-N 0 0 427.887 4.480 50 0 IIAARN CCOC(=O)c1c(NC(C)=O)sc2c1c(Br)cc(Br)c2[O-] ZINC000000754379 557168862 /nfs/dbraw/zinc/16/88/62/557168862.db2.gz KNWNKJAGMRHATC-UHFFFAOYSA-N 0 0 437.109 4.267 50 0 IIAARN Cc1cccc(Cc2cnc(NC(=O)Cn3nc(C)c4ccccc4c3=O)s2)c1Cl ZINC000024836611 557172299 /nfs/dbraw/zinc/17/22/99/557172299.db2.gz KYFYSRYQSLCOSY-UHFFFAOYSA-N 0 0 438.940 4.353 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000024841157 557173293 /nfs/dbraw/zinc/17/32/93/557173293.db2.gz FZWJSKOQNUAUQP-ZDUSSCGKSA-N 0 0 441.728 4.358 50 0 IIAARN O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccc2c(c1)OCC(=O)N2 ZINC000024843251 557173870 /nfs/dbraw/zinc/17/38/70/557173870.db2.gz HKWLFRBLJFXKMY-UHFFFAOYSA-N 0 0 444.310 4.080 50 0 IIAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)CC2=O)c1C ZINC000024917782 557178774 /nfs/dbraw/zinc/17/87/74/557178774.db2.gz UPAAECRNAOXZOA-KRWDZBQOSA-N 0 0 434.521 4.004 50 0 IIAARN O=C(Nc1ccccc1O)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000024927901 557180376 /nfs/dbraw/zinc/18/03/76/557180376.db2.gz OOLMEAQIPRHYEH-UHFFFAOYSA-N 0 0 446.429 4.312 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nc(C(F)(F)F)nc3ccccc31)OCO2 ZINC000024967572 557183159 /nfs/dbraw/zinc/18/31/59/557183159.db2.gz DYVBLQRHFTWWDG-UHFFFAOYSA-N 0 0 449.410 4.311 50 0 IIAARN COCCn1cnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000024968016 557183485 /nfs/dbraw/zinc/18/34/85/557183485.db2.gz FEKWLBGZSWMNQR-UHFFFAOYSA-N 0 0 432.958 4.500 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000024969658 557183789 /nfs/dbraw/zinc/18/37/89/557183789.db2.gz DUFYXMGOIBVGMH-LLVKDONJSA-N 0 0 437.721 4.401 50 0 IIAARN COc1ccc(N(C(C)=O)c2nc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cs2)cc1 ZINC000097987514 557183908 /nfs/dbraw/zinc/18/39/08/557183908.db2.gz KQSSBBKZYKFWIL-UDWIEESQSA-N 0 0 433.489 4.489 50 0 IIAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c(C)c1 ZINC000024977724 557184866 /nfs/dbraw/zinc/18/48/66/557184866.db2.gz UCWKOBYLNZAOFG-INIZCTEOSA-N 0 0 438.553 4.423 50 0 IIAARN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 ZINC000009355137 557187875 /nfs/dbraw/zinc/18/78/75/557187875.db2.gz IBOCSXKHXDKQQK-UHFFFAOYSA-N 0 0 442.972 4.355 50 0 IIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2CC)cc1 ZINC000100821164 557188291 /nfs/dbraw/zinc/18/82/91/557188291.db2.gz UYYZRAMKGXSVBZ-XTQSDGFTSA-N 0 0 449.573 4.024 50 0 IIAARN COc1cccc(N(C(C)=O)c2nc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cs2)c1 ZINC000098000622 557188917 /nfs/dbraw/zinc/18/89/17/557188917.db2.gz UPRXNCQASYUVQX-RGVLZGJSSA-N 0 0 433.489 4.489 50 0 IIAARN Cc1ccccc1-c1noc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000025058586 557192959 /nfs/dbraw/zinc/19/29/59/557192959.db2.gz YYELOLFEWGCKTM-IMBGCFGXSA-N 0 0 449.551 4.296 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000025072904 557194588 /nfs/dbraw/zinc/19/45/88/557194588.db2.gz DMMXUKRCRNNNMU-INIZCTEOSA-N 0 0 447.461 4.249 50 0 IIAARN Nc1nc(CSCc2ccc(C(=O)N3CCCC3)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000025090549 557195256 /nfs/dbraw/zinc/19/52/56/557195256.db2.gz MBPPLZSFYCZJGO-UHFFFAOYSA-N 0 0 438.532 4.006 50 0 IIAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(N(CC)CC)cc1)n2CCOC ZINC000100873244 557196112 /nfs/dbraw/zinc/19/61/12/557196112.db2.gz OMFXZHJQORXWKH-VHXPQNKSSA-N 0 0 427.570 4.335 50 0 IIAARN O=C(Nc1cccc(Cn2ccnc2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000025182613 557199123 /nfs/dbraw/zinc/19/91/23/557199123.db2.gz DNXSSOCVWBEZII-UHFFFAOYSA-N 0 0 443.956 4.310 50 0 IIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000100908136 557199689 /nfs/dbraw/zinc/19/96/89/557199689.db2.gz IEYWWZLWWQMSLM-KRWDZBQOSA-N 0 0 440.290 4.294 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)C(C)(C)OC(C)=O)CC2 ZINC000023306689 557199862 /nfs/dbraw/zinc/19/98/62/557199862.db2.gz FNVTWKQHCNBRGQ-NRFANRHFSA-N 0 0 431.916 4.173 50 0 IIAARN O=C(OC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21)c1ccccc1 ZINC000169367977 557201689 /nfs/dbraw/zinc/20/16/89/557201689.db2.gz NUFDHWUEKBIADG-QBRBXANFSA-N 0 0 444.524 4.089 50 0 IIAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000025289886 557202817 /nfs/dbraw/zinc/20/28/17/557202817.db2.gz SYRIEEQHANSFNF-UHFFFAOYSA-N 0 0 431.414 4.127 50 0 IIAARN O=C(CCc1nc(-c2cccs2)no1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025339428 557204913 /nfs/dbraw/zinc/20/49/13/557204913.db2.gz XDTYIAUDOUGQNZ-UHFFFAOYSA-N 0 0 445.854 4.026 50 0 IIAARN Cc1ccc(S(=O)(=O)c2ccc(-n3cc(C(=O)c4cc(C)ccc4O)cn3)cc2)cc1 ZINC000025393005 557207524 /nfs/dbraw/zinc/20/75/24/557207524.db2.gz FOLMNISTGIIESU-UHFFFAOYSA-N 0 0 432.501 4.259 50 0 IIAARN COC(=O)[C@@H]1Cc2ccccc2CN1Cn1nc(Nc2ccccc2F)sc1=S ZINC000025426828 557209390 /nfs/dbraw/zinc/20/93/90/557209390.db2.gz GSLAAIOROBFKGW-KRWDZBQOSA-N 0 0 430.530 4.114 50 0 IIAARN COc1ccc(CCCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)c(C)c1 ZINC000013497484 557210441 /nfs/dbraw/zinc/21/04/41/557210441.db2.gz KEOWVMYIOMVAIP-UHFFFAOYSA-N 0 0 435.553 4.249 50 0 IIAARN CCOc1ccc(CN2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)cc1 ZINC000097259304 557214677 /nfs/dbraw/zinc/21/46/77/557214677.db2.gz ZMNCFUGXZWTEJY-QFIPXVFZSA-N 0 0 437.609 4.278 50 0 IIAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000025606620 557218631 /nfs/dbraw/zinc/21/86/31/557218631.db2.gz YGLHNWDACSUYPY-UHFFFAOYSA-N 0 0 447.564 4.116 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000025609542 557219443 /nfs/dbraw/zinc/21/94/43/557219443.db2.gz SOTFMOQHFCULRR-UHFFFAOYSA-N 0 0 425.579 4.016 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)s3)o2)cc1 ZINC000011650088 557219478 /nfs/dbraw/zinc/21/94/78/557219478.db2.gz LQWNGIQTGLGVNH-UHFFFAOYSA-N 0 0 425.329 4.468 50 0 IIAARN Cc1cc(CSc2ncccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)no1 ZINC000025622213 557219902 /nfs/dbraw/zinc/21/99/02/557219902.db2.gz IOWUGVWWFGIUIV-UHFFFAOYSA-N 0 0 436.537 4.161 50 0 IIAARN CCOc1ccc(C(=O)CN2C(=O)N[C@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000025637672 557220113 /nfs/dbraw/zinc/22/01/13/557220113.db2.gz KOCAOYQVJMGPEF-HHHXNRCGSA-N 0 0 442.515 4.380 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032949377 557220627 /nfs/dbraw/zinc/22/06/27/557220627.db2.gz VLCNSXDWSRIXQV-KRWDZBQOSA-N 0 0 430.423 4.026 50 0 IIAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000025668749 557221014 /nfs/dbraw/zinc/22/10/14/557221014.db2.gz VQTSVSPHRPZPRJ-UHFFFAOYSA-N 0 0 443.912 4.396 50 0 IIAARN O=c1ccc2cc(S(=O)(=O)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)ccc2o1 ZINC000025672142 557221267 /nfs/dbraw/zinc/22/12/67/557221267.db2.gz SVBSCAUWFFRXOS-NRFANRHFSA-N 0 0 444.512 4.385 50 0 IIAARN C[C@@H](SCc1cc(Cl)c2c(c1)OCCO2)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000025689992 557222039 /nfs/dbraw/zinc/22/20/39/557222039.db2.gz LBHCMNPFSKCBQL-CYBMUJFWSA-N 0 0 446.956 4.497 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)no1 ZINC000025725346 557223621 /nfs/dbraw/zinc/22/36/21/557223621.db2.gz YXZJDMVQFHGMNN-HNNXBMFYSA-N 0 0 438.509 4.243 50 0 IIAARN COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000024385703 557224976 /nfs/dbraw/zinc/22/49/76/557224976.db2.gz ISIDKKLTNQNOAS-UHFFFAOYSA-N 0 0 441.728 4.208 50 0 IIAARN O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025812930 557227427 /nfs/dbraw/zinc/22/74/27/557227427.db2.gz ZQZJDJCFVQAUOB-LJQANCHMSA-N 0 0 445.566 4.096 50 0 IIAARN Cc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1NC(=O)c1ccco1 ZINC000011286608 557227692 /nfs/dbraw/zinc/22/76/92/557227692.db2.gz KYBMFNOQXRGSGB-UHFFFAOYSA-N 0 0 436.508 4.082 50 0 IIAARN O=C(CSCc1nc2ccccc2s1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000025820720 557227787 /nfs/dbraw/zinc/22/77/87/557227787.db2.gz NDUHXRXIJIEWRQ-UHFFFAOYSA-N 0 0 439.606 4.085 50 0 IIAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000011322949 557228487 /nfs/dbraw/zinc/22/84/87/557228487.db2.gz KICDZHPRADDRRA-UHFFFAOYSA-N 0 0 435.430 4.227 50 0 IIAARN COc1ccc(NC(=O)c2cc3c(n(-c4ccc(OC)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000000809727 557228960 /nfs/dbraw/zinc/22/89/60/557228960.db2.gz XWSFEAKCTLPOBF-UHFFFAOYSA-N 0 0 446.503 4.262 50 0 IIAARN NS(=O)(=O)c1ccc(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000011413696 557229014 /nfs/dbraw/zinc/22/90/14/557229014.db2.gz AUNSBIQMCDOCDF-UHFFFAOYSA-N 0 0 449.557 4.055 50 0 IIAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccc(Cl)cn1 ZINC000025893885 557229302 /nfs/dbraw/zinc/22/93/02/557229302.db2.gz YHXXRSHKEFPOAR-NSHDSACASA-N 0 0 438.340 4.215 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000011612523 557230084 /nfs/dbraw/zinc/23/00/84/557230084.db2.gz JPWALPUSQHMSCQ-QGZVFWFLSA-N 0 0 437.359 4.021 50 0 IIAARN COc1ccc2nc(C)c(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2c1 ZINC000025920830 557230373 /nfs/dbraw/zinc/23/03/73/557230373.db2.gz FOPZRUYGLFKGHN-UHFFFAOYSA-N 0 0 446.503 4.058 50 0 IIAARN CC(C)n1ncc2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cnc21 ZINC000025989027 557231660 /nfs/dbraw/zinc/23/16/60/557231660.db2.gz AAMNSUBNSKWEEE-UHFFFAOYSA-N 0 0 427.508 4.237 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)n1Cc1ccccc1Cl ZINC000026011487 557232206 /nfs/dbraw/zinc/23/22/06/557232206.db2.gz NAIULSPAAMCZAC-UHFFFAOYSA-N 0 0 427.884 4.416 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)OCc3ccc(C(=O)N4CCCC4)cc3)c(=O)oc2c1 ZINC000026088839 557233951 /nfs/dbraw/zinc/23/39/51/557233951.db2.gz NQPRDFVWWHLZME-UHFFFAOYSA-N 0 0 449.503 4.022 50 0 IIAARN COc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)cc1 ZINC000100053474 557238789 /nfs/dbraw/zinc/23/87/89/557238789.db2.gz OBHCONKBQVNJFK-ZNTNEXAZSA-N 0 0 429.973 4.443 50 0 IIAARN Cc1cc(CSc2ncccc2C(=O)OCC(=O)Nc2ccccc2OC(F)F)no1 ZINC000026583330 557245512 /nfs/dbraw/zinc/24/55/12/557245512.db2.gz XJTWKRFZNFHJAQ-UHFFFAOYSA-N 0 0 449.435 4.067 50 0 IIAARN COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3c2-c2ccc(OC)cc2)cc1 ZINC000026688290 557246769 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0 IIAARN COc1ccc(N(C(=O)COc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000027019752 557254897 /nfs/dbraw/zinc/25/48/97/557254897.db2.gz MAMMVUOOINAAEL-UHFFFAOYSA-N 0 0 445.924 4.458 50 0 IIAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000027021644 557255258 /nfs/dbraw/zinc/25/52/58/557255258.db2.gz DKJWXCUZSIWFSY-VWEQIBBSSA-N 0 0 437.524 4.448 50 0 IIAARN Cc1cc(C)cc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000100278483 557256306 /nfs/dbraw/zinc/25/63/06/557256306.db2.gz CLMKFOPJRYIBKI-QGZVFWFLSA-N 0 0 447.354 4.070 50 0 IIAARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1cccc2ccccc21 ZINC000100353750 557258680 /nfs/dbraw/zinc/25/86/80/557258680.db2.gz JAPZSVDDRVUXPS-DHIUTWEWSA-N 0 0 439.467 4.335 50 0 IIAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1OC ZINC000101148776 557262477 /nfs/dbraw/zinc/26/24/77/557262477.db2.gz OLZRSSHGJOSZME-HSZRJFAPSA-N 0 0 441.487 4.420 50 0 IIAARN COCCOc1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000024955878 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557399890 /nfs/dbraw/zinc/39/98/90/557399890.db2.gz QCXDGXONTDRXFL-MCADVSAISA-N 0 0 426.601 4.062 50 0 IIAARN COC(=O)c1ccc([C@@H]2CC(c3c(F)cccc3F)=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102894208 557406019 /nfs/dbraw/zinc/40/60/19/557406019.db2.gz STCTVHCTSDMOQN-HNNXBMFYSA-N 0 0 436.340 4.418 50 0 IIAARN COc1cc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc(OC)c1OC ZINC000004943712 557413010 /nfs/dbraw/zinc/41/30/10/557413010.db2.gz YLDFHAGHYDYFFD-UHFFFAOYSA-N 0 0 425.485 4.203 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000103462107 557437659 /nfs/dbraw/zinc/43/76/59/557437659.db2.gz SZHVEPUVIXHIHU-RYFAJOAYSA-N 0 0 434.561 4.315 50 0 IIAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024565303 557447281 /nfs/dbraw/zinc/44/72/81/557447281.db2.gz MIFZOQXTUYWZKL-LBPRGKRZSA-N 0 0 441.896 4.184 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c12 ZINC000014814617 557458286 /nfs/dbraw/zinc/45/82/86/557458286.db2.gz 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CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(I)cc1 ZINC000047157751 557518214 /nfs/dbraw/zinc/51/82/14/557518214.db2.gz AGHYFEZZSVPKPB-UHFFFAOYSA-N 0 0 433.249 4.463 50 0 IIAARN Cc1cccc(C)c1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000020237608 557519014 /nfs/dbraw/zinc/51/90/14/557519014.db2.gz WDZYCMNFYHPFJX-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000106179654 557521511 /nfs/dbraw/zinc/52/15/11/557521511.db2.gz PDNHLPUBXKDLRW-COXVUDFISA-N 0 0 445.972 4.221 50 0 IIAARN CSc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000012039668 557525090 /nfs/dbraw/zinc/52/50/90/557525090.db2.gz QJUQWJCUHDNHED-UHFFFAOYSA-N 0 0 442.518 4.190 50 0 IIAARN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000107075131 557534591 /nfs/dbraw/zinc/53/45/91/557534591.db2.gz ACYLIDPODNCMBJ-YTQUADARSA-N 0 0 431.363 4.304 50 0 IIAARN CCOCCOC(=O)c1nc2ccccc2nc1Nc1cc(Cl)c(OC)cc1OC ZINC000045901272 557546721 /nfs/dbraw/zinc/54/67/21/557546721.db2.gz XFJPNNZFDFJCDF-UHFFFAOYSA-N 0 0 431.876 4.237 50 0 IIAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NCCCc4ccco4)CC3)nn2)cc1 ZINC000045921405 557547585 /nfs/dbraw/zinc/54/75/85/557547585.db2.gz SHWCNTAVXLBANG-UHFFFAOYSA-N 0 0 436.581 4.495 50 0 IIAARN COc1cccc(Sc2ccc(N3CCC(C(=O)NCc4cccs4)CC3)nn2)c1 ZINC000045921730 557547620 /nfs/dbraw/zinc/54/76/20/557547620.db2.gz GMMJAWQLKHSLKG-UHFFFAOYSA-N 0 0 440.594 4.231 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)NCc5cccs5)n4ccn3n2)cc1C ZINC000045971574 557555493 /nfs/dbraw/zinc/55/54/93/557555493.db2.gz OAUGGZHEOARENV-UHFFFAOYSA-N 0 0 448.577 4.131 50 0 IIAARN CC(C)(CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2)N1CCOCC1 ZINC000040056995 557687001 /nfs/dbraw/zinc/68/70/01/557687001.db2.gz GZWOAUOJSFRANV-VLGSPTGOSA-N 0 0 431.536 4.155 50 0 IIAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040284133 557710907 /nfs/dbraw/zinc/71/09/07/557710907.db2.gz KMMDHNKBYBKIIV-DNQXCXABSA-N 0 0 439.471 4.446 50 0 IIAARN C[S@](=O)Cc1ccc(Cl)c(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000225394025 557718064 /nfs/dbraw/zinc/71/80/64/557718064.db2.gz BMMMMJRIXZHZLX-SANMLTNESA-N 0 0 441.880 4.059 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@H](c2ccco2)C1 ZINC000225516097 557733738 /nfs/dbraw/zinc/73/37/38/557733738.db2.gz YACPJNLTQWOMEU-IBGZPJMESA-N 0 0 443.912 4.296 50 0 IIAARN C[C@@](O)(CNC(=O)c1occc1COc1ccccc1)c1ccccc1Br ZINC000225623236 557753533 /nfs/dbraw/zinc/75/35/33/557753533.db2.gz ZZVZRRSEMWWDRH-OAQYLSRUSA-N 0 0 430.298 4.259 50 0 IIAARN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc([C@H](c2ccccc2)N(C)C)n1 ZINC000225631385 557754610 /nfs/dbraw/zinc/75/46/10/557754610.db2.gz SIYCBEFRTULGTL-PMACEKPBSA-N 0 0 438.528 4.343 50 0 IIAARN Cc1cccc(OCCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1 ZINC000225738392 557770972 /nfs/dbraw/zinc/77/09/72/557770972.db2.gz HUGDMSKWILVWSP-QFIPXVFZSA-N 0 0 439.556 4.370 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000024992983 557830413 /nfs/dbraw/zinc/83/04/13/557830413.db2.gz LMNQSROZOBPZRL-OAQYLSRUSA-N 0 0 444.553 4.060 50 0 IIAARN COc1ccccc1NC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1 ZINC000000854909 557831236 /nfs/dbraw/zinc/83/12/36/557831236.db2.gz OIINBRKHKZVPGG-HKWRFOASSA-N 0 0 432.476 4.122 50 0 IIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1 ZINC000000865300 557839101 /nfs/dbraw/zinc/83/91/01/557839101.db2.gz GOQKUVBMOQOSBM-IEBWSBKVSA-N 0 0 430.430 4.482 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccncc2)cc1 ZINC000000872665 557843134 /nfs/dbraw/zinc/84/31/34/557843134.db2.gz HIVBBGJUISJDAZ-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000241326099 557846212 /nfs/dbraw/zinc/84/62/12/557846212.db2.gz LZGKMXZREOJRAX-QHCPKHFHSA-N 0 0 428.517 4.478 50 0 IIAARN COC(=O)c1ccc2c(c1)c1c(n2CC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 ZINC000242554606 557847971 /nfs/dbraw/zinc/84/79/71/557847971.db2.gz MOGNIPWCFZSMNX-UHFFFAOYSA-N 0 0 444.528 4.063 50 0 IIAARN c1ccc(-n2c(COc3cccc4ccccc43)nnc2SCCN2CCOCC2)cc1 ZINC000000876587 557848132 /nfs/dbraw/zinc/84/81/32/557848132.db2.gz PYQMMTCNRHIXDX-UHFFFAOYSA-N 0 0 446.576 4.424 50 0 IIAARN CCOC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 ZINC000000877749 557848404 /nfs/dbraw/zinc/84/84/04/557848404.db2.gz LCGAGSXEPNNQBO-UHFFFAOYSA-N 0 0 434.561 4.448 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCN(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000034696653 557849166 /nfs/dbraw/zinc/84/91/66/557849166.db2.gz BVZUOBYCWFFFOM-JOCHJYFZSA-N 0 0 446.503 4.274 50 0 IIAARN COc1cc(C(NC(=O)c2ccco2)NC(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000000904487 562919542 /nfs/dbraw/zinc/91/95/42/562919542.db2.gz KQVFSOIMEAMMLP-UHFFFAOYSA-N 0 0 446.459 4.319 50 0 IIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000002230869 562926473 /nfs/dbraw/zinc/92/64/73/562926473.db2.gz AKYDQDXYQCVVJR-LJQANCHMSA-N 0 0 436.445 4.215 50 0 IIAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NCCOCCO)n1 ZINC000002454138 562927800 /nfs/dbraw/zinc/92/78/00/562927800.db2.gz GKZXTQKXPBQGQS-UHFFFAOYSA-N 0 0 442.566 4.131 50 0 aggregator IIAARN COc1ccccc1CNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948306 562931030 /nfs/dbraw/zinc/93/10/30/562931030.db2.gz DRYYFDPKELQQFE-UHFFFAOYSA-N 0 0 432.549 4.221 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1F ZINC000003022952 562931773 /nfs/dbraw/zinc/93/17/73/562931773.db2.gz NXNJPUUBFOYOHC-UHFFFAOYSA-N 0 0 442.487 4.273 50 0 aggregator IIAARN Cc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000003056382 562932359 /nfs/dbraw/zinc/93/23/59/562932359.db2.gz IWTDDHUQKFHIKS-UHFFFAOYSA-N 0 0 431.941 4.329 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1nnc(N)s1 ZINC000003309290 562933992 /nfs/dbraw/zinc/93/39/92/562933992.db2.gz PKXIAJTXTNKASF-SNVBAGLBSA-N 0 0 434.568 4.145 50 0 IIAARN COc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)noc1C ZINC000003324851 562934204 /nfs/dbraw/zinc/93/42/04/562934204.db2.gz PADBLJTVQFDPQW-UHFFFAOYSA-N 0 0 442.468 4.157 50 0 IIAARN COc1ccc(CN(C)C(=O)COC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000003420169 562935554 /nfs/dbraw/zinc/93/55/54/562935554.db2.gz DDQBKXIPHRMPRZ-UHFFFAOYSA-N 0 0 428.872 4.127 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CCCCC3)n2N)cs1 ZINC000003442840 562935876 /nfs/dbraw/zinc/93/58/76/562935876.db2.gz SFUJUZUCUIPIHN-UHFFFAOYSA-N 0 0 442.614 4.278 50 0 IIAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCc2ccccc2C1 ZINC000003454641 562936085 /nfs/dbraw/zinc/93/60/85/562936085.db2.gz SNIOYYCTFVOMTJ-UHFFFAOYSA-N 0 0 441.984 4.383 50 0 aggregator IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CCCCC2)ccc1OC ZINC000003477267 562936196 /nfs/dbraw/zinc/93/61/96/562936196.db2.gz NOFQDFHKAYPLFT-UHFFFAOYSA-N 0 0 444.597 4.216 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000003643656 562937211 /nfs/dbraw/zinc/93/72/11/562937211.db2.gz OYYVCXWUCYZTTN-LJQANCHMSA-N 0 0 449.488 4.110 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657681 562937522 /nfs/dbraw/zinc/93/75/22/562937522.db2.gz JZOJUYZGUJQXHA-DNQXCXABSA-N 0 0 446.503 4.262 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 ZINC000005827251 562944972 /nfs/dbraw/zinc/94/49/72/562944972.db2.gz DGCVUYKEYGESFU-RXVVDRJESA-N 0 0 425.554 4.345 50 0 IIAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccc(F)cc1 ZINC000006577084 562947394 /nfs/dbraw/zinc/94/73/94/562947394.db2.gz PSZNKASVWDZDJM-UHFFFAOYSA-N 0 0 439.491 4.206 50 0 IIAARN CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1 ZINC000006578020 562948024 /nfs/dbraw/zinc/94/80/24/562948024.db2.gz BOYLLMVGTLPOBD-UHFFFAOYSA-N 0 0 446.960 4.306 50 0 aggregator IIAARN CCOC(=O)c1c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000006599775 562948120 /nfs/dbraw/zinc/94/81/20/562948120.db2.gz LUVINOPLWTUFRM-OAHLLOKOSA-N 0 0 427.781 4.294 50 0 IIAARN Cc1nnc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n(-c3cccc(C)c3)c(N)c1-2 ZINC000008583589 562949802 /nfs/dbraw/zinc/94/98/02/562949802.db2.gz UEHAQKVCBUNDGY-UHFFFAOYSA-N 0 0 432.553 4.193 50 0 IIAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)NCc1ccc(F)cc1 ZINC000008589637 562951256 /nfs/dbraw/zinc/95/12/56/562951256.db2.gz KQHHHGAPYNOLMU-UHFFFAOYSA-N 0 0 439.556 4.201 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1Cl ZINC000008591673 562952077 /nfs/dbraw/zinc/95/20/77/562952077.db2.gz LSFGOMAMAPUJLC-GOSISDBHSA-N 0 0 434.970 4.238 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCc1ccccc1 ZINC000008592597 562952440 /nfs/dbraw/zinc/95/24/40/562952440.db2.gz OZOPAEYGJDAAIF-UHFFFAOYSA-N 0 0 431.923 4.466 50 0 IIAARN CCCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000008592953 562952469 /nfs/dbraw/zinc/95/24/69/562952469.db2.gz MBFWLYLAHLZMFK-UHFFFAOYSA-N 0 0 426.538 4.462 50 0 IIAARN CCOc1ccc(NC(=O)[C@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000008593797 562952851 /nfs/dbraw/zinc/95/28/51/562952851.db2.gz ZNSTTXYLUKAHMW-NRFANRHFSA-N 0 0 445.523 4.188 50 0 IIAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(Cl)c3)c(C)o2)c1 ZINC000008597901 562954118 /nfs/dbraw/zinc/95/41/18/562954118.db2.gz FCBDJBJFJOGMDH-UHFFFAOYSA-N 0 0 448.928 4.174 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)N[C@H](C)c1ccccc1)C(=O)CS2 ZINC000008605892 562956859 /nfs/dbraw/zinc/95/68/59/562956859.db2.gz CZVOSDYSJKVYAD-QGZVFWFLSA-N 0 0 434.565 4.277 50 0 IIAARN COc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000008608882 562957539 /nfs/dbraw/zinc/95/75/39/562957539.db2.gz QHQUHFKNGARRNS-NRFANRHFSA-N 0 0 447.553 4.078 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)s1 ZINC000008610455 562958174 /nfs/dbraw/zinc/95/81/74/562958174.db2.gz RVQZGKWNOKRIPS-UHFFFAOYSA-N 0 0 429.977 4.132 50 0 IIAARN Cc1ccc2occ(CC(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611970 562958824 /nfs/dbraw/zinc/95/88/24/562958824.db2.gz PNECTQUOEFGXDY-SFHVURJKSA-N 0 0 431.941 4.153 50 0 IIAARN Cc1ccc2c(CC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)coc2c1 ZINC000008611988 562958832 /nfs/dbraw/zinc/95/88/32/562958832.db2.gz HLWORFIYQKIFRV-IBGZPJMESA-N 0 0 431.941 4.153 50 0 IIAARN CC[C@H](C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000008613891 562959446 /nfs/dbraw/zinc/95/94/46/562959446.db2.gz GPZYEZDJMQMIIG-JOCHJYFZSA-N 0 0 447.535 4.396 50 0 IIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)Nc1cc(C)ccc1C)c2=O ZINC000008619531 562959866 /nfs/dbraw/zinc/95/98/66/562959866.db2.gz WPGAMZFTTWCTEG-UHFFFAOYSA-N 0 0 435.915 4.108 50 0 IIAARN COc1ccc2c(C)cc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2c1 ZINC000008666187 562960460 /nfs/dbraw/zinc/96/04/60/562960460.db2.gz JSDWRWQJSAYAPG-UHFFFAOYSA-N 0 0 448.548 4.080 50 0 IIAARN Cc1c(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)c(=O)n(-c2ccccc2)n1C ZINC000008666786 562960602 /nfs/dbraw/zinc/96/06/02/562960602.db2.gz KNIWGWSUNFXXNZ-QGZVFWFLSA-N 0 0 432.549 4.460 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)ns2)cc1 ZINC000008673345 562961166 /nfs/dbraw/zinc/96/11/66/562961166.db2.gz STYVBTFVYBDMPE-UHFFFAOYSA-N 0 0 434.525 4.479 50 0 aggregator IIAARN Cc1cccc(-n2c(SCC(N)=O)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 ZINC000008691757 562963508 /nfs/dbraw/zinc/96/35/08/562963508.db2.gz TVJXNXIVSNAUPT-UHFFFAOYSA-N 0 0 431.561 4.153 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000008692833 562963679 /nfs/dbraw/zinc/96/36/79/562963679.db2.gz BBECHTZOSJYMLD-UHFFFAOYSA-N 0 0 436.599 4.073 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000008830025 562964728 /nfs/dbraw/zinc/96/47/28/562964728.db2.gz OJCXSGPDWPJTMT-UHFFFAOYSA-N 0 0 446.315 4.359 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2cccs2)c1 ZINC000009126942 562967507 /nfs/dbraw/zinc/96/75/07/562967507.db2.gz KACKVGRHVSFBBC-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)c1ccccc1 ZINC000009382128 562969695 /nfs/dbraw/zinc/96/96/95/562969695.db2.gz OQMNPDNYDPFXOH-JOCHJYFZSA-N 0 0 449.532 4.058 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccccc1F ZINC000009391230 562969809 /nfs/dbraw/zinc/96/98/09/562969809.db2.gz VQVBEIPHWDCEHY-JOCHJYFZSA-N 0 0 439.512 4.389 50 0 biogenic IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccccc1F ZINC000009391231 562969840 /nfs/dbraw/zinc/96/98/40/562969840.db2.gz VQVBEIPHWDCEHY-QFIPXVFZSA-N 0 0 439.512 4.389 50 0 biogenic IIAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1cc(OC)ccc1OC ZINC000009407532 562970205 /nfs/dbraw/zinc/97/02/05/562970205.db2.gz PLZSBDOQHVACKD-UHFFFAOYSA-N 0 0 443.546 4.386 50 0 IIAARN O=C(CCCCCNC(=O)N1CCn2c3ccccc3nc21)NCc1ccc(Cl)cc1 ZINC000009410829 562970352 /nfs/dbraw/zinc/97/03/52/562970352.db2.gz KJZTWLBIXNEZBC-UHFFFAOYSA-N 0 0 439.947 4.096 50 0 IIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCN2CCCCC2=O)n1 ZINC000011662131 562978959 /nfs/dbraw/zinc/97/89/59/562978959.db2.gz NEZOOKMOTRSRMM-SANMLTNESA-N 0 0 430.552 4.138 50 0 IIAARN Cc1cc(CNC(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C2CC2)on1 ZINC000012049232 562980635 /nfs/dbraw/zinc/98/06/35/562980635.db2.gz VEUPETVXTQHEHW-UHFFFAOYSA-N 0 0 434.525 4.111 50 0 IIAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000015944382 563020253 /nfs/dbraw/zinc/02/02/53/563020253.db2.gz KYNYGAVYVOZZDX-INZIPBBXSA-N 0 0 440.565 4.045 50 0 IIAARN Cc1cccc(NCc2nc(SCC(=O)Nc3ccccc3Br)n[nH]2)c1 ZINC000015990277 563020647 /nfs/dbraw/zinc/02/06/47/563020647.db2.gz JEYZJPNAQSKQNS-UHFFFAOYSA-N 0 0 432.347 4.219 50 0 IIAARN COc1ccc([C@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440820 563024843 /nfs/dbraw/zinc/02/48/43/563024843.db2.gz VARZVSBFQFXSMO-BDYUSTAISA-N 0 0 433.548 4.056 50 0 IIAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000019939375 568613329 /nfs/dbraw/zinc/61/33/29/568613329.db2.gz LBKUOERPKQKMCJ-QFIPXVFZSA-N 0 0 429.442 4.215 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000033297972 568626229 /nfs/dbraw/zinc/62/62/29/568626229.db2.gz DZWVAAJTDCYSQR-FLIBITNWSA-N 0 0 445.566 4.084 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3C(N)=O)[C@H](c3ccco3)C2)cc1 ZINC000019042663 568634593 /nfs/dbraw/zinc/63/45/93/568634593.db2.gz WYORFXZYBZLDNU-IBGZPJMESA-N 0 0 437.883 4.097 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)cc1 ZINC000000902984 568636275 /nfs/dbraw/zinc/63/62/75/568636275.db2.gz QVIJOYYHTUGNKM-UHFFFAOYSA-N 0 0 433.537 4.497 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000000929261 568637864 /nfs/dbraw/zinc/63/78/64/568637864.db2.gz QSHQGGOBXNFVPQ-UHFFFAOYSA-N 0 0 443.576 4.389 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000933502 568638094 /nfs/dbraw/zinc/63/80/94/568638094.db2.gz WACNVNBSZHWQLZ-GOSISDBHSA-N 0 0 445.544 4.460 50 0 IIAARN NC(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccccc1 ZINC000000937459 568638927 /nfs/dbraw/zinc/63/89/27/568638927.db2.gz ZZYXEOMILDPLCM-UHFFFAOYSA-N 0 0 427.938 4.345 50 0 IIAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl ZINC000000938926 568639122 /nfs/dbraw/zinc/63/91/22/568639122.db2.gz ZPOWYYHSQLCKSC-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000000951477 568645358 /nfs/dbraw/zinc/64/53/58/568645358.db2.gz KKANGDYCPZAVNZ-HXUWFJFHSA-N 0 0 441.512 4.451 50 0 IIAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OC)cc1)c2=O ZINC000000978165 568648471 /nfs/dbraw/zinc/64/84/71/568648471.db2.gz PBMSTXMPUJBKED-AWEZNQCLSA-N 0 0 426.421 4.011 50 0 biogenic IIAARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000000979827 568648514 /nfs/dbraw/zinc/64/85/14/568648514.db2.gz PEGIRFMXKVZJSR-GPILYODUSA-N 0 0 427.906 4.125 50 0 IIAARN Cc1cccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC000001003253 568650992 /nfs/dbraw/zinc/65/09/92/568650992.db2.gz JREBPDFAOXFDBB-UHFFFAOYSA-N 0 0 429.343 4.129 50 0 IIAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1Br ZINC000001056609 568653871 /nfs/dbraw/zinc/65/38/71/568653871.db2.gz WSVKDVSVEMOVJB-KRWDZBQOSA-N 0 0 428.373 4.202 50 0 IIAARN CCc1nc2sc3c(c2c(Oc2cc(C(=O)OC)cc(C(=O)OC)c2)n1)CCCC3 ZINC000001098294 568658895 /nfs/dbraw/zinc/65/88/95/568658895.db2.gz YYJZYPHUBROAFV-UHFFFAOYSA-N 0 0 426.494 4.498 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000025484471 568659841 /nfs/dbraw/zinc/65/98/41/568659841.db2.gz VWBPMLGNQUQVEU-UHFFFAOYSA-N 0 0 435.427 4.462 50 0 IIAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000015225605 568734086 /nfs/dbraw/zinc/73/40/86/568734086.db2.gz ZXDLJIVAHILJQZ-GASCZTMLSA-N 0 0 434.533 4.169 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000031613949 568741259 /nfs/dbraw/zinc/74/12/59/568741259.db2.gz CSVJRGARCCYUGI-UHFFFAOYSA-N 0 0 430.533 4.382 50 0 IIAARN CCCCNC(=O)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000001827632 568741650 /nfs/dbraw/zinc/74/16/50/568741650.db2.gz CWXMNHWZHRIONB-UHFFFAOYSA-N 0 0 425.535 4.105 50 0 IIAARN O=C(Nc1cccc(O)c1)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000001954051 568742415 /nfs/dbraw/zinc/74/24/15/568742415.db2.gz IGQRRVYXGHBKAA-UHFFFAOYSA-N 0 0 439.899 4.208 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 ZINC000003227145 568743273 /nfs/dbraw/zinc/74/32/73/568743273.db2.gz CDNGIJYGXFCFSB-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN O=C(COC(=O)Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000003235665 568743292 /nfs/dbraw/zinc/74/32/92/568743292.db2.gz XPEGVOBSGUCJRA-UHFFFAOYSA-N 0 0 438.321 4.441 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c(Br)c1 ZINC000003274703 568744802 /nfs/dbraw/zinc/74/48/02/568744802.db2.gz NNNNSYYBOLSVPN-UHFFFAOYSA-N 0 0 432.347 4.081 50 0 IIAARN CCSc1ccccc1C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 ZINC000044001519 568745491 /nfs/dbraw/zinc/74/54/91/568745491.db2.gz YLLAOZMQELLUCK-UHFFFAOYSA-N 0 0 429.611 4.198 50 0 IIAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2ccccc2C1 ZINC000003316388 568745820 /nfs/dbraw/zinc/74/58/20/568745820.db2.gz QOGXMMRQRYALQS-UHFFFAOYSA-N 0 0 431.332 4.466 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccco1 ZINC000003324920 568746007 /nfs/dbraw/zinc/74/60/07/568746007.db2.gz WWMDBTWXDVRBHM-UHFFFAOYSA-N 0 0 439.924 4.100 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000003344506 568746772 /nfs/dbraw/zinc/74/67/72/568746772.db2.gz ADOIVNODXKXCBO-UHFFFAOYSA-N 0 0 433.434 4.304 50 0 IIAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003353442 568746881 /nfs/dbraw/zinc/74/68/81/568746881.db2.gz XYQVDYRHHJQEDY-AWEZNQCLSA-N 0 0 434.477 4.375 50 0 IIAARN C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003409363 568748492 /nfs/dbraw/zinc/74/84/92/568748492.db2.gz PFNXYKOFHCSACF-MRXNPFEDSA-N 0 0 439.489 4.066 50 0 IIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1C ZINC000003406965 568748707 /nfs/dbraw/zinc/74/87/07/568748707.db2.gz GDQDMTNIBMZXML-UHFFFAOYSA-N 0 0 447.520 4.367 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c(O)c1 ZINC000003444045 568749636 /nfs/dbraw/zinc/74/96/36/568749636.db2.gz RXEIYVFANLQKGB-UHFFFAOYSA-N 0 0 442.924 4.358 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCc1ccccc1Cl ZINC000003506021 568750303 /nfs/dbraw/zinc/75/03/03/568750303.db2.gz ARWROAHZNCDXEG-UHFFFAOYSA-N 0 0 435.940 4.391 50 0 IIAARN Cc1cc(NC(=O)C2CCN(Cc3nc4ccccc4[nH]3)CC2)ccc1Br ZINC000044443310 568752377 /nfs/dbraw/zinc/75/23/77/568752377.db2.gz LZISMXPUBSLWDV-UHFFFAOYSA-N 0 0 427.346 4.485 50 0 IIAARN CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC ZINC000003667695 568753915 /nfs/dbraw/zinc/75/39/15/568753915.db2.gz UUJWHTKBKDJSOG-GDNBJRDFSA-N 0 0 439.375 4.247 50 0 IIAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCCC[C@H]1c1cccnc1 ZINC000299777386 568757006 /nfs/dbraw/zinc/75/70/06/568757006.db2.gz DNPAPCDGSXFBRT-URXFXBBRSA-N 0 0 425.960 4.460 50 0 IIAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000015356184 568759722 /nfs/dbraw/zinc/75/97/22/568759722.db2.gz YAHWRRSIHBEARG-UHFFFAOYSA-N 0 0 431.514 4.362 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N[C@H]1CCCc2c3cc(OC)ccc3[nH]c21 ZINC000263587994 568760778 /nfs/dbraw/zinc/76/07/78/568760778.db2.gz NURMBFUHIOWEFK-QFIPXVFZSA-N 0 0 447.535 4.350 50 0 IIAARN Cc1nc2cc(NC(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000263587718 568760783 /nfs/dbraw/zinc/76/07/83/568760783.db2.gz KMNKKNFXPITHIU-NRFANRHFSA-N 0 0 447.539 4.438 50 0 IIAARN COC(=O)c1cn(C[C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000263588244 568760928 /nfs/dbraw/zinc/76/09/28/568760928.db2.gz QTTIBODKTBVUSA-GOSISDBHSA-N 0 0 426.476 4.085 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)C[C@H](C(C)C)OC3 ZINC000001248580 568774828 /nfs/dbraw/zinc/77/48/28/568774828.db2.gz IHNUVVLGVKNGMW-OAHLLOKOSA-N 0 0 428.583 4.410 50 0 IIAARN COc1ccc(Br)cc1[C@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2ncnn21 ZINC000001291751 568778576 /nfs/dbraw/zinc/77/85/76/568778576.db2.gz RLJWEFDDTOMQPQ-SFHVURJKSA-N 0 0 447.333 4.214 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000001306466 568779180 /nfs/dbraw/zinc/77/91/80/568779180.db2.gz CZANBGUVNHXQPT-MRXNPFEDSA-N 0 0 444.578 4.118 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c32)C1 ZINC000001321017 568780068 /nfs/dbraw/zinc/78/00/68/568780068.db2.gz NKZDAPASSSSLIY-LBPRGKRZSA-N 0 0 430.961 4.296 50 0 IIAARN Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000004163674 568783041 /nfs/dbraw/zinc/78/30/41/568783041.db2.gz BQEQKRBQTPJYCA-KRWDZBQOSA-N 0 0 427.220 4.259 50 0 IIAARN CCOC(=O)[C@@H](C)Sc1ncc(OC)c(Sc2ccc(Br)cc2)n1 ZINC000001388564 568784778 /nfs/dbraw/zinc/78/47/78/568784778.db2.gz PEMFJVLPFRCYFN-SNVBAGLBSA-N 0 0 429.361 4.443 50 0 IIAARN CCOCCCNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 ZINC000046016507 568785024 /nfs/dbraw/zinc/78/50/24/568785024.db2.gz SZAGZVQTCCNQFQ-UHFFFAOYSA-N 0 0 444.535 4.318 50 0 IIAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1C(=O)OC ZINC000001392120 568785340 /nfs/dbraw/zinc/78/53/40/568785340.db2.gz FWWZRYBSBJSOPA-UHFFFAOYSA-N 0 0 447.369 4.313 50 0 IIAARN CCOC(=O)COc1cc(-n2nnnc2-c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000001392335 568785353 /nfs/dbraw/zinc/78/53/53/568785353.db2.gz MLFHENHJMONAGY-UHFFFAOYSA-N 0 0 427.675 4.231 50 0 IIAARN O=C(Nc1cccc(-c2cn3cc(I)ccc3n2)c1)c1ccco1 ZINC000001393535 568785370 /nfs/dbraw/zinc/78/53/70/568785370.db2.gz GLSMBOPPXHJRRP-UHFFFAOYSA-N 0 0 429.217 4.451 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000001401361 568786309 /nfs/dbraw/zinc/78/63/09/568786309.db2.gz HHKCJTFEUQXATN-OAHLLOKOSA-N 0 0 432.851 4.151 50 0 IIAARN CS(=O)(=O)CCCCSc1nnc(Cc2cccs2)n1CCc1ccccc1 ZINC000083984604 568787853 /nfs/dbraw/zinc/78/78/53/568787853.db2.gz SJWHFQAFHJSNDC-UHFFFAOYSA-N 0 0 435.640 4.090 50 0 IIAARN O=c1/c(=C/c2ccccc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000001412660 568789646 /nfs/dbraw/zinc/78/96/46/568789646.db2.gz FJBULQUYGRYXAI-FQWPPLDYSA-N 0 0 426.566 4.380 50 0 IIAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000084005112 568789759 /nfs/dbraw/zinc/78/97/59/568789759.db2.gz IGLMJNRXYBAGAB-HSZRJFAPSA-N 0 0 444.922 4.242 50 0 IIAARN Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cs2)cc1 ZINC000004675253 568790751 /nfs/dbraw/zinc/79/07/51/568790751.db2.gz ARZLGGTZNYCDPH-QGZVFWFLSA-N 0 0 426.586 4.306 50 0 IIAARN CCc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c1 ZINC000016649591 568790972 /nfs/dbraw/zinc/79/09/72/568790972.db2.gz KGRISRBZRFOLRO-UHFFFAOYSA-N 0 0 432.524 4.014 50 0 IIAARN Cc1nnc(CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C(C)(C)C)o1 ZINC000084291465 568796672 /nfs/dbraw/zinc/79/66/72/568796672.db2.gz BENLNQIYEZNWSI-MRXNPFEDSA-N 0 0 427.530 4.011 50 0 IIAARN O=C(Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1)N[C@H]1CCC(=O)NC1 ZINC000084421775 568797986 /nfs/dbraw/zinc/79/79/86/568797986.db2.gz QQKNQZQBXVZBNG-AWEZNQCLSA-N 0 0 445.342 4.126 50 0 IIAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000084594734 568799003 /nfs/dbraw/zinc/79/90/03/568799003.db2.gz ZUYYDQOJUBKAGI-UHFFFAOYSA-N 0 0 440.286 4.297 50 0 IIAARN CC[C@H](SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1 ZINC000084718753 568800476 /nfs/dbraw/zinc/80/04/76/568800476.db2.gz CONQNDWKACCTIH-HNNXBMFYSA-N 0 0 427.320 4.167 50 0 IIAARN CC(=O)N[C@H]1CCCN(C(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)C1 ZINC000084753002 568800784 /nfs/dbraw/zinc/80/07/84/568800784.db2.gz XPHLHMCUIGSTFT-HNNXBMFYSA-N 0 0 445.350 4.137 50 0 IIAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1 ZINC000015670284 568802106 /nfs/dbraw/zinc/80/21/06/568802106.db2.gz LGHJROYOMXGTCL-IBGZPJMESA-N 0 0 440.507 4.296 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)c1 ZINC000015671322 568803064 /nfs/dbraw/zinc/80/30/64/568803064.db2.gz UEGSEHOTLZOSRV-UHFFFAOYSA-N 0 0 425.558 4.321 50 0 IIAARN COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672840 568803425 /nfs/dbraw/zinc/80/34/25/568803425.db2.gz DWEJOEMYMADPFW-QHCPKHFHSA-N 0 0 431.602 4.183 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675543 568804120 /nfs/dbraw/zinc/80/41/20/568804120.db2.gz YIDHXEGMSPIEOJ-RUZDIDTESA-N 0 0 443.588 4.493 50 0 IIAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679408 568805125 /nfs/dbraw/zinc/80/51/25/568805125.db2.gz ROAMMSWHLRXSPB-UHFFFAOYSA-N 0 0 445.350 4.220 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015681500 568806605 /nfs/dbraw/zinc/80/66/05/568806605.db2.gz SNWZJWMZFVANKB-UHFFFAOYSA-N 0 0 439.563 4.238 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681485 568806672 /nfs/dbraw/zinc/80/66/72/568806672.db2.gz IARZBNZZTITWLW-UHFFFAOYSA-N 0 0 444.535 4.270 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NC[C@H](C)c1ccccc1)C(=O)CS2 ZINC000015735115 568816771 /nfs/dbraw/zinc/81/67/71/568816771.db2.gz FOMNYQMWNFGWJL-SFHVURJKSA-N 0 0 448.592 4.320 50 0 IIAARN COc1cc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000001455378 568819152 /nfs/dbraw/zinc/81/91/52/568819152.db2.gz IMPHUJKWTHQSKD-XMMPIXPASA-N 0 0 446.503 4.205 50 0 IIAARN Brc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779130 568824788 /nfs/dbraw/zinc/82/47/88/568824788.db2.gz SLYHNRTZIRSKAZ-UHFFFAOYSA-N 0 0 439.313 4.270 50 0 IIAARN CCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780897 568825211 /nfs/dbraw/zinc/82/52/11/568825211.db2.gz JLPNXEAZCASFRT-OAQYLSRUSA-N 0 0 445.562 4.100 50 0 IIAARN COc1cc(C)c(C)cc1S(=O)(=O)NCCc1sc(-c2cccc(F)c2)nc1C ZINC000015783823 568826544 /nfs/dbraw/zinc/82/65/44/568826544.db2.gz UILOUKJONRWZGZ-UHFFFAOYSA-N 0 0 434.558 4.404 50 0 IIAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21 ZINC000015783428 568826749 /nfs/dbraw/zinc/82/67/49/568826749.db2.gz SZZVKJOZWKIXSG-SFHVURJKSA-N 0 0 436.537 4.072 50 0 IIAARN Cc1[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598159 568827681 /nfs/dbraw/zinc/82/76/81/568827681.db2.gz HHYGKCNJSXKYLB-UHFFFAOYSA-N 0 0 443.491 4.467 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c1 ZINC000085649136 568830787 /nfs/dbraw/zinc/83/07/87/568830787.db2.gz SBKQCVYXCJIQMH-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3cccc(I)c3)ccc12 ZINC000001500901 568832257 /nfs/dbraw/zinc/83/22/57/568832257.db2.gz RLWJCIQUXUOMQD-VMPITWQZSA-N 0 0 432.213 4.325 50 0 IIAARN CC[C@@H](C)N1C(=S)SC(C)(C)[C@@H]1n1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000001508203 568835426 /nfs/dbraw/zinc/83/54/26/568835426.db2.gz JYEWEVRTFZNQLO-RNCFNFMXSA-N 0 0 448.397 4.308 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Br)cc2)N2C(=O)CCSC2=N1 ZINC000002486143 568838376 /nfs/dbraw/zinc/83/83/76/568838376.db2.gz LFHYSYJSKNOHFR-KRWDZBQOSA-N 0 0 437.359 4.299 50 0 IIAARN Cc1c(CCNS(=O)(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000015823503 568840251 /nfs/dbraw/zinc/84/02/51/568840251.db2.gz OCARWBSIGNWVIG-UHFFFAOYSA-N 0 0 446.985 4.249 50 0 IIAARN COCO[C@@H]1[C@H]2CC[C@@](O)(C(=O)CCC(C)(C)[C@@H]1OCOCc1ccccc1)C2(C)C ZINC000039013349 568842919 /nfs/dbraw/zinc/84/29/19/568842919.db2.gz HNGHGRSDAYHEDS-PTGPVQHPSA-N 0 0 434.573 4.091 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2oc(SCc3cn4c(cccc4C)n3)nc2c1 ZINC000006135065 568845007 /nfs/dbraw/zinc/84/50/07/568845007.db2.gz LEECZQNJCUNNDD-UHFFFAOYSA-N 0 0 430.555 4.107 50 0 IIAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858414 568846588 /nfs/dbraw/zinc/84/65/88/568846588.db2.gz APNAGLSVNXPAAL-CYBMUJFWSA-N 0 0 434.945 4.030 50 0 IIAARN O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006166740 568849318 /nfs/dbraw/zinc/84/93/18/568849318.db2.gz KWHMBBIZPCRZFW-UHFFFAOYSA-N 0 0 442.850 4.043 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1)N1CCCCc2ccccc21 ZINC000015864516 568850136 /nfs/dbraw/zinc/85/01/36/568850136.db2.gz SDAZIPGDIXXIMB-UHFFFAOYSA-N 0 0 435.524 4.041 50 0 biogenic IIAARN O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000015865587 568850563 /nfs/dbraw/zinc/85/05/63/568850563.db2.gz CFTLTDZZFIKWHQ-OAQYLSRUSA-N 0 0 426.925 4.094 50 0 IIAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)nn1 ZINC000015880803 568854283 /nfs/dbraw/zinc/85/42/83/568854283.db2.gz YTGGJWYKMIEQFL-UHFFFAOYSA-N 0 0 443.528 4.318 50 0 IIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882366 568856469 /nfs/dbraw/zinc/85/64/69/568856469.db2.gz CQGIBEVSKDSVJD-UHFFFAOYSA-N 0 0 427.430 4.201 50 0 IIAARN Cc1c(CCNC(=O)COc2ccccc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882134 568856525 /nfs/dbraw/zinc/85/65/25/568856525.db2.gz SWKNQOLFWRCRRS-UHFFFAOYSA-N 0 0 426.929 4.157 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000015995892 568862074 /nfs/dbraw/zinc/86/20/74/568862074.db2.gz HJIQIUFLVAJQBQ-UHFFFAOYSA-N 0 0 432.448 4.365 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000016007665 568862646 /nfs/dbraw/zinc/86/26/46/568862646.db2.gz XYTFUQNKVPUKNP-SWLSCSKDSA-N 0 0 443.953 4.309 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000016042590 568868290 /nfs/dbraw/zinc/86/82/90/568868290.db2.gz APLBFUCQJIMXLC-DJJJIMSYSA-N 0 0 429.513 4.435 50 0 IIAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 ZINC000016047493 568868872 /nfs/dbraw/zinc/86/88/72/568868872.db2.gz WJRXWFVVFPDTBR-UHFFFAOYSA-N 0 0 430.873 4.350 50 0 IIAARN CSCC[C@@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nnc2ccccn21 ZINC000575443272 568868964 /nfs/dbraw/zinc/86/89/64/568868964.db2.gz IFSOZDDERJNFHD-QZTJIDSGSA-N 0 0 425.583 4.182 50 0 IIAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(Cl)ccn2)c2ccccc21 ZINC000575443583 568869560 /nfs/dbraw/zinc/86/95/60/568869560.db2.gz UXCOPHUVCSTLPZ-QGZVFWFLSA-N 0 0 428.920 4.301 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@H](C)Nc1ncnc3sc(C)c(C)c31)O[C@@H](C)C2 ZINC000012940910 568869702 /nfs/dbraw/zinc/86/97/02/568869702.db2.gz WZIIXMVJUZHXBA-JSGCOSHPSA-N 0 0 440.569 4.147 50 0 IIAARN COc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000012941686 568869909 /nfs/dbraw/zinc/86/99/09/568869909.db2.gz JXDXSFOLIXLTFM-UHFFFAOYSA-N 0 0 437.352 4.208 50 0 IIAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000012944908 568870689 /nfs/dbraw/zinc/87/06/89/568870689.db2.gz PLFZLZTVEIESFC-UHFFFAOYSA-N 0 0 437.927 4.305 50 0 IIAARN Cn1c(=O)n(CC(=O)c2ccc(C3CCCCC3)cc2)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000012949323 568871720 /nfs/dbraw/zinc/87/17/20/568871720.db2.gz GAHUWJNUASKRJH-UHFFFAOYSA-N 0 0 445.441 4.045 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cc1ccccc1)c1cccc(Cl)c1 ZINC000012949660 568871756 /nfs/dbraw/zinc/87/17/56/568871756.db2.gz VHKKBCXOPXNERJ-UHFFFAOYSA-N 0 0 428.941 4.336 50 0 IIAARN COc1ccccc1CNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000016227309 568873489 /nfs/dbraw/zinc/87/34/89/568873489.db2.gz QFTXBHJGZHWEGO-UHFFFAOYSA-N 0 0 431.414 4.016 50 0 IIAARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccccc1OC(F)(F)F ZINC000575605462 568878029 /nfs/dbraw/zinc/87/80/29/568878029.db2.gz ATIRAMJHAXBJLM-UHFFFAOYSA-N 0 0 441.369 4.268 50 0 IIAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccsc2)n1 ZINC000575613673 568879750 /nfs/dbraw/zinc/87/97/50/568879750.db2.gz JVVFFZNSOCEROP-SFHVURJKSA-N 0 0 443.516 4.289 50 0 IIAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000575613549 568879792 /nfs/dbraw/zinc/87/97/92/568879792.db2.gz SYABRLNLLOAKCT-MHZLTWQESA-N 0 0 429.516 4.355 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575617402 568881835 /nfs/dbraw/zinc/88/18/35/568881835.db2.gz PAPYHNPSQDQSOL-OAQYLSRUSA-N 0 0 439.558 4.374 50 0 IIAARN CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000006725160 568888444 /nfs/dbraw/zinc/88/84/44/568888444.db2.gz BKQOMLNHFFIYML-VXKWHMMOSA-N 0 0 428.504 4.012 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)c(Cl)c(C)nc1-c1ccccc1 ZINC000090610156 568891831 /nfs/dbraw/zinc/89/18/31/568891831.db2.gz XJJJAEOSTWMEDS-UHFFFAOYSA-N 0 0 432.307 4.481 50 0 IIAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000008789880 568892192 /nfs/dbraw/zinc/89/21/92/568892192.db2.gz XHWDMVJCCDHQOJ-UVNDLFDISA-N 0 0 435.520 4.332 50 0 biogenic IIAARN O=S1(=O)c2ccccc2C(c2ccccc2)=NN1Cc1cccc(Br)c1 ZINC000090610249 568892282 /nfs/dbraw/zinc/89/22/82/568892282.db2.gz SNNSUEGTMGHXOX-UHFFFAOYSA-N 0 0 427.323 4.406 50 0 IIAARN CN(C)C(=O)[C@H]1CCCN1c1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000012986143 568895753 /nfs/dbraw/zinc/89/57/53/568895753.db2.gz IIPCXOZZCGIMAW-OAHLLOKOSA-N 0 0 431.359 4.178 50 0 IIAARN CCCn1c(=O)c2c3c(sc2nc1SCC(=O)N1CCc2ccccc2C1)CCC3 ZINC000013000020 568898111 /nfs/dbraw/zinc/89/81/11/568898111.db2.gz SUBQFXMVVPFREP-UHFFFAOYSA-N 0 0 439.606 4.034 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000012999338 568898204 /nfs/dbraw/zinc/89/82/04/568898204.db2.gz SRGKAMGDQFSWCQ-UHFFFAOYSA-N 0 0 443.906 4.205 50 0 IIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(Cc3ccc(C(F)(F)F)cc3)s1)CS2 ZINC000013001248 568898943 /nfs/dbraw/zinc/89/89/43/568898943.db2.gz QKIDOUJZTQEGAN-RDTXWAMCSA-N 0 0 441.500 4.145 50 0 IIAARN Clc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)no2)cc1 ZINC000013010134 568899755 /nfs/dbraw/zinc/89/97/55/568899755.db2.gz AGUKMENHYSJMFS-MRXNPFEDSA-N 0 0 446.964 4.053 50 0 IIAARN CCC[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013011237 568900124 /nfs/dbraw/zinc/90/01/24/568900124.db2.gz KHEVNEYDQYBGSF-YCRPNKLZSA-N 0 0 447.988 4.016 50 0 IIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000013018640 568901790 /nfs/dbraw/zinc/90/17/90/568901790.db2.gz RLSWZKNMAMHOIX-UHFFFAOYSA-N 0 0 433.892 4.225 50 0 IIAARN Cc1nc(COc2ccccc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1 ZINC000013017814 568901881 /nfs/dbraw/zinc/90/18/81/568901881.db2.gz OZUXYXSKWQPBKA-UHFFFAOYSA-N 0 0 434.521 4.081 50 0 IIAARN Cc1cccn2cc(CSc3nc4cc(Cl)ccc4c(=O)n3C[C@H]3CCCO3)nc12 ZINC000013031200 568904375 /nfs/dbraw/zinc/90/43/75/568904375.db2.gz YPAYJUOGNWWURN-QGZVFWFLSA-N 0 0 440.956 4.477 50 0 IIAARN COc1ccccc1NC(=O)c1cc(Br)ccc1I ZINC000013942613 568905191 /nfs/dbraw/zinc/90/51/91/568905191.db2.gz LAHGYGZBQZBWMS-UHFFFAOYSA-N 0 0 432.055 4.315 50 0 IIAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1OC)CCC3 ZINC000001785795 568907662 /nfs/dbraw/zinc/90/76/62/568907662.db2.gz CDJWCIVFDNDALG-UHFFFAOYSA-N 0 0 426.567 4.484 50 0 IIAARN CC[C@H](C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cc2C1=O ZINC000001790955 568908035 /nfs/dbraw/zinc/90/80/35/568908035.db2.gz NSAVMLMGBWICCZ-NSHDSACASA-N 0 0 449.290 4.183 50 0 IIAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000137472171 568909173 /nfs/dbraw/zinc/90/91/73/568909173.db2.gz UNADECRQZGYGGY-KMDXXIMOSA-N 0 0 444.487 4.014 50 0 IIAARN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000238901052 568910272 /nfs/dbraw/zinc/91/02/72/568910272.db2.gz KRACMKLVGWFJGO-YHBQERECSA-N 0 0 444.579 4.079 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000239347323 568911270 /nfs/dbraw/zinc/91/12/70/568911270.db2.gz MSOIFKSYWYSVLK-WXFUMESZSA-N 0 0 444.487 4.145 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c1 ZINC000245311006 568914551 /nfs/dbraw/zinc/91/45/51/568914551.db2.gz LETHRQGOKYTXCQ-DFCKQENNSA-N 0 0 438.568 4.319 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 ZINC000247952100 568918870 /nfs/dbraw/zinc/91/88/70/568918870.db2.gz TYHWLDHUYDJYAF-CZYKHXBRSA-N 0 0 444.874 4.331 50 0 IIAARN Cc1nc(-c2ccccc2)nc(N2CCCN(C(=O)C3CC3)CC2)c1Cc1ccccc1 ZINC000006469895 568919656 /nfs/dbraw/zinc/91/96/56/568919656.db2.gz MHQGRHWYJHWIBK-UHFFFAOYSA-N 0 0 426.564 4.492 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1sc2ncccc2c1N ZINC000064370098 568920071 /nfs/dbraw/zinc/92/00/71/568920071.db2.gz BEYGEKZNYKZNAY-UHFFFAOYSA-N 0 0 428.518 4.027 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000089365605 568921486 /nfs/dbraw/zinc/92/14/86/568921486.db2.gz RHDREEJPBXMFSN-UHFFFAOYSA-N 0 0 431.897 4.393 50 0 IIAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3cccs3)no2)cc1 ZINC000026926826 568926811 /nfs/dbraw/zinc/92/68/11/568926811.db2.gz XNERUSNFMWIPNI-UHFFFAOYSA-N 0 0 434.521 4.486 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000008789879 568927152 /nfs/dbraw/zinc/92/71/52/568927152.db2.gz XHWDMVJCCDHQOJ-OJCPAHCPSA-N 0 0 435.520 4.332 50 0 IIAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000008877834 568927310 /nfs/dbraw/zinc/92/73/10/568927310.db2.gz UAEUBFKKYOEIJK-JOCHJYFZSA-N 0 0 438.325 4.311 50 0 biogenic IIAARN CC(C)C(=O)N1CCc2c3ccccc3[nH]c2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000009935688 568927469 /nfs/dbraw/zinc/92/74/69/568927469.db2.gz NZGODMLBLAMADL-JOCHJYFZSA-N 0 0 438.325 4.167 50 0 biogenic IIAARN COc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1OCc1ccccc1Cl ZINC000016637903 568927570 /nfs/dbraw/zinc/92/75/70/568927570.db2.gz NEUPQBJDTJKWDV-UHFFFAOYSA-N 0 0 437.927 4.285 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc(OC)c1 ZINC000064452329 568929221 /nfs/dbraw/zinc/92/92/21/568929221.db2.gz SHVVBEMBJOXTJO-GOSISDBHSA-N 0 0 448.523 4.450 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473188 568930426 /nfs/dbraw/zinc/93/04/26/568930426.db2.gz MCVLHDHXLOMBNH-UHFFFAOYSA-N 0 0 443.507 4.018 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)c(C)c1 ZINC000064567208 568933328 /nfs/dbraw/zinc/93/33/28/568933328.db2.gz KYRYXSLRBZHKHH-FQEVSTJZSA-N 0 0 445.563 4.283 50 0 IIAARN Cc1cccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)c1 ZINC000064578795 568934058 /nfs/dbraw/zinc/93/40/58/568934058.db2.gz QXJGFCCMVQNEJZ-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN Cc1cccc(-n2c(CN3CCN(C(=O)Nc4cccc(F)c4)CC3)nc3cccnc32)c1 ZINC000064578779 568934094 /nfs/dbraw/zinc/93/40/94/568934094.db2.gz BOKQPDJYYGZUCH-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1cc(C)ccc1C ZINC000064593482 568935899 /nfs/dbraw/zinc/93/58/99/568935899.db2.gz MGCZJDPLQLLBTL-IBGZPJMESA-N 0 0 433.537 4.006 50 0 IIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1C ZINC000064593882 568936196 /nfs/dbraw/zinc/93/61/96/568936196.db2.gz ZTYQTEZAEDOQQT-CQSZACIVSA-N 0 0 440.475 4.139 50 0 IIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000089558940 568937445 /nfs/dbraw/zinc/93/74/45/568937445.db2.gz GFAJUOGMUADICC-ZDUSSCGKSA-N 0 0 434.631 4.246 50 0 IIAARN CCc1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccc(Cl)cc2)cc(NC(C)=O)c1=O ZINC000064605054 568939062 /nfs/dbraw/zinc/93/90/62/568939062.db2.gz SZIOCCSYDRZERU-CQSZACIVSA-N 0 0 438.915 4.284 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000013109728 568939775 /nfs/dbraw/zinc/93/97/75/568939775.db2.gz XMMOREWENRJNMU-UHFFFAOYSA-N 0 0 439.899 4.287 50 0 IIAARN Cc1ccc(C)c(N2CCN(c3ccc(-c4nc(-c5ccc(F)cc5)no4)nn3)CC2)c1 ZINC000064612606 568941762 /nfs/dbraw/zinc/94/17/62/568941762.db2.gz XUQMDWGMMOWSBV-UHFFFAOYSA-N 0 0 430.487 4.276 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2F)cc1 ZINC000064656897 568942412 /nfs/dbraw/zinc/94/24/12/568942412.db2.gz ITUCDHAIKRECHM-HNNXBMFYSA-N 0 0 435.473 4.342 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(C)nc3NC2CCC(NC(=O)NC(C)C)CC2)c(C)c1 ZINC000036025995 568943700 /nfs/dbraw/zinc/94/37/00/568943700.db2.gz HBWBYQWMTLNUQQ-UHFFFAOYSA-N 0 0 435.576 4.171 50 0 IIAARN Cc1cccc(-c2noc(-c3nn(CC(=O)NCCc4ccccc4)c4ccccc43)n2)c1 ZINC000064677156 568944034 /nfs/dbraw/zinc/94/40/34/568944034.db2.gz SDFRTOLVCQKMHW-UHFFFAOYSA-N 0 0 437.503 4.421 50 0 IIAARN CN(CC(=O)N1CCCCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704266 568944643 /nfs/dbraw/zinc/94/46/43/568944643.db2.gz QYODTCJVVDZHLQ-UHFFFAOYSA-N 0 0 444.580 4.256 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1 ZINC000036068694 568945354 /nfs/dbraw/zinc/94/53/54/568945354.db2.gz KHQMLXYDUNQFQU-FQEVSTJZSA-N 0 0 441.478 4.064 50 0 IIAARN O=C(NCCc1ccccn1)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1 ZINC000036072300 568946058 /nfs/dbraw/zinc/94/60/58/568946058.db2.gz RYEOCWBXDKMKOA-UHFFFAOYSA-N 0 0 444.510 4.384 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083882 568947610 /nfs/dbraw/zinc/94/76/10/568947610.db2.gz NCMOKEVHVYSYJF-OAQYLSRUSA-N 0 0 444.915 4.331 50 0 IIAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)NCc1cccs1 ZINC000064747046 568950415 /nfs/dbraw/zinc/95/04/15/568950415.db2.gz YLULHFZZMBRPOJ-UHFFFAOYSA-N 0 0 446.557 4.360 50 0 IIAARN O=C(Nc1ccccc1)c1cccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)c1 ZINC000064754588 568950874 /nfs/dbraw/zinc/95/08/74/568950874.db2.gz UAEYLNAXPZJDQQ-LJQANCHMSA-N 0 0 447.922 4.262 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)N(C)Cc4ccccc4)CC3=O)c2)c1 ZINC000064754779 568951029 /nfs/dbraw/zinc/95/10/29/568951029.db2.gz JUXHKBNOOKOZCL-JOCHJYFZSA-N 0 0 441.531 4.259 50 0 IIAARN O=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1cc(F)ccc1Cl ZINC000064757163 568951548 /nfs/dbraw/zinc/95/15/48/568951548.db2.gz HBAMWTLMTRHXNF-UHFFFAOYSA-N 0 0 431.943 4.048 50 0 IIAARN CCN1c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2-c2ccccc2S1(=O)=O ZINC000064762077 568952728 /nfs/dbraw/zinc/95/27/28/568952728.db2.gz YCVRAULFZFITEX-UHFFFAOYSA-N 0 0 438.505 4.152 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)[C@@H](C)CC ZINC000036117769 568955956 /nfs/dbraw/zinc/95/59/56/568955956.db2.gz GJPBZRTYGVQXRO-PKOBYXMFSA-N 0 0 444.597 4.299 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119472 568956104 /nfs/dbraw/zinc/95/61/04/568956104.db2.gz HCWOVGFJOZUVNP-UTKZUKDTSA-N 0 0 426.582 4.290 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787683 568956296 /nfs/dbraw/zinc/95/62/96/568956296.db2.gz XFXHQZYDPDPDRN-HSZRJFAPSA-N 0 0 447.510 4.008 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)=O ZINC000036120120 568957146 /nfs/dbraw/zinc/95/71/46/568957146.db2.gz VWXQZCCKUXLXKI-HTAPYJJXSA-N 0 0 428.598 4.456 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(C)=O ZINC000036120603 568957354 /nfs/dbraw/zinc/95/73/54/568957354.db2.gz NMFSZXZUYQDQPJ-UZLBHIALSA-N 0 0 432.561 4.287 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120522 568957389 /nfs/dbraw/zinc/95/73/89/568957389.db2.gz KHLDNAWTZPTRKZ-LJQANCHMSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121551 568957898 /nfs/dbraw/zinc/95/78/98/568957898.db2.gz QDAYCTCWUMRECL-FQEVSTJZSA-N 0 0 444.572 4.429 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)=O ZINC000036121660 568957910 /nfs/dbraw/zinc/95/79/10/568957910.db2.gz XLJFNUCCHNXUOB-HRAATJIYSA-N 0 0 432.561 4.287 50 0 IIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C1CC1 ZINC000036121831 568958018 /nfs/dbraw/zinc/95/80/18/568958018.db2.gz IATVCNMIUZLWAX-NRFANRHFSA-N 0 0 440.609 4.456 50 0 IIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)C1CC1 ZINC000036122005 568958165 /nfs/dbraw/zinc/95/81/65/568958165.db2.gz VDUNMZTZGNYXHG-FQEVSTJZSA-N 0 0 426.582 4.208 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000036122778 568958381 /nfs/dbraw/zinc/95/83/81/568958381.db2.gz KMTPTHKLFUAZKX-OAQYLSRUSA-N 0 0 443.613 4.249 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)NCC ZINC000036122855 568958499 /nfs/dbraw/zinc/95/84/99/568958499.db2.gz RSSVKJAVTUBHCK-HXUWFJFHSA-N 0 0 429.586 4.003 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)CC1CC1 ZINC000036124038 568958635 /nfs/dbraw/zinc/95/86/35/568958635.db2.gz YGMXPSFUJTZWNG-FQEVSTJZSA-N 0 0 441.597 4.003 50 0 IIAARN Cc1cc(Nc2ccc(C(=O)NC3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791509 568958995 /nfs/dbraw/zinc/95/89/95/568958995.db2.gz NCHNEEYEDAVEHK-UHFFFAOYSA-N 0 0 427.512 4.301 50 0 IIAARN Cc1ccc(NC(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)c(C)c1 ZINC000064792383 568959266 /nfs/dbraw/zinc/95/92/66/568959266.db2.gz IURJIKNMNWYOSL-UHFFFAOYSA-N 0 0 449.942 4.245 50 0 IIAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)Nc3ccccc3C)c3nnnn32)cc1 ZINC000064793136 568959504 /nfs/dbraw/zinc/95/95/04/568959504.db2.gz IXGGYOWVMNBJEN-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN CCCCCCNC(=O)CN1c2nnnn2[C@H](c2ccc(C)cc2)C=C1c1ccccc1 ZINC000064793168 568959561 /nfs/dbraw/zinc/95/95/61/568959561.db2.gz GIFSJHNVFSWUJM-QHCPKHFHSA-N 0 0 430.556 4.129 50 0 IIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CCCCC2)n1C1CC1 ZINC000064794110 568959905 /nfs/dbraw/zinc/95/99/05/568959905.db2.gz VKPPNXHMTMTOGY-UHFFFAOYSA-N 0 0 428.587 4.013 50 0 IIAARN CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1sc2ncccc2c1N ZINC000064794260 568959974 /nfs/dbraw/zinc/95/99/74/568959974.db2.gz RSCYAHBGLVRZQK-UHFFFAOYSA-N 0 0 425.539 4.236 50 0 IIAARN COc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1OC ZINC000064797844 568960462 /nfs/dbraw/zinc/96/04/62/568960462.db2.gz IYENCBXNKSJZHU-OAHLLOKOSA-N 0 0 429.519 4.072 50 0 IIAARN CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146402 568962789 /nfs/dbraw/zinc/96/27/89/568962789.db2.gz ZQMAYWBZQOTNKG-YADHBBJMSA-N 0 0 432.511 4.136 50 0 IIAARN CCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000006722378 568963024 /nfs/dbraw/zinc/96/30/24/568963024.db2.gz YJYHYKZUPDXHPN-NRFANRHFSA-N 0 0 427.520 4.062 50 0 IIAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(C[C@H]1CCCO1)C(=O)C(C)(C)C ZINC000006722887 568963237 /nfs/dbraw/zinc/96/32/37/568963237.db2.gz OQKCAQLSLKHRPX-OAQYLSRUSA-N 0 0 429.605 4.435 50 0 IIAARN O=C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)N[C@@H]1CCCc2ccccc21 ZINC000064814496 568963923 /nfs/dbraw/zinc/96/39/23/568963923.db2.gz HGEWTEYDBKXLSA-OAHLLOKOSA-N 0 0 431.414 4.020 50 0 IIAARN CC[C@@H]1Cn2c(C(=O)NCCc3ccc(OC)c(OC)c3)cc3c2c(ccc3Cl)O1 ZINC000064816600 568964155 /nfs/dbraw/zinc/96/41/55/568964155.db2.gz WFPZJXUDQKOURA-OAHLLOKOSA-N 0 0 428.916 4.455 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccc4c(c3)OCO4)c(=O)c21 ZINC000064817348 568964504 /nfs/dbraw/zinc/96/45/04/568964504.db2.gz RVSQHLGAGFXRBY-UHFFFAOYSA-N 0 0 448.548 4.299 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(OC)c3)n(Cc3cccs3)c(=O)c21 ZINC000064817582 568964921 /nfs/dbraw/zinc/96/49/21/568964921.db2.gz PIBIBRZTXHWOHS-UHFFFAOYSA-N 0 0 426.567 4.332 50 0 IIAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)nc(N1CCCC1)n(Cc1ccccc1)c2=O ZINC000064819484 568966638 /nfs/dbraw/zinc/96/66/38/568966638.db2.gz IWGKOXITULWDHM-UHFFFAOYSA-N 0 0 442.494 4.436 50 0 IIAARN COC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1ccnc(C)n1 ZINC000064823731 568967696 /nfs/dbraw/zinc/96/76/96/568967696.db2.gz ZPYCBLYMIPRTSP-UHFFFAOYSA-N 0 0 432.299 4.315 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842465 568970901 /nfs/dbraw/zinc/97/09/01/568970901.db2.gz KWSKSIPEHCFRRL-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842755 568970974 /nfs/dbraw/zinc/97/09/74/568970974.db2.gz NLUGMPWFZRALHO-HNNXBMFYSA-N 0 0 432.480 4.185 50 0 IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cc(F)ccc3F)CC1)N2 ZINC000064848199 568971529 /nfs/dbraw/zinc/97/15/29/568971529.db2.gz ARUQYNCTFAALIH-UHFFFAOYSA-N 0 0 443.519 4.478 50 0 biogenic IIAARN CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208310 568973421 /nfs/dbraw/zinc/97/34/21/568973421.db2.gz LWCDBGYGTHFKRF-HXUWFJFHSA-N 0 0 427.545 4.180 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862303 568974028 /nfs/dbraw/zinc/97/40/28/568974028.db2.gz DQSCCIMKERQSKC-QGZVFWFLSA-N 0 0 439.581 4.231 50 0 IIAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1Cl ZINC000064866260 568974252 /nfs/dbraw/zinc/97/42/52/568974252.db2.gz VCJFBFAGYJNCEK-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cccc(C)c1C ZINC000064866433 568974429 /nfs/dbraw/zinc/97/44/29/568974429.db2.gz HOFYQHQAYCHJDJ-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1cc(C)cc(C)c1 ZINC000064866874 568974788 /nfs/dbraw/zinc/97/47/88/568974788.db2.gz PGSLIBDXNCVAHH-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000064866863 568974828 /nfs/dbraw/zinc/97/48/28/568974828.db2.gz PWXQGXFOJFKIPC-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN CCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215831 568977764 /nfs/dbraw/zinc/97/77/64/568977764.db2.gz BWFWHNHFUYNWTI-YADHBBJMSA-N 0 0 447.491 4.120 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccncc2)cc1 ZINC000064888103 568979328 /nfs/dbraw/zinc/97/93/28/568979328.db2.gz DQNWEIXYBGYHNA-UHFFFAOYSA-N 0 0 434.565 4.374 50 0 IIAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1cc(F)ccc1F ZINC000064888183 568979431 /nfs/dbraw/zinc/97/94/31/568979431.db2.gz UHRGJBSDWKPIKA-UHFFFAOYSA-N 0 0 441.503 4.078 50 0 IIAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246345 568981778 /nfs/dbraw/zinc/98/17/78/568981778.db2.gz QIIOFFMWBAPZBY-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COC(=O)c1cc(OCC(=O)N(C2CCCCC2)C2CCCCC2)cc(C(=O)OC)c1 ZINC000006785009 568985860 /nfs/dbraw/zinc/98/58/60/568985860.db2.gz NQYCHNRXKOQERO-UHFFFAOYSA-N 0 0 431.529 4.133 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927390 568987172 /nfs/dbraw/zinc/98/71/72/568987172.db2.gz AEBPRYZVDBXDKY-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)ccc2=O)cc1 ZINC000064927271 568987174 /nfs/dbraw/zinc/98/71/74/568987174.db2.gz JUOUKZOVERWISH-UHFFFAOYSA-N 0 0 430.552 4.267 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930155 568988693 /nfs/dbraw/zinc/98/86/93/568988693.db2.gz SPARAUZOYMBKOS-KRWDZBQOSA-N 0 0 442.928 4.430 50 0 IIAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ccccc2F)CC1 ZINC000169681424 568992220 /nfs/dbraw/zinc/99/22/20/568992220.db2.gz OUGCMQAAKXEPBQ-GOSISDBHSA-N 0 0 425.548 4.275 50 0 IIAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681221 568992825 /nfs/dbraw/zinc/99/28/25/568992825.db2.gz GVVQKSCVBFDKJF-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN COc1ccc(NC(=O)Cn2c(C)ccc(NC(=O)Nc3cccc(C)c3)c2=O)c(C)c1 ZINC000169681260 568992982 /nfs/dbraw/zinc/99/29/82/568992982.db2.gz GQWZCUGSCGNGQY-UHFFFAOYSA-N 0 0 434.496 4.065 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000064944384 568993242 /nfs/dbraw/zinc/99/32/42/568993242.db2.gz QITBXKRUHGUDJX-ZDUSSCGKSA-N 0 0 441.582 4.256 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3C[C@H](C)CSc4ccccc43)cc21 ZINC000064952175 568997273 /nfs/dbraw/zinc/99/72/73/568997273.db2.gz GFCZUPPPEXILEO-HNNXBMFYSA-N 0 0 448.635 4.472 50 0 IIAARN COCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036314278 568998904 /nfs/dbraw/zinc/99/89/04/568998904.db2.gz FXUZORAMZYSEFG-UHFFFAOYSA-N 0 0 449.551 4.166 50 0 IIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2cccc(F)c2)C2CC2)c1 ZINC000036314267 568998935 /nfs/dbraw/zinc/99/89/35/568998935.db2.gz WJZWPKHRJJPUGD-UHFFFAOYSA-N 0 0 435.499 4.431 50 0 IIAARN COc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C2CC2)cc1 ZINC000036314260 568998968 /nfs/dbraw/zinc/99/89/68/568998968.db2.gz ZNAQRJZTVRITDD-UHFFFAOYSA-N 0 0 447.535 4.300 50 0 IIAARN CCOc1cc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc(OCC)c1OCC ZINC000006811189 569000683 /nfs/dbraw/zinc/00/06/83/569000683.db2.gz OSVNBYPFOLDLDE-UHFFFAOYSA-N 0 0 425.485 4.171 50 0 IIAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3C)c(C)o2)c(OC)c1 ZINC000064967466 569001137 /nfs/dbraw/zinc/00/11/37/569001137.db2.gz PETPPRLZSZVCLJ-UHFFFAOYSA-N 0 0 447.495 4.176 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2nnn(Cc3nc(-c4ccccc4C)oc3C)c2C)c1 ZINC000064967674 569001446 /nfs/dbraw/zinc/00/14/46/569001446.db2.gz NZAYBYYBCLKWKC-UHFFFAOYSA-N 0 0 447.495 4.176 50 0 IIAARN O=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCc1ccccc1Cl ZINC000064971366 569076099 /nfs/dbraw/zinc/07/60/99/569076099.db2.gz HOAJXMXUBGMQSN-UHFFFAOYSA-N 0 0 448.910 4.042 50 0 IIAARN O=C(Nc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972097 569076745 /nfs/dbraw/zinc/07/67/45/569076745.db2.gz TXMGVOIACOMPSR-NRFANRHFSA-N 0 0 426.925 4.094 50 0 IIAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4C)c3=O)n2)cc1 ZINC000064971778 569076836 /nfs/dbraw/zinc/07/68/36/569076836.db2.gz JMLFXCZFJUUYEJ-UHFFFAOYSA-N 0 0 428.492 4.438 50 0 IIAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4OC)oc3C)ccn2n1 ZINC000064977345 569077019 /nfs/dbraw/zinc/07/70/19/569077019.db2.gz DFNONJPKLQPSKM-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN CCc1ccccc1NC(=O)CCc1c(C)n(C)c2cc(-c3ccc(OC)cc3)nn2c1=O ZINC000064977713 569077582 /nfs/dbraw/zinc/07/75/82/569077582.db2.gz FLYOKKXASPNACP-UHFFFAOYSA-N 0 0 444.535 4.151 50 0 IIAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2)on1 ZINC000064979644 569078198 /nfs/dbraw/zinc/07/81/98/569078198.db2.gz FKGCIOLKSHIIFP-UHFFFAOYSA-N 0 0 431.945 4.123 50 0 IIAARN COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000064979608 569078221 /nfs/dbraw/zinc/07/82/21/569078221.db2.gz VIZWOHAMNVCSRI-UHFFFAOYSA-N 0 0 427.526 4.387 50 0 IIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc(C)cc1 ZINC000036342494 569079484 /nfs/dbraw/zinc/07/94/84/569079484.db2.gz JHAPYZYQEIEKPF-DQEYMECFSA-N 0 0 447.579 4.399 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036345082 569080432 /nfs/dbraw/zinc/08/04/32/569080432.db2.gz FUUKFOCHZUYOBX-AREMUKBSSA-N 0 0 425.532 4.431 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343518 569080497 /nfs/dbraw/zinc/08/04/97/569080497.db2.gz YNRCAUJSRYCVRG-NOZRDPDXSA-N 0 0 447.579 4.256 50 0 IIAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036345562 569080566 /nfs/dbraw/zinc/08/05/66/569080566.db2.gz HBYRZDGRWZUZCD-RUZDIDTESA-N 0 0 447.579 4.256 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985346 569081850 /nfs/dbraw/zinc/08/18/50/569081850.db2.gz INNNGURVVSABQL-OAQYLSRUSA-N 0 0 442.924 4.243 50 0 IIAARN CC(C)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985377 569082005 /nfs/dbraw/zinc/08/20/05/569082005.db2.gz HCBBNBNWTXDAGH-HSZRJFAPSA-N 0 0 436.533 4.405 50 0 IIAARN O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985732 569082112 /nfs/dbraw/zinc/08/21/12/569082112.db2.gz HKUUOUSDJFWZBY-HXUWFJFHSA-N 0 0 446.887 4.074 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccc(F)c3)Oc3cc(C)ccc32)cc1 ZINC000064986042 569082114 /nfs/dbraw/zinc/08/21/14/569082114.db2.gz AKTFNNHHCIMMTB-JOCHJYFZSA-N 0 0 440.496 4.038 50 0 IIAARN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987217 569082369 /nfs/dbraw/zinc/08/23/69/569082369.db2.gz FDKPWRYVANGAMJ-UHFFFAOYSA-N 0 0 430.917 4.028 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C2CC2)cc1 ZINC000064987144 569082566 /nfs/dbraw/zinc/08/25/66/569082566.db2.gz HSYRFODAFMOXOA-UHFFFAOYSA-N 0 0 436.537 4.481 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O)C1CCCCC1 ZINC000064987675 569082705 /nfs/dbraw/zinc/08/27/05/569082705.db2.gz XERTUVXQIQCSQZ-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN CC(C)CNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000006832966 569084202 /nfs/dbraw/zinc/08/42/02/569084202.db2.gz YWKPJFVXPZRLPM-BPVAQJAMSA-N 0 0 426.479 4.225 50 0 IIAARN CC(C)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000064998786 569085541 /nfs/dbraw/zinc/08/55/41/569085541.db2.gz ZEQWKASDHZRYFL-UHFFFAOYSA-N 0 0 432.455 4.467 50 0 IIAARN Cc1ccc(Cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2-n2cccc2)cc1 ZINC000064999447 569085814 /nfs/dbraw/zinc/08/58/14/569085814.db2.gz SUAOITLMVMDGBK-UHFFFAOYSA-N 0 0 439.441 4.374 50 0 IIAARN COCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006049 569087298 /nfs/dbraw/zinc/08/72/98/569087298.db2.gz VMRFWSJLKHNMFT-GOSISDBHSA-N 0 0 449.551 4.054 50 0 IIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3ccccc3)c2oc1C(=O)N1CCCC1 ZINC000065010551 569088332 /nfs/dbraw/zinc/08/83/32/569088332.db2.gz OYHMRMSGGSDJDF-UHFFFAOYSA-N 0 0 426.538 4.073 50 0 IIAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1 ZINC000065023734 569089458 /nfs/dbraw/zinc/08/94/58/569089458.db2.gz OLHSWWWQOGSSBY-JOCHJYFZSA-N 0 0 430.552 4.465 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000065026622 569089818 /nfs/dbraw/zinc/08/98/18/569089818.db2.gz NZBAMBZERQSLTB-UHFFFAOYSA-N 0 0 431.927 4.321 50 0 IIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000065026751 569089962 /nfs/dbraw/zinc/08/99/62/569089962.db2.gz FWKFCIWABILSBT-UHFFFAOYSA-N 0 0 440.381 4.074 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCC3)no2)cc1 ZINC000065027312 569090317 /nfs/dbraw/zinc/09/03/17/569090317.db2.gz QTIVLZIMPRKZCF-UHFFFAOYSA-N 0 0 435.480 4.187 50 0 IIAARN Cc1noc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3)s2)c1C ZINC000065031404 569091459 /nfs/dbraw/zinc/09/14/59/569091459.db2.gz WTHFBHBFABVPQQ-UHFFFAOYSA-N 0 0 427.345 4.261 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OCC(N)=O)c3c2)c1 ZINC000065034096 569091800 /nfs/dbraw/zinc/09/18/00/569091800.db2.gz XGDJFCOPBLFUNH-UHFFFAOYSA-N 0 0 429.451 4.466 50 0 IIAARN CSc1cccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065035004 569092497 /nfs/dbraw/zinc/09/24/97/569092497.db2.gz VAZVACYOKYCLEY-UHFFFAOYSA-N 0 0 431.920 4.452 50 0 IIAARN O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169753291 569093144 /nfs/dbraw/zinc/09/31/44/569093144.db2.gz NHXSMJZKEGAIOC-SFHVURJKSA-N 0 0 425.330 4.238 50 0 IIAARN COc1cccc(CCC(=O)N2CCCN(c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)c1 ZINC000169753127 569093332 /nfs/dbraw/zinc/09/33/32/569093332.db2.gz VRNNYTHEFHHXPE-UHFFFAOYSA-N 0 0 432.568 4.374 50 0 IIAARN O=C(COc1cccc(-c2nnc3n2CCCC3)c1)Nc1ccc(Br)cc1 ZINC000169755568 569093526 /nfs/dbraw/zinc/09/35/26/569093526.db2.gz ZZKPUZNRYZEUBN-UHFFFAOYSA-N 0 0 427.302 4.061 50 0 IIAARN O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1 ZINC000169753354 569093582 /nfs/dbraw/zinc/09/35/82/569093582.db2.gz STNHYRKIBRXORY-KRWDZBQOSA-N 0 0 430.430 4.374 50 0 IIAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754876 569093969 /nfs/dbraw/zinc/09/39/69/569093969.db2.gz OOGIOASFIBCKKJ-UHFFFAOYSA-N 0 0 434.721 4.016 50 0 IIAARN Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(Br)c5)no4)c3CO2)cc1 ZINC000169758267 569094346 /nfs/dbraw/zinc/09/43/46/569094346.db2.gz XOLCTQHOGZXGGB-INIZCTEOSA-N 0 0 442.248 4.168 50 0 IIAARN COc1cccc([C@H]2Cn3nnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)c1 ZINC000169758464 569094438 /nfs/dbraw/zinc/09/44/38/569094438.db2.gz OIORYVYYZWPXFG-QGZVFWFLSA-N 0 0 443.385 4.294 50 0 IIAARN CCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059903 569095655 /nfs/dbraw/zinc/09/56/55/569095655.db2.gz PZNXQRYVGBTKKB-UHFFFAOYSA-N 0 0 443.500 4.344 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065059153 569095979 /nfs/dbraw/zinc/09/59/79/569095979.db2.gz DDNFPERCIXBBFL-OAQYLSRUSA-N 0 0 430.346 4.400 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062114 569097017 /nfs/dbraw/zinc/09/70/17/569097017.db2.gz MRSZNOHDHYLJHC-GFCCVEGCSA-N 0 0 430.954 4.216 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000065062130 569097041 /nfs/dbraw/zinc/09/70/41/569097041.db2.gz REPDRLQEVQUHNF-HNNXBMFYSA-N 0 0 441.018 4.063 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063342 569097921 /nfs/dbraw/zinc/09/79/21/569097921.db2.gz KONAPAWJLNLQHI-OAHLLOKOSA-N 0 0 443.500 4.342 50 0 IIAARN COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)cc1F ZINC000169769230 569098006 /nfs/dbraw/zinc/09/80/06/569098006.db2.gz UNJRBWJQCGHQPN-KRWDZBQOSA-N 0 0 427.823 4.068 50 0 IIAARN Cc1ccccc1[C@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21)NC(N)=O ZINC000036393339 569098410 /nfs/dbraw/zinc/09/84/10/569098410.db2.gz XSFCMVYSNVTLBQ-KRWDZBQOSA-N 0 0 437.500 4.249 50 0 IIAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(C(=O)N(C)Cc5ccccc5)CC4)c32)C1 ZINC000036395286 569098739 /nfs/dbraw/zinc/09/87/39/569098739.db2.gz WVMLCJWYWLDKSW-KRWDZBQOSA-N 0 0 435.597 4.190 50 0 IIAARN CCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000065074557 569098965 /nfs/dbraw/zinc/09/89/65/569098965.db2.gz SLXWQVRZESPWMB-UHFFFAOYSA-N 0 0 439.537 4.431 50 0 IIAARN O=C(CCn1nnc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21)N1CCCCC1 ZINC000065076033 569099169 /nfs/dbraw/zinc/09/91/69/569099169.db2.gz FONNZXNLEUROSN-VQHVLOKHSA-N 0 0 434.525 4.116 50 0 IIAARN COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075039 569099399 /nfs/dbraw/zinc/09/93/99/569099399.db2.gz FJNUBRQBZJFCRD-HHHXNRCGSA-N 0 0 428.532 4.277 50 0 IIAARN COc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc5C4)csc3n2)cc1OC ZINC000065079485 569100987 /nfs/dbraw/zinc/10/09/87/569100987.db2.gz FXFVBYFSBXHZRG-UHFFFAOYSA-N 0 0 433.533 4.207 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NCCC(C)C)C3)sc12 ZINC000065081489 569101432 /nfs/dbraw/zinc/10/14/32/569101432.db2.gz NVCTUDSGUCAUEB-MRXNPFEDSA-N 0 0 429.565 4.308 50 0 IIAARN Cc1cc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc1Br ZINC000169772384 569101570 /nfs/dbraw/zinc/10/15/70/569101570.db2.gz ROHOOZZKZNTEJG-UHFFFAOYSA-N 0 0 443.267 4.421 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085187 569102812 /nfs/dbraw/zinc/10/28/12/569102812.db2.gz XXSRKTDGBNXOTB-UHFFFAOYSA-N 0 0 436.352 4.273 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 ZINC000065096409 569103492 /nfs/dbraw/zinc/10/34/92/569103492.db2.gz IZNZXPAYQPAYHS-UHFFFAOYSA-N 0 0 445.504 4.433 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099704 569105253 /nfs/dbraw/zinc/10/52/53/569105253.db2.gz LIANTEWGLSSMGD-UHFFFAOYSA-N 0 0 434.525 4.363 50 0 IIAARN COCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000006905143 569105785 /nfs/dbraw/zinc/10/57/85/569105785.db2.gz DETDYVCOAQHJKM-RYUDHWBXSA-N 0 0 437.249 4.226 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c(Cl)c1 ZINC000065115300 569106796 /nfs/dbraw/zinc/10/67/96/569106796.db2.gz RRCPYRWYKQCQMZ-UHFFFAOYSA-N 0 0 433.917 4.217 50 0 IIAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)no2)cc1 ZINC000065111941 569107791 /nfs/dbraw/zinc/10/77/91/569107791.db2.gz PRMGBALLCBVKJT-UHFFFAOYSA-N 0 0 435.908 4.406 50 0 IIAARN O=S(=O)(c1ccccc1Br)N1CCC(c2noc(-c3ccccc3)n2)CC1 ZINC000065111877 569107811 /nfs/dbraw/zinc/10/78/11/569107811.db2.gz JPTBQZMAVDCFGP-UHFFFAOYSA-N 0 0 448.342 4.067 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCC2(CC1)OCCO2 ZINC000065114061 569108626 /nfs/dbraw/zinc/10/86/26/569108626.db2.gz JBDCEXKHTXSXQX-UHFFFAOYSA-N 0 0 443.956 4.298 50 0 biogenic IIAARN CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000065114044 569108686 /nfs/dbraw/zinc/10/86/86/569108686.db2.gz YOZYZNSGDMWVJC-UHFFFAOYSA-N 0 0 437.565 4.389 50 0 IIAARN COc1ccc(CNC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)s2)cc1OC ZINC000065119235 569108711 /nfs/dbraw/zinc/10/87/11/569108711.db2.gz ULEFQAYPLONJTI-UHFFFAOYSA-N 0 0 434.517 4.059 50 0 IIAARN COc1ccc(-c2nnc(-c3cccnc3N3CCN(c4ccccc4C)CC3)o2)cc1 ZINC000065117740 569108801 /nfs/dbraw/zinc/10/88/01/569108801.db2.gz XXJSSUNPMGKGQI-UHFFFAOYSA-N 0 0 427.508 4.442 50 0 IIAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000065117887 569108902 /nfs/dbraw/zinc/10/89/02/569108902.db2.gz BYIATPBTUZUUKO-UHFFFAOYSA-N 0 0 446.433 4.067 50 0 IIAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c(OC)c1 ZINC000006924572 569109889 /nfs/dbraw/zinc/10/98/89/569109889.db2.gz LDCHHMCNLPLOEI-RHSMWYFYSA-N 0 0 436.390 4.406 50 0 IIAARN C[C@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2F)ncn1 ZINC000065133525 569109938 /nfs/dbraw/zinc/10/99/38/569109938.db2.gz SJLKBAGEJVSIFQ-LBPRGKRZSA-N 0 0 439.354 4.488 50 0 IIAARN COc1ccc(CNC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)cc1 ZINC000065133126 569109983 /nfs/dbraw/zinc/10/99/83/569109983.db2.gz QJLOHABBVHNLDN-UHFFFAOYSA-N 0 0 428.945 4.159 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)c(Cl)c1 ZINC000065129953 569110137 /nfs/dbraw/zinc/11/01/37/569110137.db2.gz NOCMGXBBIGAMTR-UHFFFAOYSA-N 0 0 439.943 4.014 50 0 IIAARN Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 ZINC000065136871 569110389 /nfs/dbraw/zinc/11/03/89/569110389.db2.gz VMGZHLIIOFFRLQ-QFIPXVFZSA-N 0 0 434.584 4.368 50 0 IIAARN CCOc1cccc(CNC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)c1 ZINC000065151151 569111739 /nfs/dbraw/zinc/11/17/39/569111739.db2.gz IAUMARHTRYKZQF-UHFFFAOYSA-N 0 0 429.524 4.056 50 0 IIAARN CSc1cccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1 ZINC000065154298 569112171 /nfs/dbraw/zinc/11/21/71/569112171.db2.gz XOELVZVTRLYAQP-UHFFFAOYSA-N 0 0 432.505 4.290 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1 ZINC000065154325 569112208 /nfs/dbraw/zinc/11/22/08/569112208.db2.gz GKIXOONZJTXMOY-UHFFFAOYSA-N 0 0 432.480 4.212 50 0 IIAARN CSc1ccc(CNC(=O)c2csc(-c3ccc(N4CCSCC4)nc3)n2)cc1 ZINC000065165701 569113163 /nfs/dbraw/zinc/11/31/63/569113163.db2.gz FSGKTXXUKXQKFC-UHFFFAOYSA-N 0 0 442.635 4.410 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)c(OC)c1 ZINC000065171723 569113370 /nfs/dbraw/zinc/11/33/70/569113370.db2.gz VREQPPJBTKQSRR-UHFFFAOYSA-N 0 0 432.524 4.081 50 0 IIAARN O=S(=O)(c1cccn2cnnc12)N(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000065185214 569114146 /nfs/dbraw/zinc/11/41/46/569114146.db2.gz JVCMYGMIDYCNKZ-UHFFFAOYSA-N 0 0 434.855 4.056 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(Cl)cc3)cccn12 ZINC000065185281 569114227 /nfs/dbraw/zinc/11/42/27/569114227.db2.gz YNAYGNUPNIUUMZ-UHFFFAOYSA-N 0 0 444.919 4.480 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(F)c(F)c3)cccn12 ZINC000065185296 569114248 /nfs/dbraw/zinc/11/42/48/569114248.db2.gz RBJYQKZIXRGMQV-UHFFFAOYSA-N 0 0 428.464 4.020 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3cccc(Cl)c3)cccn12 ZINC000065185327 569114252 /nfs/dbraw/zinc/11/42/52/569114252.db2.gz AFPROQKQAYZYMN-UHFFFAOYSA-N 0 0 448.882 4.365 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)cccn12 ZINC000065185278 569114293 /nfs/dbraw/zinc/11/42/93/569114293.db2.gz GZDPFZLHHJRMIM-UHFFFAOYSA-N 0 0 426.929 4.341 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000065178617 569114464 /nfs/dbraw/zinc/11/44/64/569114464.db2.gz ZYDDLPZXJMXWGQ-HXUWFJFHSA-N 0 0 436.552 4.253 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)c(C)c1 ZINC000065178828 569114494 /nfs/dbraw/zinc/11/44/94/569114494.db2.gz NLOHICKVGNIYFJ-FQEVSTJZSA-N 0 0 436.552 4.171 50 0 IIAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)cc1)N1CCCC1 ZINC000065178792 569114535 /nfs/dbraw/zinc/11/45/35/569114535.db2.gz XLIDMQFUCXDGPZ-QGZVFWFLSA-N 0 0 428.479 4.132 50 0 IIAARN O=C(N[C@@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1cccc(Br)c1 ZINC000065209606 569116429 /nfs/dbraw/zinc/11/64/29/569116429.db2.gz FZZRHVGWXJVIIB-GOSISDBHSA-N 0 0 441.329 4.342 50 0 IIAARN Cc1ccc(CNC(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000065211679 569116628 /nfs/dbraw/zinc/11/66/28/569116628.db2.gz HDJVGCBXKNIFAX-UHFFFAOYSA-N 0 0 426.973 4.362 50 0 IIAARN COc1cc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc(OC)c1OC ZINC000007000663 569116774 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4.385 50 0 IIAARN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cs1)c1cccc(Cl)c1 ZINC000089930515 569167966 /nfs/dbraw/zinc/16/79/66/569167966.db2.gz KPWUQYDPWJNTPK-NHCUHLMSSA-N 0 0 447.004 4.456 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1=O ZINC000089948067 569168554 /nfs/dbraw/zinc/16/85/54/569168554.db2.gz XUXIOOIKXVEVTF-MHZLTWQESA-N 0 0 441.531 4.092 50 0 IIAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000016981159 569169269 /nfs/dbraw/zinc/16/92/69/569169269.db2.gz CBAUNHKQIJGUHO-UHFFFAOYSA-N 0 0 441.535 4.428 50 0 IIAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc(Br)cc1 ZINC000017011226 569170360 /nfs/dbraw/zinc/17/03/60/569170360.db2.gz MMSYPLGPZAAARY-UHFFFAOYSA-N 0 0 449.308 4.412 50 0 IIAARN COc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c(C)o1 ZINC000017051470 569171932 /nfs/dbraw/zinc/17/19/32/569171932.db2.gz HGDCBGPBWHOGNY-UHFFFAOYSA-N 0 0 426.476 4.492 50 0 IIAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1C 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0 0 436.545 4.109 50 0 IIAARN CCOC(=O)c1ccc(COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001121630 569176824 /nfs/dbraw/zinc/17/68/24/569176824.db2.gz USZGAFHJERORGU-UHFFFAOYSA-N 0 0 429.428 4.021 50 0 IIAARN CC[C@]1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O ZINC000170636875 569178339 /nfs/dbraw/zinc/17/83/39/569178339.db2.gz GJHJNHXEWYFLRL-PBPSECFOSA-N 0 0 428.891 4.306 50 0 IIAARN Cc1ccc(-n2cnnc2S[C@@H](C(N)=O)c2ccc(Br)cc2F)c(C)c1 ZINC000170638466 569178526 /nfs/dbraw/zinc/17/85/26/569178526.db2.gz VSGGYWZLYFMGLW-MRXNPFEDSA-N 0 0 435.322 4.104 50 0 IIAARN Cc1c(OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000002092369 569178829 /nfs/dbraw/zinc/17/88/29/569178829.db2.gz WPPUJKNSYPLSGT-QFIPXVFZSA-N 0 0 449.503 4.447 50 0 biogenic IIAARN COc1ccc(-n2nc3nc(N4CCCCC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000037361420 569181558 /nfs/dbraw/zinc/18/15/58/569181558.db2.gz KUTLYCKLOQSVTC-UHFFFAOYSA-N 0 0 436.466 4.342 50 0 IIAARN CC(=O)Nc1ccc(OC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000027148291 569181678 /nfs/dbraw/zinc/18/16/78/569181678.db2.gz HWTAVEIPARFIPL-UHFFFAOYSA-N 0 0 447.516 4.388 50 0 IIAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002132698 569185097 /nfs/dbraw/zinc/18/50/97/569185097.db2.gz JZOQIVQSCSAMBE-OAQYLSRUSA-N 0 0 449.503 4.323 50 0 biogenic IIAARN Cc1cccc(-c2nc(NC[C@H]3CCCO3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037376384 569185513 /nfs/dbraw/zinc/18/55/13/569185513.db2.gz RCCCSRPMWYGDLZ-MRXNPFEDSA-N 0 0 436.466 4.242 50 0 IIAARN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 ZINC000170642818 569185611 /nfs/dbraw/zinc/18/56/11/569185611.db2.gz YIVAYPKFSACHLR-INIZCTEOSA-N 0 0 446.408 4.097 50 0 IIAARN COc1ccc(-c2csc(C3=C(N)N(C[C@H]4COc5ccccc5O4)CC3=O)n2)cc1 ZINC000252484520 569186458 /nfs/dbraw/zinc/18/64/58/569186458.db2.gz FYPIRGSLMIIBQB-INIZCTEOSA-N 0 0 435.505 4.221 50 0 IIAARN Cc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3NS(C)(=O)=O)C2)cc1 ZINC000252489108 569186728 /nfs/dbraw/zinc/18/67/28/569186728.db2.gz JFONPMVSYJXIRI-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c12 ZINC000002148664 569187083 /nfs/dbraw/zinc/18/70/83/569187083.db2.gz FNNQYLFKWQIWHQ-HNNXBMFYSA-N 0 0 435.542 4.216 50 0 biogenic IIAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCC3)CC(=O)N12 ZINC000002159274 569187857 /nfs/dbraw/zinc/18/78/57/569187857.db2.gz BDBPXXGUCDUYOI-JYFHCDHNSA-N 0 0 427.548 4.494 50 0 biogenic IIAARN O=C(c1ccccc1SC(F)F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252571530 569191142 /nfs/dbraw/zinc/19/11/42/569191142.db2.gz YCNLZUSTQHHYMQ-UHFFFAOYSA-N 0 0 445.491 4.075 50 0 IIAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n1 ZINC000037384599 569192076 /nfs/dbraw/zinc/19/20/76/569192076.db2.gz QXNUPMHBJXPQQI-UHFFFAOYSA-N 0 0 449.467 4.205 50 0 IIAARN CCN1CCN(C(=O)CCn2c3ccccc3nc2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000037397312 569193238 /nfs/dbraw/zinc/19/32/38/569193238.db2.gz APGBMRGPMIVZRZ-UHFFFAOYSA-N 0 0 445.394 4.488 50 0 IIAARN Cc1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000037398965 569194155 /nfs/dbraw/zinc/19/41/55/569194155.db2.gz NZIYSQBCSVIIQR-UHFFFAOYSA-N 0 0 433.959 4.107 50 0 IIAARN CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000037400177 569194785 /nfs/dbraw/zinc/19/47/85/569194785.db2.gz ORRNCNJKJHLRPG-UHFFFAOYSA-N 0 0 431.485 4.378 50 0 IIAARN CC(C)CC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000037399892 569194857 /nfs/dbraw/zinc/19/48/57/569194857.db2.gz FWHUSDOGRJOWLQ-HXUWFJFHSA-N 0 0 449.544 4.147 50 0 IIAARN Cc1cn(Cc2ccc(C(=O)N(C)C)o2)/c(=N/C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000037437971 569196344 /nfs/dbraw/zinc/19/63/44/569196344.db2.gz KDZQDUXHNRTQJO-QOCHGBHMSA-N 0 0 438.336 4.249 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000037443904 569197110 /nfs/dbraw/zinc/19/71/10/569197110.db2.gz LLAHSNKKWHENPS-NUANOYTQSA-N 0 0 444.579 4.188 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000037525345 569199015 /nfs/dbraw/zinc/19/90/15/569199015.db2.gz ONINYCXHPFXBEX-LJQANCHMSA-N 0 0 435.568 4.109 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)C1 ZINC000037541646 569199332 /nfs/dbraw/zinc/19/93/32/569199332.db2.gz GWJACESWPYGMOY-SFHVURJKSA-N 0 0 440.565 4.483 50 0 IIAARN Cc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@H](c4ccccc4)NC3=O)c2)c1 ZINC000037554150 569200380 /nfs/dbraw/zinc/20/03/80/569200380.db2.gz PRMJAWYBFPHDAY-HSZRJFAPSA-N 0 0 427.504 4.108 50 0 IIAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000037557715 569200679 /nfs/dbraw/zinc/20/06/79/569200679.db2.gz PTLHLHCRLNOXLZ-HSZRJFAPSA-N 0 0 432.520 4.273 50 0 IIAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)NC[C@@H]1CCCO1 ZINC000037556959 569200718 /nfs/dbraw/zinc/20/07/18/569200718.db2.gz RRJGXTHSJFHYOX-DEOSSOPVSA-N 0 0 438.543 4.387 50 0 IIAARN COCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2cccc(C)c2)c1 ZINC000037600928 569202264 /nfs/dbraw/zinc/20/22/64/569202264.db2.gz UXRFUVZQJDIDNU-UHFFFAOYSA-N 0 0 434.511 4.173 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CCN1C(=O)Cc1ccccc1 ZINC000037623708 569203310 /nfs/dbraw/zinc/20/33/10/569203310.db2.gz XETFRJPDNGABGO-MRXNPFEDSA-N 0 0 440.906 4.341 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C ZINC000007799798 569203653 /nfs/dbraw/zinc/20/36/53/569203653.db2.gz DQQNUFYADPFCGG-OAHLLOKOSA-N 0 0 425.558 4.276 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)C1=NO[C@@H](Cc2noc(-c3cccc(Cl)c3)n2)C1 ZINC000066089014 569205693 /nfs/dbraw/zinc/20/56/93/569205693.db2.gz JEBRRLIIGDTALK-MRXNPFEDSA-N 0 0 431.279 4.047 50 0 IIAARN COc1ccc2c(c1)-c1c(ssc1=Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)N2 ZINC000252669050 569209851 /nfs/dbraw/zinc/20/98/51/569209851.db2.gz GHRPYZURMSLYAH-UHFFFAOYSA-N 0 0 433.580 4.026 50 0 IIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CS(=O)(=O)C3)c1C ZINC000003009525 569213184 /nfs/dbraw/zinc/21/31/84/569213184.db2.gz HXVOMFXNUXNQOV-UHFFFAOYSA-N 0 0 449.454 4.189 50 0 IIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c1 ZINC000003264875 569213236 /nfs/dbraw/zinc/21/32/36/569213236.db2.gz ISUMXVWMJFHDNZ-UHFFFAOYSA-N 0 0 441.578 4.464 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002252670 569214516 /nfs/dbraw/zinc/21/45/16/569214516.db2.gz FFAGWSAIVUCHFQ-LJQANCHMSA-N 0 0 434.473 4.407 50 0 IIAARN CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1n1oc(=O)n(-c2cccc(Cl)c2)c1=O ZINC000002262028 569215944 /nfs/dbraw/zinc/21/59/44/569215944.db2.gz AGJCTQLUOZAVAK-INIZCTEOSA-N 0 0 447.969 4.057 50 0 IIAARN COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCCO4)c1 ZINC000010433651 569217179 /nfs/dbraw/zinc/21/71/79/569217179.db2.gz CZGMTJCNYYHIRV-UHFFFAOYSA-N 0 0 427.456 4.061 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(N)=O)n(Cc4ccccc4)c(=O)c32)C1 ZINC000002271543 569217543 /nfs/dbraw/zinc/21/75/43/569217543.db2.gz RZBPXRYGGKPIQK-OAHLLOKOSA-N 0 0 441.622 4.235 50 0 IIAARN CC[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)OC ZINC000001135191 569256484 /nfs/dbraw/zinc/25/64/84/569256484.db2.gz LBDNUGYUWMXUKV-JCGIZDLHSA-N 0 0 431.282 4.150 50 0 IIAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000027527363 569263108 /nfs/dbraw/zinc/26/31/08/569263108.db2.gz WZGDBFKOWWZYLW-UHFFFAOYSA-N 0 0 438.256 4.349 50 0 IIAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000027528283 569263609 /nfs/dbraw/zinc/26/36/09/569263609.db2.gz IEAIQPZRIADJEC-JOCHJYFZSA-N 0 0 434.496 4.108 50 0 IIAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000027532464 569266654 /nfs/dbraw/zinc/26/66/54/569266654.db2.gz SLGBNSAKNIBCKQ-YBEGLDIGSA-N 0 0 432.885 4.105 50 0 IIAARN COc1ccc(Br)c(NC(=O)NC[C@H](NCc2ccccc2)C(F)(F)F)c1 ZINC000253424438 569267090 /nfs/dbraw/zinc/26/70/90/569267090.db2.gz GADWWFWJLIFKEZ-INIZCTEOSA-N 0 0 446.267 4.300 50 0 IIAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC(C(F)(F)F)C3)c2c1C ZINC000253428405 569267623 /nfs/dbraw/zinc/26/76/23/569267623.db2.gz JQCLRHYKIROELO-UHFFFAOYSA-N 0 0 442.507 4.161 50 0 IIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000002294482 569268152 /nfs/dbraw/zinc/26/81/52/569268152.db2.gz YECVGZQZAFZQBO-UHFFFAOYSA-N 0 0 441.890 4.475 50 0 IIAARN O=C1C[C@H](N(Cc2ccco2)C(=S)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002295339 569268179 /nfs/dbraw/zinc/26/81/79/569268179.db2.gz NUOLLMDCJBVLOQ-IBGZPJMESA-N 0 0 439.924 4.464 50 0 IIAARN CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccc(F)cc1Cl ZINC000253432662 569269155 /nfs/dbraw/zinc/26/91/55/569269155.db2.gz MGZLTPZCUXMMEG-IBGZPJMESA-N 0 0 437.924 4.328 50 0 IIAARN CCOC(=O)[C@]1(C)C(Br)=C(Nc2ccc(C)cc2)C(=O)N1c1ccccc1 ZINC000002304348 569271529 /nfs/dbraw/zinc/27/15/29/569271529.db2.gz NGCBIWKJTQYGIM-NRFANRHFSA-N 0 0 429.314 4.382 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccccc1OC)C(F)(F)F ZINC000002306091 569271678 /nfs/dbraw/zinc/27/16/78/569271678.db2.gz GBJFPNHQWALXFX-SFHVURJKSA-N 0 0 430.810 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ZINC000020895900 569375017 /nfs/dbraw/zinc/37/50/17/569375017.db2.gz ZUELRPWJICMQJI-HXUWFJFHSA-N 0 0 447.944 4.107 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2ccc(Cl)c(C)c2)S1 ZINC000020896170 569375099 /nfs/dbraw/zinc/37/50/99/569375099.db2.gz UNDMVBPZWXMXAV-HXUWFJFHSA-N 0 0 447.944 4.107 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945183 569375830 /nfs/dbraw/zinc/37/58/30/569375830.db2.gz ZKPOLUUNCVLHAO-QFIPXVFZSA-N 0 0 440.496 4.383 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)CCn1nnc2ccccc2c1=O ZINC000095960720 569377156 /nfs/dbraw/zinc/37/71/56/569377156.db2.gz USHFRXRCTBYGKI-MRXNPFEDSA-N 0 0 434.521 4.226 50 0 IIAARN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000095996435 569378800 /nfs/dbraw/zinc/37/88/00/569378800.db2.gz CTRMFLYMYBUASV-HNNXBMFYSA-N 0 0 439.493 4.099 50 0 IIAARN C[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)nc1)c1nc2cc(Br)cnc2[nH]1 ZINC000096004173 569379249 /nfs/dbraw/zinc/37/92/49/569379249.db2.gz XUPITMRBFNQLOC-CYBMUJFWSA-N 0 0 444.333 4.270 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096671 569381330 /nfs/dbraw/zinc/38/13/30/569381330.db2.gz DIBLNPKDYWIGSN-UHFFFAOYSA-N 0 0 427.910 4.159 50 0 IIAARN O=C(COc1ccc2ccccc2c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096954 569381350 /nfs/dbraw/zinc/38/13/50/569381350.db2.gz HSAYHLCERRWLSJ-UHFFFAOYSA-N 0 0 441.325 4.446 50 0 IIAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099902 569381839 /nfs/dbraw/zinc/38/18/39/569381839.db2.gz DUVYIALOUWQDDD-UHFFFAOYSA-N 0 0 427.580 4.286 50 0 IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2cccc(C)c2)cc(=O)c1O ZINC000096114242 569382650 /nfs/dbraw/zinc/38/26/50/569382650.db2.gz DLDGSMNFXZURAR-IBGZPJMESA-N 0 0 426.490 4.347 50 0 biogenic IIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 ZINC000096114174 569382682 /nfs/dbraw/zinc/38/26/82/569382682.db2.gz BGOSAFQUSLTLCB-REWPJTCUSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2)cc1 ZINC000096114534 569382889 /nfs/dbraw/zinc/38/28/89/569382889.db2.gz IJUVEXNJNLIRLS-ZJSXRUAMSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN O=C(CCCCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096117001 569383973 /nfs/dbraw/zinc/38/39/73/569383973.db2.gz RPBAXCSNSXYLRK-GOSISDBHSA-N 0 0 439.947 4.095 50 0 IIAARN O=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccccc2Br)s1 ZINC000096119852 569384793 /nfs/dbraw/zinc/38/47/93/569384793.db2.gz ZGHIAPUQFZPSRT-UHFFFAOYSA-N 0 0 442.381 4.282 50 0 IIAARN O=C(c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)s1)c1ccccc1 ZINC000096119888 569384800 /nfs/dbraw/zinc/38/48/00/569384800.db2.gz RZJUYJPGZLTMJA-UHFFFAOYSA-N 0 0 436.352 4.220 50 0 IIAARN COc1cccc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)ncn3)CC2)c1 ZINC000096124033 569385403 /nfs/dbraw/zinc/38/54/03/569385403.db2.gz UHJHIOYBQFOPHT-UHFFFAOYSA-N 0 0 427.508 4.284 50 0 IIAARN COCCn1c2cnccc2nc1[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000096125430 569385637 /nfs/dbraw/zinc/38/56/37/569385637.db2.gz QRRBIWXQMVSQIX-ZDUSSCGKSA-N 0 0 434.327 4.406 50 0 IIAARN COCCn1c2cnccc2nc1[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000096125429 569385657 /nfs/dbraw/zinc/38/56/57/569385657.db2.gz QRRBIWXQMVSQIX-CYBMUJFWSA-N 0 0 434.327 4.406 50 0 IIAARN Cc1nc(COc2cccc(/C=C\C(=O)NCCCc3nc(CC(C)C)no3)c2)cs1 ZINC000096134014 569385888 /nfs/dbraw/zinc/38/58/88/569385888.db2.gz RJZWMMQKBSNKSF-KTKRTIGZSA-N 0 0 440.569 4.374 50 0 IIAARN COc1ccc(C2(C(=O)N[C@@H]3CCCc4c5cc(OC)ccc5[nH]c43)CCOCC2)cc1 ZINC000096221441 569386939 /nfs/dbraw/zinc/38/69/39/569386939.db2.gz WWRVNQRHFJZGMW-HSZRJFAPSA-N 0 0 434.536 4.427 50 0 biogenic IIAARN COc1cc(-c2noc(CCN(CC(C)C)C(=O)c3ccccc3)n2)cc(OC)c1OC ZINC000096276056 569388403 /nfs/dbraw/zinc/38/84/03/569388403.db2.gz KKRGQXYIPUFHSX-UHFFFAOYSA-N 0 0 439.512 4.103 50 0 IIAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)C4CC4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096278691 569389107 /nfs/dbraw/zinc/38/91/07/569389107.db2.gz BTOPNILDMRTGCX-UHFFFAOYSA-N 0 0 444.579 4.124 50 0 IIAARN O=C(c1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000096278723 569389234 /nfs/dbraw/zinc/38/92/34/569389234.db2.gz QKRQQLNSGUOLCZ-UHFFFAOYSA-N 0 0 427.460 4.350 50 0 IIAARN CCCCNC(=O)N1C[C@@H](C(=O)NCCc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000096280537 569389707 /nfs/dbraw/zinc/38/97/07/569389707.db2.gz LVXCNKXVYNVAJN-LADGPHEKSA-N 0 0 437.584 4.317 50 0 IIAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2)c(=O)n1C1CCCCC1 ZINC000096281309 569389948 /nfs/dbraw/zinc/38/99/48/569389948.db2.gz OFNVXSNNKPKYHF-UHFFFAOYSA-N 0 0 436.462 4.181 50 0 IIAARN Cc1ccc(F)c([C@@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096290553 569390867 /nfs/dbraw/zinc/39/08/67/569390867.db2.gz UIQCNNUTILFNTB-GOSISDBHSA-N 0 0 443.950 4.239 50 0 IIAARN COC[C@H](C)n1c(SCc2ccc(C(=O)NCc3ccco3)cc2)nnc1C(C)C ZINC000096290675 569390993 /nfs/dbraw/zinc/39/09/93/569390993.db2.gz ATCIDWCZSPCKCH-INIZCTEOSA-N 0 0 428.558 4.424 50 0 IIAARN COc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)c1 ZINC000096292878 569391341 /nfs/dbraw/zinc/39/13/41/569391341.db2.gz YQSHVOAAGCIVNI-QHCPKHFHSA-N 0 0 443.503 4.362 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000096295706 569391927 /nfs/dbraw/zinc/39/19/27/569391927.db2.gz BFNZJMMKTNKZMB-VXNXHJTFSA-N 0 0 444.487 4.063 50 0 IIAARN COc1ccc(C2=N/C(=C\c3c(C)nn(Cc4ccc(F)cc4)c3Cl)C(=O)O2)cc1 ZINC000096313918 569392579 /nfs/dbraw/zinc/39/25/79/569392579.db2.gz XHMVLDWLKQBBNK-ODLFYWEKSA-N 0 0 425.847 4.385 50 0 IIAARN COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)Nc2ncccc2OCC2CCCCC2)cc1 ZINC000096315678 569392712 /nfs/dbraw/zinc/39/27/12/569392712.db2.gz YZILNGDPNWLEQP-NZHZHZHDSA-N 0 0 437.540 4.206 50 0 IIAARN CCNC(=O)N1CCN(c2nc([C@@H](C)CC)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000096316779 569392838 /nfs/dbraw/zinc/39/28/38/569392838.db2.gz NTSIPWVSEGRZRI-KRWDZBQOSA-N 0 0 427.568 4.134 50 0 IIAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1c(F)cccc1Cl ZINC000096317352 569393290 /nfs/dbraw/zinc/39/32/90/569393290.db2.gz HCDWUJYFCXCMSS-UHFFFAOYSA-N 0 0 428.939 4.104 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCCc3ccccc3)c4=O)n2)c1 ZINC000096320198 569394010 /nfs/dbraw/zinc/39/40/10/569394010.db2.gz SDFCOIXYKCWWFD-UHFFFAOYSA-N 0 0 438.487 4.348 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1cccc(Cl)c1 ZINC000096320208 569394021 /nfs/dbraw/zinc/39/40/21/569394021.db2.gz LCEUZEHDIGBTCS-UHFFFAOYSA-N 0 0 430.851 4.109 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3cccc(Cl)c3)c4=O)n2)c1 ZINC000096320209 569394077 /nfs/dbraw/zinc/39/40/77/569394077.db2.gz IIGFCOOGGNTDIP-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN CCOc1cccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)c1 ZINC000096322284 569394495 /nfs/dbraw/zinc/39/44/95/569394495.db2.gz ROAMESPDYFZHGP-UHFFFAOYSA-N 0 0 441.491 4.277 50 0 IIAARN Cc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000096322348 569394591 /nfs/dbraw/zinc/39/45/91/569394591.db2.gz VTOKDTDVADQZEC-UHFFFAOYSA-N 0 0 438.535 4.218 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c(OC)c1 ZINC000096323119 569395113 /nfs/dbraw/zinc/39/51/13/569395113.db2.gz NXCUMGDRWHGGBT-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)on1 ZINC000096323467 569395405 /nfs/dbraw/zinc/39/54/05/569395405.db2.gz HLOZENAESBVGBH-UHFFFAOYSA-N 0 0 431.583 4.148 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1=O ZINC000096372435 569397862 /nfs/dbraw/zinc/39/78/62/569397862.db2.gz VHDBPQSQOQSWGL-UHFFFAOYSA-N 0 0 430.895 4.280 50 0 IIAARN O=C(Nc1cccc(-c2nccnc2N2CCOCC2)c1)Nc1ccc(F)c(Cl)c1 ZINC000096386628 569398661 /nfs/dbraw/zinc/39/86/61/569398661.db2.gz GQAUABUZUFBBCP-UHFFFAOYSA-N 0 0 427.867 4.417 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2c(C)oc3ccn(Cc4cccc(F)c4)c(=O)c32)c1 ZINC000096396493 569399095 /nfs/dbraw/zinc/39/90/95/569399095.db2.gz ASBZIGKIAHUGID-UHFFFAOYSA-N 0 0 436.439 4.360 50 0 IIAARN COc1ccc(NC(=O)c2c(C)oc3ccn(Cc4cccc(F)c4)c(=O)c32)c(OC)c1 ZINC000096396506 569399113 /nfs/dbraw/zinc/39/91/13/569399113.db2.gz KOUPARANQOQNMW-UHFFFAOYSA-N 0 0 436.439 4.360 50 0 IIAARN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NCc1cc(F)cc(F)c1 ZINC000096396502 569399150 /nfs/dbraw/zinc/39/91/50/569399150.db2.gz PXMUAPAKHMAOLH-UHFFFAOYSA-N 0 0 426.394 4.299 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 ZINC000096399509 569400198 /nfs/dbraw/zinc/40/01/98/569400198.db2.gz CUCPPMKOZFLKSH-CYBMUJFWSA-N 0 0 449.623 4.200 50 0 IIAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000021860983 569400919 /nfs/dbraw/zinc/40/09/19/569400919.db2.gz JEFONCHIOQBSRJ-YOPMBXEFSA-N 0 0 444.579 4.454 50 0 IIAARN O=C1S/C(=C\c2cccc(I)c2)C(=O)N1CNc1ccccc1 ZINC000096592355 569401890 /nfs/dbraw/zinc/40/18/90/569401890.db2.gz CFYPODSATIYHFL-GDNBJRDFSA-N 0 0 436.274 4.397 50 0 IIAARN O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccc(Br)o1 ZINC000027916957 569403638 /nfs/dbraw/zinc/40/36/38/569403638.db2.gz UDZLQHCZZRCLPW-UHFFFAOYSA-N 0 0 443.070 4.441 50 0 IIAARN 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O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000058045668 569445898 /nfs/dbraw/zinc/44/58/98/569445898.db2.gz RLLAGFLGMTULKG-UHFFFAOYSA-N 0 0 427.444 4.439 50 0 IIAARN Cc1cc(C)c(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c(C)c1 ZINC000003325986 569446219 /nfs/dbraw/zinc/44/62/19/569446219.db2.gz UKKKLBHNODEATH-HXUWFJFHSA-N 0 0 435.545 4.441 50 0 IIAARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 ZINC000003330069 569446384 /nfs/dbraw/zinc/44/63/84/569446384.db2.gz GHHQAAMZXKQJPY-KRWDZBQOSA-N 0 0 442.471 4.302 50 0 IIAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000003342232 569446946 /nfs/dbraw/zinc/44/69/46/569446946.db2.gz FVIRTBSBAIKILS-UHFFFAOYSA-N 0 0 447.004 4.485 50 0 IIAARN C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000003347366 569447195 /nfs/dbraw/zinc/44/71/95/569447195.db2.gz LUFOZQXWWAPLHI-QGZVFWFLSA-N 0 0 444.560 4.497 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1 ZINC000003354714 569447589 /nfs/dbraw/zinc/44/75/89/569447589.db2.gz RUUPNTCHAPPTQM-UHFFFAOYSA-N 0 0 439.562 4.270 50 0 IIAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000058110952 569447832 /nfs/dbraw/zinc/44/78/32/569447832.db2.gz VCPDSVRXSIDPCD-IBGZPJMESA-N 0 0 435.549 4.336 50 0 IIAARN COc1ccccc1[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1nccn1C ZINC000058138520 569448427 /nfs/dbraw/zinc/44/84/27/569448427.db2.gz MMCJJPKBCAAAIP-JOCHJYFZSA-N 0 0 430.533 4.494 50 0 IIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCC[C@H](C(F)(F)F)C3)C2=O)cc1C ZINC000058166140 569449440 /nfs/dbraw/zinc/44/94/40/569449440.db2.gz AKBHKLSVSJASLF-NZQKXSOJSA-N 0 0 445.485 4.331 50 0 IIAARN Cc1ccc(-n2c(Sc3nnnn3-c3ccccc3)nc3ccccc3c2=O)c(C)c1 ZINC000003399410 569449569 /nfs/dbraw/zinc/44/95/69/569449569.db2.gz SJNJYMDHXIUGJE-UHFFFAOYSA-N 0 0 426.505 4.129 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc3nc(C)cc(C)n32)c2ccccc2)c1 ZINC000003404207 569449900 /nfs/dbraw/zinc/44/99/00/569449900.db2.gz ZVVSWGGYTSMSCR-HXUWFJFHSA-N 0 0 431.521 4.416 50 0 IIAARN CCc1sc2nc(SCC(=O)N3CCCC3)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000003412437 569450088 /nfs/dbraw/zinc/45/00/88/569450088.db2.gz SMTNHSQDDLUDIT-UHFFFAOYSA-N 0 0 443.594 4.041 50 0 IIAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(SCc2ccccc2)ns1 ZINC000003413413 569450140 /nfs/dbraw/zinc/45/01/40/569450140.db2.gz MPDANYSYVJECHC-UHFFFAOYSA-N 0 0 426.523 4.157 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000003418183 569450319 /nfs/dbraw/zinc/45/03/19/569450319.db2.gz GMZDUWNXINQNRL-UHFFFAOYSA-N 0 0 435.911 4.080 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 ZINC000003421280 569450437 /nfs/dbraw/zinc/45/04/37/569450437.db2.gz OYBWYPRRNYFOEQ-UHFFFAOYSA-N 0 0 447.516 4.134 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)Cc2ccccc2)cc1 ZINC000003425998 569450523 /nfs/dbraw/zinc/45/05/23/569450523.db2.gz WSJWRRAFOHBAQG-FQEVSTJZSA-N 0 0 434.561 4.164 50 0 IIAARN Cc1ccc(-n2c(S[C@@H](C)C(N)=O)nc3sc4c(c3c2=O)CCCC4)cc1Cl ZINC000003428382 569450682 /nfs/dbraw/zinc/45/06/82/569450682.db2.gz YVGKLAFUEIQTCD-NSHDSACASA-N 0 0 433.986 4.254 50 0 IIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000030987995 569452070 /nfs/dbraw/zinc/45/20/70/569452070.db2.gz SBDRTVHQZZJOBM-FPOVZHCZSA-N 0 0 427.504 4.439 50 0 IIAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000030998199 569452249 /nfs/dbraw/zinc/45/22/49/569452249.db2.gz JEFXAUDIGJBMRQ-HSZRJFAPSA-N 0 0 440.590 4.021 50 0 IIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003480833 569452333 /nfs/dbraw/zinc/45/23/33/569452333.db2.gz FNUQRHZDRGVPOS-UHFFFAOYSA-N 0 0 427.551 4.237 50 0 IIAARN COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2)cc1Cl ZINC000003497164 569452666 /nfs/dbraw/zinc/45/26/66/569452666.db2.gz JXQJBXGROFGCRH-UHFFFAOYSA-N 0 0 428.945 4.311 50 0 IIAARN COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000003500440 569452825 /nfs/dbraw/zinc/45/28/25/569452825.db2.gz NRZLWZKFQBPEQC-LLVKDONJSA-N 0 0 430.511 4.138 50 0 IIAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000031041785 569452876 /nfs/dbraw/zinc/45/28/76/569452876.db2.gz WZXXHDCYWAJDPA-UHFFFAOYSA-N 0 0 447.564 4.116 50 0 IIAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000003513562 569453018 /nfs/dbraw/zinc/45/30/18/569453018.db2.gz WKLRTTZXFQJVSL-UHFFFAOYSA-N 0 0 433.891 4.313 50 0 IIAARN O=C(COc1ccc(Br)cc1Br)NCCCc1ccccc1 ZINC000003515834 569453120 /nfs/dbraw/zinc/45/31/20/569453120.db2.gz ILDGCXSOZKCZDB-UHFFFAOYSA-N 0 0 427.136 4.339 50 0 IIAARN CCc1sc2nc(SCC(=O)NC3CC3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000003520417 569453248 /nfs/dbraw/zinc/45/32/48/569453248.db2.gz QRSUOZPIRWHDFS-UHFFFAOYSA-N 0 0 427.595 4.056 50 0 IIAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000003530069 569453332 /nfs/dbraw/zinc/45/33/32/569453332.db2.gz HMMVNFKUHXOYQQ-UHFFFAOYSA-N 0 0 438.439 4.272 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003549960 569453718 /nfs/dbraw/zinc/45/37/18/569453718.db2.gz RXQUYJGVMSPZLL-HXUWFJFHSA-N 0 0 434.879 4.195 50 0 IIAARN CC[C@@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000003548798 569453743 /nfs/dbraw/zinc/45/37/43/569453743.db2.gz NSEZQGMZANYBEN-FQEVSTJZSA-N 0 0 435.597 4.021 50 0 IIAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000031177690 569454428 /nfs/dbraw/zinc/45/44/28/569454428.db2.gz FBVFBBLWVIWNOP-SQJMNOBHSA-N 0 0 446.522 4.431 50 0 IIAARN COc1ccc(-c2csc(C)n2)cc1CC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000031195414 569454669 /nfs/dbraw/zinc/45/46/69/569454669.db2.gz QVTVKXHHLLUEHT-UHFFFAOYSA-N 0 0 449.576 4.220 50 0 IIAARN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O)N1CCc2ccccc2C1 ZINC000003630236 569455226 /nfs/dbraw/zinc/45/52/26/569455226.db2.gz AMMIXTLSCHLYDL-UHFFFAOYSA-N 0 0 431.492 4.012 50 0 IIAARN COc1ccc([C@@H]2Sc3nncn3N2Cc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000003635517 569455489 /nfs/dbraw/zinc/45/54/89/569455489.db2.gz LSDVWJAABVPMQC-QHCPKHFHSA-N 0 0 428.517 4.460 50 0 IIAARN Cc1ccccc1C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003653725 569455671 /nfs/dbraw/zinc/45/56/71/569455671.db2.gz ABFLMBPDBKEQKY-UHFFFAOYSA-N 0 0 443.477 4.338 50 0 IIAARN CN(CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)S(=O)(=O)c1cccs1 ZINC000031392901 569456281 /nfs/dbraw/zinc/45/62/81/569456281.db2.gz DCOXGWYLHYKLCA-MRXNPFEDSA-N 0 0 449.623 4.122 50 0 IIAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000031903658 569458332 /nfs/dbraw/zinc/45/83/32/569458332.db2.gz SZKMQAXGDBBRGE-IBGZPJMESA-N 0 0 448.567 4.214 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)s2)cc1F ZINC000031956012 569458500 /nfs/dbraw/zinc/45/85/00/569458500.db2.gz KXITXXIDBLJHTJ-UHFFFAOYSA-N 0 0 425.485 4.084 50 0 IIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 ZINC000004064456 569458501 /nfs/dbraw/zinc/45/85/01/569458501.db2.gz ISANWGVGUDGPST-OPHFCASCSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1Oc1ccc(Br)cc1 ZINC000032050581 569459021 /nfs/dbraw/zinc/45/90/21/569459021.db2.gz ZQVLAVCHUHPLEY-UHFFFAOYSA-N 0 0 425.242 4.058 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032074120 569459343 /nfs/dbraw/zinc/45/93/43/569459343.db2.gz NQYILQSSAWELKN-UHFFFAOYSA-N 0 0 437.565 4.147 50 0 IIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2cccc(OC)c2OCC(C)C)nn1 ZINC000032089865 569459530 /nfs/dbraw/zinc/45/95/30/569459530.db2.gz KQEBRCPCXHGXQX-INIZCTEOSA-N 0 0 437.500 4.146 50 0 IIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3Br)nn1C)C2 ZINC000032090612 569459597 /nfs/dbraw/zinc/45/95/97/569459597.db2.gz WFZQMZJDSITVEQ-UHFFFAOYSA-N 0 0 428.286 4.023 50 0 IIAARN COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccc(Br)cc3)o1)C2 ZINC000032092654 569459631 /nfs/dbraw/zinc/45/96/31/569459631.db2.gz MGOPVIYNMBMFME-MRXNPFEDSA-N 0 0 447.310 4.416 50 0 IIAARN CN1c2cc(F)ccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)C1=O ZINC000032096696 569459884 /nfs/dbraw/zinc/45/98/84/569459884.db2.gz BSSSZMWXAHBZLT-HXUWFJFHSA-N 0 0 446.360 4.164 50 0 IIAARN Cc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@H](COCC(C)C)OC3=O)C(=O)O2)cs1 ZINC000004142182 569460408 /nfs/dbraw/zinc/46/04/08/569460408.db2.gz BJQVQKRYZUYLGC-UZFJHSOTSA-N 0 0 444.553 4.332 50 0 IIAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccnc1Oc1ccc(Br)cc1 ZINC000032160992 569460571 /nfs/dbraw/zinc/46/05/71/569460571.db2.gz CUQHNCWWHGTHDC-UHFFFAOYSA-N 0 0 426.226 4.323 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(F)cc3)c4=O)n2)cc1C ZINC000038487735 569462938 /nfs/dbraw/zinc/46/29/38/569462938.db2.gz YWDLUHRXLPBAFS-UHFFFAOYSA-N 0 0 442.450 4.211 50 0 IIAARN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1OC ZINC000038546162 569463507 /nfs/dbraw/zinc/46/35/07/569463507.db2.gz MIURWDJOBPOVJR-NRFANRHFSA-N 0 0 442.537 4.341 50 0 IIAARN CN1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546505 569463578 /nfs/dbraw/zinc/46/35/78/569463578.db2.gz MASUISPGTIMYJV-JOCHJYFZSA-N 0 0 436.581 4.204 50 0 IIAARN COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCN(C)CC1 ZINC000038546405 569463617 /nfs/dbraw/zinc/46/36/17/569463617.db2.gz LXVAQKXUCZKVGG-NRFANRHFSA-N 0 0 425.554 4.247 50 0 IIAARN O=C1C[C@@H](N2CCCCCCC2)C(=O)N1c1ccc(Br)cc1Br ZINC000008425012 569464152 /nfs/dbraw/zinc/46/41/52/569464152.db2.gz ZMRCFTDVICEOQN-OAHLLOKOSA-N 0 0 444.167 4.110 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 ZINC000008435639 569464308 /nfs/dbraw/zinc/46/43/08/569464308.db2.gz KLWOMOQOMBBOLK-CQSZACIVSA-N 0 0 443.960 4.403 50 0 IIAARN CCn1c(CCCc2ccc(OC)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000067189946 569464344 /nfs/dbraw/zinc/46/43/44/569464344.db2.gz SVSNRHRWVVPIOQ-UHFFFAOYSA-N 0 0 435.553 4.011 50 0 IIAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000067192359 569464417 /nfs/dbraw/zinc/46/44/17/569464417.db2.gz GIHUQXXVKDENDO-UHFFFAOYSA-N 0 0 427.917 4.059 50 0 IIAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000067209317 569464827 /nfs/dbraw/zinc/46/48/27/569464827.db2.gz BYVHBVHOFAFGKK-UHFFFAOYSA-N 0 0 433.558 4.437 50 0 IIAARN Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c21 ZINC000067235692 569465389 /nfs/dbraw/zinc/46/53/89/569465389.db2.gz AEMVUJFFYBVFGJ-UHFFFAOYSA-N 0 0 427.291 4.348 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3C)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236409 569465429 /nfs/dbraw/zinc/46/54/29/569465429.db2.gz MBMDHEYLQSYYFQ-UHFFFAOYSA-N 0 0 442.928 4.367 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccccc1Cl ZINC000038652304 569465740 /nfs/dbraw/zinc/46/57/40/569465740.db2.gz YYKXMOQNPICLCU-UHFFFAOYSA-N 0 0 430.851 4.109 50 0 IIAARN O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1C(F)(F)F ZINC000067257970 569466157 /nfs/dbraw/zinc/46/61/57/569466157.db2.gz HQZXDDUMIAQORF-UHFFFAOYSA-N 0 0 449.230 4.412 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(F)c(F)c5)c(=O)n4ccn3n2)cc1 ZINC000067260542 569466389 /nfs/dbraw/zinc/46/63/89/569466389.db2.gz XISWXKFEAMUFMF-UHFFFAOYSA-N 0 0 449.461 4.316 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 ZINC000067260942 569466467 /nfs/dbraw/zinc/46/64/67/569466467.db2.gz XKUKWBVRFCEPSA-LJQANCHMSA-N 0 0 444.535 4.056 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 ZINC000067292377 569467769 /nfs/dbraw/zinc/46/77/69/569467769.db2.gz FJSSDQGRLCJUFP-PVCXERSVSA-N 0 0 445.288 4.476 50 0 IIAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc(OC)c1 ZINC000067292830 569467771 /nfs/dbraw/zinc/46/77/71/569467771.db2.gz KFNZNYSRSAZLIF-PIHGLKBESA-N 0 0 442.899 4.245 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(Cl)c3F)oc21 ZINC000067293977 569467852 /nfs/dbraw/zinc/46/78/52/569467852.db2.gz HQHNAMVFWFWFEG-OEFZRUIQSA-N 0 0 430.863 4.375 50 0 IIAARN CCOC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)c1 ZINC000067298989 569468075 /nfs/dbraw/zinc/46/80/75/569468075.db2.gz CZBOSRKTLPILJO-PNHLSOANSA-N 0 0 446.459 4.374 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)cc1Cl ZINC000067301531 569468307 /nfs/dbraw/zinc/46/83/07/569468307.db2.gz HUERLZRYLVKISO-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)NCc3ccc(C(C)C)cc3)c2c(=O)n1CC(C)C ZINC000067320183 569468608 /nfs/dbraw/zinc/46/86/08/569468608.db2.gz HTHNOUWCHWOUQO-UHFFFAOYSA-N 0 0 440.613 4.324 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1cccc(Cl)c1 ZINC000067322286 569468675 /nfs/dbraw/zinc/46/86/75/569468675.db2.gz RJPVNJAUOIYRKX-UHFFFAOYSA-N 0 0 438.702 4.438 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1ccc(Cl)cc1 ZINC000067322454 569468691 /nfs/dbraw/zinc/46/86/91/569468691.db2.gz OBDNFQZSMBTCNW-UHFFFAOYSA-N 0 0 437.809 4.150 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067323139 569468705 /nfs/dbraw/zinc/46/87/05/569468705.db2.gz NICNVWNUDXDURK-UHFFFAOYSA-N 0 0 436.274 4.232 50 0 IIAARN CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 ZINC000067322684 569468744 /nfs/dbraw/zinc/46/87/44/569468744.db2.gz LRCGGDUDLZUXOM-UHFFFAOYSA-N 0 0 449.458 4.218 50 0 IIAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)cc1 ZINC000067341517 569469082 /nfs/dbraw/zinc/46/90/82/569469082.db2.gz MRRVGIRYJNLVHL-UHFFFAOYSA-N 0 0 446.850 4.058 50 0 IIAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1 ZINC000008643820 569469613 /nfs/dbraw/zinc/46/96/13/569469613.db2.gz RFBLVMVMTRMEHL-LJQANCHMSA-N 0 0 439.821 4.073 50 0 IIAARN C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008709121 569470719 /nfs/dbraw/zinc/47/07/19/569470719.db2.gz OQDIYAKDGWXFRS-INIZCTEOSA-N 0 0 432.553 4.347 50 0 IIAARN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3nc(-c4ccc(C)cc4)cs3)C2)cc1 ZINC000008715683 569471042 /nfs/dbraw/zinc/47/10/42/569471042.db2.gz YUKGQEMGJDWCNS-IBGZPJMESA-N 0 0 434.517 4.206 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000008712365 569471064 /nfs/dbraw/zinc/47/10/64/569471064.db2.gz HXSDVXWNBLHPAO-UHFFFAOYSA-N 0 0 432.835 4.458 50 0 IIAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCCSc1ccccc1 ZINC000008719628 569471448 /nfs/dbraw/zinc/47/14/48/569471448.db2.gz KSCCADMCWTXCTO-UHFFFAOYSA-N 0 0 439.537 4.173 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)ccc1F ZINC000008720298 569471589 /nfs/dbraw/zinc/47/15/89/569471589.db2.gz DWISEBGVFDKJSS-UHFFFAOYSA-N 0 0 438.524 4.397 50 0 IIAARN Cc1ccc(CN(C)C(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)o1 ZINC000008735156 569472587 /nfs/dbraw/zinc/47/25/87/569472587.db2.gz MQJNLGYODBLIGZ-UHFFFAOYSA-N 0 0 429.520 4.132 50 0 IIAARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000008748121 569473142 /nfs/dbraw/zinc/47/31/42/569473142.db2.gz WHSZYNIQNNSNLN-AWEZNQCLSA-N 0 0 434.300 4.436 50 0 IIAARN CN(Cc1ccc(Cl)s1)C(=O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000008748999 569473193 /nfs/dbraw/zinc/47/31/93/569473193.db2.gz QCVZRRNBSYJYOB-UHFFFAOYSA-N 0 0 428.941 4.369 50 0 IIAARN COc1ccccc1-n1c(=O)c(C(=O)Nc2ccccc2F)cc2c1CC(C)(C)CC2=O ZINC000008757270 569474116 /nfs/dbraw/zinc/47/41/16/569474116.db2.gz WEOODVDMPNAFKP-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN COc1ccccc1-n1c(=O)c(C(=O)Nc2cccc(F)c2)cc2c1CC(C)(C)CC2=O ZINC000008757266 569474123 /nfs/dbraw/zinc/47/41/23/569474123.db2.gz SVVADBUFKHYEJO-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN CC(C)(C)c1cc(O)c2oc(=O)c(S(=O)(=O)c3ccc(Br)cc3)cc2c1 ZINC000008757009 569474151 /nfs/dbraw/zinc/47/41/51/569474151.db2.gz WHQNLEMRRZVIJH-UHFFFAOYSA-N 0 0 437.311 4.391 50 0 IIAARN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000008766761 569474881 /nfs/dbraw/zinc/47/48/81/569474881.db2.gz SDAQSDOVULMKFE-UHFFFAOYSA-N 0 0 439.560 4.182 50 0 IIAARN COC[C@H](C)n1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000008769441 569475052 /nfs/dbraw/zinc/47/50/52/569475052.db2.gz NUSWWWSITRBUBX-LAUBAEHRSA-N 0 0 437.565 4.060 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)n2C)c1 ZINC000008772531 569475283 /nfs/dbraw/zinc/47/52/83/569475283.db2.gz AAAVZPZGJBGNBT-UHFFFAOYSA-N 0 0 448.552 4.024 50 0 IIAARN COc1cc(C)c(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1OC ZINC000008777476 569475398 /nfs/dbraw/zinc/47/53/98/569475398.db2.gz JNIIMXSGFFGARU-AREMUKBSSA-N 0 0 430.504 4.202 50 0 IIAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)ccc12 ZINC000008789083 569475852 /nfs/dbraw/zinc/47/58/52/569475852.db2.gz XFWOLJATVCQZLU-HXUWFJFHSA-N 0 0 435.476 4.425 50 0 biogenic IIAARN CCOc1cc2c(cc1[C@@H]1C=C3c4cc(OC)c(OC)cc4CCN3C(=O)C1)O[C@@H](C)C2 ZINC000008790923 569476154 /nfs/dbraw/zinc/47/61/54/569476154.db2.gz UICXHDZYLYRUPS-DOTOQJQBSA-N 0 0 435.520 4.339 50 0 biogenic IIAARN CC(=O)c1cccc(NC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)c1 ZINC000008791436 569476204 /nfs/dbraw/zinc/47/62/04/569476204.db2.gz AIRRERQJMOIQNW-UHFFFAOYSA-N 0 0 435.476 4.425 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccccc1C(N)=O)oc1c3CCCC1 ZINC000008791516 569476252 /nfs/dbraw/zinc/47/62/52/569476252.db2.gz BYPRAORHLWKVNJ-UHFFFAOYSA-N 0 0 444.487 4.397 50 0 biogenic IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000008825874 569477490 /nfs/dbraw/zinc/47/74/90/569477490.db2.gz CIUOBVVSDCHPSE-UHFFFAOYSA-N 0 0 426.314 4.259 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)NC[C@H]1CCCO1 ZINC000008826405 569477556 /nfs/dbraw/zinc/47/75/56/569477556.db2.gz SNDNZYRHPLBKFK-CQSZACIVSA-N 0 0 446.935 4.114 50 0 IIAARN O=C(CSc1nc(CC(=O)NCCc2ccccc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852394 569479468 /nfs/dbraw/zinc/47/94/68/569479468.db2.gz OWYMVPDGMLKZBQ-UHFFFAOYSA-N 0 0 445.997 4.429 50 0 IIAARN COCCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 ZINC000008855971 569479753 /nfs/dbraw/zinc/47/97/53/569479753.db2.gz XZPBLGDPUZZOJB-QGZVFWFLSA-N 0 0 438.553 4.222 50 0 IIAARN O=C(COc1cccc(Cl)c1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008869870 569480462 /nfs/dbraw/zinc/48/04/62/569480462.db2.gz MAKDEGPFAXKMID-HXUWFJFHSA-N 0 0 443.952 4.088 50 0 IIAARN CC(C)(C)c1ccc(CN(C(=O)/C=C/c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869684 569480496 /nfs/dbraw/zinc/48/04/96/569480496.db2.gz DYKQLWLXSUVQBT-MKGTUJQCSA-N 0 0 429.557 4.352 50 0 IIAARN COc1cc(C)c(CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1OC ZINC000008879545 569481341 /nfs/dbraw/zinc/48/13/41/569481341.db2.gz LUHMOSKWWPVHAO-UHFFFAOYSA-N 0 0 444.531 4.288 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCNC(=O)Nc2ccccc2)cc1 ZINC000008880156 569481444 /nfs/dbraw/zinc/48/14/44/569481444.db2.gz NLVFAPFSOJHCFQ-UHFFFAOYSA-N 0 0 432.480 4.098 50 0 IIAARN O=C(CSc1nncn1C1CC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000039539371 569481709 /nfs/dbraw/zinc/48/17/09/569481709.db2.gz MKFNTUZSKSVKTN-KRWDZBQOSA-N 0 0 433.493 4.422 50 0 IIAARN CC(C)c1nc2ccccc2c(=O)n1N(CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000039929390 569481976 /nfs/dbraw/zinc/48/19/76/569481976.db2.gz ZPKNDSKRAGAPEG-UHFFFAOYSA-N 0 0 425.488 4.181 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc(C)c(C)s2)C12CCCCC2 ZINC000039984524 569482317 /nfs/dbraw/zinc/48/23/17/569482317.db2.gz RJTAURJQAGGFMD-LJQANCHMSA-N 0 0 427.570 4.287 50 0 IIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000040023485 569482723 /nfs/dbraw/zinc/48/27/23/569482723.db2.gz SWLVKKHEAHVWHQ-IBGZPJMESA-N 0 0 441.531 4.118 50 0 IIAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000040025790 569482889 /nfs/dbraw/zinc/48/28/89/569482889.db2.gz ULXQIHZLVUTNKL-NRFANRHFSA-N 0 0 434.569 4.366 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)cc1 ZINC000008882896 569482986 /nfs/dbraw/zinc/48/29/86/569482986.db2.gz ZDALZAGAPHJAAK-UHFFFAOYSA-N 0 0 440.525 4.052 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1oc2ccccc2c1C ZINC000008882817 569482997 /nfs/dbraw/zinc/48/29/97/569482997.db2.gz DXTUWABGIIPMFK-UHFFFAOYSA-N 0 0 443.477 4.286 50 0 IIAARN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000008888708 569483289 /nfs/dbraw/zinc/48/32/89/569483289.db2.gz QDYBUMSKFPCUDC-QGZVFWFLSA-N 0 0 438.119 4.179 50 0 IIAARN CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000040034734 569483294 /nfs/dbraw/zinc/48/32/94/569483294.db2.gz ZVELJMVCOUPZGZ-CYFREDJKSA-N 0 0 438.911 4.090 50 0 IIAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ncnc2sccc21 ZINC000008898505 569483984 /nfs/dbraw/zinc/48/39/84/569483984.db2.gz IPJZOKQSHFGIBE-UHFFFAOYSA-N 0 0 431.568 4.334 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 ZINC000008900238 569484095 /nfs/dbraw/zinc/48/40/95/569484095.db2.gz AXKMXIFPWGOROR-UHFFFAOYSA-N 0 0 438.534 4.092 50 0 IIAARN O=C(Cc1noc2ccccc21)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000040050338 569484209 /nfs/dbraw/zinc/48/42/09/569484209.db2.gz DKKJUWNIJIRFCY-UHFFFAOYSA-N 0 0 439.515 4.476 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008901470 569484282 /nfs/dbraw/zinc/48/42/82/569484282.db2.gz BCJYXVAEPYBCFJ-LNLFQRSKSA-N 0 0 449.576 4.034 50 0 IIAARN Cc1nc2cc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2o1 ZINC000008901853 569484367 /nfs/dbraw/zinc/48/43/67/569484367.db2.gz YBBUBLUGTOTWJA-UHFFFAOYSA-N 0 0 441.553 4.272 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cc(F)ccc1C ZINC000008901864 569484423 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COc1ccc(C(NC(=O)c2nc(SC)ncc2Cl)c2ccc(OC)cc2)cc1 ZINC000040089128 569487063 /nfs/dbraw/zinc/48/70/63/569487063.db2.gz GMXNLAQCERRPCV-UHFFFAOYSA-N 0 0 429.929 4.389 50 0 IIAARN CCCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)C(C)=Nc2ncnn21 ZINC000008926987 569487290 /nfs/dbraw/zinc/48/72/90/569487290.db2.gz SBXPTLFYCQZXNP-GOSISDBHSA-N 0 0 449.349 4.460 50 0 IIAARN CCCCc1nc(C)c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 ZINC000040093839 569487499 /nfs/dbraw/zinc/48/74/99/569487499.db2.gz CGJCJEGTOMLGIZ-UHFFFAOYSA-N 0 0 429.542 4.014 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)Nc1ccc(F)cc1 ZINC000008933034 569487779 /nfs/dbraw/zinc/48/77/79/569487779.db2.gz NPKVNNDQDHAODS-UHFFFAOYSA-N 0 0 426.451 4.177 50 0 IIAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000008933619 569487865 /nfs/dbraw/zinc/48/78/65/569487865.db2.gz AMDSNCAHDYUUJK-QGZVFWFLSA-N 0 0 428.492 4.234 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)n1 ZINC000040110408 569488729 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4.231 50 0 IIAARN COCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021869335 523293087 /nfs/dbraw/zinc/29/30/87/523293087.db2.gz DCGGNSQWFURRLW-AREMUKBSSA-N 0 0 437.584 4.245 50 0 IIAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H](C)c1ccccc1)CO3 ZINC000020650709 523363848 /nfs/dbraw/zinc/36/38/48/523363848.db2.gz RKASBDGWRNZYJU-CQSZACIVSA-N 0 0 427.884 4.383 50 0 IIAARN CC[C@@H]1CCc2nc3oc(SCC(=O)Nc4ccon4)nc3c(C(F)(F)F)c2C1 ZINC000016475034 523373873 /nfs/dbraw/zinc/37/38/73/523373873.db2.gz SIKFMPWRFOSGEF-SECBINFHSA-N 0 0 426.420 4.475 50 0 IIAARN COc1ccc(/C=C/CN2CCOc3c(cc(-c4ccc(OC)nn4)cc3OC)C2)cc1 ZINC000012185729 523406566 /nfs/dbraw/zinc/40/65/66/523406566.db2.gz XGUJUYLIPNBOFN-SNAWJCMRSA-N 0 0 433.508 4.077 50 0 IIAARN COc1ccc(/C=C\C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000033470430 523433115 /nfs/dbraw/zinc/43/31/15/523433115.db2.gz ZETBVSYJUUNCPT-XFXZXTDPSA-N 0 0 428.554 4.139 50 0 IIAARN CN(Cc1ccco1)C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012535962 523433482 /nfs/dbraw/zinc/43/34/82/523433482.db2.gz WMFQYTKNUPGCKC-UHFFFAOYSA-N 0 0 449.326 4.115 50 0 IIAARN CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cc(C)ccc2C)n1 ZINC000020614353 523494958 /nfs/dbraw/zinc/49/49/58/523494958.db2.gz PRFDAXDOGHFJNB-UHFFFAOYSA-N 0 0 436.581 4.435 50 0 IIAARN COc1ccc(C(=O)CSc2n[nH]c(-c3ccccc3OC)n2)cc1Br ZINC000020899872 523587949 /nfs/dbraw/zinc/58/79/49/523587949.db2.gz YWJUTJPEEWSXED-UHFFFAOYSA-N 0 0 434.315 4.226 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccco2)cc1 ZINC000035961258 523600511 /nfs/dbraw/zinc/60/05/11/523600511.db2.gz IQBDIVSCDGGNEX-QHCPKHFHSA-N 0 0 445.519 4.355 50 0 IIAARN CC[C@@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035873079 523606170 /nfs/dbraw/zinc/60/61/70/523606170.db2.gz ZLAFBLKSLSSZIX-QHCPKHFHSA-N 0 0 430.504 4.404 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)C1CCC1 ZINC000035948529 523655660 /nfs/dbraw/zinc/65/56/60/523655660.db2.gz ATQKLODSEWDZJU-SFHVURJKSA-N 0 0 445.610 4.071 50 0 IIAARN CCc1[nH]c(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)c(C)c1C(=O)OC ZINC000022314446 523661313 /nfs/dbraw/zinc/66/13/13/523661313.db2.gz MQUUQCBNVMQBRJ-UHFFFAOYSA-N 0 0 444.509 4.170 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001105861 523679141 /nfs/dbraw/zinc/67/91/41/523679141.db2.gz QJCHBJQKUUFDLI-OAQYLSRUSA-N 0 0 449.894 4.345 50 0 IIAARN COCCN(CCOC)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C ZINC000021999018 523713843 /nfs/dbraw/zinc/71/38/43/523713843.db2.gz QNCMBGJEUZFNKD-UHFFFAOYSA-N 0 0 430.574 4.093 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)CO3)cc1 ZINC000035909443 523752875 /nfs/dbraw/zinc/75/28/75/523752875.db2.gz FQPGLHCAWPTLTB-UHFFFAOYSA-N 0 0 434.467 4.050 50 0 IIAARN COc1ccc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4C)o3)s2)cc1 ZINC000021359168 523763858 /nfs/dbraw/zinc/76/38/58/523763858.db2.gz SDKPQRXDOJCONP-UHFFFAOYSA-N 0 0 439.522 4.450 50 0 IIAARN CC[C@H](C(=O)N1CCc2ccccc21)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000035562454 523766594 /nfs/dbraw/zinc/76/65/94/523766594.db2.gz IOTCQTJRIMHKLK-QGZVFWFLSA-N 0 0 434.883 4.245 50 0 IIAARN COCCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)CCc1ccccc1 ZINC000035973252 523776846 /nfs/dbraw/zinc/77/68/46/523776846.db2.gz IQRWCIKMTDBLQP-UHFFFAOYSA-N 0 0 429.923 4.332 50 0 IIAARN COc1ccc(C(N)=O)c(O[C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000012770434 523795824 /nfs/dbraw/zinc/79/58/24/523795824.db2.gz KMHZBTRAHNMGLJ-CYBMUJFWSA-N 0 0 434.448 4.108 50 0 IIAARN COc1ccc(C(NC(=O)CSc2nc(C)c(C)c(C)n2)c2ccc(OC)cc2)cc1 ZINC000012925495 523796813 /nfs/dbraw/zinc/79/68/13/523796813.db2.gz LJDZAFSEFPBVOH-UHFFFAOYSA-N 0 0 437.565 4.417 50 0 IIAARN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000021943310 523797635 /nfs/dbraw/zinc/79/76/35/523797635.db2.gz OLMUPXZYEOIKGT-OAQYLSRUSA-N 0 0 429.524 4.406 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(F)c1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563759 523802530 /nfs/dbraw/zinc/80/25/30/523802530.db2.gz LBUFOPDUAMLQMC-HXUWFJFHSA-N 0 0 433.487 4.236 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2nc3c(cc2c1=O)CCCC3 ZINC000033059670 523804597 /nfs/dbraw/zinc/80/45/97/523804597.db2.gz GHWAKNIEVRIPMN-GOSISDBHSA-N 0 0 430.430 4.279 50 0 IIAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)s1 ZINC000021716310 523848232 /nfs/dbraw/zinc/84/82/32/523848232.db2.gz RTLQWVIKUPETCH-UHFFFAOYSA-N 0 0 426.542 4.126 50 0 IIAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cc(=O)[nH]c4ccccc43)n2)cc1 ZINC000012617562 523858238 /nfs/dbraw/zinc/85/82/38/523858238.db2.gz PEYBABWSGKCRHX-AWEZNQCLSA-N 0 0 447.516 4.398 50 0 IIAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)N[C@@H]2CCCc4ccccc42)c3=O)cc1 ZINC000033277747 523866008 /nfs/dbraw/zinc/86/60/08/523866008.db2.gz CUKHIUAWAOUBEL-OAQYLSRUSA-N 0 0 442.519 4.198 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32c3ccccc3NC2=O)cc1 ZINC000012193501 523879653 /nfs/dbraw/zinc/87/96/53/523879653.db2.gz QLOYYDLCRVECEN-BWKNWUBXSA-N 0 0 427.460 4.052 50 0 IIAARN CN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)c1ccccc1 ZINC000020575299 523908041 /nfs/dbraw/zinc/90/80/41/523908041.db2.gz CULOWVMOTVNJLF-KRWDZBQOSA-N 0 0 431.471 4.303 50 0 IIAARN CCc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021781116 523924536 /nfs/dbraw/zinc/92/45/36/523924536.db2.gz BZAUNQVGGZYFHA-AREMUKBSSA-N 0 0 432.568 4.176 50 0 IIAARN CCc1ccc(CNC(=O)CCc2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1 ZINC000033282492 523932923 /nfs/dbraw/zinc/93/29/23/523932923.db2.gz KTAWIFGXGFCIOL-UHFFFAOYSA-N 0 0 442.567 4.079 50 0 IIAARN CCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325822 523991448 /nfs/dbraw/zinc/99/14/48/523991448.db2.gz SQMUYXVIPUCHGD-NRFANRHFSA-N 0 0 437.565 4.341 50 0 IIAARN CCc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 ZINC000008917043 523992952 /nfs/dbraw/zinc/99/29/52/523992952.db2.gz JBBYSLRDASRRPC-UHFFFAOYSA-N 0 0 433.892 4.058 50 0 IIAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncs2)cc1OCc1ccco1 ZINC000012099376 524013162 /nfs/dbraw/zinc/01/31/62/524013162.db2.gz QJCZGIXAUSQRIE-QGZVFWFLSA-N 0 0 428.510 4.145 50 0 IIAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000020680175 524019191 /nfs/dbraw/zinc/01/91/91/524019191.db2.gz YZUCVHLCDBGAJL-RUZDIDTESA-N 0 0 436.552 4.339 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856858 524021064 /nfs/dbraw/zinc/02/10/64/524021064.db2.gz PTMUYKKWDJELNY-SANMLTNESA-N 0 0 431.536 4.123 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)c2ccco2)c1C ZINC000036004086 524022809 /nfs/dbraw/zinc/02/28/09/524022809.db2.gz RLOSKIDGEGDUAV-HNNXBMFYSA-N 0 0 426.444 4.064 50 0 IIAARN COc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4ccccn43)CC2)cc1OC ZINC000022786817 524031999 /nfs/dbraw/zinc/03/19/99/524031999.db2.gz JDIHDJHMOGUEAG-UHFFFAOYSA-N 0 0 442.563 4.336 50 0 IIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4cccs4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035885050 524042725 /nfs/dbraw/zinc/04/27/25/524042725.db2.gz MNVUUVFJXUUQDZ-INIZCTEOSA-N 0 0 436.533 4.248 50 0 IIAARN COc1ccc(CNC(=O)CN2c3ccccc3O/C(=C/c3cccc(C)c3)C2=O)cc1 ZINC000020736407 524050971 /nfs/dbraw/zinc/05/09/71/524050971.db2.gz GANNDYNYQOONQK-BUVRLJJBSA-N 0 0 428.488 4.087 50 0 IIAARN COc1ccc(CNC(=O)CSc2ncnc3c2sc2cccc(F)c23)cc1OC ZINC000021153476 524054056 /nfs/dbraw/zinc/05/40/56/524054056.db2.gz PTNVKNIOYXETGR-UHFFFAOYSA-N 0 0 443.525 4.409 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012413516 524063548 /nfs/dbraw/zinc/06/35/48/524063548.db2.gz DKRHILRFORRVNP-UHFFFAOYSA-N 0 0 433.537 4.019 50 0 biogenic,in-vitro IIAARN CCc1cccc(C)c1N=C1NN=C(c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CS1 ZINC000012536618 524066267 /nfs/dbraw/zinc/06/62/67/524066267.db2.gz RXTZXIKMCIJLKW-HNNXBMFYSA-N 0 0 442.610 4.187 50 0 IIAARN Cc1ccc(C)c(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)c1 ZINC000021860321 524103570 /nfs/dbraw/zinc/10/35/70/524103570.db2.gz BWPUOKSCIPFKRK-UHFFFAOYSA-N 0 0 436.515 4.244 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(c4nccc5sccc54)C3)CC2)c1 ZINC000033174195 524123749 /nfs/dbraw/zinc/12/37/49/524123749.db2.gz JKYNVJLZFYZKGM-HXUWFJFHSA-N 0 0 434.609 4.478 50 0 IIAARN Cc1ccc(C)c(N2CCN(c3cc(C)nc4nc(Cc5cccc(F)c5)nn43)CC2)c1 ZINC000015785834 524128188 /nfs/dbraw/zinc/12/81/88/524128188.db2.gz VNQLHNWJYNPGOV-UHFFFAOYSA-N 0 0 430.531 4.106 50 0 IIAARN Cc1cccc(-n2c(=S)n(CN3CCC[C@H]3c3cccs3)nc2N2CCOCC2)c1 ZINC000012552212 524138794 /nfs/dbraw/zinc/13/87/94/524138794.db2.gz ANPCCCOLPQRKHV-IBGZPJMESA-N 0 0 441.626 4.404 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN(C)Cc2cccnc2)c1 ZINC000012201892 524187738 /nfs/dbraw/zinc/18/77/38/524187738.db2.gz SDONTLGGPJNHBJ-MHZLTWQESA-N 0 0 440.547 4.178 50 0 IIAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 ZINC000021797498 524220234 /nfs/dbraw/zinc/22/02/34/524220234.db2.gz XHQZTPXJEWBCAW-UHFFFAOYSA-N 0 0 447.564 4.400 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000021522995 524221994 /nfs/dbraw/zinc/22/19/94/524221994.db2.gz 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438.568 4.251 50 0 IIAARN COc1cccc(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2F)c1 ZINC000034860173 555924970 /nfs/dbraw/zinc/92/49/70/555924970.db2.gz HDJKMLMYVWVPMO-PDSXEYIOSA-N 0 0 434.533 4.190 50 0 IIAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@H]2CCCO2)C(=O)C(C)C)s1 ZINC000034878224 555926256 /nfs/dbraw/zinc/92/62/56/555926256.db2.gz ZBMASWKNPKFTPW-OAQYLSRUSA-N 0 0 446.588 4.388 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn3c(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)C1 ZINC000034898698 555928359 /nfs/dbraw/zinc/92/83/59/555928359.db2.gz JWNQEFCXKHWDKH-IAGOWNOFSA-N 0 0 449.473 4.047 50 0 IIAARN Cc1ccc(C)c(Cc2c(C)nc3nc(SCC(=O)NCc4ccccc4)nn3c2C)c1 ZINC000003638176 555942724 /nfs/dbraw/zinc/94/27/24/555942724.db2.gz PNLFCFIATDPZLT-UHFFFAOYSA-N 0 0 445.592 4.357 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000003640702 555943118 /nfs/dbraw/zinc/94/31/18/555943118.db2.gz GGYRFXQSLSNJAJ-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(OCC)cc(OCC)c2)cc1 ZINC000004090919 555961678 /nfs/dbraw/zinc/96/16/78/555961678.db2.gz IVXDDZBSQZKSLW-UHFFFAOYSA-N 0 0 429.542 4.349 50 0 IIAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1F ZINC000004147359 555968241 /nfs/dbraw/zinc/96/82/41/555968241.db2.gz FKUQPMDQZLZXTH-UHFFFAOYSA-N 0 0 438.459 4.068 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br ZINC000004163802 555970937 /nfs/dbraw/zinc/97/09/37/555970937.db2.gz IICJWMVUGXFKGP-SFHVURJKSA-N 0 0 430.302 4.114 50 0 IIAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004580445 556002619 /nfs/dbraw/zinc/00/26/19/556002619.db2.gz JHCUDBZKHYSYFK-UHFFFAOYSA-N 0 0 430.614 4.198 50 0 IIAARN CCCCOc1ccc(OCCNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1 ZINC000004694640 556006768 /nfs/dbraw/zinc/00/67/68/556006768.db2.gz ZFYKESBIYQJBFM-JOCHJYFZSA-N 0 0 425.529 4.057 50 0 IIAARN O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000005028663 556028911 /nfs/dbraw/zinc/02/89/11/556028911.db2.gz ZPVDKMKHRJFPMC-QHCPKHFHSA-N 0 0 447.487 4.158 50 0 IIAARN CCOC(=O)[C@@](NC(=O)Nc1cc(F)ccc1C)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002311859 556078200 /nfs/dbraw/zinc/07/82/00/556078200.db2.gz UXEABTWZOSALMT-GOSISDBHSA-N 0 0 432.345 4.295 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000006573707 556095140 /nfs/dbraw/zinc/09/51/40/556095140.db2.gz QHMWRPVJQXUMMH-UHFFFAOYSA-N 0 0 449.330 4.069 50 0 IIAARN COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1 ZINC000006904829 556109253 /nfs/dbraw/zinc/10/92/53/556109253.db2.gz ZUXNHFFVQWADJL-UHFFFAOYSA-N 0 0 428.510 4.129 50 0 in-vitro IIAARN Cc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc(=O)sc3c2)cc1 ZINC000002685342 556118995 /nfs/dbraw/zinc/11/89/95/556118995.db2.gz UEDXCTLALOHDEQ-UHFFFAOYSA-N 0 0 431.535 4.465 50 0 IIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704082 556123217 /nfs/dbraw/zinc/12/32/17/556123217.db2.gz LSXQNEPFISGDAW-QHCPKHFHSA-N 0 0 441.439 4.281 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NCc1ccccc1 ZINC000002720641 556127062 /nfs/dbraw/zinc/12/70/62/556127062.db2.gz UCRYTDNUCGQCTK-UHFFFAOYSA-N 0 0 440.528 4.276 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1)N1CCCC1 ZINC000002720910 556127382 /nfs/dbraw/zinc/12/73/82/556127382.db2.gz FBFDGIPHRZOSFX-UHFFFAOYSA-N 0 0 438.940 4.235 50 0 IIAARN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1 ZINC000002722303 556128242 /nfs/dbraw/zinc/12/82/42/556128242.db2.gz FPBRFRSODHILCO-UHFFFAOYSA-N 0 0 443.912 4.052 50 0 IIAARN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)N1CCCC1 ZINC000002778037 556140805 /nfs/dbraw/zinc/14/08/05/556140805.db2.gz CGMZHKBPOLXZLT-UHFFFAOYSA-N 0 0 428.336 4.426 50 0 IIAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3c4ccccc4C[C@@H]3C)cc2n1 ZINC000002780861 556141564 /nfs/dbraw/zinc/14/15/64/556141564.db2.gz HOJZKKUCQKFIBD-LBPRGKRZSA-N 0 0 440.429 4.048 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c(C)c1 ZINC000033293183 556150630 /nfs/dbraw/zinc/15/06/30/556150630.db2.gz OQCVCWLMAPZVSD-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Cl)cc1 ZINC000002942768 556151539 /nfs/dbraw/zinc/15/15/39/556151539.db2.gz UKBDITXHNSWBPM-UHFFFAOYSA-N 0 0 425.868 4.308 50 0 IIAARN O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCC2(CC1)OCCO2 ZINC000002951146 556151603 /nfs/dbraw/zinc/15/16/03/556151603.db2.gz JXQKGXOGDLTSGE-UHFFFAOYSA-N 0 0 431.448 4.129 50 0 aggregator IIAARN CC[C@H](C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccccc1 ZINC000003008876 556154854 /nfs/dbraw/zinc/15/48/54/556154854.db2.gz PECGRXSPUPOTNI-KRWDZBQOSA-N 0 0 429.929 4.086 50 0 IIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CS(=O)(=O)C3)c1C ZINC000003009527 556155166 /nfs/dbraw/zinc/15/51/66/556155166.db2.gz CJOAJHBSOMZSFD-UHFFFAOYSA-N 0 0 437.565 4.467 50 0 IIAARN CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc(C)cc2)c1 ZINC000003022423 556157040 /nfs/dbraw/zinc/15/70/40/556157040.db2.gz WMBYRRXTHKLRPS-UHFFFAOYSA-N 0 0 442.512 4.264 50 0 IIAARN O=C(COC(=O)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1)c1ccc(Cl)cc1 ZINC000008384153 556159942 /nfs/dbraw/zinc/15/99/42/556159942.db2.gz UTTZLRYHSJKCLO-INIZCTEOSA-N 0 0 440.908 4.243 50 0 IIAARN CCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000008396301 556163576 /nfs/dbraw/zinc/16/35/76/556163576.db2.gz GHFCWWFRTJIISU-UHFFFAOYSA-N 0 0 429.369 4.101 50 0 IIAARN CCCNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008396287 556163635 /nfs/dbraw/zinc/16/36/35/556163635.db2.gz KZEKWAYDOUXELF-UHFFFAOYSA-N 0 0 449.787 4.364 50 0 IIAARN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000008400816 556166466 /nfs/dbraw/zinc/16/64/66/556166466.db2.gz DIMVSJYFQMKIPP-UHFFFAOYSA-N 0 0 437.569 4.082 50 0 IIAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccc(Cl)cc1 ZINC000008437236 556173728 /nfs/dbraw/zinc/17/37/28/556173728.db2.gz SNMKDJXDGHSERY-OAQYLSRUSA-N 0 0 437.931 4.092 50 0 IIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(SCC(=O)N2c2ccccc2)S1 ZINC000008438059 556174307 /nfs/dbraw/zinc/17/43/07/556174307.db2.gz WTPUWJLYLMUTKH-IBGZPJMESA-N 0 0 433.942 4.161 50 0 IIAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2=O)cc1C ZINC000008445420 556179639 /nfs/dbraw/zinc/17/96/39/556179639.db2.gz SAVVMRKNDGTBRI-JOCHJYFZSA-N 0 0 447.457 4.346 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000008449947 556180994 /nfs/dbraw/zinc/18/09/94/556180994.db2.gz HZPVVWYOORIVOL-SLDRDFCHSA-N 0 0 440.293 4.204 50 0 IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000008497986 556186869 /nfs/dbraw/zinc/18/68/69/556186869.db2.gz GXPFQRBXPWMUDN-JIURYPLNSA-N 0 0 429.903 4.272 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000008591655 556189310 /nfs/dbraw/zinc/18/93/10/556189310.db2.gz XDYULQOZOSTRSH-NRFANRHFSA-N 0 0 435.430 4.331 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2cc(Cl)ccc23)cc1C ZINC000008604504 556191313 /nfs/dbraw/zinc/19/13/13/556191313.db2.gz JCMCRMKKZPQLPY-UHFFFAOYSA-N 0 0 429.933 4.201 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2cccs2)cc1 ZINC000008682825 556199555 /nfs/dbraw/zinc/19/95/55/556199555.db2.gz JZOFFLLTCAGOLH-OAQYLSRUSA-N 0 0 449.532 4.165 50 0 IIAARN CN(C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000008710250 556201475 /nfs/dbraw/zinc/20/14/75/556201475.db2.gz YSEXCHFLBXOONB-NRFANRHFSA-N 0 0 438.531 4.215 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000008738042 556205025 /nfs/dbraw/zinc/20/50/25/556205025.db2.gz MYERLJKKPCTZKL-ZEVJAHDQSA-N 0 0 428.488 4.445 50 0 IIAARN CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000009060609 556244004 /nfs/dbraw/zinc/24/40/04/556244004.db2.gz CJKFYUFOPIVBNT-ZFWWWQNUSA-N 0 0 449.823 4.144 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc4ccc(OC)cc4s3)o2)cc1 ZINC000009095736 556247058 /nfs/dbraw/zinc/24/70/58/556247058.db2.gz CHTAOGGXUAVMJP-UHFFFAOYSA-N 0 0 442.522 4.018 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009197003 556255107 /nfs/dbraw/zinc/25/51/07/556255107.db2.gz NOXVOYFGSUHRCP-MOPGFXCFSA-N 0 0 427.961 4.454 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009197642 556255841 /nfs/dbraw/zinc/25/58/41/556255841.db2.gz AKPHMHCTNIWREC-LEWJYISDSA-N 0 0 437.569 4.254 50 0 IIAARN CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199050 556256850 /nfs/dbraw/zinc/25/68/50/556256850.db2.gz WBWKMTFQSHJOBV-CYBMUJFWSA-N 0 0 445.976 4.000 50 0 IIAARN Cc1ccccc1N1C[C@H](c2nnc(NC(=O)CCSc3ccccc3)s2)CC1=O ZINC000009224815 556258623 /nfs/dbraw/zinc/25/86/23/556258623.db2.gz MMAMDQLPVDVEKH-MRXNPFEDSA-N 0 0 438.578 4.488 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 ZINC000009226912 556260622 /nfs/dbraw/zinc/26/06/22/556260622.db2.gz WTSMZEKZQHXHJS-CQSZACIVSA-N 0 0 427.913 4.464 50 0 IIAARN COc1ccc(NC(=O)Cn2c3cc(OC)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000009228309 556261058 /nfs/dbraw/zinc/26/10/58/556261058.db2.gz DOQZKPOVAFLUAS-UHFFFAOYSA-N 0 0 443.503 4.270 50 0 IIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC[C@@H]2C)cc1 ZINC000009236534 556264103 /nfs/dbraw/zinc/26/41/03/556264103.db2.gz AQUIQRGJVJJZAV-ORYQWCPZSA-N 0 0 449.580 4.114 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009238959 556265252 /nfs/dbraw/zinc/26/52/52/556265252.db2.gz VUROSGCZIAHBKB-MSOLQXFVSA-N 0 0 447.923 4.176 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1C)S2 ZINC000009239148 556265541 /nfs/dbraw/zinc/26/55/41/556265541.db2.gz SONVQVRFJGJKIM-MOPGFXCFSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000009239244 556265602 /nfs/dbraw/zinc/26/56/02/556265602.db2.gz FWQMEHQQUHCYPO-LEWJYISDSA-N 0 0 437.569 4.254 50 0 IIAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000009242757 556266726 /nfs/dbraw/zinc/26/67/26/556266726.db2.gz WISBIOGIDXCYGJ-UHFFFAOYSA-N 0 0 440.891 4.248 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009295085 556274524 /nfs/dbraw/zinc/27/45/24/556274524.db2.gz XLXVWXYYRZPVKX-LEWJYISDSA-N 0 0 437.569 4.199 50 0 IIAARN CC1(C)Cc2c(sc3c2c2nc(-c4cccnc4)nn2c(=O)n3Cc2ccccc2)CO1 ZINC000013692291 556282012 /nfs/dbraw/zinc/28/20/12/556282012.db2.gz YVLZEWJXNKSDEP-UHFFFAOYSA-N 0 0 443.532 4.067 50 0 IIAARN Cc1csc2nc(CN(C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)cc(=O)n12 ZINC000032543416 556283362 /nfs/dbraw/zinc/28/33/62/556283362.db2.gz HNTSDHBWBPWHLL-UHFFFAOYSA-N 0 0 441.988 4.211 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000009454726 556292796 /nfs/dbraw/zinc/29/27/96/556292796.db2.gz BYCYBQFQRHGIHN-UHFFFAOYSA-N 0 0 428.532 4.346 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000009594416 556301472 /nfs/dbraw/zinc/30/14/72/556301472.db2.gz SRQSXDYDCPNLKR-NRFANRHFSA-N 0 0 432.314 4.065 50 0 IIAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013758983 556301571 /nfs/dbraw/zinc/30/15/71/556301571.db2.gz PNLDAACTMMOHLJ-RTBURBONSA-N 0 0 433.443 4.417 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000032741073 556302465 /nfs/dbraw/zinc/30/24/65/556302465.db2.gz UGTHACZQEZRTBH-QGZVFWFLSA-N 0 0 433.430 4.436 50 0 IIAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000009661588 556304577 /nfs/dbraw/zinc/30/45/77/556304577.db2.gz VOJRHXWYASYSJW-UHFFFAOYSA-N 0 0 430.508 4.161 50 0 IIAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000032736033 556305952 /nfs/dbraw/zinc/30/59/52/556305952.db2.gz ARDZFMKZRZLXKC-SFHVURJKSA-N 0 0 446.532 4.019 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O ZINC000032738616 556308452 /nfs/dbraw/zinc/30/84/52/556308452.db2.gz QBTYFTKWAKOSPS-UHFFFAOYSA-N 0 0 445.928 4.302 50 0 IIAARN O=S(=O)(c1nnn2c1nc(N1CCCCCC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000009829980 556310044 /nfs/dbraw/zinc/31/00/44/556310044.db2.gz UQYQCOYDHNNMES-UHFFFAOYSA-N 0 0 441.944 4.144 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892310 556315338 /nfs/dbraw/zinc/31/53/38/556315338.db2.gz VSMOPPRCXNBELG-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000032747538 556316310 /nfs/dbraw/zinc/31/63/10/556316310.db2.gz NUCGVVBHWGLVCR-UHFFFAOYSA-N 0 0 440.916 4.241 50 0 IIAARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000013843179 556318255 /nfs/dbraw/zinc/31/82/55/556318255.db2.gz WRKGPHKLRGPEHW-ZDUSSCGKSA-N 0 0 429.611 4.433 50 0 IIAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2c(c1)OCO2 ZINC000009962579 556318874 /nfs/dbraw/zinc/31/88/74/556318874.db2.gz TVLQWZYVLBIUFH-UHFFFAOYSA-N 0 0 435.436 4.489 50 0 IIAARN CCOc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009971672 556319428 /nfs/dbraw/zinc/31/94/28/556319428.db2.gz YHAYBJSGETZUHA-QZTJIDSGSA-N 0 0 441.336 4.004 50 0 IIAARN CC(C)(C)c1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000032760016 556320228 /nfs/dbraw/zinc/32/02/28/556320228.db2.gz NALJAFMNDQJMEK-ZDUSSCGKSA-N 0 0 434.949 4.202 50 0 IIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C)c2nc3ccccc3nc21 ZINC000032760661 556320984 /nfs/dbraw/zinc/32/09/84/556320984.db2.gz IYUDWKJTKLNARB-UHFFFAOYSA-N 0 0 449.518 4.158 50 0 IIAARN Cc1cc(C)n2ncc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)c2n1 ZINC000032761039 556325711 /nfs/dbraw/zinc/32/57/11/556325711.db2.gz DQGAECMWBOVIAH-UHFFFAOYSA-N 0 0 436.519 4.188 50 0 IIAARN Cc1ccc(-n2c(SCCn3c4ccccc4oc3=O)nnc2-c2ccncc2)cc1 ZINC000032777255 556328897 /nfs/dbraw/zinc/32/88/97/556328897.db2.gz NPDJNNYDDZIHJR-UHFFFAOYSA-N 0 0 429.505 4.338 50 0 IIAARN Cn1c(C2CC2)nn(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1=S ZINC000032770225 556334538 /nfs/dbraw/zinc/33/45/38/556334538.db2.gz JNGVOZBTOXGDNR-UHFFFAOYSA-N 0 0 443.617 4.471 50 0 IIAARN COc1ccc(S(=O)(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000032771322 556335265 /nfs/dbraw/zinc/33/52/65/556335265.db2.gz RCIFAJJZPFZGQO-CYBMUJFWSA-N 0 0 439.459 4.248 50 0 IIAARN CCOc1ccc(C(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000032774375 556336528 /nfs/dbraw/zinc/33/65/28/556336528.db2.gz WCQJRYAHQXLNLH-GHTZIAJQSA-N 0 0 440.540 4.027 50 0 IIAARN CCOc1ccc(C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000032774377 556336673 /nfs/dbraw/zinc/33/66/73/556336673.db2.gz WCQJRYAHQXLNLH-WIYYLYMNSA-N 0 0 440.540 4.027 50 0 IIAARN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000013940109 556337640 /nfs/dbraw/zinc/33/76/40/556337640.db2.gz OIFMCNXFVJLZDC-VGOFMYFVSA-N 0 0 425.641 4.001 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)COCC(=O)NCc3ccc(F)cc3)ccc21 ZINC000013943758 556340999 /nfs/dbraw/zinc/34/09/99/556340999.db2.gz BZGMLUNSBVARMV-UHFFFAOYSA-N 0 0 433.483 4.225 50 0 IIAARN COc1cc(SC)ccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000013944404 556341629 /nfs/dbraw/zinc/34/16/29/556341629.db2.gz TXPYCLPOANQTJG-ZDUSSCGKSA-N 0 0 440.550 4.041 50 0 IIAARN Cc1ccccc1N1C[C@H](c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)CC1=O ZINC000013944427 556341712 /nfs/dbraw/zinc/34/17/12/556341712.db2.gz AMHZXPUOFCHZNH-CQSZACIVSA-N 0 0 442.928 4.038 50 0 IIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1cc3ccccc3nc1Cl)C2=O ZINC000032569660 556342815 /nfs/dbraw/zinc/34/28/15/556342815.db2.gz ZDSUMZCAVAIWAA-LFVRLGFBSA-N 0 0 443.931 4.068 50 0 IIAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000011662950 556344356 /nfs/dbraw/zinc/34/43/56/556344356.db2.gz PHXZMKHKBOAZGV-JOCHJYFZSA-N 0 0 428.536 4.443 50 0 IIAARN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000011704094 556347243 /nfs/dbraw/zinc/34/72/43/556347243.db2.gz BBMSPFYNAPMQQX-UHFFFAOYSA-N 0 0 435.503 4.381 50 0 IIAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000011703947 556347281 /nfs/dbraw/zinc/34/72/81/556347281.db2.gz VALRQQFTBRKKJJ-RUZDIDTESA-N 0 0 425.573 4.352 50 0 IIAARN COc1cc(C)c(CN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC ZINC000022925564 556348020 /nfs/dbraw/zinc/34/80/20/556348020.db2.gz FZIZGLYONPZGBE-KRWDZBQOSA-N 0 0 440.519 4.080 50 0 IIAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H](C(F)(F)F)n2nccc21 ZINC000013960960 556348602 /nfs/dbraw/zinc/34/86/02/556348602.db2.gz GFBQCJCCHIZTEJ-OAHLLOKOSA-N 0 0 430.434 4.074 50 0 IIAARN COCCN1C(=S)N=NC1c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013960987 556348726 /nfs/dbraw/zinc/34/87/26/556348726.db2.gz MWQZVVQWGDIBLI-UHFFFAOYSA-N 0 0 432.553 4.369 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000011754034 556348789 /nfs/dbraw/zinc/34/87/89/556348789.db2.gz BZMFVWKEIHOMMP-UHFFFAOYSA-N 0 0 439.560 4.381 50 0 IIAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCN2CCCC2=O)cc1 ZINC000011768073 556349570 /nfs/dbraw/zinc/34/95/70/556349570.db2.gz FCYJXMYSUSVNAO-MHZLTWQESA-N 0 0 445.563 4.443 50 0 IIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000013986311 556351794 /nfs/dbraw/zinc/35/17/94/556351794.db2.gz OJTWIPIAEXSRGI-UHFFFAOYSA-N 0 0 444.539 4.010 50 0 IIAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000013990296 556352818 /nfs/dbraw/zinc/35/28/18/556352818.db2.gz LHBGMVLPAORMIQ-GOSISDBHSA-N 0 0 444.597 4.097 50 0 IIAARN Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)cc2s1 ZINC000032795866 556358236 /nfs/dbraw/zinc/35/82/36/556358236.db2.gz BAEJMMMKHGFLSG-GFCCVEGCSA-N 0 0 430.327 4.359 50 0 IIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC000014068105 556359923 /nfs/dbraw/zinc/35/99/23/556359923.db2.gz ZQOSAVAUCOSMEX-HXUWFJFHSA-N 0 0 443.322 4.314 50 0 IIAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(Br)s2)C1=O ZINC000014068102 556360001 /nfs/dbraw/zinc/36/00/01/556360001.db2.gz ZQOSAVAUCOSMEX-FQEVSTJZSA-N 0 0 443.322 4.314 50 0 IIAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1nc2c(s1)CCCC2 ZINC000014068351 556360019 /nfs/dbraw/zinc/36/00/19/556360019.db2.gz JHOGCDBMNHMMDS-UHFFFAOYSA-N 0 0 440.525 4.238 50 0 IIAARN COC[C@@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819535 556361357 /nfs/dbraw/zinc/36/13/57/556361357.db2.gz LFZKVTQJZJMDRH-GOSISDBHSA-N 0 0 432.996 4.252 50 0 IIAARN COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1OC ZINC000014085614 556364691 /nfs/dbraw/zinc/36/46/91/556364691.db2.gz AKRVNEDQLKELOQ-GFCCVEGCSA-N 0 0 432.361 4.054 50 0 IIAARN CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3nc(C(F)(F)F)c2=O)cc1 ZINC000032801705 556364978 /nfs/dbraw/zinc/36/49/78/556364978.db2.gz DPTSNRGHZWIPFM-OAHLLOKOSA-N 0 0 431.458 4.491 50 0 IIAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000032802776 556365362 /nfs/dbraw/zinc/36/53/62/556365362.db2.gz YJSQZPQBDYKRDF-UHFFFAOYSA-N 0 0 425.573 4.340 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C ZINC000014095469 556367156 /nfs/dbraw/zinc/36/71/56/556367156.db2.gz HFDUSVDJKUKTPP-XJKSGUPXSA-N 0 0 427.482 4.093 50 0 IIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(CN2CCCC2=O)c1 ZINC000014113273 556370208 /nfs/dbraw/zinc/37/02/08/556370208.db2.gz QHCBMSSIBLLIQL-UHFFFAOYSA-N 0 0 429.524 4.046 50 0 IIAARN Cc1ccc(CCC(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000011873817 556370314 /nfs/dbraw/zinc/37/03/14/556370314.db2.gz BCBHSMHIEQORJE-UHFFFAOYSA-N 0 0 434.515 4.379 50 0 IIAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H]3Cc4cc(F)cc(-c5cccnc5)c4O3)c2)n1 ZINC000011910936 556375014 /nfs/dbraw/zinc/37/50/14/556375014.db2.gz IVJXIOPMNNGZFP-QHCPKHFHSA-N 0 0 442.494 4.424 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000014137571 556375454 /nfs/dbraw/zinc/37/54/54/556375454.db2.gz YGCHPZQNNRQABB-UHFFFAOYSA-N 0 0 431.517 4.404 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000014138719 556375786 /nfs/dbraw/zinc/37/57/86/556375786.db2.gz OZLFWSVGTAXKLZ-SFHVURJKSA-N 0 0 437.521 4.272 50 0 IIAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1)c1ccccc1 ZINC000011933174 556376806 /nfs/dbraw/zinc/37/68/06/556376806.db2.gz IGURRARFTPLWSM-HXUWFJFHSA-N 0 0 438.572 4.055 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)no1 ZINC000014161378 556378596 /nfs/dbraw/zinc/37/85/96/556378596.db2.gz AUMJNIDMJXQADM-HNNXBMFYSA-N 0 0 432.432 4.249 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000014165770 556379501 /nfs/dbraw/zinc/37/95/01/556379501.db2.gz YUIQXAOFRZQOOE-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN Cc1cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000014168238 556380553 /nfs/dbraw/zinc/38/05/53/556380553.db2.gz ZROBLIQIDMBNSI-GOSISDBHSA-N 0 0 443.594 4.078 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCOCC2)cc1 ZINC000014171294 556381556 /nfs/dbraw/zinc/38/15/56/556381556.db2.gz XZOZBBDBFWCZCC-OAQYLSRUSA-N 0 0 440.927 4.412 50 0 IIAARN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000011970726 556382621 /nfs/dbraw/zinc/38/26/21/556382621.db2.gz JBVFPNYVKKKGQJ-IBGZPJMESA-N 0 0 430.951 4.449 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000011990381 556383702 /nfs/dbraw/zinc/38/37/02/556383702.db2.gz VYUNVZGWFJXCMS-UWJYYQICSA-N 0 0 436.265 4.391 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999190 556385349 /nfs/dbraw/zinc/38/53/49/556385349.db2.gz HILIJJKHAXHBBG-UHFFFAOYSA-N 0 0 429.325 4.184 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCSc2ccccc2)c1 ZINC000014198941 556389955 /nfs/dbraw/zinc/38/99/55/556389955.db2.gz GDXSXCNFBGPVBH-UHFFFAOYSA-N 0 0 426.563 4.034 50 0 IIAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)CCc2c(C)n[nH]c2C)C3)c1 ZINC000012037288 556390156 /nfs/dbraw/zinc/39/01/56/556390156.db2.gz LIJACXKNHRECBJ-HXUWFJFHSA-N 0 0 449.526 4.396 50 0 IIAARN CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014199664 556390305 /nfs/dbraw/zinc/39/03/05/556390305.db2.gz SEYRWHGYAGMQDO-OAQYLSRUSA-N 0 0 440.540 4.038 50 0 IIAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)c1cc(C)n(CCc3cccs3)c1C)C2=O ZINC000014199168 556390356 /nfs/dbraw/zinc/39/03/56/556390356.db2.gz NGMUSJCBSNDCLK-UHFFFAOYSA-N 0 0 441.597 4.483 50 0 IIAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccc(O)cc2)n1C[C@@H]1CCCO1 ZINC000012039288 556390436 /nfs/dbraw/zinc/39/04/36/556390436.db2.gz JHZWZGKPQMJKJQ-QFIPXVFZSA-N 0 0 438.597 4.395 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2ccc(SC(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000014199853 556390579 /nfs/dbraw/zinc/39/05/79/556390579.db2.gz IVSKRNSALYUXAL-LJQANCHMSA-N 0 0 440.487 4.110 50 0 IIAARN O=C(CCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc2c(c1)CCC2 ZINC000014200111 556390892 /nfs/dbraw/zinc/39/08/92/556390892.db2.gz JZGHKVFXRKLAJD-UHFFFAOYSA-N 0 0 433.577 4.092 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)coc2c1C ZINC000014200095 556390910 /nfs/dbraw/zinc/39/09/10/556390910.db2.gz FHMYIBZZVGPHNS-UHFFFAOYSA-N 0 0 438.505 4.302 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000012062145 556395417 /nfs/dbraw/zinc/39/54/17/556395417.db2.gz ZNKREMKEWBXAGY-FQEVSTJZSA-N 0 0 430.552 4.268 50 0 IIAARN C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1nnc2ccccn21 ZINC000032810389 556396699 /nfs/dbraw/zinc/39/66/99/556396699.db2.gz XXAKYAWMUFHUHY-HNNXBMFYSA-N 0 0 428.521 4.389 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C1 ZINC000014237312 556399628 /nfs/dbraw/zinc/39/96/28/556399628.db2.gz GJKSZWFERPMOEH-QZTJIDSGSA-N 0 0 444.622 4.496 50 0 IIAARN COc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000014240708 556401208 /nfs/dbraw/zinc/40/12/08/556401208.db2.gz BVGIDJYXYFKIRS-UHFFFAOYSA-N 0 0 446.532 4.320 50 0 IIAARN O=C(Nc1ccc(I)cc1)c1cccc(I)c1 ZINC000012428795 556404300 /nfs/dbraw/zinc/40/43/00/556404300.db2.gz XQBZYVJINMQYGE-UHFFFAOYSA-N 0 0 449.029 4.148 50 0 IIAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCc1nnc2ccccn21 ZINC000014245285 556405048 /nfs/dbraw/zinc/40/50/48/556405048.db2.gz PCZAUSQZHWQPMX-UHFFFAOYSA-N 0 0 431.446 4.405 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@@H](C)c4cccnc4)cc3)n2)cc1 ZINC000032578837 556405775 /nfs/dbraw/zinc/40/57/75/556405775.db2.gz JKXWIYXLLKLMQU-INIZCTEOSA-N 0 0 430.464 4.063 50 0 IIAARN COc1cc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000014247089 556406828 /nfs/dbraw/zinc/40/68/28/556406828.db2.gz DXIHBQNVMHWMKJ-MFOYZWKCSA-N 0 0 444.281 4.344 50 0 IIAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000014247866 556407405 /nfs/dbraw/zinc/40/74/05/556407405.db2.gz ZANBKJJZWYBJLY-CQSZACIVSA-N 0 0 438.519 4.485 50 0 IIAARN NC(=O)Cc1csc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)n1 ZINC000032823633 556408308 /nfs/dbraw/zinc/40/83/08/556408308.db2.gz IZEUDUBTZUHAPM-UHFFFAOYSA-N 0 0 440.575 4.325 50 0 IIAARN Cc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)c(C)c1 ZINC000032623405 556410457 /nfs/dbraw/zinc/41/04/57/556410457.db2.gz DMLBNGFBQXXCLU-UHFFFAOYSA-N 0 0 434.876 4.079 50 0 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/nfs/dbraw/zinc/48/63/37/556486337.db2.gz FZZUNCGMGSBZRC-SFHVURJKSA-N 0 0 444.487 4.186 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000029930966 556486554 /nfs/dbraw/zinc/48/65/54/556486554.db2.gz NKSVFLPMDDKRPS-UHFFFAOYSA-N 0 0 449.514 4.107 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccnc1Sc1ccc(C)cc1 ZINC000013145615 556487710 /nfs/dbraw/zinc/48/77/10/556487710.db2.gz YRSMDXYBKAMOMO-UHFFFAOYSA-N 0 0 437.540 4.459 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c1 ZINC000032876391 556488417 /nfs/dbraw/zinc/48/84/17/556488417.db2.gz UJRCAZGJVKYEGX-IBGZPJMESA-N 0 0 443.617 4.041 50 0 IIAARN CCOc1ccccc1N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1=O ZINC000013147983 556489391 /nfs/dbraw/zinc/48/93/91/556489391.db2.gz YTSQJHKUEMMVIJ-SFHVURJKSA-N 0 0 449.576 4.454 50 0 IIAARN CN1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029978 556489821 /nfs/dbraw/zinc/48/98/21/556489821.db2.gz SFZUDZSYTMGNGS-JWQCQUIFSA-N 0 0 427.548 4.063 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)s2)cc1OC ZINC000030030144 556489942 /nfs/dbraw/zinc/48/99/42/556489942.db2.gz LQVFXIPXRIWTBF-LJQANCHMSA-N 0 0 437.565 4.265 50 0 IIAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000013153157 556492877 /nfs/dbraw/zinc/49/28/77/556492877.db2.gz RCDDSJPWSHTDAP-NRFANRHFSA-N 0 0 433.508 4.128 50 0 IIAARN CN(CC(=O)Nc1ccccc1SCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013164029 556495431 /nfs/dbraw/zinc/49/54/31/556495431.db2.gz AYZZMUQUGFQXJJ-UHFFFAOYSA-N 0 0 444.560 4.286 50 0 IIAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)NCc1ccccc1COc1ccccc1 ZINC000030511340 556495727 /nfs/dbraw/zinc/49/57/27/556495727.db2.gz ASCGRVGOWBMJTN-UHFFFAOYSA-N 0 0 439.471 4.038 50 0 IIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000013164679 556496985 /nfs/dbraw/zinc/49/69/85/556496985.db2.gz KYQUSWPPTYBIKQ-UHFFFAOYSA-N 0 0 429.451 4.380 50 0 IIAARN O=C(NCCc1cccc(Cl)c1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000015072525 556497014 /nfs/dbraw/zinc/49/70/14/556497014.db2.gz REJRMMWFVSTCJA-UHFFFAOYSA-N 0 0 426.944 4.092 50 0 IIAARN CCN(C(=O)[C@@H](C)Sc1nnnn1Cc1ccc(OC)cc1)c1cccc2ccccc21 ZINC000013164681 556497046 /nfs/dbraw/zinc/49/70/46/556497046.db2.gz XKLGOCPNUCKISG-QGZVFWFLSA-N 0 0 447.564 4.417 50 0 IIAARN O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000013426808 556505938 /nfs/dbraw/zinc/50/59/38/556505938.db2.gz DGRWEZDBIDICDK-MRXNPFEDSA-N 0 0 448.972 4.207 50 0 IIAARN Clc1ccc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)o2)cc1 ZINC000030791628 556506121 /nfs/dbraw/zinc/50/61/21/556506121.db2.gz GBOWHHZSEMYRGE-AWEZNQCLSA-N 0 0 428.930 4.483 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(C)c3)C(C)C)n2)cc1OC ZINC000013483824 556508103 /nfs/dbraw/zinc/50/81/03/556508103.db2.gz GZFKTHKHTQCRFS-QGZVFWFLSA-N 0 0 439.512 4.267 50 0 IIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000032882047 556508500 /nfs/dbraw/zinc/50/85/00/556508500.db2.gz BBEYQQBXJPZTMK-JOCHJYFZSA-N 0 0 439.943 4.110 50 0 IIAARN COc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013494665 556508793 /nfs/dbraw/zinc/50/87/93/556508793.db2.gz RVSITCZQLAMWPE-QGZVFWFLSA-N 0 0 447.940 4.233 50 0 IIAARN Cc1nc2sc3c([nH]c(=O)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013540215 556513516 /nfs/dbraw/zinc/51/35/16/556513516.db2.gz JQKNUSKNQIWHCS-UHFFFAOYSA-N 0 0 427.913 4.102 50 0 IIAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000030886553 556514621 /nfs/dbraw/zinc/51/46/21/556514621.db2.gz BFLGOYREDRHADJ-UHFFFAOYSA-N 0 0 425.384 4.404 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000032895259 556515166 /nfs/dbraw/zinc/51/51/66/556515166.db2.gz KNVAUOPJRMYUOJ-UHFFFAOYSA-N 0 0 429.402 4.212 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccc(C)c(C)c1 ZINC000030947753 556517498 /nfs/dbraw/zinc/51/74/98/556517498.db2.gz JPKNLUWDURQSTM-UHFFFAOYSA-N 0 0 432.476 4.360 50 0 IIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000030965183 556518265 /nfs/dbraw/zinc/51/82/65/556518265.db2.gz CMKZXRWCLYDJAQ-NRFANRHFSA-N 0 0 441.959 4.149 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)(C)C ZINC000015314337 556518612 /nfs/dbraw/zinc/51/86/12/556518612.db2.gz HUHYQTHRWYTSFZ-KSKOPSKJSA-N 0 0 448.629 4.107 50 0 IIAARN C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000032719020 556519721 /nfs/dbraw/zinc/51/97/21/556519721.db2.gz VFSBFJHAXGFNPI-AEFFLSMTSA-N 0 0 442.610 4.497 50 0 IIAARN O=C(CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)NCCc1c[nH]c2ccccc12 ZINC000013570015 556521618 /nfs/dbraw/zinc/52/16/18/556521618.db2.gz FOWONEMLGGUHHY-DEDYPNTBSA-N 0 0 437.496 4.092 50 0 IIAARN COc1cccc(/C=C/C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000015383418 556523973 /nfs/dbraw/zinc/52/39/73/556523973.db2.gz AUPRRPAOFCABGQ-AATRIKPKSA-N 0 0 425.838 4.124 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000072301104 556524082 /nfs/dbraw/zinc/52/40/82/556524082.db2.gz YDWBYTLAVWTQDJ-UHFFFAOYSA-N 0 0 427.913 4.214 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000015412435 556525149 /nfs/dbraw/zinc/52/51/49/556525149.db2.gz RPMYTXIQZHPATP-RUZDIDTESA-N 0 0 430.504 4.442 50 0 IIAARN COc1cc(Br)c([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000015503802 556531708 /nfs/dbraw/zinc/53/17/08/556531708.db2.gz GMSKMULBDRXQQO-RNODOKPDSA-N 0 0 447.329 4.212 50 0 IIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)Cc2c(C)noc2C)sc1C ZINC000032721431 556532313 /nfs/dbraw/zinc/53/23/13/556532313.db2.gz MDKRKQTZWUZWHZ-UHFFFAOYSA-N 0 0 427.526 4.051 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(Br)o2)CC3)cc1OC ZINC000013608767 556533781 /nfs/dbraw/zinc/53/37/81/556533781.db2.gz NSGPDSOVZDILOG-UHFFFAOYSA-N 0 0 449.326 4.381 50 0 IIAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013608282 556533860 /nfs/dbraw/zinc/53/38/60/556533860.db2.gz ONPLYPPDGWIYHV-UHFFFAOYSA-N 0 0 436.895 4.154 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015545971 556534019 /nfs/dbraw/zinc/53/40/19/556534019.db2.gz HWVXKMSLKZCLMU-HSZRJFAPSA-N 0 0 435.568 4.030 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015545970 556534031 /nfs/dbraw/zinc/53/40/31/556534031.db2.gz HWVXKMSLKZCLMU-QHCPKHFHSA-N 0 0 435.568 4.030 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000015593869 556536547 /nfs/dbraw/zinc/53/65/47/556536547.db2.gz IKEPSPGTHLIEBN-UHFFFAOYSA-N 0 0 429.881 4.215 50 0 IIAARN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000015600800 556537143 /nfs/dbraw/zinc/53/71/43/556537143.db2.gz FIJKCRLJRMUASR-VQTJNVASSA-N 0 0 428.916 4.042 50 0 IIAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc(Cl)cc2)CN1C ZINC000013627209 556537677 /nfs/dbraw/zinc/53/76/77/556537677.db2.gz MQDRWEFRQBWUBJ-RZTXVSJASA-N 0 0 447.922 4.119 50 0 IIAARN O=C(Cc1cccs1)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000004571622 556537694 /nfs/dbraw/zinc/53/76/94/556537694.db2.gz HFEDOTNVOVTPQR-HXUWFJFHSA-N 0 0 432.630 4.450 50 0 IIAARN COC(=O)c1sc2[nH]c(CSc3ccc(Br)cc3)nc(=O)c2c1C ZINC000013637213 556541304 /nfs/dbraw/zinc/54/13/04/556541304.db2.gz QPQCKWIATNPHEC-UHFFFAOYSA-N 0 0 425.329 4.134 50 0 IIAARN Cc1ccc(CNC(=O)CN(C(=O)C2=C(C)OCCS2)c2ccc(Cl)cc2)cc1 ZINC000015724451 556545601 /nfs/dbraw/zinc/54/56/01/556545601.db2.gz ZSFSVGDBFWODMU-UHFFFAOYSA-N 0 0 430.957 4.293 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000072303629 556547486 /nfs/dbraw/zinc/54/74/86/556547486.db2.gz NGFGCSBIBZJMKU-COPCDDAFSA-N 0 0 428.960 4.209 50 0 IIAARN Cc1cnc2c(cccc2S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000032905411 556548475 /nfs/dbraw/zinc/54/84/75/556548475.db2.gz ARQQKNIOLORDLS-UHFFFAOYSA-N 0 0 429.973 4.140 50 0 IIAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2s1 ZINC000032959644 556549091 /nfs/dbraw/zinc/54/90/91/556549091.db2.gz FDEZSCZYXHWGAG-UHFFFAOYSA-N 0 0 442.972 4.190 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)NCc4cccc(Br)c4)C3)c2c1C ZINC000032960095 556556005 /nfs/dbraw/zinc/55/60/05/556556005.db2.gz GTSBASJBYXNPKL-MRXNPFEDSA-N 0 0 443.345 4.135 50 0 IIAARN O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000032905772 556556372 /nfs/dbraw/zinc/55/63/72/556556372.db2.gz ULYMPCPXKBRLQL-FQEVSTJZSA-N 0 0 445.544 4.441 50 0 IIAARN O=C(NCCc1ccccc1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274590 556558782 /nfs/dbraw/zinc/55/87/82/556558782.db2.gz XSGRHMCUERUBTO-UHFFFAOYSA-N 0 0 438.524 4.017 50 0 IIAARN Cc1nc(CSc2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2)cs1 ZINC000032907434 556559147 /nfs/dbraw/zinc/55/91/47/556559147.db2.gz XKCDPDWBOQCCOT-UHFFFAOYSA-N 0 0 444.651 4.467 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(SCC(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)c1 ZINC000015869290 556559931 /nfs/dbraw/zinc/55/99/31/556559931.db2.gz RWIHIJQPIQCEJC-UHFFFAOYSA-N 0 0 445.544 4.413 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](c1cc(Br)cs1)N(C)C ZINC000072306899 556560548 /nfs/dbraw/zinc/56/05/48/556560548.db2.gz JQDJYDFZNNMKAD-LJQANCHMSA-N 0 0 447.402 4.232 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(Cl)c1Cl ZINC000015882527 556561361 /nfs/dbraw/zinc/56/13/61/556561361.db2.gz NALONQLZWDVWMK-UHFFFAOYSA-N 0 0 445.335 4.491 50 0 IIAARN C[C@H](C(=O)Nc1ccc(CN(C(=O)[C@H](C)n2cccn2)c2ccccc2)cc1)n1cccn1 ZINC000072307985 556563682 /nfs/dbraw/zinc/56/36/82/556563682.db2.gz ZTTJYQKMQCNDCG-UXHICEINSA-N 0 0 442.523 4.074 50 0 IIAARN O=C(Nc1ccc(C2=CSC3=NCCCN23)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032908026 556563876 /nfs/dbraw/zinc/56/38/76/556563876.db2.gz BLEZOHAXFONSJV-UHFFFAOYSA-N 0 0 449.504 4.042 50 0 IIAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032907969 556563937 /nfs/dbraw/zinc/56/39/37/556563937.db2.gz YMFAOWCMDMRXEM-NRFANRHFSA-N 0 0 440.494 4.002 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4Cl)C3)c2c1C ZINC000032960405 556567000 /nfs/dbraw/zinc/56/70/00/556567000.db2.gz KFQUTYZVLUWXHJ-GOSISDBHSA-N 0 0 426.948 4.377 50 0 IIAARN CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(C(N)=O)CC3)n2)cc1 ZINC000072309026 556569435 /nfs/dbraw/zinc/56/94/35/556569435.db2.gz ABTGBVGATKXGDL-JOCHJYFZSA-N 0 0 448.592 4.250 50 0 IIAARN O=C(CN1CCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000015987974 556571473 /nfs/dbraw/zinc/57/14/73/556571473.db2.gz ACOUNODSTXBBNZ-UHFFFAOYSA-N 0 0 448.386 4.286 50 0 IIAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(OC)c3OC)N2C1=O ZINC000002496355 556575095 /nfs/dbraw/zinc/57/50/95/556575095.db2.gz HONZJKPUWITUTD-SIKLNZKXSA-N 0 0 433.508 4.264 50 0 IIAARN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000072311059 556577294 /nfs/dbraw/zinc/57/72/94/556577294.db2.gz SBCGDCXMJAULFO-MYGHRHJXSA-N 0 0 436.581 4.119 50 0 IIAARN O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccc1Cl ZINC000072309858 556577622 /nfs/dbraw/zinc/57/76/22/556577622.db2.gz OHMINNMSGDLAMS-WIYYLYMNSA-N 0 0 427.932 4.352 50 0 IIAARN CCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)cc1OC ZINC000016044934 556578921 /nfs/dbraw/zinc/57/89/21/556578921.db2.gz LSPTVFCAQBPCQJ-UHFFFAOYSA-N 0 0 435.904 4.253 50 0 IIAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)Cc1cn2ccsc2n1)c1ccccc1 ZINC000032910072 556578925 /nfs/dbraw/zinc/57/89/25/556578925.db2.gz GZNHSXSXDZWQLJ-NRFANRHFSA-N 0 0 435.505 4.260 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)n2C)c1 ZINC000016045904 556579891 /nfs/dbraw/zinc/57/98/91/556579891.db2.gz HNEAAMPINNVDEK-UHFFFAOYSA-N 0 0 434.924 4.034 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](C)[C@H]3CNC(=O)OC(C)(C)C)cc2)n1 ZINC000072311332 556580682 /nfs/dbraw/zinc/58/06/82/556580682.db2.gz WTNSRQYEOOPFAN-VGOFRKELSA-N 0 0 440.588 4.314 50 0 IIAARN CC[C@H](CO)Nc1nc2c(ncn2C(C)C)c(NCc2ccc(-c3ccccn3)cc2)n1 ZINC000016052807 556581466 /nfs/dbraw/zinc/58/14/66/556581466.db2.gz HOCBJBNQIQQQGT-LJQANCHMSA-N 0 0 431.544 4.264 50 0 in-vivo IIAARN Cc1ccc(Nc2nc(N)nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000016097474 556582761 /nfs/dbraw/zinc/58/27/61/556582761.db2.gz IDJYUEOAKFWZOU-LJQANCHMSA-N 0 0 432.528 4.004 50 0 IIAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000016182910 556587197 /nfs/dbraw/zinc/58/71/97/556587197.db2.gz NASLNECKTZWJLL-UHFFFAOYSA-N 0 0 440.496 4.071 50 0 IIAARN COc1ccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000032967322 556587899 /nfs/dbraw/zinc/58/78/99/556587899.db2.gz SBDPCEKYDODRJP-UHFFFAOYSA-N 0 0 427.353 4.332 50 0 IIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2cccnc2)c1 ZINC000032974967 556596833 /nfs/dbraw/zinc/59/68/33/556596833.db2.gz JPGACCKFFKUKQG-UHFFFAOYSA-N 0 0 442.519 4.201 50 0 IIAARN CCc1cc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc(-c2ccncc2)n1 ZINC000072312229 556599372 /nfs/dbraw/zinc/59/93/72/556599372.db2.gz AOQSYZDIQBNVSW-UHFFFAOYSA-N 0 0 447.974 4.114 50 0 IIAARN COc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)CC(C)C)n2)cc(OC)c1OC ZINC000037381740 556602270 /nfs/dbraw/zinc/60/22/70/556602270.db2.gz FAGLSZLFTNGZKI-SFHVURJKSA-N 0 0 439.512 4.209 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1c(-c2ccccc2F)noc1N1CCOCC1 ZINC000032985142 556604840 /nfs/dbraw/zinc/60/48/40/556604840.db2.gz IZVLGTTXCWYPIE-UHFFFAOYSA-N 0 0 446.276 4.332 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000032985946 556605526 /nfs/dbraw/zinc/60/55/26/556605526.db2.gz LJFZLNXXLTWIDT-UHFFFAOYSA-N 0 0 437.956 4.426 50 0 IIAARN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000016425003 556606357 /nfs/dbraw/zinc/60/63/57/556606357.db2.gz CVAZYFAEWMVMFC-IBGZPJMESA-N 0 0 431.945 4.179 50 0 IIAARN CSc1cccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)n2C)c1 ZINC000016426487 556606539 /nfs/dbraw/zinc/60/65/39/556606539.db2.gz XKTUHXKXFVSIBG-UHFFFAOYSA-N 0 0 428.583 4.464 50 0 IIAARN O=C(NCCc1ccc(-n2cccn2)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000032914403 556607787 /nfs/dbraw/zinc/60/77/87/556607787.db2.gz USZAJWAYVDOBRZ-UHFFFAOYSA-N 0 0 428.467 4.236 50 0 IIAARN Cn1c2ccc(S(=O)(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)cc2oc1=O ZINC000016448434 556608701 /nfs/dbraw/zinc/60/87/01/556608701.db2.gz BBVHCKWUEICJRW-UHFFFAOYSA-N 0 0 430.869 4.378 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000016475330 556610398 /nfs/dbraw/zinc/61/03/98/556610398.db2.gz ZFRBIJPVAYOFLB-UHFFFAOYSA-N 0 0 444.597 4.475 50 0 IIAARN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000032915847 556613250 /nfs/dbraw/zinc/61/32/50/556613250.db2.gz ILXMOHMYCYMGJZ-IBGZPJMESA-N 0 0 425.504 4.271 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cccc3Cl)n2)ccc1C ZINC000016626878 556618822 /nfs/dbraw/zinc/61/88/22/556618822.db2.gz FJRJFRZBTWJPQF-OAHLLOKOSA-N 0 0 438.915 4.339 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)c(Cl)c3)n2)ccc1C ZINC000016648542 556620087 /nfs/dbraw/zinc/62/00/87/556620087.db2.gz KPLOMOQRRBKTEQ-CYBMUJFWSA-N 0 0 442.878 4.169 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)cc1 ZINC000016649180 556620404 /nfs/dbraw/zinc/62/04/04/556620404.db2.gz JTNTTZOOZLQOQI-SFHVURJKSA-N 0 0 432.524 4.321 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)ccc3C)n2)ccc1C ZINC000016652307 556620917 /nfs/dbraw/zinc/62/09/17/556620917.db2.gz NPQINWRTOCZOKF-GOSISDBHSA-N 0 0 432.524 4.384 50 0 IIAARN CCCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(C)=O ZINC000033729329 556627338 /nfs/dbraw/zinc/62/73/38/556627338.db2.gz RAKOZBHEFCQMAD-UHFFFAOYSA-N 0 0 444.572 4.215 50 0 IIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000016733730 556632370 /nfs/dbraw/zinc/63/23/70/556632370.db2.gz FPWDFNWLBLZRLC-FUHIMQAGSA-N 0 0 444.597 4.376 50 0 IIAARN CC(C)[C@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N1CCCC1 ZINC000061469104 556635201 /nfs/dbraw/zinc/63/52/01/556635201.db2.gz HOWUIORKFNICPM-INIZCTEOSA-N 0 0 427.726 4.388 50 0 IIAARN CSc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccncc2)cc3=O)c1 ZINC000040484435 556643638 /nfs/dbraw/zinc/64/36/38/556643638.db2.gz CWOXQXJEJSVJBJ-UHFFFAOYSA-N 0 0 441.516 4.072 50 0 IIAARN O=C(c1cccc(F)c1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037579711 556645334 /nfs/dbraw/zinc/64/53/34/556645334.db2.gz HVAFMYAKCZFPSY-UHFFFAOYSA-N 0 0 436.462 4.346 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000016844952 556646658 /nfs/dbraw/zinc/64/66/58/556646658.db2.gz ODDURTNWJNKVEG-UHFFFAOYSA-N 0 0 437.546 4.401 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037602596 556646675 /nfs/dbraw/zinc/64/66/75/556646675.db2.gz GURODZFCDJOTGZ-DNQXCXABSA-N 0 0 438.543 4.392 50 0 IIAARN CC(C)CN(C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccccc1 ZINC000037612464 556648218 /nfs/dbraw/zinc/64/82/18/556648218.db2.gz UMDKBUSXCXPYFG-NRFANRHFSA-N 0 0 429.948 4.371 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3ccc(NC(=O)c4cccs4)nn3)sc2c1 ZINC000011739475 556649621 /nfs/dbraw/zinc/64/96/21/556649621.db2.gz YDHNAVDYHVMLLG-UHFFFAOYSA-N 0 0 441.563 4.439 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC1(c2ccccc2)CC1 ZINC000011750406 556650293 /nfs/dbraw/zinc/65/02/93/556650293.db2.gz ONQLFBCACWZFCG-UHFFFAOYSA-N 0 0 438.524 4.397 50 0 IIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4OC)nccn3n2)cc1 ZINC000017026274 556653529 /nfs/dbraw/zinc/65/35/29/556653529.db2.gz FNQRHAPMDBOINF-UHFFFAOYSA-N 0 0 434.521 4.453 50 0 IIAARN CC(C)OCCCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2ccccc2c1=O ZINC000011768647 556654187 /nfs/dbraw/zinc/65/41/87/556654187.db2.gz ISXMQMAESPAYGI-GOSISDBHSA-N 0 0 445.629 4.483 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000011761608 556654441 /nfs/dbraw/zinc/65/44/41/556654441.db2.gz FNTZKVTXIYSQMR-UHFFFAOYSA-N 0 0 430.504 4.492 50 0 IIAARN O=C(Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)N1CCCCCC1 ZINC000033004264 556654679 /nfs/dbraw/zinc/65/46/79/556654679.db2.gz CVMTZWVKNIRMFU-HXUWFJFHSA-N 0 0 448.542 4.094 50 0 IIAARN Cc1cc2nc(C)c(=O)n(CCC(=O)Nc3ccc(Br)cc3F)c2cc1C ZINC000033005479 556654945 /nfs/dbraw/zinc/65/49/45/556654945.db2.gz NQBMVOZPLVUEFV-UHFFFAOYSA-N 0 0 432.293 4.252 50 0 IIAARN CC(C)c1cccc(N2C[C@@H](C(=O)Nc3nc(-c4ccc(C(N)=O)cc4)cs3)CC2=O)c1 ZINC000032925883 556655202 /nfs/dbraw/zinc/65/52/02/556655202.db2.gz OMVXNOCKOMYONG-SFHVURJKSA-N 0 0 448.548 4.024 50 0 IIAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000097653904 556655286 /nfs/dbraw/zinc/65/52/86/556655286.db2.gz FOEGJHLXFMBZKZ-QOUCTAMTSA-N 0 0 449.334 4.280 50 0 IIAARN C[C@H]1CCCN(C(=O)C2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)C1 ZINC000032926858 556655720 /nfs/dbraw/zinc/65/57/20/556655720.db2.gz YHUGIEDTSNSUKI-HNNXBMFYSA-N 0 0 449.621 4.485 50 0 IIAARN CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000032927250 556656040 /nfs/dbraw/zinc/65/60/40/556656040.db2.gz IUGUHKOOPLNGNY-HNNXBMFYSA-N 0 0 426.376 4.315 50 0 IIAARN O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H]1c1ccccc1 ZINC000032927648 556656324 /nfs/dbraw/zinc/65/63/24/556656324.db2.gz XAQDPXBQXCZCHS-CQSZACIVSA-N 0 0 431.149 4.347 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1 ZINC000011835208 556659687 /nfs/dbraw/zinc/65/96/87/556659687.db2.gz RZJORJPPZTTYGG-UHFFFAOYSA-N 0 0 429.523 4.205 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cn(C)nc1C ZINC000017096114 556659743 /nfs/dbraw/zinc/65/97/43/556659743.db2.gz XADBCWMCYSVPBS-UHFFFAOYSA-N 0 0 428.583 4.463 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000248083399 556661046 /nfs/dbraw/zinc/66/10/46/556661046.db2.gz DOEDEFKGCVGNNU-WSOYEBOPSA-N 0 0 434.495 4.268 50 0 IIAARN COc1cc(COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC000022982663 556662570 /nfs/dbraw/zinc/66/25/70/556662570.db2.gz HWWGPGQCBRIHNT-UHFFFAOYSA-N 0 0 434.222 4.077 50 0 IIAARN C[C@H](c1nnc(S[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1-c1ccc(F)cc1)N(C)C ZINC000248107630 556662996 /nfs/dbraw/zinc/66/29/96/556662996.db2.gz IZPYYROFDDAJGI-TWMKSMIVSA-N 0 0 433.597 4.299 50 0 IIAARN CCOc1ccccc1NC(=O)CCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 ZINC000033013687 556663100 /nfs/dbraw/zinc/66/31/00/556663100.db2.gz QCBGFAWPZNZLFY-UHFFFAOYSA-N 0 0 432.480 4.247 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013824 556663879 /nfs/dbraw/zinc/66/38/79/556663879.db2.gz USFAZAFGOGJBSU-KRWDZBQOSA-N 0 0 430.508 4.395 50 0 IIAARN Cc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCc4cccs4)[C@H]3C2)cc1 ZINC000248099056 556664121 /nfs/dbraw/zinc/66/41/21/556664121.db2.gz JAQRIONNIQWTDB-ILBGXUMGSA-N 0 0 431.605 4.283 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000043726798 556664594 /nfs/dbraw/zinc/66/45/94/556664594.db2.gz DIANZUDIXVLGSH-LRSLUSHPSA-N 0 0 444.874 4.331 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1OC ZINC000017100821 556665691 /nfs/dbraw/zinc/66/56/91/556665691.db2.gz QSYGGPFMAOPFNZ-UHFFFAOYSA-N 0 0 436.896 4.023 50 0 IIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000017113118 556668153 /nfs/dbraw/zinc/66/81/53/556668153.db2.gz OVZPAGUEIOAWKR-OAHLLOKOSA-N 0 0 448.335 4.399 50 0 IIAARN COc1cccc(-c2cn3c(C(=O)N4CCN(c5ccccc5OC)CC4)csc3n2)c1 ZINC000011902268 556669866 /nfs/dbraw/zinc/66/98/66/556669866.db2.gz MKYQEAWNISMESV-UHFFFAOYSA-N 0 0 448.548 4.042 50 0 IIAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NCCSc1ccc(Cl)cc1 ZINC000017181516 556672043 /nfs/dbraw/zinc/67/20/43/556672043.db2.gz NYROCTKJIUIAMZ-UHFFFAOYSA-N 0 0 446.377 4.470 50 0 IIAARN COc1ccc2cc([C@H]3SCC(=O)N3c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1 ZINC000017198170 556672848 /nfs/dbraw/zinc/67/28/48/556672848.db2.gz INWDQMBAKVXUEL-RUZDIDTESA-N 0 0 445.544 4.425 50 0 IIAARN C[C@@H]1CN([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)c2c(F)cccc2Cl)CCO1 ZINC000032930499 556673853 /nfs/dbraw/zinc/67/38/53/556673853.db2.gz KVQGEAMVWXLJDW-VFNWGFHPSA-N 0 0 429.923 4.081 50 0 IIAARN CC(C)C(=O)N(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914953 556674202 /nfs/dbraw/zinc/67/42/02/556674202.db2.gz GJKKCRCEAJZMJX-CQSZACIVSA-N 0 0 430.353 4.425 50 0 IIAARN O=C(c1cccs1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914960 556674233 /nfs/dbraw/zinc/67/42/33/556674233.db2.gz JSZPMBVHGPYEIP-INIZCTEOSA-N 0 0 435.954 4.491 50 0 IIAARN COc1ccccc1[C@@H]1c2c(=O)[nH]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000017243082 556674274 /nfs/dbraw/zinc/67/42/74/556674274.db2.gz HKLWTKKDOGHQGI-SFHVURJKSA-N 0 0 443.569 4.310 50 0 IIAARN CCOc1ccc(-c2csc(NC(=O)CCS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000010620457 556676471 /nfs/dbraw/zinc/67/64/71/556676471.db2.gz PCEIHHXHVCDMND-UHFFFAOYSA-N 0 0 430.551 4.152 50 0 IIAARN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccon3)s2)C1 ZINC000011958263 556676850 /nfs/dbraw/zinc/67/68/50/556676850.db2.gz JIOYPGAHWWMCQA-CQSZACIVSA-N 0 0 436.942 4.340 50 0 IIAARN COc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)cc2Br)cc1OC ZINC000032932102 556676959 /nfs/dbraw/zinc/67/69/59/556676959.db2.gz UVEFVYLEEJLXHH-UHFFFAOYSA-N 0 0 434.265 4.352 50 0 IIAARN O=C(NCCSC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000032936070 556677987 /nfs/dbraw/zinc/67/79/87/556677987.db2.gz GGVANEHPNDOFNC-UHFFFAOYSA-N 0 0 438.880 4.124 50 0 IIAARN C[C@@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000032936899 556678772 /nfs/dbraw/zinc/67/87/72/556678772.db2.gz JRZZETCYZMPJSX-LBPRGKRZSA-N 0 0 440.443 4.144 50 0 IIAARN CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011997107 556679077 /nfs/dbraw/zinc/67/90/77/556679077.db2.gz FXUJDEFGFRLUEA-GFCCVEGCSA-N 0 0 449.882 4.291 50 0 IIAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl ZINC000033325445 556679675 /nfs/dbraw/zinc/67/96/75/556679675.db2.gz QKJUIILKDHIIJA-CQSZACIVSA-N 0 0 435.958 4.185 50 0 IIAARN O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000060322742 556684795 /nfs/dbraw/zinc/68/47/95/556684795.db2.gz ZXYJADRXJWSUGY-HXUWFJFHSA-N 0 0 442.562 4.010 50 0 IIAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 ZINC000018148878 556684959 /nfs/dbraw/zinc/68/49/59/556684959.db2.gz UILJWMXNKDWNKM-HZPDHXFCSA-N 0 0 426.266 4.124 50 0 IIAARN CC[C@H](NC(=O)N1c2ccc(OC)cc2C(C)=CC1(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018180369 556685776 /nfs/dbraw/zinc/68/57/76/556685776.db2.gz BFHXDJANXSZYOJ-BBTUJRGHSA-N 0 0 439.556 4.318 50 0 IIAARN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C(=O)OC)=C1C ZINC000002185486 556686676 /nfs/dbraw/zinc/68/66/76/556686676.db2.gz VCCZUVOUSMLDJI-KGENOOAVSA-N 0 0 442.943 4.457 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)C1 ZINC000010640653 556686867 /nfs/dbraw/zinc/68/68/67/556686867.db2.gz PHTHBMSDHOJEDS-MRXNPFEDSA-N 0 0 429.517 4.009 50 0 IIAARN CC[C@H](C)NC(=O)CSc1nc2cc(-c3ccccc3)[nH]c2c(=O)n1Cc1ccccc1 ZINC000033022304 556687413 /nfs/dbraw/zinc/68/74/13/556687413.db2.gz HUIHMVCUKPPRQE-KRWDZBQOSA-N 0 0 446.576 4.447 50 0 IIAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000072313114 556688229 /nfs/dbraw/zinc/68/82/29/556688229.db2.gz UXLKNSMLHYHBCE-NRFANRHFSA-N 0 0 438.553 4.028 50 0 IIAARN COC(=O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000856858 556689725 /nfs/dbraw/zinc/68/97/25/556689725.db2.gz MPGRRLQAURLYFZ-UHFFFAOYSA-N 0 0 437.536 4.212 50 0 IIAARN Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1ccc(Br)cc1 ZINC000046023972 556691136 /nfs/dbraw/zinc/69/11/36/556691136.db2.gz DVMYHJLJLZHQFS-UHFFFAOYSA-N 0 0 442.342 4.413 50 0 IIAARN COc1cc(OC)c(Nc2nc3ccccc3nc2C(=O)OC[C@@H]2CCCO2)cc1Cl ZINC000046141182 556692472 /nfs/dbraw/zinc/69/24/72/556692472.db2.gz WBWAOCSCTARFDM-ZDUSSCGKSA-N 0 0 443.887 4.380 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NCc1ccccn1 ZINC000046141434 556692988 /nfs/dbraw/zinc/69/29/88/556692988.db2.gz JUCWVQYAMMJIEJ-UHFFFAOYSA-N 0 0 446.941 4.300 50 0 IIAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)c3cccc(C)c3)ccc2n1C ZINC000033025948 556702009 /nfs/dbraw/zinc/70/20/09/556702009.db2.gz QBVXQCJIRFPNGH-UHFFFAOYSA-N 0 0 442.519 4.115 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc4nccnc43)C2)cc1 ZINC000072314641 556704074 /nfs/dbraw/zinc/70/40/74/556704074.db2.gz OAIGKZMCYQWYFA-HSZRJFAPSA-N 0 0 444.516 4.178 50 0 IIAARN CC(C)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027100 556704474 /nfs/dbraw/zinc/70/44/74/556704474.db2.gz ANTZAARQCKLWBW-UHFFFAOYSA-N 0 0 430.917 4.161 50 0 IIAARN Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)NCCC(C)C)c2)s1 ZINC000033027304 556706448 /nfs/dbraw/zinc/70/64/48/556706448.db2.gz QYYFLKSGZZRVPY-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN Cc1nc(-c2ccccn2)sc1C(=O)OCc1cc2c(cc1Br)OCCO2 ZINC000011123778 556710152 /nfs/dbraw/zinc/71/01/52/556710152.db2.gz WCQBCLGEBLNLHR-UHFFFAOYSA-N 0 0 447.310 4.404 50 0 IIAARN Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)s2)c1 ZINC000033031758 556711660 /nfs/dbraw/zinc/71/16/60/556711660.db2.gz ZXZNDENZKRFADM-UHFFFAOYSA-N 0 0 436.537 4.350 50 0 IIAARN CN1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)C[C@H]1c1ccccc1 ZINC000019225619 556716997 /nfs/dbraw/zinc/71/69/97/556716997.db2.gz UCCIVEZKDLIGBH-NRFANRHFSA-N 0 0 445.441 4.401 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2cccnc2)CO4)c(OC)c1 ZINC000013729644 556721561 /nfs/dbraw/zinc/72/15/61/556721561.db2.gz VGQDFZLIOYCOAA-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN COc1ccc(C2(CNC(=O)c3cn(C(C)C)c(=O)c4ccccc34)CCOCC2)cc1 ZINC000072324948 556722732 /nfs/dbraw/zinc/72/27/32/556722732.db2.gz MKXPYENHSLNINB-UHFFFAOYSA-N 0 0 434.536 4.069 50 0 biogenic IIAARN Cc1sc2nc(CN3CCC(C)CC3)nc(NCCc3nnc4ccccn43)c2c1C ZINC000019309470 556735262 /nfs/dbraw/zinc/73/52/62/556735262.db2.gz QPZZOUYXAMWPNT-UHFFFAOYSA-N 0 0 435.601 4.237 50 0 IIAARN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000078737226 556735411 /nfs/dbraw/zinc/73/54/11/556735411.db2.gz YIMLBFZTICFFQC-UHFFFAOYSA-N 0 0 437.500 4.193 50 0 IIAARN CCCO[C@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271197 556739488 /nfs/dbraw/zinc/73/94/88/556739488.db2.gz ZZIPWDVOBHCPBR-QHCPKHFHSA-N 0 0 448.611 4.348 50 0 IIAARN C[C@@H]1CCC[C@H](N2C(=O)N[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C2=O)[C@@H]1C ZINC000005215211 556739927 /nfs/dbraw/zinc/73/99/27/556739927.db2.gz CDTOJBWUWRECHM-DHYLWCPWSA-N 0 0 431.499 4.303 50 0 IIAARN CCOC(=O)C1=C(CSc2nc(C)c(C)n2C2CCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000019354050 556745025 /nfs/dbraw/zinc/74/50/25/556745025.db2.gz UQNYGULKDMICNL-LJQANCHMSA-N 0 0 444.557 4.171 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000057234789 556746749 /nfs/dbraw/zinc/74/67/49/556746749.db2.gz BTTKTGJAXPQIIA-UHFFFAOYSA-N 0 0 449.526 4.174 50 0 IIAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)n[nH]c3C)n2CC(C)C)cc1 ZINC000058022515 556754582 /nfs/dbraw/zinc/75/45/82/556754582.db2.gz JZYHIZUPIYHLNA-UHFFFAOYSA-N 0 0 442.589 4.146 50 0 IIAARN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000058109550 556758772 /nfs/dbraw/zinc/75/87/72/556758772.db2.gz KQIKIWMAZFRAFG-ZDUSSCGKSA-N 0 0 432.293 4.166 50 0 IIAARN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000058109544 556758801 /nfs/dbraw/zinc/75/88/01/556758801.db2.gz KQIKIWMAZFRAFG-CYBMUJFWSA-N 0 0 432.293 4.166 50 0 IIAARN CCOC(=O)c1cc2cc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)ccc2s1 ZINC000058112424 556758996 /nfs/dbraw/zinc/75/89/96/556758996.db2.gz GLXJKDHBTDJLQX-QZTJIDSGSA-N 0 0 432.542 4.270 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000058115406 556759262 /nfs/dbraw/zinc/75/92/62/556759262.db2.gz XYHONLPLQYOCGS-ROUUACIJSA-N 0 0 426.529 4.447 50 0 IIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000011170863 556761374 /nfs/dbraw/zinc/76/13/74/556761374.db2.gz TZBRQADWSOJSIZ-JOCHJYFZSA-N 0 0 425.872 4.361 50 0 IIAARN Cc1nc(COc2cccc(C(=O)N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)c2)cs1 ZINC000058157664 556763014 /nfs/dbraw/zinc/76/30/14/556763014.db2.gz UDPFCHMDTYOZLN-INIZCTEOSA-N 0 0 429.586 4.043 50 0 IIAARN C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000061984085 556763128 /nfs/dbraw/zinc/76/31/28/556763128.db2.gz HRFUAHQCAKEWPY-HNNXBMFYSA-N 0 0 445.504 4.154 50 0 IIAARN COc1ccccc1NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000062001486 556764358 /nfs/dbraw/zinc/76/43/58/556764358.db2.gz HGBVZUBPOLBUES-NTEUORMPSA-N 0 0 425.481 4.296 50 0 biogenic IIAARN O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1cccc(Br)c1 ZINC000062007334 556765615 /nfs/dbraw/zinc/76/56/15/556765615.db2.gz WVMVSOYYXLBBRC-UHFFFAOYSA-N 0 0 436.309 4.253 50 0 IIAARN Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccc(C)cc4)csc3[nH]2)cc1 ZINC000058170284 556767635 /nfs/dbraw/zinc/76/76/35/556767635.db2.gz LZPBQXQTAFQGJT-UHFFFAOYSA-N 0 0 432.549 4.339 50 0 IIAARN Cc1ccc(Nc2nc(COC(=O)C3CCN(C(=O)c4ccco4)CC3)cs2)cc1 ZINC000019482388 556768382 /nfs/dbraw/zinc/76/83/82/556768382.db2.gz AAVXZAQJKUJIKL-UHFFFAOYSA-N 0 0 425.510 4.384 50 0 IIAARN CSc1ccc2cc(COC(=O)Cc3csc(N4CCCC4=O)n3)c(Cl)nc2c1 ZINC000019476922 556768385 /nfs/dbraw/zinc/76/83/85/556768385.db2.gz MPSCVTCKNFSXFW-UHFFFAOYSA-N 0 0 447.969 4.479 50 0 IIAARN C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000019476498 556768436 /nfs/dbraw/zinc/76/84/36/556768436.db2.gz URHXGCOQKSXZBY-INIZCTEOSA-N 0 0 449.532 4.050 50 0 IIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)cc1OC ZINC000058224931 556773531 /nfs/dbraw/zinc/77/35/31/556773531.db2.gz CRORROJOGPAZRJ-HSZRJFAPSA-N 0 0 444.915 4.084 50 0 IIAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(O)c1 ZINC000058225817 556773696 /nfs/dbraw/zinc/77/36/96/556773696.db2.gz MWBQRSBJUWWNMD-QGZVFWFLSA-N 0 0 436.533 4.025 50 0 IIAARN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000058391632 556784913 /nfs/dbraw/zinc/78/49/13/556784913.db2.gz ZJBBUQOIZRGFFP-UHFFFAOYSA-N 0 0 426.923 4.173 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccc(NCC2CCCC2)cc1 ZINC000058411434 556786356 /nfs/dbraw/zinc/78/63/56/556786356.db2.gz YNCSKDFSOZZEIC-UHFFFAOYSA-N 0 0 446.573 4.192 50 0 IIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 ZINC000058425178 556787777 /nfs/dbraw/zinc/78/77/77/556787777.db2.gz NNJICSZHJFPVGJ-HUUCEWRRSA-N 0 0 425.460 4.355 50 0 IIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000058952729 556793326 /nfs/dbraw/zinc/79/33/26/556793326.db2.gz VNQJKDBQNODSFB-AWEZNQCLSA-N 0 0 442.972 4.322 50 0 IIAARN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000059301426 556797440 /nfs/dbraw/zinc/79/74/40/556797440.db2.gz HUXYUGNRSGYMEY-XXBNENTESA-N 0 0 442.494 4.086 50 0 IIAARN Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)nn2)n1 ZINC000062163468 556797900 /nfs/dbraw/zinc/79/79/00/556797900.db2.gz CBUZROHWOOZKAC-UHFFFAOYSA-N 0 0 444.461 4.153 50 0 IIAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002651659 556802488 /nfs/dbraw/zinc/80/24/88/556802488.db2.gz SHBUNYKWSYHHPF-UHFFFAOYSA-N 0 0 430.354 4.106 50 0 IIAARN CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000059853382 556805323 /nfs/dbraw/zinc/80/53/23/556805323.db2.gz UHPXMBPVSZNSSK-UHFFFAOYSA-N 0 0 426.325 4.254 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2OC(F)F)ccc1OC(F)F ZINC000003244189 556806830 /nfs/dbraw/zinc/80/68/30/556806830.db2.gz IVDSRIOZOWDOKS-VQHVLOKHSA-N 0 0 443.349 4.093 50 0 IIAARN CC(C)[C@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(=O)NC(N)=O ZINC000003324009 556810409 /nfs/dbraw/zinc/81/04/09/556810409.db2.gz XFTZHLQLJPUTGE-INIZCTEOSA-N 0 0 437.468 4.121 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c1C ZINC000003302341 556811492 /nfs/dbraw/zinc/81/14/92/556811492.db2.gz ZZXLZPKCKXKBTL-UHFFFAOYSA-N 0 0 434.492 4.275 50 0 IIAARN COCCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 ZINC000003347291 556813571 /nfs/dbraw/zinc/81/35/71/556813571.db2.gz FALJXQMMEMXFGJ-UHFFFAOYSA-N 0 0 438.887 4.254 50 0 IIAARN C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000003449675 556816074 /nfs/dbraw/zinc/81/60/74/556816074.db2.gz BNKHEFQTJVGYAW-GFCCVEGCSA-N 0 0 438.427 4.104 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000003483499 556816619 /nfs/dbraw/zinc/81/66/19/556816619.db2.gz QSSRAJLVJPOQKL-UHFFFAOYSA-N 0 0 439.921 4.105 50 0 IIAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 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ZINC000064816798 556827579 /nfs/dbraw/zinc/82/75/79/556827579.db2.gz PHQNRTVKJPDIDE-UHFFFAOYSA-N 0 0 444.535 4.122 50 0 IIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 ZINC000064892568 556828033 /nfs/dbraw/zinc/82/80/33/556828033.db2.gz UYNUXDIJXKLLCT-DEOSSOPVSA-N 0 0 449.532 4.036 50 0 IIAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)nn1-c1cccc(Cl)c1 ZINC000064949857 556829386 /nfs/dbraw/zinc/82/93/86/556829386.db2.gz IOGGSALNLDDZKG-UHFFFAOYSA-N 0 0 444.834 4.485 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(C)ccc4C)cc32)c1 ZINC000065002962 556831259 /nfs/dbraw/zinc/83/12/59/556831259.db2.gz LGSLQVFWZIFHFH-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN C[C@@H]1Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000065003540 556831509 /nfs/dbraw/zinc/83/15/09/556831509.db2.gz RAANEXRSAPCUCB-MRXNPFEDSA-N 0 0 440.952 4.410 50 0 IIAARN COc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(C)cc2)cc3=O)c1 ZINC000065305090 556833241 /nfs/dbraw/zinc/83/32/41/556833241.db2.gz 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O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998291 556840777 /nfs/dbraw/zinc/84/07/77/556840777.db2.gz AYAICHUYFWMIGT-UHFFFAOYSA-N 0 0 442.541 4.024 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000019676484 556841583 /nfs/dbraw/zinc/84/15/83/556841583.db2.gz OBPYMIWGLJGTSY-MHZLTWQESA-N 0 0 439.515 4.421 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC000008685360 556844831 /nfs/dbraw/zinc/84/48/31/556844831.db2.gz APGDEZKXZVBWLL-GFCCVEGCSA-N 0 0 442.295 4.308 50 0 IIAARN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(Cc3ncc[nH]3)C4)nc12 ZINC000067772718 556846566 /nfs/dbraw/zinc/84/65/66/556846566.db2.gz BEMMCEMZLCKZTJ-UHFFFAOYSA-N 0 0 430.508 4.345 50 0 IIAARN COC(=O)c1c(NC(=O)COC(=O)c2cc3ccccc3cc2O)sc2c1CCCC2 ZINC000003275093 556850720 /nfs/dbraw/zinc/85/07/20/556850720.db2.gz PRGCNUSQCFMDOL-UHFFFAOYSA-N 0 0 439.489 4.068 50 0 IIAARN C=Cc1ccc(CSc2nc3cc(C(=O)NCCC)ccc3c(=O)n2CCOC)cc1 ZINC000033076925 556853060 /nfs/dbraw/zinc/85/30/60/556853060.db2.gz WGMNDIHNWFGAPH-UHFFFAOYSA-N 0 0 437.565 4.118 50 0 IIAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CSCc3ccc(F)cc3)cc12 ZINC000033084534 556854830 /nfs/dbraw/zinc/85/48/30/556854830.db2.gz NJEJVVGFWSVXRJ-UHFFFAOYSA-N 0 0 425.529 4.391 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000033085313 556855389 /nfs/dbraw/zinc/85/53/89/556855389.db2.gz NZEDTKLLKUXLGL-UHFFFAOYSA-N 0 0 438.959 4.373 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccccc3)cc(C)c2c1 ZINC000033087762 556855566 /nfs/dbraw/zinc/85/55/66/556855566.db2.gz PYOLDMMYNJFGSC-UHFFFAOYSA-N 0 0 443.594 4.305 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCc2nc(CSc3nc4cc(C)ccc4[nH]3)no2)c1 ZINC000033087421 556857627 /nfs/dbraw/zinc/85/76/27/556857627.db2.gz HCZKIPOZGRLEBA-UHFFFAOYSA-N 0 0 435.509 4.321 50 0 IIAARN O=C(NCc1ccccc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106584 556859243 /nfs/dbraw/zinc/85/92/43/556859243.db2.gz POXKTOWAGGPYIW-UHFFFAOYSA-N 0 0 425.536 4.116 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000033113345 556860202 /nfs/dbraw/zinc/86/02/02/556860202.db2.gz ANPJVRLXXBSKBA-LJQANCHMSA-N 0 0 449.580 4.496 50 0 IIAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2noc3ccccc32)CC1 ZINC000033121361 556862770 /nfs/dbraw/zinc/86/27/70/556862770.db2.gz BXJIJSQJQLRSOU-UHFFFAOYSA-N 0 0 439.581 4.382 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2cccc(OC)c2)cc1 ZINC000033121944 556863050 /nfs/dbraw/zinc/86/30/50/556863050.db2.gz DCRBGHQVEDXFRM-UHFFFAOYSA-N 0 0 433.537 4.336 50 0 IIAARN COc1ccc(OC)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127834 556864785 /nfs/dbraw/zinc/86/47/85/556864785.db2.gz RYZLRVJNUKMVHL-QHCPKHFHSA-N 0 0 431.492 4.156 50 0 IIAARN COc1ccc(C)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127995 556864846 /nfs/dbraw/zinc/86/48/46/556864846.db2.gz XMJBPQAIJLBQHL-QFIPXVFZSA-N 0 0 429.520 4.326 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCCc3cccs3)ccc2=O)cc1Cl ZINC000033128249 556865220 /nfs/dbraw/zinc/86/52/20/556865220.db2.gz JXFNANVNRULSAV-AWEZNQCLSA-N 0 0 433.986 4.095 50 0 IIAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 ZINC000004670606 556866004 /nfs/dbraw/zinc/86/60/04/556866004.db2.gz BYGWVZCDCPYFKE-GDLZYMKVSA-N 0 0 429.929 4.328 50 0 IIAARN Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3ccc(Br)cc3)ccc2=O)cc1C ZINC000033125416 556866493 /nfs/dbraw/zinc/86/64/93/556866493.db2.gz OOOZYHRRZSAOJM-HNNXBMFYSA-N 0 0 442.313 4.018 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000033126046 556866710 /nfs/dbraw/zinc/86/67/10/556866710.db2.gz XNKOMXPEAVKBSR-UHFFFAOYSA-N 0 0 435.634 4.233 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000033130155 556870169 /nfs/dbraw/zinc/87/01/69/556870169.db2.gz WATBROKVQFJBLK-UHFFFAOYSA-N 0 0 427.448 4.452 50 0 IIAARN CCCCN(C)c1ccc2nnc(CCc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2n1 ZINC000033130646 556870875 /nfs/dbraw/zinc/87/08/75/556870875.db2.gz YNORIURIKQBTKB-UHFFFAOYSA-N 0 0 445.449 4.215 50 0 IIAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)c1=O ZINC000033171752 556882666 /nfs/dbraw/zinc/88/26/66/556882666.db2.gz HBUAYOPYYOHFMJ-UHFFFAOYSA-N 0 0 441.487 4.497 50 0 IIAARN CCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)nc2cccnc21 ZINC000033170276 556885647 /nfs/dbraw/zinc/88/56/47/556885647.db2.gz YKSQZPDBVBPNHY-UHFFFAOYSA-N 0 0 436.874 4.201 50 0 IIAARN CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1 ZINC000033170486 556885934 /nfs/dbraw/zinc/88/59/34/556885934.db2.gz DKYRHWAQENSWQY-UHFFFAOYSA-N 0 0 432.505 4.234 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCc2ccccc2C)c1 ZINC000033170613 556886110 /nfs/dbraw/zinc/88/61/10/556886110.db2.gz YCBJVVWJHNPSMY-QXMHVHEDSA-N 0 0 439.537 4.207 50 0 IIAARN C[C@@H]1CCCN(c2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc32)C1 ZINC000033175212 556886619 /nfs/dbraw/zinc/88/66/19/556886619.db2.gz HSIQTRDFECPAGA-OAHLLOKOSA-N 0 0 444.457 4.290 50 0 IIAARN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000033230087 556888629 /nfs/dbraw/zinc/88/86/29/556888629.db2.gz CQQQECBAWOGBRE-LJQANCHMSA-N 0 0 437.471 4.333 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c(OC)c1 ZINC000033249849 556891274 /nfs/dbraw/zinc/89/12/74/556891274.db2.gz ZIPKMDKUAMHULL-UHFFFAOYSA-N 0 0 436.899 4.330 50 0 IIAARN COc1cc2c(cc1NC(=O)N1C[C@H]3C[C@@H](C1)Cn1c(=O)cccc13)oc1ccccc12 ZINC000016039981 556892109 /nfs/dbraw/zinc/89/21/09/556892109.db2.gz IIGVZMGXKYPKQJ-JKSUJKDBSA-N 0 0 429.476 4.408 50 0 biogenic IIAARN O=C(Nc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000033252020 556892428 /nfs/dbraw/zinc/89/24/28/556892428.db2.gz VVVALVCZCIUFJR-OAQYLSRUSA-N 0 0 432.973 4.401 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)c1 ZINC000033252360 556892904 /nfs/dbraw/zinc/89/29/04/556892904.db2.gz CJHDBZCWYLVZBA-UHFFFAOYSA-N 0 0 440.503 4.375 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000033255272 556894731 /nfs/dbraw/zinc/89/47/31/556894731.db2.gz UGLYOGWMKHILHV-UHFFFAOYSA-N 0 0 438.459 4.464 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(NC(=O)NC(C)C)cc4)no3)CC2=O)cc1C ZINC000033257163 556895624 /nfs/dbraw/zinc/89/56/24/556895624.db2.gz KDAQURPDKCQXTO-SFHVURJKSA-N 0 0 433.512 4.404 50 0 IIAARN CCCNC(=O)Nc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000033257130 556895656 /nfs/dbraw/zinc/89/56/56/556895656.db2.gz VSNRQJVDZZZHQK-HNNXBMFYSA-N 0 0 439.903 4.442 50 0 IIAARN O=C(NC1CCCCC1)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260145 556896989 /nfs/dbraw/zinc/89/69/89/556896989.db2.gz PQBYOEJDKUWFPE-UHFFFAOYSA-N 0 0 438.963 4.110 50 0 IIAARN CCCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000072193851 556900513 /nfs/dbraw/zinc/90/05/13/556900513.db2.gz JIKNVPNXOGKNSC-MHZLTWQESA-N 0 0 443.499 4.375 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1OCc1ccccc1 ZINC000019790241 556914975 /nfs/dbraw/zinc/91/49/75/556914975.db2.gz HAEKPODVRMYRLL-UHFFFAOYSA-N 0 0 434.511 4.371 50 0 IIAARN CC(=O)O[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019808275 556918343 /nfs/dbraw/zinc/91/83/43/556918343.db2.gz FEVCCASQPMYOGA-AREMUKBSSA-N 0 0 428.532 4.225 50 0 IIAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000019811693 556919096 /nfs/dbraw/zinc/91/90/96/556919096.db2.gz WGCOVDZJEVBRMT-IBGZPJMESA-N 0 0 444.457 4.345 50 0 IIAARN COc1ccc(-n2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)c(OC)c1 ZINC000019821347 556924455 /nfs/dbraw/zinc/92/44/55/556924455.db2.gz PKTHIWYFCMFHPI-UHFFFAOYSA-N 0 0 430.439 4.165 50 0 IIAARN O=C(CS(=O)(=O)c1ccc(Br)c2ccccc21)Nc1ccc(Cl)cn1 ZINC000019852079 556930839 /nfs/dbraw/zinc/93/08/39/556930839.db2.gz JXCNUMPXXRDSCN-UHFFFAOYSA-N 0 0 439.718 4.063 50 0 IIAARN COc1ccc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019880172 556936903 /nfs/dbraw/zinc/93/69/03/556936903.db2.gz FIFUGZVCTISHPL-UHFFFAOYSA-N 0 0 430.548 4.180 50 0 IIAARN COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000019888697 556938552 /nfs/dbraw/zinc/93/85/52/556938552.db2.gz ZUBFAXSBLOIDHF-UHFFFAOYSA-N 0 0 446.547 4.094 50 0 IIAARN COc1ccc(CCN2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1OC ZINC000019890945 556939523 /nfs/dbraw/zinc/93/95/23/556939523.db2.gz RRBLHFWOMCUJJV-UHFFFAOYSA-N 0 0 435.520 4.392 50 0 biogenic IIAARN O=C(CSc1nnc(CNc2ccccc2F)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000019897518 556940614 /nfs/dbraw/zinc/94/06/14/556940614.db2.gz MEWGULFTZYEQJV-KRWDZBQOSA-N 0 0 426.517 4.183 50 0 IIAARN COC(=O)[C@@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000019907325 556942598 /nfs/dbraw/zinc/94/25/98/556942598.db2.gz CVDHVRYSSGYHQW-ZEQRLZLVSA-N 0 0 432.495 4.488 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc(Br)cc1 ZINC000019944838 556954314 /nfs/dbraw/zinc/95/43/14/556954314.db2.gz RXHVNJHUMDWFRZ-DHDCSXOGSA-N 0 0 440.721 4.142 50 0 IIAARN Cc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1cccc(Cl)c1 ZINC000019962570 556955933 /nfs/dbraw/zinc/95/59/33/556955933.db2.gz SEWGMANRRSGCAN-UHFFFAOYSA-N 0 0 430.851 4.391 50 0 IIAARN S=C(c1cn(CCOc2ccccc2)c2ccc(Br)cc12)N1CCOCC1 ZINC000020034631 556969755 /nfs/dbraw/zinc/96/97/55/556969755.db2.gz JWHNFNVSPOZSLP-UHFFFAOYSA-N 0 0 445.382 4.491 50 0 IIAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N2CCCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000033264002 556973718 /nfs/dbraw/zinc/97/37/18/556973718.db2.gz JJOBHOFTVQNDEC-SFHVURJKSA-N 0 0 443.613 4.283 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1C ZINC000033265876 556976645 /nfs/dbraw/zinc/97/66/45/556976645.db2.gz PRFRAMLHHYHPSE-UHFFFAOYSA-N 0 0 448.592 4.120 50 0 IIAARN COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CN(Cc2ccccc2)CC5)cc1 ZINC000020079596 556978556 /nfs/dbraw/zinc/97/85/56/556978556.db2.gz BVRSTJQQYIACDN-UHFFFAOYSA-N 0 0 441.560 4.497 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095613 556979481 /nfs/dbraw/zinc/97/94/81/556979481.db2.gz ZMITUWBNDKOXHZ-QFIPXVFZSA-N 0 0 445.519 4.166 50 0 IIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCn1cnc2sccc2c1=O ZINC000011237354 556979636 /nfs/dbraw/zinc/97/96/36/556979636.db2.gz BWBRVCGFJYOBBL-UHFFFAOYSA-N 0 0 427.913 4.420 50 0 IIAARN COc1cccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)CC2)c1 ZINC000020101904 556980571 /nfs/dbraw/zinc/98/05/71/556980571.db2.gz MJPGLPVLGBNGAF-FQEVSTJZSA-N 0 0 428.536 4.033 50 0 IIAARN CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033268630 556985364 /nfs/dbraw/zinc/98/53/64/556985364.db2.gz UCADDSIYQGPMEC-UHFFFAOYSA-N 0 0 429.476 4.233 50 0 IIAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000033268785 556985799 /nfs/dbraw/zinc/98/57/99/556985799.db2.gz NDJRJISYUNIADP-KRWDZBQOSA-N 0 0 427.957 4.261 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SC[C@@H](O)c2ccc(F)cc2F)nc1 ZINC000097118896 556991473 /nfs/dbraw/zinc/99/14/73/556991473.db2.gz VHVZMVVMLHJTPF-LJQANCHMSA-N 0 0 425.460 4.193 50 0 IIAARN CC(C)c1cc(N(C)Cc2nccn2C(F)F)nc(N(C)Cc2nccn2C(F)F)n1 ZINC000097141285 556992724 /nfs/dbraw/zinc/99/27/24/556992724.db2.gz UYWROWAEGMVWND-UHFFFAOYSA-N 0 0 440.449 4.056 50 0 IIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CN1CCOCC1 ZINC000020171843 556994807 /nfs/dbraw/zinc/99/48/07/556994807.db2.gz UBJVSEFSDIKCAH-SANMLTNESA-N 0 0 443.547 4.294 50 0 IIAARN CC(C)(C)c1cc([C@@H](c2ccncc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O ZINC000020192130 556996313 /nfs/dbraw/zinc/99/63/13/556996313.db2.gz NRTPCGCHVLRMHY-HSZRJFAPSA-N 0 0 425.617 4.082 50 0 IIAARN O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000077197558 556996823 /nfs/dbraw/zinc/99/68/23/556996823.db2.gz MIKNJMNCHWTKHM-QGZVFWFLSA-N 0 0 436.537 4.127 50 0 IIAARN Cc1nc2cc(OCc3cc(C(=O)N4CCN(C)[C@@H](c5ccccc5)C4)no3)ccc2s1 ZINC000020210162 556998632 /nfs/dbraw/zinc/99/86/32/556998632.db2.gz FIWMLSJKUHJFAP-JOCHJYFZSA-N 0 0 448.548 4.301 50 0 IIAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)/C=C/c3ccc4c(c3)OCO4)nc21 ZINC000023108242 557003497 /nfs/dbraw/zinc/00/34/97/557003497.db2.gz GEZMDAURMJMEOB-XAVKZTDYSA-N 0 0 438.505 4.259 50 0 IIAARN O=C(C1CCN(C(=O)c2cccnc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000032941863 557006185 /nfs/dbraw/zinc/00/61/85/557006185.db2.gz BCELLHJQXKKJQM-UHFFFAOYSA-N 0 0 427.548 4.205 50 0 IIAARN O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020328071 557007967 /nfs/dbraw/zinc/00/79/67/557007967.db2.gz QWRBQFCSOXAQIB-RUZDIDTESA-N 0 0 443.522 4.253 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)cc1 ZINC000020355930 557010047 /nfs/dbraw/zinc/01/00/47/557010047.db2.gz UTNSJVOJPANANC-QFBILLFUSA-N 0 0 435.553 4.409 50 0 IIAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2Br)n1 ZINC000032942898 557011913 /nfs/dbraw/zinc/01/19/13/557011913.db2.gz DFIDTAHAIKMMDT-UHFFFAOYSA-N 0 0 431.153 4.349 50 0 IIAARN Cc1cccc(C(=O)Nc2ccccc2N2CCN(Cc3nc4ccccc4n3C)CC2)c1 ZINC000020408019 557013956 /nfs/dbraw/zinc/01/39/56/557013956.db2.gz HFOFRNFEUQIGOX-UHFFFAOYSA-N 0 0 439.563 4.456 50 0 IIAARN O=C(c1cncc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020412140 557014161 /nfs/dbraw/zinc/01/41/61/557014161.db2.gz JHVTZMVHJXKGPV-UHFFFAOYSA-N 0 0 436.353 4.392 50 0 IIAARN COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000020427350 557015879 /nfs/dbraw/zinc/01/58/79/557015879.db2.gz UUIFQJOWIIQHSS-UHFFFAOYSA-N 0 0 429.505 4.253 50 0 IIAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000020436638 557016436 /nfs/dbraw/zinc/01/64/36/557016436.db2.gz XRBHRRGDOJMJJN-UHFFFAOYSA-N 0 0 425.916 4.279 50 0 IIAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)N3CCc4ccccc4C3)cc(-c3ccccc3)c12 ZINC000045992173 557017989 /nfs/dbraw/zinc/01/79/89/557017989.db2.gz ULDMRAMLCDHWGX-GOSISDBHSA-N 0 0 426.520 4.296 50 0 IIAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000046004170 557019039 /nfs/dbraw/zinc/01/90/39/557019039.db2.gz DNLBOIBOTIORNS-UHFFFAOYSA-N 0 0 449.532 4.022 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1-c1nc(CC)no1 ZINC000046020162 557020983 /nfs/dbraw/zinc/02/09/83/557020983.db2.gz HJARGHNXLRSBBG-UHFFFAOYSA-N 0 0 435.933 4.172 50 0 IIAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCCc1ccc(F)cc1 ZINC000023138271 557021345 /nfs/dbraw/zinc/02/13/45/557021345.db2.gz WDTSYOIJYUIKGN-UHFFFAOYSA-N 0 0 431.920 4.168 50 0 IIAARN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000072023567 557021680 /nfs/dbraw/zinc/02/16/80/557021680.db2.gz BAZIINHQWDFFGN-UHFFFAOYSA-N 0 0 430.426 4.025 50 0 IIAARN CC[C@]1(c2ccc(NC(=O)c3csc(-c4ccsc4)n3)cc2)CCC(=O)NC1=O ZINC000072023212 557021735 /nfs/dbraw/zinc/02/17/35/557021735.db2.gz YAIIAZHBLMDMMY-OAQYLSRUSA-N 0 0 425.535 4.208 50 0 IIAARN O=C(C1CC1)N1CCSc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000032943956 557022316 /nfs/dbraw/zinc/02/23/16/557022316.db2.gz UNOLRRDZFDKTMB-UHFFFAOYSA-N 0 0 442.484 4.355 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)c1C ZINC000023140095 557022685 /nfs/dbraw/zinc/02/26/85/557022685.db2.gz VHZRVBOXLPJSFH-UHFFFAOYSA-N 0 0 439.610 4.212 50 0 IIAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000010745186 557023552 /nfs/dbraw/zinc/02/35/52/557023552.db2.gz OLGSWAYHVQEOOD-UHFFFAOYSA-N 0 0 438.549 4.237 50 0 IIAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045320 557025410 /nfs/dbraw/zinc/02/54/10/557025410.db2.gz GPBZRSBSEORYPS-HSZRJFAPSA-N 0 0 430.548 4.336 50 0 IIAARN O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000046053579 557026652 /nfs/dbraw/zinc/02/66/52/557026652.db2.gz QSZBCJLMMLFCSG-KRWDZBQOSA-N 0 0 425.504 4.088 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 ZINC000010843797 557035059 /nfs/dbraw/zinc/03/50/59/557035059.db2.gz UDLMZNOLXAYKRP-UHFFFAOYSA-N 0 0 449.960 4.347 50 0 IIAARN CCn1nnc2cc(C(=O)OCc3csc(CC(=O)Nc4cc(C)ccc4C)n3)ccc21 ZINC000010856362 557040414 /nfs/dbraw/zinc/04/04/14/557040414.db2.gz VCAVSONRWBOGLU-UHFFFAOYSA-N 0 0 449.536 4.063 50 0 IIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2C1 ZINC000017246240 557041320 /nfs/dbraw/zinc/04/13/20/557041320.db2.gz BGVMPABRJTVSSH-OAGGEKHMSA-N 0 0 447.626 4.187 50 0 IIAARN C=Cc1ccc(CN2c3cc(C(=O)OC)ccc3S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000032947284 557041716 /nfs/dbraw/zinc/04/17/16/557041716.db2.gz NDVVNYURFRNTFU-UHFFFAOYSA-N 0 0 433.485 4.109 50 0 IIAARN CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000051357773 557044833 /nfs/dbraw/zinc/04/48/33/557044833.db2.gz TTZWJLBSZGXGHK-UHFFFAOYSA-N 0 0 433.430 4.011 50 0 IIAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)cc1C ZINC000033270985 557048286 /nfs/dbraw/zinc/04/82/86/557048286.db2.gz ZUNDEPKPJWXDTI-UHFFFAOYSA-N 0 0 434.525 4.335 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000017272050 557049396 /nfs/dbraw/zinc/04/93/96/557049396.db2.gz MBLBFNFKOGJSIQ-ZDUSSCGKSA-N 0 0 442.566 4.082 50 0 IIAARN COc1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1N1CCCCC1=O ZINC000048249949 557051544 /nfs/dbraw/zinc/05/15/44/557051544.db2.gz ZMZPGJWPQLNZKN-UHFFFAOYSA-N 0 0 438.528 4.250 50 0 IIAARN Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)cc1 ZINC000033273539 557051771 /nfs/dbraw/zinc/05/17/71/557051771.db2.gz SZVNMEVXOQKONA-UHFFFAOYSA-N 0 0 434.540 4.136 50 0 IIAARN Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)sc1-c1ccccc1 ZINC000048287213 557052851 /nfs/dbraw/zinc/05/28/51/557052851.db2.gz MZOITTISNXVRAG-UHFFFAOYSA-N 0 0 431.539 4.057 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1 ZINC000017307448 557053817 /nfs/dbraw/zinc/05/38/17/557053817.db2.gz WHBXRFWIHLFOTG-UHFFFAOYSA-N 0 0 433.512 4.016 50 0 IIAARN CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2nc1CC ZINC000022973999 557055437 /nfs/dbraw/zinc/05/54/37/557055437.db2.gz OCUXYXRWOLPZQB-IAGOWNOFSA-N 0 0 446.551 4.256 50 0 IIAARN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc2C1 ZINC000017322113 557058500 /nfs/dbraw/zinc/05/85/00/557058500.db2.gz GBHZOMDWEZIUGH-UHFFFAOYSA-N 0 0 444.915 4.478 50 0 IIAARN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(Br)c1OC ZINC000019877797 557059127 /nfs/dbraw/zinc/05/91/27/557059127.db2.gz CXTAXDCNJNISNV-MRXNPFEDSA-N 0 0 436.346 4.255 50 0 IIAARN CCOc1ccccc1NC(=O)CCn1cnc2c(-c3ccc(CC)cc3)noc2c1=O ZINC000033277754 557059484 /nfs/dbraw/zinc/05/94/84/557059484.db2.gz QQGGLVZDAHROMX-UHFFFAOYSA-N 0 0 432.480 4.041 50 0 IIAARN CCOC(=O)c1sc2nc(C)nc(Sc3nnc(-c4ccccc4)n3C)c2c1C ZINC000048299076 557061210 /nfs/dbraw/zinc/06/12/10/557061210.db2.gz YVSRATKRCCTSCI-UHFFFAOYSA-N 0 0 425.539 4.432 50 0 IIAARN O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cccc(OCCn2cccn2)c1 ZINC000048300567 557062385 /nfs/dbraw/zinc/06/23/85/557062385.db2.gz JVRQCRQDCRPBSZ-UHFFFAOYSA-N 0 0 434.544 4.059 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2)c1 ZINC000017358342 557062533 /nfs/dbraw/zinc/06/25/33/557062533.db2.gz HTTHJHMVCAOIFW-UHFFFAOYSA-N 0 0 449.576 4.067 50 0 IIAARN CN(c1ccccc1)c1nc(=O)n(CC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000033287433 557064733 /nfs/dbraw/zinc/06/47/33/557064733.db2.gz IAPQVIFVOLWVQC-UHFFFAOYSA-N 0 0 432.911 4.134 50 0 IIAARN Cc1ccccc1Sc1nccnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000033288949 557066471 /nfs/dbraw/zinc/06/64/71/557066471.db2.gz NPIWVRGKGMDEFU-UHFFFAOYSA-N 0 0 436.606 4.377 50 0 IIAARN COc1ccc2oc(-c3csc(NC(=O)c4ccccc4S(C)(=O)=O)n3)cc2c1 ZINC000010883621 557067980 /nfs/dbraw/zinc/06/79/80/557067980.db2.gz CDPOQSHJAQKUEK-UHFFFAOYSA-N 0 0 428.491 4.221 50 0 IIAARN COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033283647 557068630 /nfs/dbraw/zinc/06/86/30/557068630.db2.gz YMTRUUMGGSZOIP-UHFFFAOYSA-N 0 0 434.496 4.085 50 0 IIAARN CCc1cc(-c2csc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)on1 ZINC000033290278 557068635 /nfs/dbraw/zinc/06/86/35/557068635.db2.gz WIWILVODKGLNHM-UHFFFAOYSA-N 0 0 437.974 4.130 50 0 IIAARN O=c1c2cn[nH]c2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccccc1 ZINC000033292196 557070008 /nfs/dbraw/zinc/07/00/08/557070008.db2.gz OUFLEFVXSVYMBE-UHFFFAOYSA-N 0 0 436.884 4.105 50 0 IIAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(COc2ccccc2)cc1 ZINC000023160278 557070243 /nfs/dbraw/zinc/07/02/43/557070243.db2.gz APQDMKXQSIQLAR-RUZDIDTESA-N 0 0 434.511 4.208 50 0 IIAARN Cc1cccc(CN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C2CC2)c1 ZINC000048340608 557070556 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ZINC000113628820 557118416 /nfs/dbraw/zinc/11/84/16/557118416.db2.gz WFSSTLLGEAXYJM-OYRHEFFESA-N 0 0 436.533 4.272 50 0 IIAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000033334515 557118947 /nfs/dbraw/zinc/11/89/47/557118947.db2.gz GAXLASJONLSCSC-XIEYBQDHSA-N 0 0 443.547 4.012 50 0 IIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NCC1(N2CCOCC2)CCCCC1 ZINC000023820075 557119228 /nfs/dbraw/zinc/11/92/28/557119228.db2.gz LHWFPAWMPGANMX-UHFFFAOYSA-N 0 0 434.005 4.157 50 0 IIAARN O=c1[nH]c(CSc2nnc(COc3ccccc3)n2-c2ccccc2)nc2ccccc21 ZINC000008609343 557119575 /nfs/dbraw/zinc/11/95/75/557119575.db2.gz KOIQGFISWVBJSB-UHFFFAOYSA-N 0 0 441.516 4.375 50 0 aggregator IIAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004790278 557120565 /nfs/dbraw/zinc/12/05/65/557120565.db2.gz BQUNSXQWOKXMTD-UHFFFAOYSA-N 0 0 427.516 4.007 50 0 IIAARN CCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2c1cccc2OC ZINC000085824792 557120747 /nfs/dbraw/zinc/12/07/47/557120747.db2.gz 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O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCCCC1 ZINC000000663088 557131426 /nfs/dbraw/zinc/13/14/26/557131426.db2.gz VAJVQSXIJPMMKG-UHFFFAOYSA-N 0 0 439.606 4.431 50 0 IIAARN CCCC1(CCC)NC(=O)N(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1=O ZINC000024091445 557136376 /nfs/dbraw/zinc/13/63/76/557136376.db2.gz RATIHKJFUJPNPO-GMAHTHKFSA-N 0 0 438.568 4.353 50 0 IIAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCOCC2)cc1 ZINC000024102734 557137284 /nfs/dbraw/zinc/13/72/84/557137284.db2.gz TUUBGTDIDADIPM-UHFFFAOYSA-N 0 0 443.551 4.230 50 0 IIAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN2CCOCC2)cc1 ZINC000024102725 557137351 /nfs/dbraw/zinc/13/73/51/557137351.db2.gz ZESMZQSDYYCBAV-UHFFFAOYSA-N 0 0 433.943 4.485 50 0 IIAARN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(C)c3C)C1)CC2 ZINC000024113019 557137702 /nfs/dbraw/zinc/13/77/02/557137702.db2.gz SUGLCWCLPRZGHQ-OAQYLSRUSA-N 0 0 436.552 4.039 50 0 IIAARN CC1(C)SC(=S)N(c2ccccc2)[C@H]1n1oc(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000000704955 557138993 /nfs/dbraw/zinc/13/89/93/557138993.db2.gz RTRVKGXTEHSLSW-HNNXBMFYSA-N 0 0 433.942 4.061 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1)CCCC2 ZINC000011394903 557139313 /nfs/dbraw/zinc/13/93/13/557139313.db2.gz ILXIBBSFKKSZMB-UHFFFAOYSA-N 0 0 446.985 4.296 50 0 IIAARN O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000084341380 557144901 /nfs/dbraw/zinc/14/49/01/557144901.db2.gz GCULBUZGOOVPET-AWEZNQCLSA-N 0 0 432.229 4.159 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2I)cc1Cl ZINC000011439297 557147293 /nfs/dbraw/zinc/14/72/93/557147293.db2.gz KJHZCCNYDFNOAL-UHFFFAOYSA-N 0 0 429.641 4.049 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cc2C1=O ZINC000024458408 557147735 /nfs/dbraw/zinc/14/77/35/557147735.db2.gz IVKACSMNAGGXMK-CYBMUJFWSA-N 0 0 449.334 4.459 50 0 IIAARN CCCCOCCN(C(=O)CCNC(=O)C(C)(C)C)c1cccc(Br)c1 ZINC000072288719 557148383 /nfs/dbraw/zinc/14/83/83/557148383.db2.gz OQJCIEMEURQUAF-UHFFFAOYSA-N 0 0 427.383 4.151 50 0 IIAARN O=C(Nc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1)c1ccco1 ZINC000024575775 557151406 /nfs/dbraw/zinc/15/14/06/557151406.db2.gz GDIKUIRWKIJXCM-UHFFFAOYSA-N 0 0 441.369 4.384 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccn2nc(-c3ccco3)cc12 ZINC000206750728 557151506 /nfs/dbraw/zinc/15/15/06/557151506.db2.gz HUMIJHHREFMARN-UHFFFAOYSA-N 0 0 435.871 4.443 50 0 IIAARN CCN(Cc1cccc(NC(=O)NCc2ccc(OC)c(O)c2)c1)C(=O)OC(C)(C)C ZINC000072289580 557151852 /nfs/dbraw/zinc/15/18/52/557151852.db2.gz MIBPDMFWAHRHKU-UHFFFAOYSA-N 0 0 429.517 4.480 50 0 IIAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 ZINC000024607250 557153438 /nfs/dbraw/zinc/15/34/38/557153438.db2.gz KCVIXJYJMJILPC-UHFFFAOYSA-N 0 0 439.002 4.242 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000024613749 557155966 /nfs/dbraw/zinc/15/59/66/557155966.db2.gz ASUXIOLMCFYUQL-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21 ZINC000095100004 557156159 /nfs/dbraw/zinc/15/61/59/557156159.db2.gz AFTZZRFCMOAFCR-UHFFFAOYSA-N 0 0 430.556 4.482 50 0 in-vitro IIAARN CCCCn1nn/c(=N\C(=O)c2ccc(C)cc2Cl)n1C(=O)c1ccc(C)cc1Cl ZINC000095482097 557157601 /nfs/dbraw/zinc/15/76/01/557157601.db2.gz KBGWWLIWCHJJSA-DARPEHSRSA-N 0 0 446.338 4.233 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 ZINC000024750025 557162339 /nfs/dbraw/zinc/16/23/39/557162339.db2.gz KIJKSLIUMSWWOU-FQEVSTJZSA-N 0 0 427.526 4.204 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000024754874 557162939 /nfs/dbraw/zinc/16/29/39/557162939.db2.gz WCJOUBACUROYGJ-UHFFFAOYSA-N 0 0 444.944 4.328 50 0 IIAARN Cc1cccn2cc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 ZINC000206901894 557165605 /nfs/dbraw/zinc/16/56/05/557165605.db2.gz RSRVBWDCNSRHSK-QGZVFWFLSA-N 0 0 428.467 4.440 50 0 IIAARN O=C(CSc1nc2ccccc2s1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206838895 557165925 /nfs/dbraw/zinc/16/59/25/557165925.db2.gz VHCRDDMOHILGKY-HNNXBMFYSA-N 0 0 438.534 4.064 50 0 IIAARN O=C(CSc1nnnn1CCc1cccs1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000024790320 557168030 /nfs/dbraw/zinc/16/80/30/557168030.db2.gz GSDJCEHSEXETIX-OAQYLSRUSA-N 0 0 449.605 4.170 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)C(C)(C)OC(C)=O)CC2 ZINC000023305227 557169760 /nfs/dbraw/zinc/16/97/60/557169760.db2.gz OFDPPHUIILDQHI-OAQYLSRUSA-N 0 0 431.916 4.173 50 0 IIAARN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N(C)Cc1cccs1 ZINC000024829985 557170074 /nfs/dbraw/zinc/17/00/74/557170074.db2.gz KFWSVKVWVUSQBH-AWEZNQCLSA-N 0 0 427.492 4.063 50 0 IIAARN COc1cc(CN(C(=O)Cc2cnn(-c3ccccc3)c2)C2CC2)ccc1OC(F)F ZINC000024838508 557172645 /nfs/dbraw/zinc/17/26/45/557172645.db2.gz KPDPHELHAZWMHE-UHFFFAOYSA-N 0 0 427.451 4.216 50 0 IIAARN Cc1nc(CSc2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2)cs1 ZINC000024840279 557173158 /nfs/dbraw/zinc/17/31/58/557173158.db2.gz DTULBEMQLYJXMW-UHFFFAOYSA-N 0 0 427.599 4.334 50 0 IIAARN CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2csc(CC)n2)[C@@H]1c1ccc(OC)cc1 ZINC000069926807 557178094 /nfs/dbraw/zinc/17/80/94/557178094.db2.gz BDNYORBWTBLPRG-KNQAVFIVSA-N 0 0 429.586 4.062 50 0 IIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c12 ZINC000024925460 557179730 /nfs/dbraw/zinc/17/97/30/557179730.db2.gz IVRSEIQLVRKXFR-UHFFFAOYSA-N 0 0 446.338 4.172 50 0 IIAARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)c(C)o1 ZINC000024928941 557180902 /nfs/dbraw/zinc/18/09/02/557180902.db2.gz QSYDBPNWIVUKNE-UHFFFAOYSA-N 0 0 446.912 4.458 50 0 IIAARN Cc1cc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n2ncnc2n1 ZINC000024969621 557183720 /nfs/dbraw/zinc/18/37/20/557183720.db2.gz CEISVZJVVLNKDZ-UHFFFAOYSA-N 0 0 433.566 4.070 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)c3cccc(NS(C)(=O)=O)c3)s2)cc1Cl ZINC000024970076 557183734 /nfs/dbraw/zinc/18/37/34/557183734.db2.gz ZIHVEBYNXXTVGU-UHFFFAOYSA-N 0 0 435.958 4.320 50 0 IIAARN CCCc1nc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cs1 ZINC000024971682 557183891 /nfs/dbraw/zinc/18/38/91/557183891.db2.gz YJCSZBFCDZHIGX-UHFFFAOYSA-N 0 0 442.614 4.266 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000024973873 557184384 /nfs/dbraw/zinc/18/43/84/557184384.db2.gz HSFZQOGVNMVYCQ-QGZVFWFLSA-N 0 0 445.995 4.028 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccccc2O)CC1 ZINC000024979922 557185191 /nfs/dbraw/zinc/18/51/91/557185191.db2.gz GQLBPUTUYIDROX-ZDUSSCGKSA-N 0 0 427.854 4.214 50 0 IIAARN COc1ccc(-n2c(Sc3cc(C)nc4ncnn43)nnc2-c2ccc(Cl)cc2)cc1 ZINC000024989877 557187357 /nfs/dbraw/zinc/18/73/57/557187357.db2.gz VGLFAUJINJBNAC-UHFFFAOYSA-N 0 0 449.927 4.494 50 0 IIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 ZINC000025013357 557189410 /nfs/dbraw/zinc/18/94/10/557189410.db2.gz GBQLTWXRQXRNCY-UHFFFAOYSA-N 0 0 440.459 4.131 50 0 IIAARN Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000025043385 557190368 /nfs/dbraw/zinc/19/03/68/557190368.db2.gz NOEOSNFZXIAWEX-UHFFFAOYSA-N 0 0 431.489 4.111 50 0 IIAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000025049491 557191054 /nfs/dbraw/zinc/19/10/54/557191054.db2.gz VYXHNACPQPKFBM-KRWDZBQOSA-N 0 0 435.530 4.445 50 0 IIAARN COCCn1c2ccc(Br)cc2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100872526 557194171 /nfs/dbraw/zinc/19/41/71/557194171.db2.gz KMMIWJMVAOXMHB-VZCXRCSSSA-N 0 0 433.327 4.055 50 0 IIAARN Cc1ccc(-c2nc(CSCc3cccc(S(=O)(=O)N4CCOCC4)c3)co2)cc1 ZINC000025072259 557194291 /nfs/dbraw/zinc/19/42/91/557194291.db2.gz GVVSIFZBZUQWHA-UHFFFAOYSA-N 0 0 444.578 4.104 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1 ZINC000025159739 557197675 /nfs/dbraw/zinc/19/76/75/557197675.db2.gz MVFPURWRIHOLQB-XMMPIXPASA-N 0 0 437.503 4.166 50 0 IIAARN CCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)s1 ZINC000096318497 557199214 /nfs/dbraw/zinc/19/92/14/557199214.db2.gz HVANKMISHMFLKS-SSDOTTSWSA-N 0 0 435.141 4.032 50 0 IIAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc2cccc(F)c2c1C ZINC000025188324 557199380 /nfs/dbraw/zinc/19/93/80/557199380.db2.gz ZVHAOPIIUAZBHQ-UHFFFAOYSA-N 0 0 428.485 4.224 50 0 IIAARN CC(C)N(C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)C1CCCCC1 ZINC000072235798 557200454 /nfs/dbraw/zinc/20/04/54/557200454.db2.gz PASYPZIGKKDBOC-FQEVSTJZSA-N 0 0 449.665 4.109 50 0 IIAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000025286937 557202692 /nfs/dbraw/zinc/20/26/92/557202692.db2.gz ACOAKUOXTNKEJD-QHCPKHFHSA-N 0 0 444.560 4.162 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011584867 557204783 /nfs/dbraw/zinc/20/47/83/557204783.db2.gz RCIOUODVXCNFJR-QGZVFWFLSA-N 0 0 447.564 4.036 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000011584864 557204839 /nfs/dbraw/zinc/20/48/39/557204839.db2.gz RCIOUODVXCNFJR-KRWDZBQOSA-N 0 0 447.564 4.036 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000096901020 557206244 /nfs/dbraw/zinc/20/62/44/557206244.db2.gz ZNQXZTWGLYOZBG-HDICACEKSA-N 0 0 427.298 4.381 50 0 IIAARN COc1ccccc1OCCN1C[C@H](COc2cccc3[nH]c4ccccc4c32)OCC1=O ZINC000096939960 557206526 /nfs/dbraw/zinc/20/65/26/557206526.db2.gz OPUVSUMPCOUABG-GOSISDBHSA-N 0 0 446.503 4.015 50 0 IIAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000247737360 557210278 /nfs/dbraw/zinc/21/02/78/557210278.db2.gz LNDCCZHMOQPSRD-XLIONFOSSA-N 0 0 439.537 4.293 50 0 IIAARN CC(C)(C)c1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1 ZINC000169770459 557211769 /nfs/dbraw/zinc/21/17/69/557211769.db2.gz YGBADNSPKVXPMR-UHFFFAOYSA-N 0 0 436.531 4.076 50 0 IIAARN O=C(CNc1ccccc1Br)Nc1ccc(I)cc1 ZINC000011621128 557212707 /nfs/dbraw/zinc/21/27/07/557212707.db2.gz HXXDKUIFVLBZHR-UHFFFAOYSA-N 0 0 431.071 4.104 50 0 IIAARN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000797512 557212873 /nfs/dbraw/zinc/21/28/73/557212873.db2.gz CHWOJFBUMBRPDE-UHFFFAOYSA-N 0 0 431.949 4.303 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 ZINC000025576833 557215636 /nfs/dbraw/zinc/21/56/36/557215636.db2.gz HRNFMJJXJSTQDY-IBGZPJMESA-N 0 0 428.945 4.385 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000170591368 557216575 /nfs/dbraw/zinc/21/65/75/557216575.db2.gz CABXKYXOJAOEDY-SLFFLAALSA-N 0 0 439.393 4.152 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)CSc2ccccc2)cc1 ZINC000032949308 557222324 /nfs/dbraw/zinc/22/23/24/557222324.db2.gz FYBPRRLZRRHEKD-HXUWFJFHSA-N 0 0 435.545 4.486 50 0 IIAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@@H](C)c1nc4ccccc4n1C(F)F)(C3)C2 ZINC000010637975 557224017 /nfs/dbraw/zinc/22/40/17/557224017.db2.gz ZLMCXFLOFAXXFO-GDDCAUNMSA-N 0 0 444.526 4.126 50 0 IIAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl ZINC000011286496 557227762 /nfs/dbraw/zinc/22/77/62/557227762.db2.gz NLNAKXMDPAPJGR-UHFFFAOYSA-N 0 0 438.282 4.411 50 0 IIAARN COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000000809716 557228835 /nfs/dbraw/zinc/22/88/35/557228835.db2.gz LRFSBERDIOOPHB-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN CCOc1ccc(Oc2ccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000011505953 557229779 /nfs/dbraw/zinc/22/97/79/557229779.db2.gz KVZKQXDXQKHRRX-UHFFFAOYSA-N 0 0 440.521 4.096 50 0 IIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000011612882 557230331 /nfs/dbraw/zinc/23/03/31/557230331.db2.gz VCYPNVTWCBQUQP-HNNXBMFYSA-N 0 0 428.888 4.190 50 0 IIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCS2)cc1 ZINC000018046564 557233143 /nfs/dbraw/zinc/23/31/43/557233143.db2.gz DIDPLDGCSGRYDW-FQEVSTJZSA-N 0 0 432.586 4.108 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)ccc3OC)n2)cc1F ZINC000098211429 557234908 /nfs/dbraw/zinc/23/49/08/557234908.db2.gz HUKUESMTYJPTKV-UHFFFAOYSA-N 0 0 436.443 4.309 50 0 IIAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n[nH]2)cc1 ZINC000098212501 557235718 /nfs/dbraw/zinc/23/57/18/557235718.db2.gz LUTXINAVGIFBJC-UHFFFAOYSA-N 0 0 431.323 4.355 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c(OC)c1 ZINC000098212642 557235749 /nfs/dbraw/zinc/23/57/49/557235749.db2.gz PDPVUDMRIKZPKV-UHFFFAOYSA-N 0 0 440.931 4.146 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c(C)c1 ZINC000032950398 557236811 /nfs/dbraw/zinc/23/68/11/557236811.db2.gz CFTNPVDRTUESSE-UHFFFAOYSA-N 0 0 438.475 4.093 50 0 IIAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000018108546 557237241 /nfs/dbraw/zinc/23/72/41/557237241.db2.gz KRDSJHBRKYKNJI-UHFFFAOYSA-N 0 0 427.353 4.098 50 0 IIAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000018114635 557237568 /nfs/dbraw/zinc/23/75/68/557237568.db2.gz WCPNFMLXKXSMRU-UHFFFAOYSA-N 0 0 442.475 4.394 50 0 IIAARN COc1ccc(-c2noc(CCCC(=O)N3CCCC[C@H]3c3cccnc3)n2)cc1OC ZINC000390827252 557237945 /nfs/dbraw/zinc/23/79/45/557237945.db2.gz FWJGVORBJNGJFZ-IBGZPJMESA-N 0 0 436.512 4.225 50 0 biogenic IIAARN COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000026520895 557242919 /nfs/dbraw/zinc/24/29/19/557242919.db2.gz LGMYJERGVKXRNY-LJQANCHMSA-N 0 0 444.597 4.492 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32c3ccccc3NC2=O)cc1OC ZINC000000810595 557243224 /nfs/dbraw/zinc/24/32/24/557243224.db2.gz HHBKREWQDDYHRX-CPJSRVTESA-N 0 0 427.460 4.052 50 0 IIAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000100150527 557243808 /nfs/dbraw/zinc/24/38/08/557243808.db2.gz MYAKKSBTMLHVKS-HXUWFJFHSA-N 0 0 435.549 4.207 50 0 IIAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000026543114 557244072 /nfs/dbraw/zinc/24/40/72/557244072.db2.gz SXCGBBJYSFRLQW-UHFFFAOYSA-N 0 0 431.535 4.314 50 0 IIAARN COc1ccc(NC(=O)c2cccc(Nc3nn4c(nc5ccccc5c4=O)s3)c2)cc1 ZINC000032952171 557248252 /nfs/dbraw/zinc/24/82/52/557248252.db2.gz GNOFCSTXKALPGL-UHFFFAOYSA-N 0 0 443.488 4.309 50 0 IIAARN Cc1cccn2c(NC(=O)Cc3csc(N4CCCC4=O)n3)c(-c3ccccc3)nc12 ZINC000026791533 557249169 /nfs/dbraw/zinc/24/91/69/557249169.db2.gz NPYRBCGAMNHPIV-UHFFFAOYSA-N 0 0 431.521 4.074 50 0 IIAARN COc1ccc(-c2noc(CCCC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)n2)cc1 ZINC000070005682 557255981 /nfs/dbraw/zinc/25/59/81/557255981.db2.gz YZONNXNNXMADSD-FQEVSTJZSA-N 0 0 431.496 4.308 50 0 IIAARN O=C(CSc1ccccc1Cl)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000027125155 557257221 /nfs/dbraw/zinc/25/72/21/557257221.db2.gz HBGKHSYQYQRWRG-UHFFFAOYSA-N 0 0 430.913 4.289 50 0 IIAARN COc1ccccc1CC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014969307 557259254 /nfs/dbraw/zinc/25/92/54/557259254.db2.gz KTALUVYNCOBYGX-GOSISDBHSA-N 0 0 439.508 4.428 50 0 IIAARN Cc1ccc(-n2nc3c4cc(C(=O)NCCCc5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282019 557267101 /nfs/dbraw/zinc/26/71/01/557267101.db2.gz SYRVUXATKRNYHF-UHFFFAOYSA-N 0 0 436.515 4.490 50 0 IIAARN Cc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[nH]cc-3c2=O)cc1C ZINC000101282083 557267173 /nfs/dbraw/zinc/26/71/73/557267173.db2.gz CJDRLYDQKVXLRR-UHFFFAOYSA-N 0 0 436.515 4.408 50 0 IIAARN O=c1c2nc(N3CCOCC3)sc2c(-c2cccs2)nn1Cc1ccccc1Cl ZINC000011024061 557268134 /nfs/dbraw/zinc/26/81/34/557268134.db2.gz FLJPJZBWCJEINV-UHFFFAOYSA-N 0 0 444.969 4.120 50 0 IIAARN COc1ccc(CN(Cc2csc(-c3ccccc3)n2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027650415 557268615 /nfs/dbraw/zinc/26/86/15/557268615.db2.gz DFLMJGFCSNKCOC-FQEVSTJZSA-N 0 0 428.579 4.008 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)no2)cc1 ZINC000027662275 557268756 /nfs/dbraw/zinc/26/87/56/557268756.db2.gz QVAIREUVJXVVLZ-QGZVFWFLSA-N 0 0 439.537 4.465 50 0 IIAARN O=C(COc1ccccc1Cl)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000027663425 557269704 /nfs/dbraw/zinc/26/97/04/557269704.db2.gz MPPQSDCUGVYERM-UHFFFAOYSA-N 0 0 430.913 4.431 50 0 IIAARN COc1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3nc(C)nn32)cc1 ZINC000100716763 557271089 /nfs/dbraw/zinc/27/10/89/557271089.db2.gz MUCSTOAPCMWRSY-GOSISDBHSA-N 0 0 444.276 4.256 50 0 IIAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000027719366 557271893 /nfs/dbraw/zinc/27/18/93/557271893.db2.gz XBBQZONDGIFHQL-UHFFFAOYSA-N 0 0 434.993 4.207 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3NC3CCCCC3)cc2)cc1 ZINC000101601624 557291395 /nfs/dbraw/zinc/29/13/95/557291395.db2.gz AOYDKTYYXQGYAS-UHFFFAOYSA-N 0 0 447.535 4.290 50 0 IIAARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccs3)C2)cc(OC)c1OC ZINC000101755832 557297042 /nfs/dbraw/zinc/29/70/42/557297042.db2.gz UCYKTQSEKVZDGN-FKIZINRSSA-N 0 0 438.509 4.431 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000102531894 557303548 /nfs/dbraw/zinc/30/35/48/557303548.db2.gz XEENHAYLCUILCC-OALUTQOASA-N 0 0 440.293 4.166 50 0 IIAARN Cc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101860853 557303801 /nfs/dbraw/zinc/30/38/01/557303801.db2.gz NKDIBNNOLLWJBB-UHFFFAOYSA-N 0 0 443.551 4.487 50 0 IIAARN NS(=O)(=O)c1ccc(NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)nc1 ZINC000014123259 557306254 /nfs/dbraw/zinc/30/62/54/557306254.db2.gz DGOKEGKFRPUOOK-KRWDZBQOSA-N 0 0 426.929 4.108 50 0 IIAARN CCn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nnc1C1CC1 ZINC000014126054 557306480 /nfs/dbraw/zinc/30/64/80/557306480.db2.gz PJCDKNJUAOOCME-OAHLLOKOSA-N 0 0 427.599 4.283 50 0 IIAARN CCOC(=O)C1CCN(c2nc3ccc(C)cc3c3nnc(-c4cccc(OC)c4)n32)CC1 ZINC000101973028 557309538 /nfs/dbraw/zinc/30/95/38/557309538.db2.gz UFVISWWVHVGHMV-UHFFFAOYSA-N 0 0 445.523 4.041 50 0 IIAARN O=C(CSc1nnc2n1CCCCC2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014141907 557310482 /nfs/dbraw/zinc/31/04/82/557310482.db2.gz HDHZNBMXMVXKLU-OAHLLOKOSA-N 0 0 427.599 4.113 50 0 IIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)CC(=O)N5C)o3)cc2C1 ZINC000014164151 557312159 /nfs/dbraw/zinc/31/21/59/557312159.db2.gz SXMJZINBGPEBBO-GFCCVEGCSA-N 0 0 439.562 4.417 50 0 IIAARN CCCOc1ccc(N2C(=O)C[C@@H](N(CC34CC5CC(CC(C5)C3)C4)C(C)=O)C2=O)cc1 ZINC000100113902 557314674 /nfs/dbraw/zinc/31/46/74/557314674.db2.gz OWUHBBKVPOEBFW-MCADVSAISA-N 0 0 438.568 4.172 50 0 IIAARN Cc1ccc(C)c(OC[C@H](O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000014200963 557317376 /nfs/dbraw/zinc/31/73/76/557317376.db2.gz YZPATGJIUQYECU-MRXNPFEDSA-N 0 0 425.356 4.229 50 0 IIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000102288492 557317462 /nfs/dbraw/zinc/31/74/62/557317462.db2.gz YWYRWSCLJHONKO-RTBURBONSA-N 0 0 446.956 4.124 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)cc1OC ZINC000032931964 557318571 /nfs/dbraw/zinc/31/85/71/557318571.db2.gz AIWFCXAMWWDTSK-UHFFFAOYSA-N 0 0 430.508 4.027 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@H](c3cccs3)C(C)C)CC2)cc1 ZINC000032973998 557319967 /nfs/dbraw/zinc/31/99/67/557319967.db2.gz LYQOBVHRYHWNSW-QFIPXVFZSA-N 0 0 434.627 4.361 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952080 557320294 /nfs/dbraw/zinc/32/02/94/557320294.db2.gz LIBABQZDDCPYGB-UHFFFAOYSA-N 0 0 445.479 4.117 50 0 IIAARN CC(C)Sc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)cc1 ZINC000102390177 557320645 /nfs/dbraw/zinc/32/06/45/557320645.db2.gz IOFMUAABVJETIH-PMACEKPBSA-N 0 0 428.623 4.266 50 0 IIAARN Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033087575 557322245 /nfs/dbraw/zinc/32/22/45/557322245.db2.gz WKDAGZPHJQOYEJ-UHFFFAOYSA-N 0 0 441.578 4.059 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CC[NH+]([C@@H](C)CC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078684 557324278 /nfs/dbraw/zinc/32/42/78/557324278.db2.gz AUWYABZQMYZNNE-SFHVURJKSA-N 0 0 439.556 4.202 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H]1c1cccs1 ZINC000257173189 557337805 /nfs/dbraw/zinc/33/78/05/557337805.db2.gz GGNGIEQOWUHXIC-KLDKWKSESA-N 0 0 426.582 4.321 50 0 IIAARN Cc1c(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cnn1C(F)F ZINC000044153877 557339657 /nfs/dbraw/zinc/33/96/57/557339657.db2.gz KJWVBSQXFRVDCQ-KRWDZBQOSA-N 0 0 430.480 4.178 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1 ZINC000102529278 557340503 /nfs/dbraw/zinc/34/05/03/557340503.db2.gz KWEPIIYJPWLCML-UHFFFAOYSA-N 0 0 441.487 4.360 50 0 IIAARN CCc1nc(COC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cs1 ZINC000023362853 557350905 /nfs/dbraw/zinc/35/09/05/557350905.db2.gz GHRRIKAGKRKWBH-UHFFFAOYSA-N 0 0 426.494 4.089 50 0 IIAARN O=C(CSc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc21)NCc1ccco1 ZINC000011680279 557352497 /nfs/dbraw/zinc/35/24/97/557352497.db2.gz CJRJZSBLEYMQGG-UHFFFAOYSA-N 0 0 448.500 4.209 50 0 IIAARN CC1(C)OC[C@H](CNC(=O)c2cncn2-c2cccc(-c3ccccc3C(F)(F)F)c2)O1 ZINC000023431114 557355351 /nfs/dbraw/zinc/35/53/51/557355351.db2.gz WOUOJDVKYMQHHJ-KRWDZBQOSA-N 0 0 445.441 4.439 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023454092 557361804 /nfs/dbraw/zinc/36/18/04/557361804.db2.gz RYHBILXQEUJXHF-UHFFFAOYSA-N 0 0 426.495 4.327 50 0 IIAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCc4ccccc4F)c3)n2)o1 ZINC000023455870 557362330 /nfs/dbraw/zinc/36/23/30/557362330.db2.gz JOSRPAOZVAHLPK-UHFFFAOYSA-N 0 0 433.487 4.498 50 0 IIAARN CCOc1ccc(-c2cc3c(SCC(=O)NCCc4ccccc4)nccn3n2)cc1 ZINC000072328557 557365564 /nfs/dbraw/zinc/36/55/64/557365564.db2.gz GXDRQXKOHKGJOQ-UHFFFAOYSA-N 0 0 432.549 4.246 50 0 IIAARN C[C@H](Sc1ncnc2c1cnn2C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000011682008 557366147 /nfs/dbraw/zinc/36/61/47/557366147.db2.gz WJVXPGXXRUBDOT-VIFPVBQESA-N 0 0 426.552 4.243 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1Cl ZINC000102707152 557367342 /nfs/dbraw/zinc/36/73/42/557367342.db2.gz KIOTYXJJIYNXKL-BHIFYINESA-N 0 0 434.879 4.405 50 0 IIAARN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c1 ZINC000102735961 557373139 /nfs/dbraw/zinc/37/31/39/557373139.db2.gz YCFGGOFKEXXIIW-WXFUMESZSA-N 0 0 428.488 4.363 50 0 IIAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102711495 557373729 /nfs/dbraw/zinc/37/37/29/557373729.db2.gz UNADECRQZGYGGY-WXFUMESZSA-N 0 0 444.487 4.014 50 0 IIAARN CC(C)c1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3nnnn32)cc1 ZINC000102763933 557381325 /nfs/dbraw/zinc/38/13/25/557381325.db2.gz XCXNECIFDRKHFJ-SFHVURJKSA-N 0 0 443.292 4.457 50 0 IIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000023955206 557388803 /nfs/dbraw/zinc/38/88/03/557388803.db2.gz ARLWMZIDCLSKKP-UHFFFAOYSA-N 0 0 449.551 4.193 50 0 IIAARN COc1ccc(C(F)(F)F)cc1NC(=O)CCCn1nc(-c2ccccc2)ccc1=O ZINC000011693293 557390835 /nfs/dbraw/zinc/39/08/35/557390835.db2.gz RYHILCOQDRCKGM-UHFFFAOYSA-N 0 0 431.414 4.357 50 0 IIAARN CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccc3)CC2)c1=O ZINC000024022826 557391197 /nfs/dbraw/zinc/39/11/97/557391197.db2.gz VAGXGNSLZXAILL-XMMPIXPASA-N 0 0 437.971 4.447 50 0 IIAARN COc1ccc2cc(C=C3SC(=O)N=C3Nc3cc(OC)cc(OC)c3)c(=O)[nH]c2c1 ZINC000072401669 557394798 /nfs/dbraw/zinc/39/47/98/557394798.db2.gz SLLXDULVSRDDSV-GXHLCREISA-N 0 0 437.477 4.272 50 0 IIAARN c1sc2nc(CN3CCOCC3)nc(NCCc3ccccn3)c2c1-c1ccccc1 ZINC000033426833 557396764 /nfs/dbraw/zinc/39/67/64/557396764.db2.gz SGURRCGWOLGIQM-UHFFFAOYSA-N 0 0 431.565 4.240 50 0 IIAARN COc1cc2nc(SCc3ccncc3)n(CCc3ccccc3)c(=N)c2cc1OC ZINC000100330674 557400309 /nfs/dbraw/zinc/40/03/09/557400309.db2.gz OJSFWAJBKMSCGR-UHFFFAOYSA-N 0 0 432.549 4.463 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(F)c3)C2)cc1OC ZINC000408525728 557414098 /nfs/dbraw/zinc/41/40/98/557414098.db2.gz XTMJPJNYVWNCGR-NRFANRHFSA-N 0 0 440.496 4.383 50 0 IIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)cc1 ZINC000102990415 557415718 /nfs/dbraw/zinc/41/57/18/557415718.db2.gz OPHFQBWCFDSCTD-JJTGBXKASA-N 0 0 437.536 4.342 50 0 IIAARN O=C(Cn1c(CO)nc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000033591938 557415876 /nfs/dbraw/zinc/41/58/76/557415876.db2.gz JAVGSCUTXGSRTQ-FQEVSTJZSA-N 0 0 434.883 4.153 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@]32CSC(=O)N2)cc1 ZINC000103159149 557427706 /nfs/dbraw/zinc/42/77/06/557427706.db2.gz AAWQCFKMBKBSOX-APWZRJJASA-N 0 0 446.326 4.111 50 0 IIAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(OC)c1 ZINC000103603362 557439802 /nfs/dbraw/zinc/43/98/02/557439802.db2.gz BGSDUYZDQCDMJD-ZSDLXVEASA-N 0 0 436.552 4.342 50 0 IIAARN Cc1nc(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317363 557451540 /nfs/dbraw/zinc/45/15/40/557451540.db2.gz KEOMFJKAHJZFMK-UHFFFAOYSA-N 0 0 433.959 4.095 50 0 IIAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000096317159 557451652 /nfs/dbraw/zinc/45/16/52/557451652.db2.gz KGHVGLGRGZDUKC-UHFFFAOYSA-N 0 0 442.991 4.049 50 0 IIAARN COCCn1c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc2cc(Cl)ccc21 ZINC000085878056 557454125 /nfs/dbraw/zinc/45/41/25/557454125.db2.gz WLIAKIOTDWHMRI-UHFFFAOYSA-N 0 0 428.916 4.157 50 0 biogenic IIAARN C[C@H]1c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc3c2N(CCC3)C1=O ZINC000101078949 557454889 /nfs/dbraw/zinc/45/48/89/557454889.db2.gz OCWXLAKFRDCAQR-SFHVURJKSA-N 0 0 432.545 4.478 50 0 IIAARN CCC(=O)c1ccc(OC[C@H](O)CN2C(SCc3ccccc3)=N[C@@H]3C=CC=C[C@@H]32)cc1 ZINC000104742913 557460207 /nfs/dbraw/zinc/46/02/07/557460207.db2.gz KMCGQZHNHONOPW-JRFVFWCSSA-N 0 0 448.588 4.487 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(Br)ccc1F ZINC000014827505 557468611 /nfs/dbraw/zinc/46/86/11/557468611.db2.gz AVCOVGYBZMSDIW-UHFFFAOYSA-N 0 0 441.322 4.015 50 0 IIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccccc1 ZINC000105009096 557470369 /nfs/dbraw/zinc/47/03/69/557470369.db2.gz ZDDDWSLOGIBTNR-LOSJGSFVSA-N 0 0 447.579 4.399 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000105009193 557470796 /nfs/dbraw/zinc/47/07/96/557470796.db2.gz AKTBMGZWKCMJCQ-DNQXCXABSA-N 0 0 433.552 4.090 50 0 IIAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3ccccc3OC)C2=O)c(OC)c1 ZINC000101271618 557476146 /nfs/dbraw/zinc/47/61/46/557476146.db2.gz KLUQITMHEIWSAK-CYVLTUHYSA-N 0 0 430.460 4.352 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000105127984 557476173 /nfs/dbraw/zinc/47/61/73/557476173.db2.gz UPQJFCTUIOUPFC-YWZLYKJASA-N 0 0 448.585 4.356 50 0 IIAARN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CN2CCOCC2)cc1 ZINC000019939855 557510258 /nfs/dbraw/zinc/51/02/58/557510258.db2.gz JZMQVIHLDJAZFB-UHFFFAOYSA-N 0 0 439.408 4.489 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@H]1C ZINC000105878945 557512184 /nfs/dbraw/zinc/51/21/84/557512184.db2.gz DVBDWGXKEQSAIN-STSQHVNTSA-N 0 0 428.598 4.181 50 0 IIAARN CSc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914193 557513532 /nfs/dbraw/zinc/51/35/32/557513532.db2.gz WVQOCRUHGCPOEB-UHFFFAOYSA-N 0 0 434.525 4.160 50 0 IIAARN CSc1nn(CC(=O)Nc2cc(C)cc(C)c2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914353 557513765 /nfs/dbraw/zinc/51/37/65/557513765.db2.gz REYREYLAEVPXHE-UHFFFAOYSA-N 0 0 448.552 4.468 50 0 IIAARN CCN(C(=O)Cn1nc(SC)c(-c2nc(-c3ccccc3)no2)c1N)c1cccc(C)c1 ZINC000046915041 557514041 /nfs/dbraw/zinc/51/40/41/557514041.db2.gz PVOGUESIFRGSGF-UHFFFAOYSA-N 0 0 448.552 4.266 50 0 IIAARN Cc1ccc(-n2c(CN3CCN(C(=O)Nc4ccccc4C)CC3)nc3cccnc32)cc1 ZINC000047147636 557517760 /nfs/dbraw/zinc/51/77/60/557517760.db2.gz YWPGXQXAMMOMJQ-UHFFFAOYSA-N 0 0 440.551 4.387 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2OCCOc2ccccc2)[C@H]1C ZINC000108863307 557543795 /nfs/dbraw/zinc/54/37/95/557543795.db2.gz HZPABCHNEMHSIY-DXIQSLLYSA-N 0 0 425.525 4.242 50 0 IIAARN COCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000045939352 557548406 /nfs/dbraw/zinc/54/84/06/557548406.db2.gz FWRUQAVNWISCLA-UHFFFAOYSA-N 0 0 434.930 4.100 50 0 IIAARN COc1cccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[nH]3)c(C)o2)c1OC ZINC000045924703 557549924 /nfs/dbraw/zinc/54/99/24/557549924.db2.gz VSRNIPMRAKYFTA-UHFFFAOYSA-N 0 0 427.404 4.062 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000045961900 557556976 /nfs/dbraw/zinc/55/69/76/557556976.db2.gz QYQKWDLQXPYWQM-UHFFFAOYSA-N 0 0 428.510 4.347 50 0 IIAARN Cc1cc(C)c(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)c(C)c1 ZINC000045970045 557557590 /nfs/dbraw/zinc/55/75/90/557557590.db2.gz UOUSSNRWFUTBOX-UHFFFAOYSA-N 0 0 426.476 4.468 50 0 IIAARN CC(C)c1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 ZINC000045970755 557558055 /nfs/dbraw/zinc/55/80/55/557558055.db2.gz HOZIUILXOXJZMN-UHFFFAOYSA-N 0 0 425.558 4.078 50 0 IIAARN C[C@H]1CN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000039404179 557646858 /nfs/dbraw/zinc/64/68/58/557646858.db2.gz VUGVVZVEEYRGLD-KBPBESRZSA-N 0 0 434.464 4.066 50 0 IIAARN C[C@H](Sc1nnnn1Cc1cccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000040002670 557675264 /nfs/dbraw/zinc/67/52/64/557675264.db2.gz UYXRSFSWFWGVJB-QWRGUYRKSA-N 0 0 442.397 4.448 50 0 IIAARN COc1ccc(CCNC(=O)c2c(Cl)nc(N(C(C)C)C(C)C)nc2Cl)cc1 ZINC000225415416 557720377 /nfs/dbraw/zinc/72/03/77/557720377.db2.gz OSHOYQXWQKKQLA-UHFFFAOYSA-N 0 0 425.360 4.388 50 0 IIAARN COC(=O)C[C@@](C)(NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccn1 ZINC000225423401 557721771 /nfs/dbraw/zinc/72/17/71/557721771.db2.gz JABVBOCFFJWFKW-GOSISDBHSA-N 0 0 430.719 4.048 50 0 IIAARN CC(C)C[C@](C)(NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Br)c1 ZINC000225437902 557722791 /nfs/dbraw/zinc/72/27/91/557722791.db2.gz MILPLDPINRFPBL-NRFANRHFSA-N 0 0 442.361 4.175 50 0 IIAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000225495335 557730150 /nfs/dbraw/zinc/73/01/50/557730150.db2.gz XKVWNRXCQNZUER-XMMPIXPASA-N 0 0 447.966 4.156 50 0 IIAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000225500955 557730995 /nfs/dbraw/zinc/73/09/95/557730995.db2.gz RUHZAWFCDDIXPX-XMMPIXPASA-N 0 0 447.966 4.156 50 0 IIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cnc3ccccc3n2)cc1 ZINC000225511252 557732649 /nfs/dbraw/zinc/73/26/49/557732649.db2.gz PMRLIKQFOROEJO-DEOSSOPVSA-N 0 0 428.517 4.478 50 0 IIAARN CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H]1c1ccco1 ZINC000225514627 557733280 /nfs/dbraw/zinc/73/32/80/557733280.db2.gz RQCQHIVRRTUKLT-HXUWFJFHSA-N 0 0 443.912 4.431 50 0 IIAARN CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H]1c1ccco1 ZINC000225514586 557733319 /nfs/dbraw/zinc/73/33/19/557733319.db2.gz RQCQHIVRRTUKLT-FQEVSTJZSA-N 0 0 443.912 4.431 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC000225516444 557733731 /nfs/dbraw/zinc/73/37/31/557733731.db2.gz AKQXULNUHYQPEX-LJQANCHMSA-N 0 0 425.535 4.111 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1I ZINC000058406691 557812599 /nfs/dbraw/zinc/81/25/99/557812599.db2.gz BCCBNFOHMUJXLR-UHFFFAOYSA-N 0 0 442.684 4.207 50 0 IIAARN C[C@@H]1[NH2+]Cc2cc(-c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)ccc21 ZINC000000538648 557829309 /nfs/dbraw/zinc/82/93/09/557829309.db2.gz NJDRXTDGYFKORP-NSHDSACASA-N 0 0 426.419 4.467 50 0 IIAARN COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000000855091 557831184 /nfs/dbraw/zinc/83/11/84/557831184.db2.gz SADQQQZFPQRNDU-QFIPXVFZSA-N 0 0 445.562 4.302 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229898760 557833617 /nfs/dbraw/zinc/83/36/17/557833617.db2.gz CLDHLEJEAVKJKI-YTFSRNRJSA-N 0 0 432.451 4.276 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N(C)C4CCC(C)CC4)c(=O)c3s2)cc1 ZINC000018664474 557854561 /nfs/dbraw/zinc/85/45/61/557854561.db2.gz YOCGXZZCNUBGEU-UHFFFAOYSA-N 0 0 425.554 4.171 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)s3)c2)C1 ZINC000018890245 557862713 /nfs/dbraw/zinc/86/27/13/557862713.db2.gz GURAHZGRESPEEN-HUUCEWRRSA-N 0 0 441.018 4.340 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3n2)cc1OC ZINC000001216666 562920920 /nfs/dbraw/zinc/92/09/20/562920920.db2.gz AYOAFHISXLNZCI-UHFFFAOYSA-N 0 0 434.418 4.058 50 0 IIAARN CC(=O)Oc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(OC(C)=O)c3)c2)c1 ZINC000001234964 562920970 /nfs/dbraw/zinc/92/09/70/562920970.db2.gz VRUTXMQQNLYKSZ-UHFFFAOYSA-N 0 0 432.432 4.042 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001320992 562921231 /nfs/dbraw/zinc/92/12/31/562921231.db2.gz KPGRMZKUOKLJIU-UHFFFAOYSA-N 0 0 430.411 4.178 50 0 IIAARN CCOC(=O)[C@H](C)Sc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000001383068 562921482 /nfs/dbraw/zinc/92/14/82/562921482.db2.gz HFDGJKSILIBJCL-INIZCTEOSA-N 0 0 442.562 4.161 50 0 IIAARN O=C1c2cnc3nc(SCc4ccc(Cl)cc4)nn3c2C[C@@H]2c3ccccc3CCN12 ZINC000001396883 562921715 /nfs/dbraw/zinc/92/17/15/562921715.db2.gz ZPNDFSLALYRQDD-LJQANCHMSA-N 0 0 447.951 4.366 50 0 IIAARN Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000002185833 562926166 /nfs/dbraw/zinc/92/61/66/562926166.db2.gz BVKFPMLDRAKZKR-UHFFFAOYSA-N 0 0 427.580 4.448 50 0 IIAARN COc1ccccc1[C@]1(CCNS(=O)(=O)c2ccc(C)cc2)CCO[C@@H](C(C)C)C1 ZINC000002218052 562926396 /nfs/dbraw/zinc/92/63/96/562926396.db2.gz PUJGHBPPOHGHEG-DNQXCXABSA-N 0 0 431.598 4.445 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1)OCc1ccccc1 ZINC000002635612 562928897 /nfs/dbraw/zinc/92/88/97/562928897.db2.gz HCKXTZLGWCTTTI-DEOSSOPVSA-N 0 0 445.494 4.461 50 0 IIAARN COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000002640057 562929073 /nfs/dbraw/zinc/92/90/73/562929073.db2.gz RFYSJTJIMKVHHU-HAVVHWLPSA-N 0 0 430.504 4.484 50 0 IIAARN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCCC2=O)cc1 ZINC000002876722 562930359 /nfs/dbraw/zinc/93/03/59/562930359.db2.gz RQRZQPIEAFCALJ-AWEZNQCLSA-N 0 0 447.318 4.470 50 0 IIAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCCC3)ccc2F)cc1 ZINC000003022835 562931783 /nfs/dbraw/zinc/93/17/83/562931783.db2.gz KBENFSRRMFCMOO-UHFFFAOYSA-N 0 0 434.533 4.478 50 0 IIAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl ZINC000003221335 562933009 /nfs/dbraw/zinc/93/30/09/562933009.db2.gz PYKKUVWFBVHGLR-UHFFFAOYSA-N 0 0 434.235 4.029 50 0 IIAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000003245009 562933277 /nfs/dbraw/zinc/93/32/77/562933277.db2.gz QKDKMGFABDXHSN-UHFFFAOYSA-N 0 0 426.428 4.426 50 0 aggregator IIAARN Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1NC(=O)c1ccco1 ZINC000003259142 562933490 /nfs/dbraw/zinc/93/34/90/562933490.db2.gz LUWHPJJZUGSZCP-UHFFFAOYSA-N 0 0 448.262 4.338 50 0 IIAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C ZINC000003337035 562934380 /nfs/dbraw/zinc/93/43/80/562934380.db2.gz BXXMTUWCMLIQCF-UHFFFAOYSA-N 0 0 429.476 4.189 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c1C ZINC000003533599 562936406 /nfs/dbraw/zinc/93/64/06/562936406.db2.gz LWFFQYRNEDSXBD-UHFFFAOYSA-N 0 0 425.510 4.137 50 0 IIAARN CCOc1cccc(-c2cc(C(=O)N3N=C(C)C[C@@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000004199781 562942612 /nfs/dbraw/zinc/94/26/12/562942612.db2.gz WDFYURJKPREQQR-HSZRJFAPSA-N 0 0 425.435 4.476 50 0 IIAARN Cc1ccccc1Nc1nn2c(nc3cc(C(=O)NCc4ccccc4)ccc3c2=O)s1 ZINC000008583893 562949937 /nfs/dbraw/zinc/94/99/37/562949937.db2.gz OCRTYPSBVPCDEI-UHFFFAOYSA-N 0 0 441.516 4.286 50 0 IIAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 ZINC000008586871 562950167 /nfs/dbraw/zinc/95/01/67/562950167.db2.gz GUUQTCDPVFPBCA-UHFFFAOYSA-N 0 0 425.554 4.229 50 0 IIAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000008589213 562951079 /nfs/dbraw/zinc/95/10/79/562951079.db2.gz VMYNQCZIFBORKX-UHFFFAOYSA-N 0 0 430.435 4.154 50 0 IIAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 ZINC000008591184 562952030 /nfs/dbraw/zinc/95/20/30/562952030.db2.gz DONMALRJZOPYQT-IBGZPJMESA-N 0 0 449.555 4.438 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2oc1C(=O)NCc1ccc(C)cc1 ZINC000008591690 562952086 /nfs/dbraw/zinc/95/20/86/562952086.db2.gz KNLIYTXVMJVDDC-KRWDZBQOSA-N 0 0 440.565 4.400 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000008592588 562952365 /nfs/dbraw/zinc/95/23/65/562952365.db2.gz LBDTUSQXEPHUPX-CQSZACIVSA-N 0 0 442.393 4.439 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000008597536 562953971 /nfs/dbraw/zinc/95/39/71/562953971.db2.gz LISDICLGORNIPN-LJAQVGFWSA-N 0 0 430.957 4.219 50 0 IIAARN CCOC(=O)c1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)c1 ZINC000008599383 562954730 /nfs/dbraw/zinc/95/47/30/562954730.db2.gz ZXCYVSOVPQVDND-UHFFFAOYSA-N 0 0 439.537 4.330 50 0 IIAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008601620 562955478 /nfs/dbraw/zinc/95/54/78/562955478.db2.gz ZKNQGHWGERWGLJ-SFHVURJKSA-N 0 0 439.443 4.343 50 0 IIAARN Cc1cccc(-c2nc3cc(=O)[nH]n3c(SCc3ccc(Br)cc3)n2)c1 ZINC000008603051 562955960 /nfs/dbraw/zinc/95/59/60/562955960.db2.gz NYQYSAWGLYPKGW-UHFFFAOYSA-N 0 0 427.327 4.448 50 0 IIAARN COc1ccc(NC(=O)Nc2sc3nc4n(c(=O)c3c2C)CC[C@@H](C)CC4)cc1OC ZINC000008605161 562956641 /nfs/dbraw/zinc/95/66/41/562956641.db2.gz KFSQKUSQSCIRGB-LBPRGKRZSA-N 0 0 442.541 4.400 50 0 IIAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)Nc1ccccc1 ZINC000008609248 562957701 /nfs/dbraw/zinc/95/77/01/562957701.db2.gz YPMQVKXDBOHLHW-NRFANRHFSA-N 0 0 440.528 4.260 50 0 IIAARN COc1ccc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)c(OC)c1 ZINC000008613929 562959496 /nfs/dbraw/zinc/95/94/96/562959496.db2.gz MEUDUEXEOPXQKS-UHFFFAOYSA-N 0 0 441.487 4.384 50 0 IIAARN C[C@H](c1ccccc1)n1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C ZINC000008614027 562959506 /nfs/dbraw/zinc/95/95/06/562959506.db2.gz UWDONWBRNOYDIO-CQSZACIVSA-N 0 0 438.325 4.078 50 0 IIAARN COc1cc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC ZINC000008617316 562959729 /nfs/dbraw/zinc/95/97/29/562959729.db2.gz ZLQUFTZXXTWCQG-UHFFFAOYSA-N 0 0 448.523 4.452 50 0 biogenic IIAARN COc1ccc(-n2c(C[C@H]3c4cc(C)ccc4N(C)C3=O)nc3ccccc3c2=O)cc1 ZINC000008654545 562960237 /nfs/dbraw/zinc/96/02/37/562960237.db2.gz JWDCTVNGKBZVNC-NRFANRHFSA-N 0 0 425.488 4.005 50 0 IIAARN CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1ccc(C)cc1 ZINC000008672130 562960995 /nfs/dbraw/zinc/96/09/95/562960995.db2.gz DRJJZYPOXMEBAH-UHFFFAOYSA-N 0 0 433.537 4.024 50 0 IIAARN CCOC(=O)c1cc2c(C)n(-c3ccc(OCC)cc3)c(C)c2cc(C(=O)OCC)c1=O ZINC000008685190 562962379 /nfs/dbraw/zinc/96/23/79/562962379.db2.gz MTOLYDMVKUZBLK-UHFFFAOYSA-N 0 0 437.492 4.360 50 0 IIAARN COc1ccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000008687158 562962960 /nfs/dbraw/zinc/96/29/60/562962960.db2.gz SJOUHRXRKLGZGF-XMMPIXPASA-N 0 0 425.488 4.342 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000009056157 562966786 /nfs/dbraw/zinc/96/67/86/562966786.db2.gz SHPCXULLDRHUFH-UHFFFAOYSA-N 0 0 429.567 4.486 50 0 IIAARN COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009347760 562969362 /nfs/dbraw/zinc/96/93/62/562969362.db2.gz UYROCITYNJRUDJ-UHFFFAOYSA-N 0 0 434.517 4.241 50 0 IIAARN Cc1cc(O[C@@H](C)C(=O)NCc2cccnc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000009429869 562970647 /nfs/dbraw/zinc/97/06/47/562970647.db2.gz IAGYYVBIJRMVHG-IBGZPJMESA-N 0 0 442.515 4.479 50 0 IIAARN CCN(C(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(OC)cc1 ZINC000009431676 562970718 /nfs/dbraw/zinc/97/07/18/562970718.db2.gz XGRJUASBPUPKQV-GOSISDBHSA-N 0 0 436.512 4.023 50 0 IIAARN COc1cccc(CNC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000009637325 562974642 /nfs/dbraw/zinc/97/46/42/562974642.db2.gz COOYMHBLQUZDNF-UHFFFAOYSA-N 0 0 438.094 4.177 50 0 IIAARN Cc1ccccc1C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 ZINC000009673741 562975254 /nfs/dbraw/zinc/97/52/54/562975254.db2.gz LQYJZJWRFHNLMA-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 ZINC000009804746 562977014 /nfs/dbraw/zinc/97/70/14/562977014.db2.gz GTTXOKRFAXQYEU-VWLOTQADSA-N 0 0 441.531 4.364 50 0 biogenic IIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ncccn3n2)c(F)c1 ZINC000012202187 562980957 /nfs/dbraw/zinc/98/09/57/562980957.db2.gz ZHAHLWWSJCREDB-XMMPIXPASA-N 0 0 441.466 4.146 50 0 IIAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000013004774 562983952 /nfs/dbraw/zinc/98/39/52/562983952.db2.gz DVTZHMYUKKKPQW-UHFFFAOYSA-N 0 0 436.556 4.116 50 0 IIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000013020596 562984160 /nfs/dbraw/zinc/98/41/60/562984160.db2.gz UVRPAUAWUIIIKH-UHFFFAOYSA-N 0 0 446.532 4.320 50 0 IIAARN COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013148834 562985341 /nfs/dbraw/zinc/98/53/41/562985341.db2.gz ZCTLEELRONGXPG-UHFFFAOYSA-N 0 0 446.569 4.058 50 0 IIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nnc(-c3ccccc3)[nH]2)n1 ZINC000015962406 563020542 /nfs/dbraw/zinc/02/05/42/563020542.db2.gz XURYBRJRUKYXKT-SANMLTNESA-N 0 0 448.530 4.373 50 0 IIAARN COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000055414581 563142547 /nfs/dbraw/zinc/14/25/47/563142547.db2.gz BJGSHJCBKOQDNT-UHFFFAOYSA-N 0 0 427.854 4.128 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)CCc2cc(OC)ccc2OC)c2ccccc21 ZINC000106171414 568624944 /nfs/dbraw/zinc/62/49/44/568624944.db2.gz WOLFUUOWLIEODB-NJNPRVFISA-N 0 0 438.568 4.460 50 0 IIAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc2ccccc21 ZINC000018992374 568631103 /nfs/dbraw/zinc/63/11/03/568631103.db2.gz NWKAUMDMECDBTO-FQEVSTJZSA-N 0 0 428.469 4.364 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)c1C2 ZINC000248272756 568634462 /nfs/dbraw/zinc/63/44/62/568634462.db2.gz QUSUARBEDWVNPN-LJQANCHMSA-N 0 0 445.523 4.392 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nccn1-c1ccc(Cl)cc1 ZINC000019052997 568634817 /nfs/dbraw/zinc/63/48/17/568634817.db2.gz ASYAXFUPZNBRPD-UHFFFAOYSA-N 0 0 429.929 4.395 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 ZINC000000906786 568636373 /nfs/dbraw/zinc/63/63/73/568636373.db2.gz VCOAEIKPNPOCFT-UHFFFAOYSA-N 0 0 431.949 4.210 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1 ZINC000086057824 568642324 /nfs/dbraw/zinc/64/23/24/568642324.db2.gz WDQDLOWWBIQEFM-KRWDZBQOSA-N 0 0 425.485 4.074 50 0 IIAARN CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1 ZINC000086057620 568642758 /nfs/dbraw/zinc/64/27/58/568642758.db2.gz GEJDWPJYFHQXMO-QGZVFWFLSA-N 0 0 439.512 4.464 50 0 IIAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4)nn32)cc1 ZINC000000950580 568645350 /nfs/dbraw/zinc/64/53/50/568645350.db2.gz YYQUOECUISRZOQ-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000000956697 568646009 /nfs/dbraw/zinc/64/60/09/568646009.db2.gz CFKZHWDTKJVCDD-JOCHJYFZSA-N 0 0 430.533 4.092 50 0 IIAARN CCOC(=O)[C@H](CC)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958409 568646289 /nfs/dbraw/zinc/64/62/89/568646289.db2.gz LOENOFHJVMUNBK-INIZCTEOSA-N 0 0 427.526 4.150 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960013 568646474 /nfs/dbraw/zinc/64/64/74/568646474.db2.gz QQTYIWBXUJVOHK-UHFFFAOYSA-N 0 0 431.879 4.370 50 0 IIAARN CN(C(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000000960066 568646721 /nfs/dbraw/zinc/64/67/21/568646721.db2.gz JLDNQBCOFVLBQG-UHFFFAOYSA-N 0 0 445.906 4.395 50 0 IIAARN O=C(Nc1ccccc1O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960069 568646766 /nfs/dbraw/zinc/64/67/66/568646766.db2.gz XLTVHNDOYPCRAM-UHFFFAOYSA-N 0 0 447.878 4.076 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(-c4ccccc4)cc3)sc2c1 ZINC000000953121 568646975 /nfs/dbraw/zinc/64/69/75/568646975.db2.gz VEMRQNVODNRZFP-UHFFFAOYSA-N 0 0 438.530 4.384 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2cccc(Cl)c2C)cc1 ZINC000000979325 568648611 /nfs/dbraw/zinc/64/86/11/568648611.db2.gz MYMOHRIQLBJUCT-UHFFFAOYSA-N 0 0 432.929 4.062 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000000999352 568649573 /nfs/dbraw/zinc/64/95/73/568649573.db2.gz FRDSEUGOYWGDDE-UHFFFAOYSA-N 0 0 442.445 4.004 50 0 IIAARN CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001106909 568659392 /nfs/dbraw/zinc/65/93/92/568659392.db2.gz ZJGONQQTHVOYJP-UHFFFAOYSA-N 0 0 442.968 4.190 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)c(Br)cc1OC(C)=O ZINC000001125488 568661163 /nfs/dbraw/zinc/66/11/63/568661163.db2.gz AFFSCFLXFNDQGX-SXGWCWSVSA-N 0 0 430.254 4.118 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1C ZINC000025549484 568676692 /nfs/dbraw/zinc/67/66/92/568676692.db2.gz ZEYJBMCZKGGINH-UHFFFAOYSA-N 0 0 444.329 4.251 50 0 IIAARN CCC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1 ZINC000015181326 568732058 /nfs/dbraw/zinc/73/20/58/568732058.db2.gz VVNGSOUCWLZYOQ-UHFFFAOYSA-N 0 0 425.403 4.341 50 0 IIAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H](C)C1)CCC2 ZINC000002072930 568742581 /nfs/dbraw/zinc/74/25/81/568742581.db2.gz LVCBMWWFAVHDRR-OAHLLOKOSA-N 0 0 427.570 4.168 50 0 IIAARN CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002112324 568742739 /nfs/dbraw/zinc/74/27/39/568742739.db2.gz ZUZBFNNMSSNIBD-RAWGQGSESA-N 0 0 427.541 4.057 50 0 biogenic IIAARN COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC ZINC000003286850 568745014 /nfs/dbraw/zinc/74/50/14/568745014.db2.gz VYSRYIHKJVAZKG-UHFFFAOYSA-N 0 0 447.793 4.180 50 0 IIAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000044001549 568745515 /nfs/dbraw/zinc/74/55/15/568745515.db2.gz YKUWWSGEYUGHDY-UHFFFAOYSA-N 0 0 438.380 4.393 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc(OCC)c1OCC ZINC000003338959 568746541 /nfs/dbraw/zinc/74/65/41/568746541.db2.gz IRIQWNBGCZYUKL-UHFFFAOYSA-N 0 0 439.867 4.471 50 0 IIAARN CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2c(cccc2C)s1 ZINC000003347532 568746803 /nfs/dbraw/zinc/74/68/03/568746803.db2.gz FOXUZCZHSHVTIS-UHFFFAOYSA-N 0 0 429.567 4.056 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC1CCCCC1 ZINC000003450007 568749560 /nfs/dbraw/zinc/74/95/60/568749560.db2.gz BSUFELCIDSMLNC-UHFFFAOYSA-N 0 0 425.529 4.125 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003492095 568750136 /nfs/dbraw/zinc/75/01/36/568750136.db2.gz LCUGSKZWZOEJDJ-UHFFFAOYSA-N 0 0 435.475 4.309 50 0 IIAARN CCOCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nc2ccccc2c1=O ZINC000003500305 568750163 /nfs/dbraw/zinc/75/01/63/568750163.db2.gz TVWIWFNMMKMXMB-KRWDZBQOSA-N 0 0 425.554 4.251 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000003501974 568750324 /nfs/dbraw/zinc/75/03/24/568750324.db2.gz KRRLOGGOOANOCA-UHFFFAOYSA-N 0 0 449.507 4.323 50 0 IIAARN COc1ccccc1-c1nc2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2n1 ZINC000003637312 568752197 /nfs/dbraw/zinc/75/21/97/568752197.db2.gz SAHZOPCVUUKDPS-QNGOZBTKSA-N 0 0 427.485 4.167 50 0 IIAARN O=C(/C=C/c1ccccc1)NC(NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCO2 ZINC000003665985 568753889 /nfs/dbraw/zinc/75/38/89/568753889.db2.gz IIYNYKDEONHFKK-JOBJLJCHSA-N 0 0 426.472 4.073 50 0 biogenic IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(C)Cc1ccsc1)CC2 ZINC000015297373 568755135 /nfs/dbraw/zinc/75/51/35/568755135.db2.gz CCSWGKSSVYQXCO-RUZDIDTESA-N 0 0 436.577 4.371 50 0 IIAARN CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O ZINC000263586207 568759267 /nfs/dbraw/zinc/75/92/67/568759267.db2.gz RHBWKKLMNBJGCK-JOCHJYFZSA-N 0 0 446.503 4.423 50 0 biogenic IIAARN COc1ccc2cc([C@@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)c(=O)[nH]c2c1 ZINC000263586585 568759319 /nfs/dbraw/zinc/75/93/19/568759319.db2.gz VYVATQGTQVDBDU-KRWDZBQOSA-N 0 0 443.455 4.294 50 0 biogenic IIAARN CCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1C ZINC000004036037 568759732 /nfs/dbraw/zinc/75/97/32/568759732.db2.gz WVSDYAHQUFTPSI-QFIPXVFZSA-N 0 0 427.570 4.480 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2cccnc2)N2CCOCC2)cc1 ZINC000001236175 568768134 /nfs/dbraw/zinc/76/81/34/568768134.db2.gz NFCOHJYSBJQJOW-JOCHJYFZSA-N 0 0 437.565 4.442 50 0 IIAARN CNC(=S)NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001241834 568774499 /nfs/dbraw/zinc/77/44/99/568774499.db2.gz DXKSNLYVVXNBLR-UHFFFAOYSA-N 0 0 445.592 4.078 50 0 IIAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000001248649 568774895 /nfs/dbraw/zinc/77/48/95/568774895.db2.gz JOCMINQVEORBDL-IBGZPJMESA-N 0 0 429.929 4.316 50 0 IIAARN Cc1oc(-c2ccccc2Cl)nc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263616253 568776552 /nfs/dbraw/zinc/77/65/52/568776552.db2.gz HTRPKZOVORKNPD-UHFFFAOYSA-N 0 0 446.894 4.320 50 0 IIAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC)c(F)c5)no4)cc3CO2)cc1 ZINC000263616736 568777001 /nfs/dbraw/zinc/77/70/01/568777001.db2.gz KGZYTFPCZMNASG-OAQYLSRUSA-N 0 0 436.443 4.418 50 0 IIAARN COc1ccc(CCNC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1OC ZINC000001329512 568780203 /nfs/dbraw/zinc/78/02/03/568780203.db2.gz QPMSVKCYOZEBML-UHFFFAOYSA-N 0 0 448.548 4.093 50 0 IIAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)NC1(CC(=O)OCC)CCCCC1 ZINC000045896317 568782835 /nfs/dbraw/zinc/78/28/35/568782835.db2.gz DZSMOBMYRFMVCI-UHFFFAOYSA-N 0 0 429.517 4.393 50 0 IIAARN CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000083852367 568783255 /nfs/dbraw/zinc/78/32/55/568783255.db2.gz JGEXOOGMMBHJAB-GFCCVEGCSA-N 0 0 436.737 4.160 50 0 IIAARN CC(C)NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383918 568784288 /nfs/dbraw/zinc/78/42/88/568784288.db2.gz ITCMLVHUAKSTCM-OVKIHRCZSA-N 0 0 436.511 4.221 50 0 IIAARN Cn1c(CNS(=O)(=O)c2ccc(F)cc2)nnc1SCc1ccc(C(C)(C)C)cc1 ZINC000001388304 568784803 /nfs/dbraw/zinc/78/48/03/568784803.db2.gz YZWVPFCJBOSMEO-UHFFFAOYSA-N 0 0 448.589 4.023 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nn1c(-c2ccccn2)nnc1-c1ccccn1 ZINC000001393455 568785392 /nfs/dbraw/zinc/78/53/92/568785392.db2.gz OUKLBVYFOKZDJM-UHFFFAOYSA-N 0 0 441.373 4.076 50 0 IIAARN CC(C)Oc1cc(C(=O)Nc2cccc(CS(=O)(=O)N3CCCC3)c2)cc2occc21 ZINC000223220253 568785545 /nfs/dbraw/zinc/78/55/45/568785545.db2.gz OQJHJDDFBWITHC-UHFFFAOYSA-N 0 0 442.537 4.398 50 0 IIAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000223231031 568786253 /nfs/dbraw/zinc/78/62/53/568786253.db2.gz FLBKXZBVDMUFMJ-UHFFFAOYSA-N 0 0 447.944 4.323 50 0 IIAARN COc1ccc(NC(=O)CN(Cc2ccccc2F)C(=O)Cc2ccccc2)c(OC)c1 ZINC000001410677 568788448 /nfs/dbraw/zinc/78/84/48/568788448.db2.gz WNHPCCSEMVUNDA-UHFFFAOYSA-N 0 0 436.483 4.053 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000084027009 568789902 /nfs/dbraw/zinc/78/99/02/568789902.db2.gz JWSFBOXCXGYLDD-UHFFFAOYSA-N 0 0 440.249 4.271 50 0 IIAARN Cc1nc2cc(F)cc(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)c2nc1C ZINC000084057255 568790437 /nfs/dbraw/zinc/79/04/37/568790437.db2.gz LCKDTVNDKSSLFY-UHFFFAOYSA-N 0 0 427.501 4.354 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2)n1 ZINC000084105129 568792789 /nfs/dbraw/zinc/79/27/89/568792789.db2.gz LYERXEUPLBDVDY-UHFFFAOYSA-N 0 0 449.555 4.181 50 0 IIAARN CCN(c1ccccc1)c1nc(N(CC)c2ccccc2)nc(-n2nnc(C(C)=O)c2C)n1 ZINC000001422515 568793354 /nfs/dbraw/zinc/79/33/54/568793354.db2.gz NDNOKBOOCMURBV-UHFFFAOYSA-N 0 0 442.527 4.279 50 0 IIAARN COc1cccc(-c2nc(C(=O)N=c3[nH]c4cc(Cl)ccc4n3C)cs2)c1OC ZINC000084311180 568797013 /nfs/dbraw/zinc/79/70/13/568797013.db2.gz QZQIBVOEPLWYRJ-UHFFFAOYSA-N 0 0 428.901 4.042 50 0 IIAARN NS(=O)(=O)c1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 ZINC000084419682 568797916 /nfs/dbraw/zinc/79/79/16/568797916.db2.gz ORFOWDNKXNCEKA-UHFFFAOYSA-N 0 0 439.349 4.003 50 0 IIAARN O=C(COc1cccc(NC(=O)c2ccco2)c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000084535629 568798640 /nfs/dbraw/zinc/79/86/40/568798640.db2.gz IBKBJXICWIIWCN-UHFFFAOYSA-N 0 0 448.519 4.245 50 0 IIAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[C@H](OCc2ccccn2)C1 ZINC000084572936 568798860 /nfs/dbraw/zinc/79/88/60/568798860.db2.gz SVHAHLADEXMKTH-FQEVSTJZSA-N 0 0 430.533 4.427 50 0 IIAARN O=S(=O)(c1cc(Br)cnc1Cl)N1CCCCC[C@@H]1c1ccncc1 ZINC000084615102 568799108 /nfs/dbraw/zinc/79/91/08/568799108.db2.gz UXDDZYIQPZDGFW-CQSZACIVSA-N 0 0 430.755 4.199 50 0 IIAARN C[C@H](OC(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000084647221 568799616 /nfs/dbraw/zinc/79/96/16/568799616.db2.gz XNBZAFWVWIOUHJ-JTQLQIEISA-N 0 0 446.692 4.478 50 0 IIAARN COc1ccc2c(CN3CCN([C@@H](C)c4nc5ccccc5s4)CC3)cc(=O)oc2c1 ZINC000084667957 568799774 /nfs/dbraw/zinc/79/97/74/568799774.db2.gz GSNXRIWPUOPPFQ-INIZCTEOSA-N 0 0 435.549 4.290 50 0 IIAARN Cc1cc(I)cc(C)c1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000001436723 568800250 /nfs/dbraw/zinc/80/02/50/568800250.db2.gz REKWGLJUKCVFCO-AWEZNQCLSA-N 0 0 444.313 4.246 50 0 IIAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000015669762 568801976 /nfs/dbraw/zinc/80/19/76/568801976.db2.gz ZDUUJOWEFNPCRM-UHFFFAOYSA-N 0 0 427.960 4.052 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)cc3C)n2)cc1 ZINC000015670175 568802149 /nfs/dbraw/zinc/80/21/49/568802149.db2.gz ZJPGWKUGDHCDGL-FQEVSTJZSA-N 0 0 440.507 4.132 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1cccc(C)c1)CC(=O)N2 ZINC000015670388 568802400 /nfs/dbraw/zinc/80/24/00/568802400.db2.gz WKHMCOBGGZXRSM-SFHVURJKSA-N 0 0 430.899 4.469 50 0 IIAARN COCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672841 568803369 /nfs/dbraw/zinc/80/33/69/568803369.db2.gz DWEJOEMYMADPFW-HSZRJFAPSA-N 0 0 431.602 4.183 50 0 IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(C[C@H]2CCCO2)C3=O)o1 ZINC000015675749 568803898 /nfs/dbraw/zinc/80/38/98/568803898.db2.gz ZACJJTLLGUNCBN-CLOONOSVSA-N 0 0 441.572 4.165 50 0 IIAARN COc1ccc(-c2noc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1OC ZINC000015681006 568806190 /nfs/dbraw/zinc/80/61/90/568806190.db2.gz WZTXQCLUEAYSIW-UHFFFAOYSA-N 0 0 434.418 4.099 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC ZINC000015681432 568806669 /nfs/dbraw/zinc/80/66/69/568806669.db2.gz MTNSBRHNSZGPDN-UHFFFAOYSA-N 0 0 444.535 4.270 50 0 IIAARN CC1CCC(NC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)CC1 ZINC000015722376 568812118 /nfs/dbraw/zinc/81/21/18/568812118.db2.gz UZABKFPCXDBISQ-UHFFFAOYSA-N 0 0 445.629 4.291 50 0 IIAARN CSc1ccc(CNC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)cc1 ZINC000015734478 568816508 /nfs/dbraw/zinc/81/65/08/568816508.db2.gz WLAHZHGNIOZUOS-UHFFFAOYSA-N 0 0 429.545 4.405 50 0 IIAARN COCCn1c(Cc2ccccc2)nnc1SCc1ccccc1C(=O)N1CCCC1 ZINC000085409316 568817829 /nfs/dbraw/zinc/81/78/29/568817829.db2.gz ZHNJMGHGRSSXSD-UHFFFAOYSA-N 0 0 436.581 4.044 50 0 IIAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O)N1CCOCC1 ZINC000001455569 568819255 /nfs/dbraw/zinc/81/92/55/568819255.db2.gz LXFCKZYELHOIIQ-UHFFFAOYSA-N 0 0 430.254 4.054 50 0 IIAARN CC(C)(C)NC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)CC1CC1 ZINC000085422845 568819642 /nfs/dbraw/zinc/81/96/42/568819642.db2.gz HZAHJTYQFHKKCY-UHFFFAOYSA-N 0 0 434.533 4.314 50 0 IIAARN CNC(=O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(OC)cc1 ZINC000001464450 568820027 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ZINC000064776029 568955069 /nfs/dbraw/zinc/95/50/69/568955069.db2.gz ROQWZIMKMHXOIJ-IGOGCQELSA-N 0 0 432.568 4.170 50 0 IIAARN C[C@H](NC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)C12CC3CC(CC(C3)C1)C2 ZINC000064776026 568955083 /nfs/dbraw/zinc/95/50/83/568955083.db2.gz ROQWZIMKMHXOIJ-KRVBTEMGSA-N 0 0 432.568 4.170 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000036118400 568955944 /nfs/dbraw/zinc/95/59/44/568955944.db2.gz GUVVSTUCBAMLBM-IEGUWTFLSA-N 0 0 434.584 4.112 50 0 IIAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2ccc(C(C)C)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788225 568956647 /nfs/dbraw/zinc/95/66/47/568956647.db2.gz PZCMZXNKJQFRRK-VWLOTQADSA-N 0 0 443.547 4.257 50 0 IIAARN COc1cccc(-n2c(C[C@H]3c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)c1 ZINC000064790060 568957381 /nfs/dbraw/zinc/95/73/81/568957381.db2.gz CXGLOKHZPJFHEU-QFIPXVFZSA-N 0 0 439.515 4.476 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120419 568957486 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0 IIAARN CCc1ccccc1NC(=O)CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792518 568959332 /nfs/dbraw/zinc/95/93/32/568959332.db2.gz NSGXZZLRJGSBIA-DEOSSOPVSA-N 0 0 436.519 4.325 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000064793255 568959636 /nfs/dbraw/zinc/95/96/36/568959636.db2.gz JGNBTTRLTFIFBM-RDPSFJRHSA-N 0 0 442.567 4.141 50 0 IIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1C1CC1 ZINC000064794062 568959954 /nfs/dbraw/zinc/95/99/54/568959954.db2.gz CUGVLKLVUGXDAG-UHFFFAOYSA-N 0 0 440.529 4.342 50 0 IIAARN COc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1OC ZINC000064797841 568960377 /nfs/dbraw/zinc/96/03/77/568960377.db2.gz IYENCBXNKSJZHU-HNNXBMFYSA-N 0 0 429.519 4.072 50 0 IIAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCOCC2)n1 ZINC000064801122 568960918 /nfs/dbraw/zinc/96/09/18/568960918.db2.gz CSUDTDXLXWKNNA-UHFFFAOYSA-N 0 0 441.894 4.410 50 0 IIAARN COc1cccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c1 ZINC000064801573 568961463 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SLYZZQKYQKRHFF-KRWDZBQOSA-N 0 0 425.504 4.088 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN([C@H]2N=CNc3c2nc2n3CCCCC2)C1 ZINC000036159999 568967486 /nfs/dbraw/zinc/96/74/86/568967486.db2.gz FUHUCRPROBQEPZ-IIBYNOLFSA-N 0 0 440.979 4.184 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1cccc(F)c1 ZINC000036166246 568968612 /nfs/dbraw/zinc/96/86/12/568968612.db2.gz OUNJSABGNPPKIO-QHCPKHFHSA-N 0 0 428.529 4.155 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000064835738 568968845 /nfs/dbraw/zinc/96/88/45/568968845.db2.gz DEYRWDFAGRMXLV-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000064835618 568968999 /nfs/dbraw/zinc/96/89/99/568968999.db2.gz QGENGRQQIOUIHI-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN CSc1ccc(CNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)cc1 ZINC000064859469 568972472 /nfs/dbraw/zinc/97/24/72/568972472.db2.gz YDUQJKZWDBEIDE-UHFFFAOYSA-N 0 0 429.545 4.405 50 0 IIAARN Cc1sc2nc(CN(CCC(C)C)C[C@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207051 568973069 /nfs/dbraw/zinc/97/30/69/568973069.db2.gz WIQWRRYJUUDQLX-IBGZPJMESA-N 0 0 443.613 4.198 50 0 IIAARN Cc1ccc(C)c(-c2csc3[nH]c(CN(C[C@@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206516 568973119 /nfs/dbraw/zinc/97/31/19/568973119.db2.gz UWXCHRGKUJXNFD-GOSISDBHSA-N 0 0 443.613 4.265 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862141 568973876 /nfs/dbraw/zinc/97/38/76/568973876.db2.gz ZWDYDRPYNZFOAW-UHFFFAOYSA-N 0 0 443.569 4.291 50 0 IIAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 ZINC000064862055 568973968 /nfs/dbraw/zinc/97/39/68/568973968.db2.gz BRSCNZJCBYVQKC-UHFFFAOYSA-N 0 0 447.988 4.223 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cc(Cl)ccc1C ZINC000064866415 568974530 /nfs/dbraw/zinc/97/45/30/568974530.db2.gz YIRFPCCTRFUQSJ-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccccc1Cl ZINC000064866671 568974706 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OFARDTNOTQRVFA-DHIUTWEWSA-N 0 0 437.540 4.178 50 0 IIAARN CCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)CC(C)C)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219020 568977622 /nfs/dbraw/zinc/97/76/22/568977622.db2.gz OFARDTNOTQRVFA-PKTZIBPZSA-N 0 0 437.540 4.178 50 0 IIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)c(F)c1 ZINC000064872059 568977793 /nfs/dbraw/zinc/97/77/93/568977793.db2.gz FNNXYJQGXQHXCH-UHFFFAOYSA-N 0 0 426.441 4.243 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc(OC)c1 ZINC000064872839 568978072 /nfs/dbraw/zinc/97/80/72/568978072.db2.gz XZZFSECONCTUCH-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)n2)cc1 ZINC000064873300 568978298 /nfs/dbraw/zinc/97/82/98/568978298.db2.gz NTCGXCLWZWCVIL-UHFFFAOYSA-N 0 0 445.450 4.212 50 0 IIAARN O=C(C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1)N1CCCCCC1 ZINC000064873511 568978397 /nfs/dbraw/zinc/97/83/97/568978397.db2.gz FYPRSIGKYVEJHB-UHFFFAOYSA-N 0 0 444.579 4.064 50 0 IIAARN CCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888178 568979315 /nfs/dbraw/zinc/97/93/15/568979315.db2.gz XCVRKPCBYRUGQR-UHFFFAOYSA-N 0 0 433.577 4.362 50 0 IIAARN CCn1c(=O)[nH]c2cc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000064891022 568981012 /nfs/dbraw/zinc/98/10/12/568981012.db2.gz QLGHXEOCOTWNIC-UHFFFAOYSA-N 0 0 429.436 4.220 50 0 IIAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248340 568982556 /nfs/dbraw/zinc/98/25/56/568982556.db2.gz ZUHFSNGITKWPKS-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1cccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccccc2C)c1 ZINC000036248850 568982985 /nfs/dbraw/zinc/98/29/85/568982985.db2.gz BORTWIULJFIDHC-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248826 568982992 /nfs/dbraw/zinc/98/29/92/568982992.db2.gz VAUVXWXPUYWABS-UHFFFAOYSA-N 0 0 429.469 4.267 50 0 IIAARN Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCOCC2)C2CC2)cc1 ZINC000036249230 568983195 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JJUGLQVMQCQEFY-AREMUKBSSA-N 0 0 432.568 4.287 50 0 biogenic IIAARN O=C(CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O)Nc1ccc(F)cc1 ZINC000036621438 569126206 /nfs/dbraw/zinc/12/62/06/569126206.db2.gz NOELEYWBQNXXTC-UHFFFAOYSA-N 0 0 440.425 4.352 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1nc2c(s1)CN(Cc1ccc(F)cc1)C2=O ZINC000065273980 569128236 /nfs/dbraw/zinc/12/82/36/569128236.db2.gz JVJWMZQSVANNEY-UHFFFAOYSA-N 0 0 426.473 4.481 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccccc3Cl)sc12 ZINC000065294041 569131163 /nfs/dbraw/zinc/13/11/63/569131163.db2.gz WCKQBYPQLKOKCQ-UHFFFAOYSA-N 0 0 425.945 4.196 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)cc1 ZINC000065294143 569131182 /nfs/dbraw/zinc/13/11/82/569131182.db2.gz VNPZVZDITMCZMJ-INIZCTEOSA-N 0 0 449.580 4.421 50 0 IIAARN COc1cccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)c1 ZINC000065294017 569131200 /nfs/dbraw/zinc/13/12/00/569131200.db2.gz BGTWJNYRKWGJJV-INIZCTEOSA-N 0 0 449.580 4.421 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3ccn4c(c3)nnc4-c3cccc(Cl)c3)CC2)c1 ZINC000065296688 569131609 /nfs/dbraw/zinc/13/16/09/569131609.db2.gz ZBUXQVVDAHPTIM-UHFFFAOYSA-N 0 0 447.926 4.021 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)sc12 ZINC000065297122 569131712 /nfs/dbraw/zinc/13/17/12/569131712.db2.gz XBEQRWMWBQBRSX-UHFFFAOYSA-N 0 0 437.956 4.406 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065299830 569132152 /nfs/dbraw/zinc/13/21/52/569132152.db2.gz QJLWDAXRWJBROX-UHFFFAOYSA-N 0 0 431.565 4.498 50 0 IIAARN CCN(Cc1ccccc1)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(F)cc1 ZINC000065306696 569133384 /nfs/dbraw/zinc/13/33/84/569133384.db2.gz WMNGIVGRLSXCOQ-UHFFFAOYSA-N 0 0 445.494 4.397 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(N(C)Cc1ccccc1)n(-c1ccc(Cl)cc1)c2=O ZINC000065306568 569133409 /nfs/dbraw/zinc/13/34/09/569133409.db2.gz RWEPQGFSOPSFIK-UHFFFAOYSA-N 0 0 433.895 4.462 50 0 IIAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cccc(Cl)c1 ZINC000065306658 569133418 /nfs/dbraw/zinc/13/34/18/569133418.db2.gz AKIXZCZQJPBSJR-UHFFFAOYSA-N 0 0 437.883 4.445 50 0 IIAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000065315435 569134012 /nfs/dbraw/zinc/13/40/12/569134012.db2.gz GGTACAUHDBYDJF-UHFFFAOYSA-N 0 0 437.544 4.327 50 0 IIAARN Cc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1 ZINC000065315659 569134253 /nfs/dbraw/zinc/13/42/53/569134253.db2.gz SQDCYECLSXXQPV-UHFFFAOYSA-N 0 0 430.552 4.289 50 0 IIAARN O=C(CCC(=O)N1CC[C@@H](Oc2ccc(Br)cn2)C1)c1ccc(Cl)cc1 ZINC000238914079 569137864 /nfs/dbraw/zinc/13/78/64/569137864.db2.gz SKFVZNNYJCHBSO-MRXNPFEDSA-N 0 0 437.721 4.140 50 0 IIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3F)n(C(C)C)c(=O)c2s1 ZINC000065319422 569134856 /nfs/dbraw/zinc/13/48/56/569134856.db2.gz MIARMFYASMBEOF-UHFFFAOYSA-N 0 0 449.577 4.150 50 0 IIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3cccc(C)c3)n(C(C)C)c(=O)c2s1 ZINC000065319461 569134926 /nfs/dbraw/zinc/13/49/26/569134926.db2.gz IWPBEDZMWDVWHZ-UHFFFAOYSA-N 0 0 445.614 4.319 50 0 IIAARN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313973 569135406 /nfs/dbraw/zinc/13/54/06/569135406.db2.gz FVRDFYSPMDXBHJ-QFIPXVFZSA-N 0 0 442.563 4.026 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)cc1 ZINC000065314888 569135733 /nfs/dbraw/zinc/13/57/33/569135733.db2.gz FCYXNYAYCFUTDL-UHFFFAOYSA-N 0 0 448.592 4.310 50 0 IIAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)N[C@@H](C)c4ccncc4)CC3)nn2)cc1 ZINC000065314865 569135751 /nfs/dbraw/zinc/13/57/51/569135751.db2.gz LFOBIAPEVIRELC-SFHVURJKSA-N 0 0 433.581 4.425 50 0 IIAARN Cc1nc(NC(=O)c2ccc3c(c2)ncn3-c2ccc(C)cc2C)sc1C(=O)N(C)C ZINC000036709134 569136161 /nfs/dbraw/zinc/13/61/61/569136161.db2.gz AKMYRBHUYMHJTF-UHFFFAOYSA-N 0 0 433.537 4.361 50 0 IIAARN Cc1nn(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1-c1ccccc1 ZINC000238817606 569136496 /nfs/dbraw/zinc/13/64/96/569136496.db2.gz BVRBXNPEXIWGHS-UHFFFAOYSA-N 0 0 439.459 4.044 50 0 IIAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc(OC)c1OC ZINC000065331370 569137234 /nfs/dbraw/zinc/13/72/34/569137234.db2.gz AYMJOPLJTYYBFN-AWEZNQCLSA-N 0 0 427.888 4.334 50 0 IIAARN Cc1nc2c(c(N3CCC(NC(=O)Cc4ccc(SC(C)C)cc4)CC3)n1)CCCC2 ZINC000238897018 569137708 /nfs/dbraw/zinc/13/77/08/569137708.db2.gz RDHXHAYOHAYJOC-UHFFFAOYSA-N 0 0 438.641 4.492 50 0 IIAARN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccccc1Br ZINC000238887061 569137798 /nfs/dbraw/zinc/13/77/98/569137798.db2.gz QECSNRVOPLWADQ-UHFFFAOYSA-N 0 0 431.359 4.300 50 0 IIAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCc2sccc2C1 ZINC000065490986 569138719 /nfs/dbraw/zinc/13/87/19/569138719.db2.gz KYPVVRZROJRKQL-UHFFFAOYSA-N 0 0 446.981 4.377 50 0 IIAARN CCCCc1nc(C)c(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)s1 ZINC000065523918 569139177 /nfs/dbraw/zinc/13/91/77/569139177.db2.gz DBPXOOZIJHYGSC-UHFFFAOYSA-N 0 0 429.630 4.295 50 0 IIAARN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000065565077 569139258 /nfs/dbraw/zinc/13/92/58/569139258.db2.gz ADHHXSMHQQYVCY-IFMALSPDSA-N 0 0 438.572 4.215 50 0 IIAARN Cc1c(C(=O)Oc2ccc3c(c2)CCCC3=O)nnn1-c1cccc(Br)c1 ZINC000065536288 569139507 /nfs/dbraw/zinc/13/95/07/569139507.db2.gz CRKUWPOTWZUZIJ-UHFFFAOYSA-N 0 0 426.270 4.076 50 0 IIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1F)C[C@H]1CSCN12 ZINC000037009732 569139581 /nfs/dbraw/zinc/13/95/81/569139581.db2.gz KFFDQOJBCOGZHN-DDVAMESESA-N 0 0 445.947 4.074 50 0 biogenic IIAARN CN(c1ccc(Oc2nccc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000037170566 569140435 /nfs/dbraw/zinc/14/04/35/569140435.db2.gz BLMWWDJCFJDBSW-UHFFFAOYSA-N 0 0 427.379 4.252 50 0 IIAARN COc1cc2ncc(CN3CCc4c(ncn4CCc4ccccc4)C3)cc2c(OC)c1 ZINC000170593523 569141266 /nfs/dbraw/zinc/14/12/66/569141266.db2.gz GDSXMIZKKCMHJJ-UHFFFAOYSA-N 0 0 428.536 4.250 50 0 IIAARN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000170601393 569143141 /nfs/dbraw/zinc/14/31/41/569143141.db2.gz FBCQVUBJENOWBJ-QFBILLFUSA-N 0 0 444.601 4.088 50 0 IIAARN C[C@@H]1CN(c2ccccc2NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C[C@@H](C)O1 ZINC000170602165 569143467 /nfs/dbraw/zinc/14/34/67/569143467.db2.gz KOAFHWVSDKOERW-HZPDHXFCSA-N 0 0 429.517 4.170 50 0 IIAARN COc1ccccc1[C@H]1S[C@@H](C)C(=O)N1CCN(C(=O)c1cccc(F)c1)C(C)C ZINC000037264222 569144123 /nfs/dbraw/zinc/14/41/23/569144123.db2.gz NFECXSQPYIAARW-QMHKHESXSA-N 0 0 430.545 4.348 50 0 IIAARN CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)C1 ZINC000170611534 569145242 /nfs/dbraw/zinc/14/52/42/569145242.db2.gz KZUUPYOOMOBXMN-SNVBAGLBSA-N 0 0 428.327 4.175 50 0 IIAARN O=c1c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(Cl)c2)c(=O)n1CC1CC1 ZINC000037279749 569145631 /nfs/dbraw/zinc/14/56/31/569145631.db2.gz QTGKRIFMXUAHMW-UHFFFAOYSA-N 0 0 441.318 4.114 50 0 IIAARN COc1cccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc21 ZINC000170612691 569145923 /nfs/dbraw/zinc/14/59/23/569145923.db2.gz JQGSDTKKTHTWAY-SFHVURJKSA-N 0 0 429.929 4.316 50 0 IIAARN CCOc1cccc2cc([C@@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(Cl)nc21 ZINC000170612473 569146008 /nfs/dbraw/zinc/14/60/08/569146008.db2.gz UROZAPGLIUSLAA-HNNXBMFYSA-N 0 0 435.958 4.459 50 0 IIAARN COc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Br ZINC000170615049 569146494 /nfs/dbraw/zinc/14/64/94/569146494.db2.gz ZKXYSOSCFOCHES-UHFFFAOYSA-N 0 0 428.691 4.427 50 0 IIAARN CC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000170616123 569146926 /nfs/dbraw/zinc/14/69/26/569146926.db2.gz CDGYFICSFOPCAI-UHFFFAOYSA-N 0 0 432.568 4.379 50 0 IIAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(OC)c1 ZINC000170618389 569147009 /nfs/dbraw/zinc/14/70/09/569147009.db2.gz VWKBHUVDCGAHID-HSZRJFAPSA-N 0 0 438.911 4.453 50 0 IIAARN CC(=O)c1cc(S(=O)(=O)N(CC(F)F)c2ccc(F)cc2)ccc1Br ZINC000170618560 569147141 /nfs/dbraw/zinc/14/71/41/569147141.db2.gz BBBOCWDJIWTAKI-UHFFFAOYSA-N 0 0 436.249 4.251 50 0 IIAARN CCc1[nH]c(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(C)c1C(=O)OC ZINC000170622649 569148018 /nfs/dbraw/zinc/14/80/18/569148018.db2.gz HVPPCIHCZGCJOG-INIZCTEOSA-N 0 0 443.302 4.332 50 0 IIAARN O=C(COc1cccc(Br)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000170623585 569148212 /nfs/dbraw/zinc/14/82/12/569148212.db2.gz LHSQYXVYWBMGEJ-HXUWFJFHSA-N 0 0 438.749 4.454 50 0 IIAARN CN(C)c1ncc(Br)cc1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000170626409 569148621 /nfs/dbraw/zinc/14/86/21/569148621.db2.gz OLQFPEMUKBJZPJ-UHFFFAOYSA-N 0 0 446.374 4.340 50 0 IIAARN O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000009869372 569149361 /nfs/dbraw/zinc/14/93/61/569149361.db2.gz PPLJSMUZNANWTQ-UHFFFAOYSA-N 0 0 435.484 4.111 50 0 IIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O ZINC000009870214 569149457 /nfs/dbraw/zinc/14/94/57/569149457.db2.gz CJIGTPJLZXWXIH-KRWDZBQOSA-N 0 0 429.542 4.174 50 0 IIAARN C[C@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2C1 ZINC000009882618 569149809 /nfs/dbraw/zinc/14/98/09/569149809.db2.gz VDUGVSVMKWSNMG-AWEZNQCLSA-N 0 0 426.538 4.093 50 0 IIAARN Cc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009908550 569150526 /nfs/dbraw/zinc/15/05/26/569150526.db2.gz FVCADUJMIFRVRV-IBGZPJMESA-N 0 0 449.642 4.368 50 0 IIAARN O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000009955293 569151124 /nfs/dbraw/zinc/15/11/24/569151124.db2.gz ZKRRWBUMNRHRTO-UHFFFAOYSA-N 0 0 442.544 4.199 50 0 IIAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1ccccc1 ZINC000009956328 569151205 /nfs/dbraw/zinc/15/12/05/569151205.db2.gz KZEBNUPPYNFYKA-OAQYLSRUSA-N 0 0 432.973 4.104 50 0 IIAARN C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)c1ccc(-n2cncn2)cc1 ZINC000009955965 569151292 /nfs/dbraw/zinc/15/12/92/569151292.db2.gz QUMPYFCTTOWBJQ-UXDRXVOSSA-N 0 0 428.627 4.447 50 0 IIAARN Cc1nc(COc2ccc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)cs1 ZINC000010024565 569151570 /nfs/dbraw/zinc/15/15/70/569151570.db2.gz QJRJGBSMSCNBCS-UHFFFAOYSA-N 0 0 448.548 4.151 50 0 IIAARN COc1ccc2c(c1)CCc1cc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)sc1-2 ZINC000010027155 569151630 /nfs/dbraw/zinc/15/16/30/569151630.db2.gz CIAIHFIHWSCMHS-UHFFFAOYSA-N 0 0 438.593 4.387 50 0 IIAARN CCc1cccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCOCC2)c1 ZINC000010036676 569151906 /nfs/dbraw/zinc/15/19/06/569151906.db2.gz OCQWXEYGOLEEMI-UHFFFAOYSA-N 0 0 437.525 4.207 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000010059497 569152169 /nfs/dbraw/zinc/15/21/69/569152169.db2.gz DDGMFGMEKIIDBR-INIZCTEOSA-N 0 0 436.961 4.005 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119426 569152686 /nfs/dbraw/zinc/15/26/86/569152686.db2.gz SAQQIFIBYOPVOS-UHFFFAOYSA-N 0 0 430.888 4.483 50 0 IIAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)cc2s1 ZINC000010220658 569152955 /nfs/dbraw/zinc/15/29/55/569152955.db2.gz PZMJIZZAWSWWRD-UHFFFAOYSA-N 0 0 441.534 4.271 50 0 IIAARN COc1ccc(SCCC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 ZINC000010219642 569153712 /nfs/dbraw/zinc/15/37/12/569153712.db2.gz MPTWGJIXQOBOCL-UHFFFAOYSA-N 0 0 431.558 4.275 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc32)cc1 ZINC000013349857 569155272 /nfs/dbraw/zinc/15/52/72/569155272.db2.gz RXGPJRSHOZOJNI-UHFFFAOYSA-N 0 0 449.923 4.373 50 0 IIAARN CCc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(C)cc5)c4ncn3c2=O)cc1 ZINC000013349902 569155288 /nfs/dbraw/zinc/15/52/88/569155288.db2.gz LPWIEJUCVCFDQK-UHFFFAOYSA-N 0 0 443.532 4.282 50 0 IIAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000013574953 569155764 /nfs/dbraw/zinc/15/57/64/569155764.db2.gz CNLJUNXHLRAJSF-UHFFFAOYSA-N 0 0 438.505 4.272 50 0 IIAARN COc1cccc(NC(=O)[C@H](OC(=O)[C@@H](C)n2c3ccccc3oc2=O)c2ccccc2)c1 ZINC000014162407 569157901 /nfs/dbraw/zinc/15/79/01/569157901.db2.gz NCMFGGGOAGXVEN-OPAMFIHVSA-N 0 0 446.459 4.087 50 0 IIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H](C)n1c(=O)oc2ccccc21 ZINC000014166528 569157924 /nfs/dbraw/zinc/15/79/24/569157924.db2.gz YAEMYVIFCJUANI-LBPRGKRZSA-N 0 0 443.452 4.429 50 0 IIAARN COc1cccc(NC(=O)[C@@H](OC(=O)[C@H](C)n2c3ccccc3oc2=O)c2ccccc2)c1 ZINC000014162410 569157948 /nfs/dbraw/zinc/15/79/48/569157948.db2.gz NCMFGGGOAGXVEN-AOMKIAJQSA-N 0 0 446.459 4.087 50 0 IIAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccc4c(c3)OCCO4)c2n1 ZINC000014218491 569158250 /nfs/dbraw/zinc/15/82/50/569158250.db2.gz MDANONYEQFQEOZ-UHFFFAOYSA-N 0 0 447.318 4.359 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1Cc2ccccc2S1 ZINC000014379410 569158805 /nfs/dbraw/zinc/15/88/05/569158805.db2.gz VHDSUCBYIBCAPL-MRXNPFEDSA-N 0 0 428.863 4.473 50 0 IIAARN COc1ccccc1OC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000014472636 569159039 /nfs/dbraw/zinc/15/90/39/569159039.db2.gz DMBLQSPXYTWTBK-UHFFFAOYSA-N 0 0 431.897 4.393 50 0 IIAARN Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3N)cc2)cc1 ZINC000089637067 569160282 /nfs/dbraw/zinc/16/02/82/569160282.db2.gz SJVFVJOOOHRTEB-UHFFFAOYSA-N 0 0 431.521 4.490 50 0 IIAARN CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)c1 ZINC000089646799 569160440 /nfs/dbraw/zinc/16/04/40/569160440.db2.gz HFDRVKFKTJXVAB-UHFFFAOYSA-N 0 0 439.899 4.100 50 0 IIAARN COc1cccc(-c2noc(CN3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662026 569160846 /nfs/dbraw/zinc/16/08/46/569160846.db2.gz RTPFTTKFXSIMNB-VQTJNVASSA-N 0 0 442.560 4.499 50 0 IIAARN COc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662150 569160956 /nfs/dbraw/zinc/16/09/56/569160956.db2.gz IMVYGSMOAAUUMT-UXHICEINSA-N 0 0 442.560 4.499 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c(C)c1 ZINC000016839990 569163165 /nfs/dbraw/zinc/16/31/65/569163165.db2.gz GWOVHXDRUORANG-UHFFFAOYSA-N 0 0 428.492 4.438 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccn3)no2)cc1 ZINC000016842965 569163471 /nfs/dbraw/zinc/16/34/71/569163471.db2.gz WYWNCPJIQAYIBS-UHFFFAOYSA-N 0 0 433.518 4.493 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000016846536 569163946 /nfs/dbraw/zinc/16/39/46/569163946.db2.gz PQXOYADJCLQAHC-UHFFFAOYSA-N 0 0 445.497 4.438 50 0 IIAARN OC1(CN(Cc2ccccc2)c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCOCC1 ZINC000089832555 569165324 /nfs/dbraw/zinc/16/53/24/569165324.db2.gz ITRFLLLIUDNJHB-UHFFFAOYSA-N 0 0 444.457 4.106 50 0 IIAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000089847710 569165919 /nfs/dbraw/zinc/16/59/19/569165919.db2.gz ZLVPHFFUHUCACF-UHFFFAOYSA-N 0 0 438.524 4.144 50 0 IIAARN CC(C)n1ccc(C(=O)OCC(COC(=O)c2ccn(C(C)C)n2)c2cccc(F)c2)n1 ZINC000089894091 569166951 /nfs/dbraw/zinc/16/69/51/569166951.db2.gz AFPXHAUJZZSNAE-UHFFFAOYSA-N 0 0 442.491 4.178 50 0 IIAARN CC[C@H](C)NC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000089942281 569168399 /nfs/dbraw/zinc/16/83/99/569168399.db2.gz YZHGJISYXXBWGA-UWVGGRQHSA-N 0 0 432.689 4.175 50 0 IIAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccccc1Br ZINC000017011237 569170451 /nfs/dbraw/zinc/17/04/51/569170451.db2.gz MIOBPDBXMFTMES-UHFFFAOYSA-N 0 0 449.308 4.412 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)cc1 ZINC000037356056 569171212 /nfs/dbraw/zinc/17/12/12/569171212.db2.gz IXJKCPYLJULOFV-UHFFFAOYSA-N 0 0 438.915 4.202 50 0 IIAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 ZINC000017041019 569171502 /nfs/dbraw/zinc/17/15/02/569171502.db2.gz NMPZJSMNVXEQDS-UHFFFAOYSA-N 0 0 437.507 4.487 50 0 IIAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)CCc3ccccc3)[C@@H](C)C2)ncn1 ZINC000037356815 569173087 /nfs/dbraw/zinc/17/30/87/569173087.db2.gz UMKJKWDSBUEWAR-IBGZPJMESA-N 0 0 434.515 4.386 50 0 IIAARN Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000017146442 569174718 /nfs/dbraw/zinc/17/47/18/569174718.db2.gz XRULNHKVZLXAKX-MQNAVGNWSA-N 0 0 444.553 4.332 50 0 IIAARN O=C(COc1cccnc1[N+](=O)[O-])N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000254597516 569176813 /nfs/dbraw/zinc/17/68/13/569176813.db2.gz GWXYQXYOEOTVFH-UHFFFAOYSA-N 0 0 444.369 4.455 50 0 IIAARN Cc1ccccc1C(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1 ZINC000001122993 569176821 /nfs/dbraw/zinc/17/68/21/569176821.db2.gz BGFUQRXVPSCYJY-UHFFFAOYSA-N 0 0 449.580 4.147 50 0 IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000002094006 569179065 /nfs/dbraw/zinc/17/90/65/569179065.db2.gz QINPNZMGLXVXFW-QAPCUYQASA-N 0 0 438.789 4.158 50 0 IIAARN O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170640287 569180187 /nfs/dbraw/zinc/18/01/87/569180187.db2.gz VDJALEJFOFLZFW-UHFFFAOYSA-N 0 0 436.308 4.070 50 0 IIAARN CSCC[C@H](NC(C)=O)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000002105638 569181021 /nfs/dbraw/zinc/18/10/21/569181021.db2.gz PFRIAHQCILBXPN-IBGZPJMESA-N 0 0 441.505 4.057 50 0 biogenic IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCCCC1)nc2-c1ccc2c(c1)OCO2 ZINC000037360764 569181553 /nfs/dbraw/zinc/18/15/53/569181553.db2.gz SSYOKVIFSRYXQG-UHFFFAOYSA-N 0 0 448.914 4.437 50 0 IIAARN O=C1CN(Cc2ccco2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N12 ZINC000002112405 569182092 /nfs/dbraw/zinc/18/20/92/569182092.db2.gz WSHCYRJRTGRFBH-XUZZJYLKSA-N 0 0 445.906 4.299 50 0 biogenic IIAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NCc1ccccn1)nc2-c1cccc(F)c1 ZINC000037376351 569185653 /nfs/dbraw/zinc/18/56/53/569185653.db2.gz ZLILPEXBVZXELB-UHFFFAOYSA-N 0 0 447.424 4.489 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cnccn1 ZINC000002265796 569185802 /nfs/dbraw/zinc/18/58/02/569185802.db2.gz LVNQYZVJLBHSBV-UHFFFAOYSA-N 0 0 446.536 4.065 50 0 IIAARN COc1ccc(-c2csc(C3=C(N)N(CCCc4nnc5ccccn54)CC3=O)n2)cc1 ZINC000252539234 569190216 /nfs/dbraw/zinc/19/02/16/569190216.db2.gz NXAMPIFFEKFBAV-UHFFFAOYSA-N 0 0 446.536 4.056 50 0 IIAARN Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1F ZINC000002195681 569191426 /nfs/dbraw/zinc/19/14/26/569191426.db2.gz HATDVIVNKUHLHI-UHFFFAOYSA-N 0 0 435.484 4.321 50 0 IIAARN COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 ZINC000037384955 569192275 /nfs/dbraw/zinc/19/22/75/569192275.db2.gz VXMKAFHJUWQZSY-UHFFFAOYSA-N 0 0 432.411 4.063 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)c3ccco3)cc2)cc1 ZINC000037400161 569194846 /nfs/dbraw/zinc/19/48/46/569194846.db2.gz JAUWJBFBZJTVFQ-UHFFFAOYSA-N 0 0 443.521 4.354 50 0 IIAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)COC ZINC000037424121 569195524 /nfs/dbraw/zinc/19/55/24/569195524.db2.gz CTZKQJOANRNOTM-AWEZNQCLSA-N 0 0 443.924 4.020 50 0 IIAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2ccccc2Cl)SCC1=O ZINC000037424823 569195679 /nfs/dbraw/zinc/19/56/79/569195679.db2.gz XNCWYMUYRLRMDS-IBGZPJMESA-N 0 0 449.020 4.066 50 0 IIAARN COc1ccccc1NC(=O)N(Cc1cc(Cl)ccc1OS(C)(=O)=O)CC(C)C ZINC000037423644 569195686 /nfs/dbraw/zinc/19/56/86/569195686.db2.gz XIPVOHPTEKUKHJ-UHFFFAOYSA-N 0 0 440.949 4.377 50 0 IIAARN CC[C@@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1 ZINC000037426258 569195817 /nfs/dbraw/zinc/19/58/17/569195817.db2.gz RUQJQURGDSLQNG-MRXNPFEDSA-N 0 0 426.542 4.427 50 0 IIAARN Cc1cn(Cc2ccc(C(=O)NCc3ccco3)cc2)/c(=N/C(=O)c2cccc(C)c2)s1 ZINC000037428393 569196015 /nfs/dbraw/zinc/19/60/15/569196015.db2.gz PWCFMHXKKJTGRZ-RFBIWTDZSA-N 0 0 445.544 4.479 50 0 IIAARN CC[C@@H](C(=O)NCc1ccccn1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037436610 569196306 /nfs/dbraw/zinc/19/63/06/569196306.db2.gz XLQBYPRDAPOZKR-MQPOEVEDSA-N 0 0 449.363 4.260 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000037444272 569197141 /nfs/dbraw/zinc/19/71/41/569197141.db2.gz BKBPDPHOZQJTBF-DZTNWFRXSA-N 0 0 446.551 4.253 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037470489 569197461 /nfs/dbraw/zinc/19/74/61/569197461.db2.gz RGEOHYIPFAAHOM-SJORKVTESA-N 0 0 429.948 4.335 50 0 IIAARN C[C@@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037522127 569198265 /nfs/dbraw/zinc/19/82/65/569198265.db2.gz MWCWLQOVANTJOA-GFCCVEGCSA-N 0 0 441.247 4.345 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2Cc2cccc(OC)c2)C1 ZINC000037526339 569199075 /nfs/dbraw/zinc/19/90/75/569199075.db2.gz BEDFUQVWSYWKHP-KRWDZBQOSA-N 0 0 426.538 4.175 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000037570606 569201253 /nfs/dbraw/zinc/20/12/53/569201253.db2.gz IYHUAUNKNWHRKY-INIZCTEOSA-N 0 0 441.247 4.137 50 0 IIAARN COc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(C)cc4)c3C2)c1 ZINC000037580339 569201910 /nfs/dbraw/zinc/20/19/10/569201910.db2.gz HELSLDJYENAKLB-UHFFFAOYSA-N 0 0 444.535 4.385 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602050 569202364 /nfs/dbraw/zinc/20/23/64/569202364.db2.gz LYKDMIXSELLWMZ-RPBOFIJWSA-N 0 0 432.564 4.315 50 0 IIAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602051 569202389 /nfs/dbraw/zinc/20/23/89/569202389.db2.gz LYKDMIXSELLWMZ-LOSJGSFVSA-N 0 0 432.564 4.315 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(COc3ccccc3)cs2)c1 ZINC000001476084 569212384 /nfs/dbraw/zinc/21/23/84/569212384.db2.gz SDZOTHXAFOJFPJ-UHFFFAOYSA-N 0 0 445.566 4.005 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002249618 569214807 /nfs/dbraw/zinc/21/48/07/569214807.db2.gz QJUCKFOPAKMTNS-HOCLYGCPSA-N 0 0 443.352 4.222 50 0 IIAARN COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3C)C2=O)cc1OC ZINC000027497070 569215837 /nfs/dbraw/zinc/21/58/37/569215837.db2.gz LCXWKQLOCVHFHQ-CPNJWEJPSA-N 0 0 426.494 4.077 50 0 IIAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc12 ZINC000002263919 569216021 /nfs/dbraw/zinc/21/60/21/569216021.db2.gz JDBWZVUZIWVZCV-CQSZACIVSA-N 0 0 434.496 4.376 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)=O ZINC000027500336 569216425 /nfs/dbraw/zinc/21/64/25/569216425.db2.gz JYTRRGGLULLELS-YBEGLDIGSA-N 0 0 430.254 4.118 50 0 IIAARN Cn1c2nnc(SCC(=O)c3ccc(Cl)cc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000002278404 569218000 /nfs/dbraw/zinc/21/80/00/569218000.db2.gz SLWYUVMIJKUZTK-UHFFFAOYSA-N 0 0 444.969 4.150 50 0 IIAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2ccccc2)cc1 ZINC000002280349 569262987 /nfs/dbraw/zinc/26/29/87/569262987.db2.gz HKBOXEWQDWTFTA-JLPGSUDCSA-N 0 0 439.515 4.274 50 0 IIAARN CCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(OC)c2)cc1 ZINC000027527452 569263242 /nfs/dbraw/zinc/26/32/42/569263242.db2.gz NKHVIGBWYZSFNK-UHFFFAOYSA-N 0 0 429.476 4.245 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O ZINC000253411694 569265886 /nfs/dbraw/zinc/26/58/86/569265886.db2.gz OYPJJSCFCHLKIX-OAQYLSRUSA-N 0 0 432.476 4.033 50 0 biogenic IIAARN CN(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000002310458 569272552 /nfs/dbraw/zinc/27/25/52/569272552.db2.gz UHKZHCCPQCGTIL-RUZDIDTESA-N 0 0 434.923 4.413 50 0 IIAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002321114 569274079 /nfs/dbraw/zinc/27/40/79/569274079.db2.gz MMSYRXCTVCBKFF-UHFFFAOYSA-N 0 0 425.467 4.284 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1 ZINC000002348542 569281980 /nfs/dbraw/zinc/28/19/80/569281980.db2.gz KESYXEZALCNQAX-UHFFFAOYSA-N 0 0 440.550 4.311 50 0 IIAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NCc1ccccc1 ZINC000002381946 569292728 /nfs/dbraw/zinc/29/27/28/569292728.db2.gz MJGMXQGVYHTTFC-UHFFFAOYSA-N 0 0 443.532 4.040 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569379298 /nfs/dbraw/zinc/37/92/98/569379298.db2.gz XVAOHYWITQLLEP-QGZVFWFLSA-N 0 0 441.163 4.384 50 0 IIAARN CCOC(=O)c1cnn(CCc2nc(=O)c3c([nH]2)sc(C)c3-c2cccc(Cl)c2)c1 ZINC000096008341 569379641 /nfs/dbraw/zinc/37/96/41/569379641.db2.gz ZGSDQRICTMRNFY-UHFFFAOYSA-N 0 0 442.928 4.229 50 0 IIAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)cc2)cc1 ZINC000096011115 569379796 /nfs/dbraw/zinc/37/97/96/569379796.db2.gz VRENHJPJKAOAMG-UHFFFAOYSA-N 0 0 446.532 4.017 50 0 IIAARN COC(=O)c1sc(NC(=O)CSCC(=O)Nc2cccc(C)c2)nc1C1CCCC1 ZINC000096013940 569380399 /nfs/dbraw/zinc/38/03/99/569380399.db2.gz QIELYUZUJAQXKD-UHFFFAOYSA-N 0 0 447.582 4.206 50 0 IIAARN Cc1ccc(NC(=O)c2ccc3c(c2)N(C)CC3)cc1S(=O)(=O)Nc1ccccc1F ZINC000096013673 569380431 /nfs/dbraw/zinc/38/04/31/569380431.db2.gz ZHPCYCMMEQXVCT-UHFFFAOYSA-N 0 0 439.512 4.180 50 0 IIAARN COc1cccc(N2C[C@@H](C(=O)NCc3sc(-c4ccccc4C)nc3C)CC2=O)c1 ZINC000096024532 569380685 /nfs/dbraw/zinc/38/06/85/569380685.db2.gz BKKIOEPSTPKNIX-KRWDZBQOSA-N 0 0 435.549 4.105 50 0 IIAARN COc1cccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)c1 ZINC000096099513 569381672 /nfs/dbraw/zinc/38/16/72/569381672.db2.gz OUKWDWIWVUSLLQ-UHFFFAOYSA-N 0 0 439.533 4.175 50 0 IIAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104276 569382108 /nfs/dbraw/zinc/38/21/08/569382108.db2.gz VTAPXGBNUVZKNV-UHFFFAOYSA-N 0 0 449.853 4.115 50 0 IIAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096115417 569383362 /nfs/dbraw/zinc/38/33/62/569383362.db2.gz WTVXFUSPTNZDQU-URXFXBBRSA-N 0 0 441.439 4.096 50 0 biogenic IIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116904 569383949 /nfs/dbraw/zinc/38/39/49/569383949.db2.gz LIPUFNZYIUXJQN-HWPZZCPQSA-N 0 0 425.913 4.286 50 0 IIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117283 569384071 /nfs/dbraw/zinc/38/40/71/569384071.db2.gz PRUWJVJQVNMZJR-DNVCBOLYSA-N 0 0 438.553 4.045 50 0 IIAARN 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CCc1nc(CC(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000096317625 569393681 /nfs/dbraw/zinc/39/36/81/569393681.db2.gz UBNXZXGKWAHBIN-UHFFFAOYSA-N 0 0 437.632 4.377 50 0 IIAARN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCc1cccs1 ZINC000096322334 569394562 /nfs/dbraw/zinc/39/45/62/569394562.db2.gz FBHGZJNJQZFQET-UHFFFAOYSA-N 0 0 436.928 4.008 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 ZINC000096322882 569394954 /nfs/dbraw/zinc/39/49/54/569394954.db2.gz FJTCRQKHFNPTRU-UHFFFAOYSA-N 0 0 432.480 4.195 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cc(C)ccc1C)C3 ZINC000096326912 569396305 /nfs/dbraw/zinc/39/63/05/569396305.db2.gz IMFYGWQTWJYPQU-UHFFFAOYSA-N 0 0 425.916 4.216 50 0 IIAARN CSCC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)nn1C)c1nnc2ccccn21 ZINC000096345083 569396998 /nfs/dbraw/zinc/39/69/98/569396998.db2.gz CMPLXWPLHWIUNF-INIZCTEOSA-N 0 0 440.960 4.007 50 0 IIAARN COc1cccc(CNC(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000096386363 569398528 /nfs/dbraw/zinc/39/85/28/569398528.db2.gz QQNREVGSPCPJJB-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN C[C@H](NC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1)c1ccc(F)cc1 ZINC000096386411 569398558 /nfs/dbraw/zinc/39/85/58/569398558.db2.gz VSJGAJKJSFUKBM-HNNXBMFYSA-N 0 0 428.508 4.239 50 0 IIAARN CSc1ccc(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000096386415 569398576 /nfs/dbraw/zinc/39/85/76/569398576.db2.gz PXJZWLMZJHUXBI-UHFFFAOYSA-N 0 0 442.585 4.261 50 0 IIAARN CCc1nc2cc(N3CCC[C@H](C(=O)Nc4ccc(OC)cc4OC)C3)cnc2nc1CC ZINC000096387352 569398899 /nfs/dbraw/zinc/39/88/99/569398899.db2.gz UWPFFLXVRXJHSS-INIZCTEOSA-N 0 0 449.555 4.022 50 0 IIAARN Cc1oc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1C(=O)N1CCCCC1 ZINC000096396937 569399243 /nfs/dbraw/zinc/39/92/43/569399243.db2.gz OFEYCSOJWMSCQP-UHFFFAOYSA-N 0 0 433.911 4.421 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nc2ccc(NS(=O)(=O)CC)cc2s1 ZINC000096399558 569400167 /nfs/dbraw/zinc/40/01/67/569400167.db2.gz MHDRFZPMGTYYJD-UHFFFAOYSA-N 0 0 435.596 4.351 50 0 IIAARN COc1cc(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc(OC)c1 ZINC000096399731 569400269 /nfs/dbraw/zinc/40/02/69/569400269.db2.gz XDOWOVQVOBYZNW-UHFFFAOYSA-N 0 0 449.554 4.387 50 0 IIAARN COc1cc2nc(/C=C/c3ccccc3)nc(NCCCN3CCCC3=O)c2cc1OC ZINC000096562426 569401144 /nfs/dbraw/zinc/40/11/44/569401144.db2.gz HCTXVNJHESQNEC-VAWYXSNFSA-N 0 0 432.524 4.242 50 0 IIAARN O=C(NCc1ccccc1)c1scc(Br)c1C(=O)NCc1ccccc1 ZINC000096568913 569401397 /nfs/dbraw/zinc/40/13/97/569401397.db2.gz NHJGFPJTOZIOKQ-UHFFFAOYSA-N 0 0 429.339 4.371 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2nccn2Cc2ccccc2)C1 ZINC000097049030 569402918 /nfs/dbraw/zinc/40/29/18/569402918.db2.gz JSLZNGCYLUIZRX-QZTJIDSGSA-N 0 0 438.494 4.351 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Br)c2)N2C(=O)CCSC2=N1 ZINC000002502059 569406019 /nfs/dbraw/zinc/40/60/19/569406019.db2.gz TXIWDYBWVHNEEV-QGZVFWFLSA-N 0 0 437.359 4.299 50 0 IIAARN O=C(c1ccc(Oc2nccs2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225637317 569406160 /nfs/dbraw/zinc/40/61/60/569406160.db2.gz BSKJBDRRFIHZEG-UHFFFAOYSA-N 0 0 434.443 4.312 50 0 IIAARN COc1ccc(Br)c(C(=O)N2CCC(Oc3nc4ccccc4o3)CC2)c1 ZINC000225680298 569406743 /nfs/dbraw/zinc/40/67/43/569406743.db2.gz SOYNRTOAULVENA-UHFFFAOYSA-N 0 0 431.286 4.283 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000002619941 569410862 /nfs/dbraw/zinc/41/08/62/569410862.db2.gz GDIDNVZJOTZABS-UHFFFAOYSA-N 0 0 429.549 4.105 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n(C)c2C)cc1 ZINC000002620974 569411052 /nfs/dbraw/zinc/41/10/52/569411052.db2.gz IXJUDFYYQUSCFB-UHFFFAOYSA-N 0 0 426.538 4.119 50 0 IIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(Cl)ccc(C)c2Cl)C1=O ZINC000002627913 569411872 /nfs/dbraw/zinc/41/18/72/569411872.db2.gz ASZDZAZVRBRVGV-NRFANRHFSA-N 0 0 434.323 4.488 50 0 IIAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000002629034 569411954 /nfs/dbraw/zinc/41/19/54/569411954.db2.gz UNMGOTZIGJHUJY-UHFFFAOYSA-N 0 0 443.532 4.179 50 0 IIAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)NCc1ccc2c(c1)OCO2 ZINC000002647168 569414319 /nfs/dbraw/zinc/41/43/19/569414319.db2.gz KZVLBUYUJWPTGQ-LBPRGKRZSA-N 0 0 427.551 4.096 50 0 IIAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)NCc1ccc2c(c1)OCO2 ZINC000002647169 569414341 /nfs/dbraw/zinc/41/43/41/569414341.db2.gz KZVLBUYUJWPTGQ-GFCCVEGCSA-N 0 0 427.551 4.096 50 0 IIAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000002653405 569415132 /nfs/dbraw/zinc/41/51/32/569415132.db2.gz BZAKQSQSGOCTCG-UHFFFAOYSA-N 0 0 436.584 4.373 50 0 IIAARN COCCCn1c(SCC(=O)NC2CCCCC2)nc2c3ccccc3sc2c1=O ZINC000002687374 569416835 /nfs/dbraw/zinc/41/68/35/569416835.db2.gz DLIANUKESKMVNN-UHFFFAOYSA-N 0 0 445.610 4.189 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000230017061 569417437 /nfs/dbraw/zinc/41/74/37/569417437.db2.gz MYCSDMQSSHIWLC-NLWGTHIKSA-N 0 0 440.286 4.440 50 0 IIAARN COc1cc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)c2cc1OC ZINC000002713695 569417902 /nfs/dbraw/zinc/41/79/02/569417902.db2.gz GKHKLOCOEOKVSW-UHFFFAOYSA-N 0 0 433.485 4.316 50 0 IIAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000002724792 569418466 /nfs/dbraw/zinc/41/84/66/569418466.db2.gz KVDGNJFHFUMXDW-QFIPXVFZSA-N 0 0 438.430 4.166 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)NCC1CCCCC1 ZINC000002725799 569418531 /nfs/dbraw/zinc/41/85/31/569418531.db2.gz UFXATPXFHSEXHQ-UHFFFAOYSA-N 0 0 425.533 4.257 50 0 IIAARN CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)cn1 ZINC000002735337 569419715 /nfs/dbraw/zinc/41/97/15/569419715.db2.gz HOWTWIQSGVMNMV-AATRIKPKSA-N 0 0 439.388 4.112 50 0 IIAARN Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ncc(Br)s2)o1 ZINC000002754784 569420344 /nfs/dbraw/zinc/42/03/44/569420344.db2.gz TZAJFYXUZKIBMW-UHFFFAOYSA-N 0 0 435.225 4.323 50 0 IIAARN COC(=O)c1sc2ncn3nc(COc4ccc5cc(OC)ccc5c4)nc3c2c1C ZINC000002790978 569421817 /nfs/dbraw/zinc/42/18/17/569421817.db2.gz KJTQIYXALXQYPF-UHFFFAOYSA-N 0 0 434.477 4.175 50 0 IIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCC(C)CC2)cc1 ZINC000002908620 569424621 /nfs/dbraw/zinc/42/46/21/569424621.db2.gz MZNDAQWFANQRPD-UHFFFAOYSA-N 0 0 427.595 4.165 50 0 IIAARN Cn1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000002917081 569425295 /nfs/dbraw/zinc/42/52/95/569425295.db2.gz OKXWVXAVMZOMNP-UHFFFAOYSA-N 0 0 436.515 4.138 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCn3c4ccccc4nc32)c1C ZINC000002929799 569426148 /nfs/dbraw/zinc/42/61/48/569426148.db2.gz NFWQSEURQGUXAK-UHFFFAOYSA-N 0 0 446.482 4.176 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000002938321 569426447 /nfs/dbraw/zinc/42/64/47/569426447.db2.gz GIKVSAYRFIEWPS-WGJNNHPISA-N 0 0 434.646 4.391 50 0 IIAARN CCOc1ccccc1N(C)C(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc21 ZINC000002943884 569426901 /nfs/dbraw/zinc/42/69/01/569426901.db2.gz HKAMWYRWIONFHQ-UHFFFAOYSA-N 0 0 429.476 4.070 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)ccc1Br ZINC000002947939 569427059 /nfs/dbraw/zinc/42/70/59/569427059.db2.gz DVHURZVKJXZRKU-CQSZACIVSA-N 0 0 439.313 4.228 50 0 IIAARN O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1cccc(Cl)c1 ZINC000056949982 569428487 /nfs/dbraw/zinc/42/84/87/569428487.db2.gz XAUFTEOAWGYDTD-UHFFFAOYSA-N 0 0 428.891 4.334 50 0 IIAARN COc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000057303822 569430654 /nfs/dbraw/zinc/43/06/54/569430654.db2.gz VIQXUYFSDSXGQI-SANMLTNESA-N 0 0 429.520 4.140 50 0 IIAARN COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2Br)sc2c1CCC2 ZINC000057315210 569430752 /nfs/dbraw/zinc/43/07/52/569430752.db2.gz GBPCYMUXKUZRLV-NSHDSACASA-N 0 0 437.359 4.075 50 0 IIAARN COc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc(OC)c1OC ZINC000029544737 569431490 /nfs/dbraw/zinc/43/14/90/569431490.db2.gz UJWHOGOKSFHXFW-UHFFFAOYSA-N 0 0 449.429 4.155 50 0 IIAARN CC(=O)c1cccc(N=c2oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)c1 ZINC000002953218 569432261 /nfs/dbraw/zinc/43/22/61/569432261.db2.gz BOBDGBVIJRHAIH-FVDSYPCUSA-N 0 0 445.450 4.455 50 0 IIAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21)NC1CCCCC1 ZINC000002964431 569432892 /nfs/dbraw/zinc/43/28/92/569432892.db2.gz BXWBMYGEWXQTFN-OAQYLSRUSA-N 0 0 446.576 4.070 50 0 IIAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000057425202 569434381 /nfs/dbraw/zinc/43/43/81/569434381.db2.gz VWOQDBDXGWRNEV-UHFFFAOYSA-N 0 0 438.372 4.361 50 0 IIAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N1CCCC[C@@H]1C ZINC000057425619 569434417 /nfs/dbraw/zinc/43/44/17/569434417.db2.gz MAYFJXCJYLGMSQ-HNNXBMFYSA-N 0 0 443.594 4.008 50 0 IIAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1C ZINC000057427001 569434735 /nfs/dbraw/zinc/43/47/35/569434735.db2.gz HAXNGQXOXJKYRY-UHFFFAOYSA-N 0 0 447.560 4.145 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3cccc(Cl)c3)c2=O)c(C)c1 ZINC000057472909 569435635 /nfs/dbraw/zinc/43/56/35/569435635.db2.gz KFWJDRHAYOIAER-UHFFFAOYSA-N 0 0 447.922 4.120 50 0 IIAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000057472925 569435708 /nfs/dbraw/zinc/43/57/08/569435708.db2.gz JOJAZWRKEBGITB-UHFFFAOYSA-N 0 0 447.922 4.066 50 0 IIAARN Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000003023122 569436057 /nfs/dbraw/zinc/43/60/57/569436057.db2.gz OMXCZYWTAZNPLR-UHFFFAOYSA-N 0 0 426.513 4.482 50 0 IIAARN CCc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 ZINC000003024704 569436235 /nfs/dbraw/zinc/43/62/35/569436235.db2.gz IJUGTAJUMRUKEJ-UHFFFAOYSA-N 0 0 426.513 4.161 50 0 IIAARN COC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486707 569436568 /nfs/dbraw/zinc/43/65/68/569436568.db2.gz NCMKIKSMDFHQSW-UHFFFAOYSA-N 0 0 436.855 4.284 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NC1CCCC1 ZINC000057486934 569436611 /nfs/dbraw/zinc/43/66/11/569436611.db2.gz JPKTUWMTBYLTOH-UHFFFAOYSA-N 0 0 433.281 4.166 50 0 IIAARN CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000057487145 569436655 /nfs/dbraw/zinc/43/66/55/569436655.db2.gz PEKSQMCBMJQIAM-UHFFFAOYSA-N 0 0 448.479 4.260 50 0 IIAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O ZINC000057489772 569437080 /nfs/dbraw/zinc/43/70/80/569437080.db2.gz UKFRHVKQIVKUGS-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1C ZINC000057491582 569437343 /nfs/dbraw/zinc/43/73/43/569437343.db2.gz BCDJPDFNVGNYIT-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3Cl)c2=O)c1 ZINC000057492084 569437414 /nfs/dbraw/zinc/43/74/14/569437414.db2.gz RPNXXHPZQVUYQB-UHFFFAOYSA-N 0 0 439.924 4.123 50 0 IIAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1F ZINC000003031730 569437788 /nfs/dbraw/zinc/43/77/88/569437788.db2.gz KBLDNDFJQJUTRJ-KXBFYZLASA-N 0 0 434.533 4.334 50 0 IIAARN CCCCCC(=O)N[C@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000003034913 569437896 /nfs/dbraw/zinc/43/78/96/569437896.db2.gz AIIXYUXHGMCYJJ-GOSISDBHSA-N 0 0 447.794 4.289 50 0 IIAARN CCCN(CCC)C(=O)CSc1nc2nc(C)c(Cc3ccccc3F)c(C)n2n1 ZINC000003037283 569437978 /nfs/dbraw/zinc/43/79/78/569437978.db2.gz ZKNHKXRUYOMEQO-UHFFFAOYSA-N 0 0 429.565 4.212 50 0 IIAARN COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2C)cc1Cl ZINC000003047668 569438729 /nfs/dbraw/zinc/43/87/29/569438729.db2.gz IISZCKCJCTZAQO-UHFFFAOYSA-N 0 0 448.928 4.440 50 0 IIAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1OC ZINC000003049379 569438924 /nfs/dbraw/zinc/43/89/24/569438924.db2.gz QRPUVJPAXWHYIU-BVZFJXPGSA-N 0 0 444.531 4.321 50 0 IIAARN CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000003059290 569439430 /nfs/dbraw/zinc/43/94/30/569439430.db2.gz JTWUPHVAAWTZKI-CYBMUJFWSA-N 0 0 436.002 4.361 50 0 IIAARN CCN1C[C@H](CN(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)Oc2ccccc21 ZINC000057531678 569439479 /nfs/dbraw/zinc/43/94/79/569439479.db2.gz ATWCDQKALOSNDA-SFHVURJKSA-N 0 0 446.576 4.371 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000030030096 569440516 /nfs/dbraw/zinc/44/05/16/569440516.db2.gz WQDWZOWHISXAHB-ZUSJUXBOSA-N 0 0 428.580 4.385 50 0 IIAARN CC(C)c1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1cccc(Cl)c1 ZINC000030231300 569441192 /nfs/dbraw/zinc/44/11/92/569441192.db2.gz YLDJHODDOYNCKQ-UHFFFAOYSA-N 0 0 432.933 4.273 50 0 IIAARN COC(=O)c1ccc(C(=O)NC(=S)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000003196848 569441528 /nfs/dbraw/zinc/44/15/28/569441528.db2.gz JDQHQZPBXVYYGJ-UHFFFAOYSA-N 0 0 437.502 4.470 50 0 IIAARN Cc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)ccc1Br ZINC000003232784 569442359 /nfs/dbraw/zinc/44/23/59/569442359.db2.gz MCVTTZRXTADMIL-UHFFFAOYSA-N 0 0 431.311 4.058 50 0 IIAARN Cc1cc(SCC(=O)OCC(=O)N2CCc3ccccc32)c(C)cc1Br ZINC000003232597 569442368 /nfs/dbraw/zinc/44/23/68/569442368.db2.gz GCVVPGWAWQSWGQ-UHFFFAOYSA-N 0 0 434.355 4.291 50 0 IIAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1OCC ZINC000003239163 569442549 /nfs/dbraw/zinc/44/25/49/569442549.db2.gz BEEDVWVUCRHGHU-UHFFFAOYSA-N 0 0 436.302 4.350 50 0 IIAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 ZINC000003263021 569443307 /nfs/dbraw/zinc/44/33/07/569443307.db2.gz CSTIUJJHPISYPX-UHFFFAOYSA-N 0 0 432.354 4.346 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000003291787 569444508 /nfs/dbraw/zinc/44/45/08/569444508.db2.gz INLXEMRHNOLQGM-UHFFFAOYSA-N 0 0 446.809 4.276 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 ZINC000003304872 569445182 /nfs/dbraw/zinc/44/51/82/569445182.db2.gz YMMIEBMTXDKHMN-UHFFFAOYSA-N 0 0 448.504 4.353 50 0 IIAARN Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C(=O)NCCc3ccccc3)C2=O)c(C)c1 ZINC000003311680 569445532 /nfs/dbraw/zinc/44/55/32/569445532.db2.gz PBJLCERUEFJTQN-HSZRJFAPSA-N 0 0 441.531 4.020 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 ZINC000003319358 569445887 /nfs/dbraw/zinc/44/58/87/569445887.db2.gz OAICKWDQAMOSTE-UHFFFAOYSA-N 0 0 441.560 4.315 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)n1CC(F)(F)F ZINC000003335519 569446673 /nfs/dbraw/zinc/44/66/73/569446673.db2.gz WIQVJQPUHTZSHH-UHFFFAOYSA-N 0 0 433.213 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/nfs/dbraw/zinc/44/86/20/569448620.db2.gz CAOWMNMZFCMKGQ-CYBMUJFWSA-N 0 0 439.280 4.015 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1 ZINC000003374810 569448627 /nfs/dbraw/zinc/44/86/27/569448627.db2.gz KZQDCAPDXMTYBF-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000003385872 569448969 /nfs/dbraw/zinc/44/89/69/569448969.db2.gz PMROSAPLVCYHLM-OXQOHEQNSA-N 0 0 440.544 4.233 50 0 IIAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000058161736 569449267 /nfs/dbraw/zinc/44/92/67/569449267.db2.gz JBKDBTHEXMKSBH-UHFFFAOYSA-N 0 0 427.932 4.303 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000504735762 569449594 /nfs/dbraw/zinc/44/95/94/569449594.db2.gz OIPMLQRSGHHVDU-OUIFVKKZSA-N 0 0 436.552 4.339 50 0 biogenic IIAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 ZINC000003418166 569450317 /nfs/dbraw/zinc/45/03/17/569450317.db2.gz IVLREGZCKYWFIF-UHFFFAOYSA-N 0 0 445.500 4.154 50 0 IIAARN Cc1cc(C)c(C(=O)COC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1C ZINC000003423803 569450458 /nfs/dbraw/zinc/45/04/58/569450458.db2.gz MJMJSHFGNHYXKL-RDPSFJRHSA-N 0 0 441.524 4.068 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)cc1 ZINC000003423600 569450469 /nfs/dbraw/zinc/45/04/69/569450469.db2.gz VNLLMVYPDFXSCF-UHFFFAOYSA-N 0 0 444.534 4.159 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000003433557 569450963 /nfs/dbraw/zinc/45/09/63/569450963.db2.gz NENNTWOAVJTOHB-UHFFFAOYSA-N 0 0 430.810 4.116 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003493055 569452636 /nfs/dbraw/zinc/45/26/36/569452636.db2.gz OGIPUBALDLCMGA-MRVPVSSYSA-N 0 0 429.720 4.137 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)no1 ZINC000003498413 569452685 /nfs/dbraw/zinc/45/26/85/569452685.db2.gz DOJOJHXUOSKHCD-UHFFFAOYSA-N 0 0 426.885 4.066 50 0 IIAARN COc1ccc(-n2nnnc2S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000003531138 569453444 /nfs/dbraw/zinc/45/34/44/569453444.db2.gz DLQQAZKAOSOUDT-FQEVSTJZSA-N 0 0 435.484 4.282 50 0 IIAARN NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000003597787 569454756 /nfs/dbraw/zinc/45/47/56/569454756.db2.gz RRCKSXLEMDBUAF-UHFFFAOYSA-N 0 0 428.345 4.044 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000003661058 569455930 /nfs/dbraw/zinc/45/59/30/569455930.db2.gz ZJKSWCKAUPRSCX-DNQXCXABSA-N 0 0 446.503 4.262 50 0 IIAARN Cc1sc2ncn(CC(=O)Nc3ccccc3N3CCc4ccccc43)c(=O)c2c1C ZINC000031532651 569456648 /nfs/dbraw/zinc/45/66/48/569456648.db2.gz ZADFOOALGOEKND-UHFFFAOYSA-N 0 0 430.533 4.408 50 0 IIAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000032072768 569459276 /nfs/dbraw/zinc/45/92/76/569459276.db2.gz VYYCQPVBLQSFPT-QFIPXVFZSA-N 0 0 429.476 4.385 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1Cl ZINC000004122667 569460014 /nfs/dbraw/zinc/46/00/14/569460014.db2.gz OTJLJHQVVBTNIY-UHFFFAOYSA-N 0 0 435.933 4.079 50 0 IIAARN CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c2cccc(C)c21 ZINC000032102456 569460113 /nfs/dbraw/zinc/46/01/13/569460113.db2.gz CLLPCRCMKKLGJD-QHCPKHFHSA-N 0 0 429.505 4.435 50 0 IIAARN COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3Br)o1)C2 ZINC000032102676 569460212 /nfs/dbraw/zinc/46/02/12/569460212.db2.gz JPTRVICPIPFGNE-MRXNPFEDSA-N 0 0 447.310 4.416 50 0 IIAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)C(=O)C1CCC1 ZINC000004146357 569460508 /nfs/dbraw/zinc/46/05/08/569460508.db2.gz VXDISXDZRIIPHW-HSZRJFAPSA-N 0 0 444.572 4.027 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O ZINC000004161579 569460582 /nfs/dbraw/zinc/46/05/82/569460582.db2.gz VZZKTCYEJJLKCE-UHFFFAOYSA-N 0 0 425.554 4.171 50 0 IIAARN CCOC(=O)[C@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccccc1C ZINC000004209027 569460995 /nfs/dbraw/zinc/46/09/95/569460995.db2.gz RWCCTFHGSFWGOG-HNNXBMFYSA-N 0 0 427.526 4.304 50 0 IIAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032426349 569461627 /nfs/dbraw/zinc/46/16/27/569461627.db2.gz ZFXOIDHLUXILAS-XMMPIXPASA-N 0 0 427.435 4.188 50 0 IIAARN O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000032452721 569461740 /nfs/dbraw/zinc/46/17/40/569461740.db2.gz FWDCHZNDOQXHJW-UHFFFAOYSA-N 0 0 444.260 4.253 50 0 IIAARN CCOc1ccc([C@H](NC(=O)[C@@H]2CCCN(c3ncccn3)C2)C(C)C)cc1OCC ZINC000032462926 569461833 /nfs/dbraw/zinc/46/18/33/569461833.db2.gz KJKDUNCCGQGDOA-DENIHFKCSA-N 0 0 426.561 4.004 50 0 IIAARN Cc1ccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000008041155 569462111 /nfs/dbraw/zinc/46/21/11/569462111.db2.gz WXKVJDUWGRUPOB-UHFFFAOYSA-N 0 0 428.598 4.023 50 0 IIAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008130090 569462277 /nfs/dbraw/zinc/46/22/77/569462277.db2.gz XAXDTTGLUJIFAK-OALUTQOASA-N 0 0 427.618 4.135 50 0 IIAARN COc1ccc(CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)cc1 ZINC000008164453 569462417 /nfs/dbraw/zinc/46/24/17/569462417.db2.gz RUUMVSPSYWEHPI-UHFFFAOYSA-N 0 0 426.944 4.392 50 0 IIAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)oc2cc(O)ccc12 ZINC000038206323 569462422 /nfs/dbraw/zinc/46/24/22/569462422.db2.gz RATPUKAXDDJHAM-UHFFFAOYSA-N 0 0 429.885 4.152 50 0 IIAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)N2CCN(C)CC2)c1C ZINC000038546744 569463641 /nfs/dbraw/zinc/46/36/41/569463641.db2.gz ZIHKAIHSFFLWTO-HXUWFJFHSA-N 0 0 426.611 4.411 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209040 569464784 /nfs/dbraw/zinc/46/47/84/569464784.db2.gz NFFILLZEJCLNTH-UHFFFAOYSA-N 0 0 437.546 4.495 50 0 IIAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000067209110 569464796 /nfs/dbraw/zinc/46/47/96/569464796.db2.gz XHUWZQTVXDTWMP-GJZGRUSLSA-N 0 0 427.595 4.352 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)c(C)c1 ZINC000067218394 569464956 /nfs/dbraw/zinc/46/49/56/569464956.db2.gz CURSAROEWROVIT-UHFFFAOYSA-N 0 0 447.560 4.395 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c(C)c1 ZINC000067225730 569465169 /nfs/dbraw/zinc/46/51/69/569465169.db2.gz CAZDIIIRRUOJEB-UHFFFAOYSA-N 0 0 447.564 4.053 50 0 IIAARN CSc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)c1 ZINC000067236385 569465419 /nfs/dbraw/zinc/46/54/19/569465419.db2.gz OHWIUVUOTHSYMH-UHFFFAOYSA-N 0 0 440.550 4.127 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237573 569465541 /nfs/dbraw/zinc/46/55/41/569465541.db2.gz LTMDKGABQSGIJN-LJQANCHMSA-N 0 0 448.523 4.057 50 0 IIAARN CN(c1ccsc1C(=O)NCc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245575 569465894 /nfs/dbraw/zinc/46/58/94/569465894.db2.gz LZJDKWVMCOSVGD-UHFFFAOYSA-N 0 0 438.933 4.296 50 0 IIAARN Cc1noc(C)c1Cn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O ZINC000067260302 569466350 /nfs/dbraw/zinc/46/63/50/569466350.db2.gz BSWLKSHCDMWDLF-UHFFFAOYSA-N 0 0 433.493 4.445 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000067261731 569466624 /nfs/dbraw/zinc/46/66/24/569466624.db2.gz KBAOVIFUKVCCPZ-HNNXBMFYSA-N 0 0 433.899 4.482 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2C1 ZINC000038678286 569466654 /nfs/dbraw/zinc/46/66/54/569466654.db2.gz MLZVFCNTVAOEIA-UHFFFAOYSA-N 0 0 432.611 4.297 50 0 IIAARN COc1cccc(-n2nnc(C(=O)NCc3ccc(F)cc3Cl)c2-c2ccncc2)c1 ZINC000067261772 569466656 /nfs/dbraw/zinc/46/66/56/569466656.db2.gz ZFZJPBBZSVDQHQ-UHFFFAOYSA-N 0 0 437.862 4.060 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5cc(C)ccc5C)CC4)nccn3n2)cc1OC ZINC000067285332 569466836 /nfs/dbraw/zinc/46/68/36/569466836.db2.gz CWWWBWGPXRCDSJ-UHFFFAOYSA-N 0 0 443.551 4.357 50 0 IIAARN CCOc1ccc(-c2cc3c(SCC(=O)NCc4cccc(OC)c4)nccn3n2)cc1 ZINC000067290472 569467584 /nfs/dbraw/zinc/46/75/84/569467584.db2.gz IVDCDMKLMXQGKM-UHFFFAOYSA-N 0 0 448.548 4.212 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000067293974 569467879 /nfs/dbraw/zinc/46/78/79/569467879.db2.gz UHEKMMNDCADWHU-KQYPGELLSA-N 0 0 430.863 4.375 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067295676 569467949 /nfs/dbraw/zinc/46/79/49/569467949.db2.gz IWQLSZGVZIQBNE-PNHLSOANSA-N 0 0 443.459 4.416 50 0 IIAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2C(C)C)c(=O)c1CCO ZINC000067300724 569468224 /nfs/dbraw/zinc/46/82/24/569468224.db2.gz MFKXSDLGVVDDTA-UHFFFAOYSA-N 0 0 439.943 4.169 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)Nc3ccc(Cl)cc3F)c2c(=O)n1CC(C)C ZINC000067319974 569468558 /nfs/dbraw/zinc/46/85/58/569468558.db2.gz JHOAYRRKEJDECX-UHFFFAOYSA-N 0 0 436.940 4.316 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3ccc(C(C)C)cc3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067319743 569468574 /nfs/dbraw/zinc/46/85/74/569468574.db2.gz WJSZDQOLYHKEPI-UHFFFAOYSA-N 0 0 426.586 4.221 50 0 IIAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000038787947 569469128 /nfs/dbraw/zinc/46/91/28/569469128.db2.gz GVDPMHTWTXVEDI-XDHUDOTRSA-N 0 0 430.508 4.301 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccco2)n1CC ZINC000008620133 569469382 /nfs/dbraw/zinc/46/93/82/569469382.db2.gz RKDANAXZEQIFQE-UHFFFAOYSA-N 0 0 434.543 4.144 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)ccc1F ZINC000008608921 569469396 /nfs/dbraw/zinc/46/93/96/569469396.db2.gz HSSHZFGZSCECAM-LJQANCHMSA-N 0 0 439.480 4.419 50 0 IIAARN CCOC(=O)Cn1c2ccccc2s/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000038930217 569469578 /nfs/dbraw/zinc/46/95/78/569469578.db2.gz HWIVZDWSZZSCEL-BSYVCWPDSA-N 0 0 432.929 4.204 50 0 IIAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000008706808 569470559 /nfs/dbraw/zinc/47/05/59/569470559.db2.gz OIKVPUWMJDXQPJ-JOCHJYFZSA-N 0 0 437.883 4.220 50 0 IIAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000008710678 569470945 /nfs/dbraw/zinc/47/09/45/569470945.db2.gz CHACVKMTYPNLLI-GOSISDBHSA-N 0 0 430.504 4.476 50 0 IIAARN CCc1ccc2oc(C(=O)NC[C@H](c3cccn3-c3ccc(C)cc3)N(C)C)cc(=O)c2c1 ZINC000008717991 569471208 /nfs/dbraw/zinc/47/12/08/569471208.db2.gz LKKBSHUAVFVWBL-HSZRJFAPSA-N 0 0 443.547 4.487 50 0 IIAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2Cl)c2cccnc2)cc1 ZINC000008718007 569471237 /nfs/dbraw/zinc/47/12/37/569471237.db2.gz YLGYKFCRGIFHAF-LJQANCHMSA-N 0 0 432.904 4.128 50 0 IIAARN O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008719490 569471433 /nfs/dbraw/zinc/47/14/33/569471433.db2.gz JHARHVILCDTAFO-HNNXBMFYSA-N 0 0 448.426 4.073 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000008723406 569471895 /nfs/dbraw/zinc/47/18/95/569471895.db2.gz RCERDHHCUNBGGY-KRWDZBQOSA-N 0 0 434.492 4.212 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000008725999 569472256 /nfs/dbraw/zinc/47/22/56/569472256.db2.gz CMMDHEUPURPVGY-OAQYLSRUSA-N 0 0 436.562 4.335 50 0 IIAARN CC(C)Cn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1ccccc1F ZINC000008763011 569474428 /nfs/dbraw/zinc/47/44/28/569474428.db2.gz CLNQMBUCGMXSKQ-OAHLLOKOSA-N 0 0 447.580 4.379 50 0 IIAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@@]1(O)C(F)(F)F ZINC000008777902 569475466 /nfs/dbraw/zinc/47/54/66/569475466.db2.gz RBSGBCDKLQBTMC-QRWLVFNGSA-N 0 0 446.454 4.251 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@]1(O)C(F)(F)F ZINC000008777900 569475472 /nfs/dbraw/zinc/47/54/72/569475472.db2.gz RBSGBCDKLQBTMC-MGPUTAFESA-N 0 0 446.454 4.251 50 0 IIAARN Cc1nn(CCc2nnc(-c3ccc(COc4ccc5c(c4)OCO5)o3)o2)c(C)c1Cl ZINC000008782574 569475841 /nfs/dbraw/zinc/47/58/41/569475841.db2.gz IOIVUBICXHXHEY-UHFFFAOYSA-N 0 0 442.859 4.347 50 0 IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCc4cccnc4)ccc23)cc1 ZINC000008789988 569476013 /nfs/dbraw/zinc/47/60/13/569476013.db2.gz KNJLNSSHXSDQIX-QGZVFWFLSA-N 0 0 444.487 4.256 50 0 biogenic IIAARN O=C(NCCc1cccc(F)c1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791167 569476157 /nfs/dbraw/zinc/47/61/57/569476157.db2.gz MCGFMPYSRINADF-UKILVPOCSA-N 0 0 439.490 4.136 50 0 biogenic IIAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000008811216 569476607 /nfs/dbraw/zinc/47/66/07/569476607.db2.gz SXPBXNVPPZHGOS-GQIGUUNPSA-N 0 0 432.586 4.470 50 0 IIAARN O=C(COc1ncnc2ccc(Br)cc21)Nc1ccc(C(F)(F)F)cc1 ZINC000008825248 569477370 /nfs/dbraw/zinc/47/73/70/569477370.db2.gz RZZJEKKBXIATDO-UHFFFAOYSA-N 0 0 426.192 4.429 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000008825586 569477463 /nfs/dbraw/zinc/47/74/63/569477463.db2.gz BIKRTVDVJFIBTM-UHFFFAOYSA-N 0 0 434.492 4.084 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840966 569478399 /nfs/dbraw/zinc/47/83/99/569478399.db2.gz KQTDLOGPFNHPDE-UHFFFAOYSA-N 0 0 443.569 4.080 50 0 IIAARN CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)c1 ZINC000008845145 569478736 /nfs/dbraw/zinc/47/87/36/569478736.db2.gz HODPBIASVKENHD-XMMPIXPASA-N 0 0 426.476 4.321 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)c1 ZINC000008850991 569479343 /nfs/dbraw/zinc/47/93/43/569479343.db2.gz GTYMXMXZATWQAS-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN Cc1ccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008851886 569479404 /nfs/dbraw/zinc/47/94/04/569479404.db2.gz QIBORAMPYGZROR-UHFFFAOYSA-N 0 0 429.542 4.180 50 0 IIAARN CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000008851713 569479411 /nfs/dbraw/zinc/47/94/11/569479411.db2.gz BGAYHIXCWOMLRP-FQEVSTJZSA-N 0 0 448.997 4.013 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1NC(C)=O ZINC000008852164 569479462 /nfs/dbraw/zinc/47/94/62/569479462.db2.gz WYEANXRPGYMGHE-UHFFFAOYSA-N 0 0 436.580 4.168 50 0 IIAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000008862214 569480155 /nfs/dbraw/zinc/48/01/55/569480155.db2.gz XBKRZHIZWJCMIX-UHFFFAOYSA-N 0 0 427.529 4.441 50 0 IIAARN CCCOc1cccc(C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008869852 569480497 /nfs/dbraw/zinc/48/04/97/569480497.db2.gz JKZIUPHJNUVUED-JOCHJYFZSA-N 0 0 437.561 4.458 50 0 IIAARN Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000008871060 569480716 /nfs/dbraw/zinc/48/07/16/569480716.db2.gz WQWHUAHEVXOKRR-UHFFFAOYSA-N 0 0 438.509 4.248 50 0 IIAARN Cc1c(C)c2c(OCC(=O)NCCc3ccsc3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008877220 569481213 /nfs/dbraw/zinc/48/12/13/569481213.db2.gz AULILOWMILNUBF-UHFFFAOYSA-N 0 0 441.549 4.313 50 0 biogenic IIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C)C(=O)NCc2ccco2)c1 ZINC000039620714 569481846 /nfs/dbraw/zinc/48/18/46/569481846.db2.gz ZTOUGLLKRWEXHB-QGZVFWFLSA-N 0 0 445.475 4.003 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1C ZINC000040024763 569482814 /nfs/dbraw/zinc/48/28/14/569482814.db2.gz UDISUGIHRNLQFG-QGZVFWFLSA-N 0 0 435.524 4.026 50 0 IIAARN CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000068926700 569482848 /nfs/dbraw/zinc/48/28/48/569482848.db2.gz VZPMWMPHGYRAPL-QHCPKHFHSA-N 0 0 445.922 4.075 50 0 IIAARN O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)NC(=O)NCc1ccccc1 ZINC000008883639 569483066 /nfs/dbraw/zinc/48/30/66/569483066.db2.gz UXZDWNCVHOXNHU-QFIPXVFZSA-N 0 0 434.517 4.089 50 0 IIAARN CC(=O)N[C@H](CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1)c1cccs1 ZINC000040032319 569483108 /nfs/dbraw/zinc/48/31/08/569483108.db2.gz PCNWQRVNTJHXCN-DOTOQJQBSA-N 0 0 429.567 4.137 50 0 IIAARN Cc1cccc(NC(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 ZINC000040038958 569483316 /nfs/dbraw/zinc/48/33/16/569483316.db2.gz SUPAGQNMTYKMGT-UHFFFAOYSA-N 0 0 445.445 4.414 50 0 IIAARN CN(c1ccccc1C(=O)Oc1ccc2cc(Br)ccc2c1)S(C)(=O)=O ZINC000040040329 569483449 /nfs/dbraw/zinc/48/34/49/569483449.db2.gz OYZYSSGLZGIABH-UHFFFAOYSA-N 0 0 434.311 4.217 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)c(C)n1CCc1cccs1 ZINC000040040299 569483456 /nfs/dbraw/zinc/48/34/56/569483456.db2.gz GWSFYGTVPSECCT-UHFFFAOYSA-N 0 0 436.537 4.039 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)nn1-c1ccc(Cl)cc1 ZINC000040050900 569484286 /nfs/dbraw/zinc/48/42/86/569484286.db2.gz ZUQNXMVNOJOUGG-UHFFFAOYSA-N 0 0 447.926 4.090 50 0 IIAARN O=c1nc(CSc2nnnn2C2CCCC2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000008901571 569484365 /nfs/dbraw/zinc/48/43/65/569484365.db2.gz BCQFNEZWFZKOCN-UHFFFAOYSA-N 0 0 428.518 4.185 50 0 IIAARN O=C(CSc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)N1CCCC1 ZINC000040057663 569484627 /nfs/dbraw/zinc/48/46/27/569484627.db2.gz KYVXFQKOTVJFAH-UHFFFAOYSA-N 0 0 446.576 4.207 50 0 IIAARN CCCc1ccc([C@H](NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 ZINC000040058587 569484659 /nfs/dbraw/zinc/48/46/59/569484659.db2.gz VWAAVSPSRMBCGU-NRFANRHFSA-N 0 0 449.619 4.172 50 0 IIAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cc12 ZINC000040060298 569484832 /nfs/dbraw/zinc/48/48/32/569484832.db2.gz NVYVXEVVUNUHEE-UHFFFAOYSA-N 0 0 428.521 4.469 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)c1OC ZINC000008911720 569484932 /nfs/dbraw/zinc/48/49/32/569484932.db2.gz JXJXQDIKMAWBRD-UHFFFAOYSA-N 0 0 439.581 4.463 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCc1ccccc1C ZINC000008912200 569484944 /nfs/dbraw/zinc/48/49/44/569484944.db2.gz PQMFICVXQOLEAL-HXUWFJFHSA-N 0 0 428.536 4.032 50 0 IIAARN O=C(Nc1ccnn1C1CCCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000040069344 569485327 /nfs/dbraw/zinc/48/53/27/569485327.db2.gz CITRRRIGMJWUOJ-AWEZNQCLSA-N 0 0 431.334 4.142 50 0 IIAARN O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000040069539 569485401 /nfs/dbraw/zinc/48/54/01/569485401.db2.gz MSMIUDLGUZDORF-UHFFFAOYSA-N 0 0 448.420 4.183 50 0 IIAARN CN(CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040071048 569485691 /nfs/dbraw/zinc/48/56/91/569485691.db2.gz SPUDCQLANOVAKM-OAQYLSRUSA-N 0 0 432.973 4.029 50 0 IIAARN CCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)sc2c1CCCC2 ZINC000008916741 569485801 /nfs/dbraw/zinc/48/58/01/569485801.db2.gz BBYXJNUDRMNOMS-UHFFFAOYSA-N 0 0 430.913 4.389 50 0 IIAARN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1F ZINC000008920660 569486550 /nfs/dbraw/zinc/48/65/50/569486550.db2.gz NYBOOBKASONJNH-UHFFFAOYSA-N 0 0 425.876 4.340 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCC)c(OC)c2)N3)C1 ZINC000008921424 569486823 /nfs/dbraw/zinc/48/68/23/569486823.db2.gz XFWOVTLOPZRSIA-SFHVURJKSA-N 0 0 431.514 4.099 50 0 IIAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000008921810 569486879 /nfs/dbraw/zinc/48/68/79/569486879.db2.gz ZUFZXRVKLLMOMO-QFIPXVFZSA-N 0 0 428.326 4.155 50 0 IIAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000008921808 569486880 /nfs/dbraw/zinc/48/68/80/569486880.db2.gz ZUFZXRVKLLMOMO-JOCHJYFZSA-N 0 0 428.326 4.155 50 0 IIAARN Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@H](c3ccccc3)CC2=O)c(C)c1 ZINC000008931829 569487621 /nfs/dbraw/zinc/48/76/21/569487621.db2.gz RQESJRGHPRPJOI-QHCPKHFHSA-N 0 0 448.544 4.194 50 0 IIAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c21 ZINC000008933146 569487736 /nfs/dbraw/zinc/48/77/36/569487736.db2.gz GNYBOURBTCGPMF-WMZHIEFXSA-N 0 0 442.563 4.403 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000008936588 569488083 /nfs/dbraw/zinc/48/80/83/569488083.db2.gz RQOAGCVZCOOBAF-UHFFFAOYSA-N 0 0 448.585 4.041 50 0 IIAARN Cn1nc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c2ccccc2c1=O ZINC000008941316 569488596 /nfs/dbraw/zinc/48/85/96/569488596.db2.gz HXRIJIDGVBDOJO-UHFFFAOYSA-N 0 0 444.438 4.252 50 0 IIAARN COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccc(C)c1 ZINC000008941137 569488597 /nfs/dbraw/zinc/48/85/97/569488597.db2.gz BWKGPHUHKIITEQ-UHFFFAOYSA-N 0 0 446.960 4.293 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)n2C)c1 ZINC000008943197 569488722 /nfs/dbraw/zinc/48/87/22/569488722.db2.gz KVOWEJIGGXGNLR-UHFFFAOYSA-N 0 0 438.340 4.232 50 0 IIAARN CS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)ccc21 ZINC000008943801 569488886 /nfs/dbraw/zinc/48/88/86/569488886.db2.gz SNSRTQGFTQWACN-UHFFFAOYSA-N 0 0 439.562 4.148 50 0 IIAARN O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000040115521 569489265 /nfs/dbraw/zinc/48/92/65/569489265.db2.gz XTAZTHWLHUAKKO-QGZVFWFLSA-N 0 0 444.938 4.072 50 0 IIAARN COc1cccc(-c2nc(CSc3nc4nc(C)c(C)c(C)n4n3)cs2)c1OC ZINC000040119234 569489373 /nfs/dbraw/zinc/48/93/73/569489373.db2.gz ZYBLBGAFWIOGGA-UHFFFAOYSA-N 0 0 427.555 4.483 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)Nc1cccc(Cl)c1)c2=O ZINC000008955579 569490109 /nfs/dbraw/zinc/49/01/09/569490109.db2.gz QYTGKVPDFMXLJU-UHFFFAOYSA-N 0 0 428.876 4.260 50 0 IIAARN CCc1ccc(-c2nn(CC(=O)Nc3cccc(OC)c3)c(=O)c3nc(C)sc32)cc1 ZINC000008956091 569490212 /nfs/dbraw/zinc/49/02/12/569490212.db2.gz YUURYJBQJUZSCN-UHFFFAOYSA-N 0 0 434.521 4.038 50 0 IIAARN CCOc1cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc(OCC)c1OCC ZINC000008959207 569490276 /nfs/dbraw/zinc/49/02/76/569490276.db2.gz CSVXMDBKTFRDOX-UHFFFAOYSA-N 0 0 442.512 4.492 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 ZINC000008958993 569490298 /nfs/dbraw/zinc/49/02/98/569490298.db2.gz NKDNZSYQXRNGIR-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000040132509 569490385 /nfs/dbraw/zinc/49/03/85/569490385.db2.gz GBGQPJYJTDYMBS-INIZCTEOSA-N 0 0 428.558 4.113 50 0 IIAARN Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000040135100 569490643 /nfs/dbraw/zinc/49/06/43/569490643.db2.gz KEBUSIYPIMUOHT-UHFFFAOYSA-N 0 0 435.480 4.405 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c(OC)c1 ZINC000008965194 569491344 /nfs/dbraw/zinc/49/13/44/569491344.db2.gz YYDXJWWWIRXKOM-QGZVFWFLSA-N 0 0 446.507 4.021 50 0 IIAARN C[C@@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccncc1 ZINC000040143171 569491869 /nfs/dbraw/zinc/49/18/69/569491869.db2.gz CYXITSZLVSFCOA-CYBMUJFWSA-N 0 0 428.286 4.109 50 0 IIAARN CCOc1ccccc1-c1nc(CC(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)cs1 ZINC000040146346 569492310 /nfs/dbraw/zinc/49/23/10/569492310.db2.gz OKMSYERMOKSWKY-QHCPKHFHSA-N 0 0 449.576 4.231 50 0 IIAARN O=S(=O)(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000040152664 569493512 /nfs/dbraw/zinc/49/35/12/569493512.db2.gz BAJDVKVVNCQGFI-QFIPXVFZSA-N 0 0 445.924 4.384 50 0 IIAARN CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccs1 ZINC000040157310 569494281 /nfs/dbraw/zinc/49/42/81/569494281.db2.gz QNILLWMHJFZMFZ-APWZRJJASA-N 0 0 438.590 4.192 50 0 IIAARN Cc1c(CC(=O)Nc2nnc(SCc3ccccc3)s2)nnn1-c1ccc(C)cc1 ZINC000040158605 569494581 /nfs/dbraw/zinc/49/45/81/569494581.db2.gz ZZURHLORQRTVGB-UHFFFAOYSA-N 0 0 436.566 4.209 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000040159848 569494762 /nfs/dbraw/zinc/49/47/62/569494762.db2.gz WXEBXYLOWNUBNL-LJQANCHMSA-N 0 0 437.392 4.430 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)NCc4ccc(Cl)cc4)c(=O)c23)s1 ZINC000008988580 569494974 /nfs/dbraw/zinc/49/49/74/569494974.db2.gz KPQKQMOJKVDZCV-UHFFFAOYSA-N 0 0 429.954 4.465 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000040159942 569495061 /nfs/dbraw/zinc/49/50/61/569495061.db2.gz NXOYJIMZAWUEDM-KSSFIOAISA-N 0 0 435.387 4.178 50 0 IIAARN CN(C)c1cccc(C(=O)N2CCC(c3noc(-c4cc(-c5cccs5)[nH]n4)n3)CC2)c1 ZINC000244970284 569496657 /nfs/dbraw/zinc/49/66/57/569496657.db2.gz HRDZICIRYNRCHP-UHFFFAOYSA-N 0 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IIAARN COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000032949038 524570719 /nfs/dbraw/zinc/57/07/19/524570719.db2.gz CYBOFXXXVICYDK-IBGZPJMESA-N 0 0 434.492 4.408 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 ZINC000022503552 524579856 /nfs/dbraw/zinc/57/98/56/524579856.db2.gz RMJKUNBLTMWGSG-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1OC ZINC000035398270 524614364 /nfs/dbraw/zinc/61/43/64/524614364.db2.gz FKAFUJXQPWDESR-IBGZPJMESA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000022505053 524616482 /nfs/dbraw/zinc/61/64/82/524616482.db2.gz ZPDPLSJTOROZQS-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccccc2Cl)cs1 ZINC000015880739 524616501 /nfs/dbraw/zinc/61/65/01/524616501.db2.gz JCPROAQHIGBYBF-UHFFFAOYSA-N 0 0 430.917 4.308 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012554254 524637613 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C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000020212066 525006408 /nfs/dbraw/zinc/00/64/08/525006408.db2.gz CZJVBPDWRSUDJM-GOSISDBHSA-N 0 0 445.950 4.271 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002984672 525011238 /nfs/dbraw/zinc/01/12/38/525011238.db2.gz BQVABRCXJRUSLU-LJQANCHMSA-N 0 0 438.549 4.076 50 0 IIAARN Cc1ccccc1-c1nn2c(nc(CNC(=O)Nc3ccc(Cl)cc3)cc2=O)s1 ZINC000032995933 525015711 /nfs/dbraw/zinc/01/57/11/525015711.db2.gz PWBYCSCCBQSWAT-UHFFFAOYSA-N 0 0 425.901 4.102 50 0 IIAARN Cc1ccccc1-n1c(SCCCC(=O)c2ccc(F)cc2)nnc1N1CCOCC1 ZINC000012537133 525027616 /nfs/dbraw/zinc/02/76/16/525027616.db2.gz OBCXKQSQUQLKIX-UHFFFAOYSA-N 0 0 440.544 4.307 50 0 IIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1I ZINC000012798977 525039369 /nfs/dbraw/zinc/03/93/69/525039369.db2.gz PQJQRWVHGPXXHG-UHFFFAOYSA-N 0 0 439.278 4.282 50 0 IIAARN Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000012881751 525044493 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COc1ccc([C@H]2N=C(Nc3ccc(C(C)C)cc3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000009668709 525428990 /nfs/dbraw/zinc/42/89/90/525428990.db2.gz JNJKNSLRDIJWID-QFIPXVFZSA-N 0 0 433.512 4.133 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009236848 525433001 /nfs/dbraw/zinc/43/30/01/525433001.db2.gz BIDCRGJSUFAJCJ-SJORKVTESA-N 0 0 449.458 4.012 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C ZINC000012615439 525442161 /nfs/dbraw/zinc/44/21/61/525442161.db2.gz ZOHTYVYHPKLTOZ-AUUYWEPGSA-N 0 0 434.521 4.481 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cs2)cc1 ZINC000012778215 525446871 /nfs/dbraw/zinc/44/68/71/525446871.db2.gz KFYUOFXPVLLXFP-UHFFFAOYSA-N 0 0 436.942 4.340 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccc(F)c(Cl)c1)CC3 ZINC000020728401 525486618 /nfs/dbraw/zinc/48/66/18/525486618.db2.gz UZJAUMICBCIGMV-UHFFFAOYSA-N 0 0 429.879 4.273 50 0 IIAARN COc1ccc2[nH]cc(CCNc3ccc(S(=O)(=O)c4ccc(Cl)cc4)nn3)c2c1 ZINC000035424325 525494001 /nfs/dbraw/zinc/49/40/01/525494001.db2.gz MKFYUESXBQVBGQ-UHFFFAOYSA-N 0 0 442.928 4.107 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC000016962405 525497971 /nfs/dbraw/zinc/49/79/71/525497971.db2.gz KAKJBXZPNSXVTO-QGZVFWFLSA-N 0 0 440.487 4.235 50 0 IIAARN COc1ccc2c(c1)C(N1CCCN(C(C)=O)CC1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813315 525508648 /nfs/dbraw/zinc/50/86/48/525508648.db2.gz LFCVIDVTJDNUJT-UHFFFAOYSA-N 0 0 433.430 4.452 50 0 IIAARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cccc(I)c3)[C@@H]1CC2 ZINC000012379354 525508738 /nfs/dbraw/zinc/50/87/38/525508738.db2.gz HNYAYDDFAAGTEE-XLIONFOSSA-N 0 0 446.288 4.170 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000012880747 525520590 /nfs/dbraw/zinc/52/05/90/525520590.db2.gz LFKIZNYAGLVRAA-QFIPXVFZSA-N 0 0 447.000 4.317 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)c1ccccc1 ZINC000032987986 525552679 /nfs/dbraw/zinc/55/26/79/525552679.db2.gz 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COc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c(C)nc2c1 ZINC000012753455 525621617 /nfs/dbraw/zinc/62/16/17/525621617.db2.gz SWOCQOZCHZMLPU-UHFFFAOYSA-N 0 0 446.503 4.058 50 0 IIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)NCc3ccc(F)cc3)c2c1 ZINC000020940262 525631119 /nfs/dbraw/zinc/63/11/19/525631119.db2.gz WXZQYLHVLNMFIB-UHFFFAOYSA-N 0 0 445.494 4.078 50 0 IIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CN(Cc4ccc(F)cc4)C4CC4)C3=O)ccc2c1 ZINC000012799053 525642592 /nfs/dbraw/zinc/64/25/92/525642592.db2.gz WVWRTIFAWUBOML-SANMLTNESA-N 0 0 447.510 4.377 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C3=O ZINC000021855995 525643869 /nfs/dbraw/zinc/64/38/69/525643869.db2.gz VCPFDLIVXWOWKL-RUZDIDTESA-N 0 0 435.524 4.107 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(F)c1)C3=O ZINC000021857366 525644822 /nfs/dbraw/zinc/64/48/22/525644822.db2.gz MOTJVZPLCHNPHG-RUZDIDTESA-N 0 0 435.499 4.267 50 0 IIAARN COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)sc2c1 ZINC000016699418 525674228 /nfs/dbraw/zinc/67/42/28/525674228.db2.gz JPFZEFOPMSHXNA-UHFFFAOYSA-N 0 0 445.566 4.122 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3cccc(C)c3C)cc(=O)n2o1 ZINC000035378649 525674565 /nfs/dbraw/zinc/67/45/65/525674565.db2.gz ZWRRYVGUMWHDQE-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1cc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2cc1C ZINC000017025703 525676869 /nfs/dbraw/zinc/67/68/69/525676869.db2.gz DAEFHFLRCMIJSB-OAHLLOKOSA-N 0 0 435.596 4.157 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(C)ccc3C)n2)c1 ZINC000015670460 525718105 /nfs/dbraw/zinc/71/81/05/525718105.db2.gz SAOCYIXRFWUPSZ-HXUWFJFHSA-N 0 0 440.507 4.132 50 0 IIAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccco5)CC4)nccn3n2)c(C)c1 ZINC000033266559 525739193 /nfs/dbraw/zinc/73/91/93/525739193.db2.gz YRQBMDYLUUJNNQ-UHFFFAOYSA-N 0 0 429.524 4.139 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012681574 525765243 /nfs/dbraw/zinc/76/52/43/525765243.db2.gz DWPHCWJVEKUHKC-UHFFFAOYSA-N 0 0 425.920 4.220 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012902299 525767149 /nfs/dbraw/zinc/76/71/49/525767149.db2.gz GRAPCEOTQQINMZ-UHFFFAOYSA-N 0 0 428.747 4.142 50 0 IIAARN Cc1ccc(-c2csc3c2ncn(CC(=O)N2CCOc4ccc(C)cc42)c3=O)cc1 ZINC000035562105 525785407 /nfs/dbraw/zinc/78/54/07/525785407.db2.gz CLRBNIBMAILHNG-UHFFFAOYSA-N 0 0 431.517 4.167 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C[C@H]1CCCO1 ZINC000015677032 525796306 /nfs/dbraw/zinc/79/63/06/525796306.db2.gz KVDQWXLDAUPPFD-RLWLMLJZSA-N 0 0 437.584 4.264 50 0 IIAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)co2)c(C)c1 ZINC000012823604 525811081 /nfs/dbraw/zinc/81/10/81/525811081.db2.gz LKKVPBKTGMCGDS-UHFFFAOYSA-N 0 0 445.972 4.118 50 0 IIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C1=O ZINC000012632183 525828683 /nfs/dbraw/zinc/82/86/83/525828683.db2.gz KUEDNGZCYQSRQF-MHZLTWQESA-N 0 0 441.531 4.159 50 0 IIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4Cl)c3C)ns2)c1 ZINC000020597811 525837169 /nfs/dbraw/zinc/83/71/69/525837169.db2.gz DULWZUYIRWPMOK-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)ns2)c1 ZINC000020597816 525837198 /nfs/dbraw/zinc/83/71/98/525837198.db2.gz VWHLPTPTWKJHMR-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1C ZINC000012814610 525839833 /nfs/dbraw/zinc/83/98/33/525839833.db2.gz YIBPGGCTUBTUSY-UHFFFAOYSA-N 0 0 442.563 4.287 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000035963205 525859185 /nfs/dbraw/zinc/85/91/85/525859185.db2.gz HYTJNAWJIJMURW-NRFANRHFSA-N 0 0 442.947 4.076 50 0 IIAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022527237 525892263 /nfs/dbraw/zinc/89/22/63/525892263.db2.gz RLOQNSPGXKULDE-MRXNPFEDSA-N 0 0 439.471 4.185 50 0 IIAARN C[C@H](OC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(=O)Nc1ccccc1F ZINC000021543500 525893253 /nfs/dbraw/zinc/89/32/53/525893253.db2.gz YDSCOQVNGXHDHY-NYHFZMIOSA-N 0 0 433.435 4.464 50 0 IIAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000012555708 525897775 /nfs/dbraw/zinc/89/77/75/525897775.db2.gz AEMBTHAOAZUECG-UHFFFAOYSA-N 0 0 432.480 4.436 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccncc2)cc1C ZINC000024719854 525899436 /nfs/dbraw/zinc/89/94/36/525899436.db2.gz UVVOXNXWZHSGOM-UHFFFAOYSA-N 0 0 443.576 4.397 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3c2nc[nH]c3=O)cc1 ZINC000012462136 525899669 /nfs/dbraw/zinc/89/96/69/525899669.db2.gz GFPNGICCJQBMAU-UHFFFAOYSA-N 0 0 439.928 4.110 50 0 biogenic,in-vitro IIAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3c2nc[nH]c3=O)cc1 ZINC000012462114 525900354 /nfs/dbraw/zinc/90/03/54/525900354.db2.gz MOZIEAFAJGWQGJ-UHFFFAOYSA-N 0 0 439.928 4.110 50 0 biogenic,in-vitro IIAARN COc1cccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1OC ZINC000012771868 525916546 /nfs/dbraw/zinc/91/65/46/525916546.db2.gz XOBLCLWZQDCQQL-CYBMUJFWSA-N 0 0 425.510 4.455 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000021893739 525925103 /nfs/dbraw/zinc/92/51/03/525925103.db2.gz CKQXBWPNULBDKN-CQSZACIVSA-N 0 0 448.972 4.159 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@H](C(=O)Nc3cccc(F)c3)C1)nnc2C ZINC000020564798 525938889 /nfs/dbraw/zinc/93/88/89/525938889.db2.gz KAYHNRGMSAEYDL-SFHVURJKSA-N 0 0 444.514 4.427 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NC3CCC(C)CC3)CC1)nnc2C ZINC000020564116 525938983 /nfs/dbraw/zinc/93/89/83/525938983.db2.gz WMHIMYGGXLLECO-UHFFFAOYSA-N 0 0 446.599 4.344 50 0 IIAARN Cc1ccc([C@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N2CCOCC2)o1 ZINC000036393907 525956959 /nfs/dbraw/zinc/95/69/59/525956959.db2.gz SDOHFGWRWOPKDR-KRWDZBQOSA-N 0 0 447.894 4.147 50 0 IIAARN COc1cccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)c1 ZINC000033072850 525966145 /nfs/dbraw/zinc/96/61/45/525966145.db2.gz MBTFQKOSQUBKNE-UHFFFAOYSA-N 0 0 432.499 4.266 50 0 IIAARN Cc1c2ccccc2oc1C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 ZINC000012543507 525977253 /nfs/dbraw/zinc/97/72/53/525977253.db2.gz ZXMSBZQRRVTRQF-UHFFFAOYSA-N 0 0 448.548 4.442 50 0 IIAARN C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012804357 525999904 /nfs/dbraw/zinc/99/99/04/525999904.db2.gz LSLXVOYVEKBCGH-SNVBAGLBSA-N 0 0 428.461 4.475 50 0 IIAARN C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012776695 526001433 /nfs/dbraw/zinc/00/14/33/526001433.db2.gz JJZJPEBVYBXYCB-CQSZACIVSA-N 0 0 447.607 4.180 50 0 IIAARN COc1cccc(CNC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)c1OC ZINC000020979403 526002080 /nfs/dbraw/zinc/00/20/80/526002080.db2.gz OIAKOIQBNRIBES-UHFFFAOYSA-N 0 0 430.508 4.227 50 0 IIAARN Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2C)no1 ZINC000096925273 526069211 /nfs/dbraw/zinc/06/92/11/526069211.db2.gz BRTSLMMAZMVSMM-HJWRWDBZSA-N 0 0 438.572 4.045 50 0 IIAARN COc1cccc(C[C@]2(CCC(=O)NCc3cccc(C(F)(F)F)c3)CCC(=O)N2)c1 ZINC000012167823 526080103 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VTUZJHUNMAHUCH-QFIPXVFZSA-N 0 0 434.515 4.282 50 0 IIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000012568354 527056923 /nfs/dbraw/zinc/05/69/23/527056923.db2.gz MPKWKALJLWVJOI-UHFFFAOYSA-N 0 0 434.879 4.107 50 0 IIAARN O=C(N[C@H]1CCSc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000013113226 527063880 /nfs/dbraw/zinc/06/38/80/527063880.db2.gz LJVCQAWIUPZQOM-NRFANRHFSA-N 0 0 427.529 4.412 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000014250766 527079135 /nfs/dbraw/zinc/07/91/35/527079135.db2.gz SYKWKKQSFVOPDP-UHFFFAOYSA-N 0 0 440.500 4.279 50 0 IIAARN Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2sc3c(c2c1=O)CCCC3 ZINC000012312077 527080938 /nfs/dbraw/zinc/08/09/38/527080938.db2.gz XQCCQWDAYYTZCD-UHFFFAOYSA-N 0 0 443.638 4.051 50 0 IIAARN Cn1c(SCC(=O)NCC(F)(F)F)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000021276349 527082083 /nfs/dbraw/zinc/08/20/83/527082083.db2.gz RWOMSTQLYGUEQU-LBPRGKRZSA-N 0 0 446.564 4.465 50 0 IIAARN O=C(CSc1nnc(N2CCOCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000015829866 527086761 /nfs/dbraw/zinc/08/67/61/527086761.db2.gz GAUHUNPVQLPWOJ-UHFFFAOYSA-N 0 0 448.470 4.216 50 0 IIAARN O=C(CSc1nnc(NCc2ccco2)s1)N(Cc1ccccc1)CC(F)(F)F ZINC000017983800 527087402 /nfs/dbraw/zinc/08/74/02/527087402.db2.gz JMZJIAFUPRBBSX-UHFFFAOYSA-N 0 0 442.488 4.426 50 0 IIAARN O=C1Nc2ccccc2Oc2cc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)cc21 ZINC000035453932 527090910 /nfs/dbraw/zinc/09/09/10/527090910.db2.gz OLEOFAJEBLKFMW-UHFFFAOYSA-N 0 0 441.553 4.210 50 0 IIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc(Cl)cc2)OCC3(C)C)c(=O)n(C)c1=O ZINC000021176117 527091240 /nfs/dbraw/zinc/09/12/40/527091240.db2.gz BYDZBWUSKFBEKL-QFIPXVFZSA-N 0 0 449.938 4.214 50 0 IIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cccc(Cl)c2)OCC3(C)C)c(=O)n(C)c1=O ZINC000021176224 527091605 /nfs/dbraw/zinc/09/16/05/527091605.db2.gz AXPUOJHNXGSRIZ-QFIPXVFZSA-N 0 0 449.938 4.214 50 0 IIAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000032913645 527093386 /nfs/dbraw/zinc/09/33/86/527093386.db2.gz MVIABCYUVXXWGA-UHFFFAOYSA-N 0 0 447.564 4.137 50 0 IIAARN Cn1c2ccccc2c2c1SCC(=O)N(Cc1ccco1)[C@@H]2C(=O)NCc1ccccc1 ZINC000021911955 527110254 /nfs/dbraw/zinc/11/02/54/527110254.db2.gz UHBXONICVMFKAB-QHCPKHFHSA-N 0 0 445.544 4.263 50 0 IIAARN Cn1c2ccccc2c2c1SCC(=O)N(Cc1ccco1)[C@H]2C(=O)NCc1ccccc1 ZINC000021911950 527110902 /nfs/dbraw/zinc/11/09/02/527110902.db2.gz UHBXONICVMFKAB-HSZRJFAPSA-N 0 0 445.544 4.263 50 0 IIAARN Cc1nc2cc(OCc3cc(C(=O)N(C)CCc4nc5ccccc5[nH]4)no3)ccc2s1 ZINC000012300468 527131027 /nfs/dbraw/zinc/13/10/27/527131027.db2.gz YYEMRIZJXVCJJC-UHFFFAOYSA-N 0 0 447.520 4.363 50 0 IIAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1I ZINC000016474768 527138183 /nfs/dbraw/zinc/13/81/83/527138183.db2.gz KSCXPDAGPVNYCK-UHFFFAOYSA-N 0 0 440.244 4.253 50 0 IIAARN Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c2ccccc21 ZINC000021345373 527144435 /nfs/dbraw/zinc/14/44/35/527144435.db2.gz VBJKKTXWXPNQSI-LSCVHKIXSA-N 0 0 427.432 4.132 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000022732461 527161170 /nfs/dbraw/zinc/16/11/70/527161170.db2.gz CCQQNCGVDIQWNG-CYBMUJFWSA-N 0 0 432.489 4.339 50 0 IIAARN Cc1nc2ccccc2n1CCC(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000012132144 527165000 /nfs/dbraw/zinc/16/50/00/527165000.db2.gz GEFLORAHRFUSJR-HXUWFJFHSA-N 0 0 426.520 4.225 50 0 IIAARN O=S(=O)(CCNc1cccc2ccccc21)c1c(F)c(F)nc(N2CCCC2)c1F ZINC000024617047 527175503 /nfs/dbraw/zinc/17/55/03/527175503.db2.gz IWUAXEJSKIBYBQ-UHFFFAOYSA-N 0 0 435.471 4.138 50 0 IIAARN O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1N1CCCC1=O ZINC000012886248 527220128 /nfs/dbraw/zinc/22/01/28/527220128.db2.gz RSVJEVURYLTAKB-UHFFFAOYSA-N 0 0 440.668 4.324 50 0 IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1Oc1cccc(Br)c1 ZINC000032931356 527263593 /nfs/dbraw/zinc/26/35/93/527263593.db2.gz DAWDMDIRFPZUOD-UHFFFAOYSA-N 0 0 425.242 4.058 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000012361354 527269423 /nfs/dbraw/zinc/26/94/23/527269423.db2.gz SAFCASXBBPYYCG-IBGZPJMESA-N 0 0 435.318 4.184 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000020732015 527276211 /nfs/dbraw/zinc/27/62/11/527276211.db2.gz YQEWLEGTLIHYBA-FQEVSTJZSA-N 0 0 438.509 4.370 50 0 IIAARN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020487890 527284920 /nfs/dbraw/zinc/28/49/20/527284920.db2.gz XALFBTONORTTPS-UHFFFAOYSA-N 0 0 449.454 4.048 50 0 IIAARN O=S(=O)(c1ccccc1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000021780484 527287184 /nfs/dbraw/zinc/28/71/84/527287184.db2.gz MMJALQNGGNNSOS-UHFFFAOYSA-N 0 0 440.956 4.042 50 0 IIAARN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609863 527296143 /nfs/dbraw/zinc/29/61/43/527296143.db2.gz TVVACTMWXCXWCV-UHFFFAOYSA-N 0 0 426.513 4.159 50 0 IIAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCN(Cc2cccs2)CC1 ZINC000022466779 527356243 /nfs/dbraw/zinc/35/62/43/527356243.db2.gz QBZDAABKGMAKCS-UHFFFAOYSA-N 0 0 446.576 4.021 50 0 IIAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012237746 527399039 /nfs/dbraw/zinc/39/90/39/527399039.db2.gz XVNDVWGLXSVIPJ-UHFFFAOYSA-N 0 0 448.697 4.181 50 0 IIAARN O=C(Nc1ccccc1Br)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000035512639 527405892 /nfs/dbraw/zinc/40/58/92/527405892.db2.gz UIVPFVRMAAQCDQ-UHFFFAOYSA-N 0 0 438.329 4.260 50 0 IIAARN O=C(Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O)Nc1ccc(F)cc1 ZINC000020937229 527418489 /nfs/dbraw/zinc/41/84/89/527418489.db2.gz PGAOGNXSUGVEAC-UHFFFAOYSA-N 0 0 444.441 4.268 50 0 IIAARN O=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012516207 527427755 /nfs/dbraw/zinc/42/77/55/527427755.db2.gz GDHMTLPBFJWDAW-UHFFFAOYSA-N 0 0 425.492 4.023 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(Cl)cc1 ZINC000012547581 527463418 /nfs/dbraw/zinc/46/34/18/527463418.db2.gz FGQVPTUSURTJJB-HXUWFJFHSA-N 0 0 425.916 4.072 50 0 IIAARN O=c1c2sccc2n2c(SCc3cccc(Cl)c3)nnc2n1C[C@@H]1CCCO1 ZINC000035529743 527472697 /nfs/dbraw/zinc/47/26/97/527472697.db2.gz XPTJXZDMCRORDX-AWEZNQCLSA-N 0 0 432.958 4.230 50 0 IIAARN O=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000012739905 527476792 /nfs/dbraw/zinc/47/67/92/527476792.db2.gz AMGQQLGQFGCKIU-UHFFFAOYSA-N 0 0 436.320 4.235 50 0 IIAARN O=c1cc(CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)nc2ccccn12 ZINC000021726880 527480845 /nfs/dbraw/zinc/48/08/45/527480845.db2.gz YHIGGHIIWAWLQH-UHFFFAOYSA-N 0 0 436.500 4.245 50 0 IIAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012747199 527494600 /nfs/dbraw/zinc/49/46/00/527494600.db2.gz OVMJQTRWUNWUIS-UHFFFAOYSA-N 0 0 444.940 4.216 50 0 IIAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 ZINC000035480129 527513693 /nfs/dbraw/zinc/51/36/93/527513693.db2.gz XJQBIQNESLGMRB-UHFFFAOYSA-N 0 0 435.496 4.170 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCCN(C(=O)c4cccs4)CC3)c12 ZINC000036024875 527524192 /nfs/dbraw/zinc/52/41/92/527524192.db2.gz HYOTYLOKNARVRB-UHFFFAOYSA-N 0 0 446.580 4.155 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc12 ZINC000014728901 527529503 /nfs/dbraw/zinc/52/95/03/527529503.db2.gz QBHDLTIGMHLKLD-UHFFFAOYSA-N 0 0 437.500 4.018 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc12 ZINC000012805606 527529929 /nfs/dbraw/zinc/52/99/29/527529929.db2.gz PCDDEBUPXPSZIH-UHFFFAOYSA-N 0 0 444.532 4.227 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000012800259 527539678 /nfs/dbraw/zinc/53/96/78/527539678.db2.gz QUNKCKRTLBPYCF-UHFFFAOYSA-N 0 0 444.579 4.308 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012866449 527540088 /nfs/dbraw/zinc/54/00/88/527540088.db2.gz PCNDCENNIVZJHL-UHFFFAOYSA-N 0 0 445.350 4.184 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccccc1Br ZINC000012911020 527544037 /nfs/dbraw/zinc/54/40/37/527544037.db2.gz WBXKNKOVLRFHRQ-UHFFFAOYSA-N 0 0 427.346 4.322 50 0 IIAARN Nc1nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2sc3c(c21)CCCC3 ZINC000018270372 527552519 /nfs/dbraw/zinc/55/25/19/527552519.db2.gz MXYCDRACPCRWNA-UHFFFAOYSA-N 0 0 439.522 4.223 50 0 IIAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccccc1Br)SCC(=O)N2 ZINC000020891584 527569666 /nfs/dbraw/zinc/56/96/66/527569666.db2.gz YNLGODWIVDULKU-QGZVFWFLSA-N 0 0 444.358 4.125 50 0 IIAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(F)c(Br)c1)SCC(=O)N2 ZINC000020722045 527572329 /nfs/dbraw/zinc/57/23/29/527572329.db2.gz IJGBBOXBTRZMPP-OAHLLOKOSA-N 0 0 434.294 4.297 50 0 IIAARN O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1cc(Cl)ccc1N1CCCC1 ZINC000012522427 527612048 /nfs/dbraw/zinc/61/20/48/527612048.db2.gz MLERFGDIQFGMHR-IZZDOVSWSA-N 0 0 445.972 4.132 50 0 IIAARN O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2F)CC1 ZINC000035590809 527656094 /nfs/dbraw/zinc/65/60/94/527656094.db2.gz RUYULBHHSOTMCZ-XMMPIXPASA-N 0 0 434.555 4.157 50 0 IIAARN Cc1nn(C)cc1-c1csc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020616948 527688341 /nfs/dbraw/zinc/68/83/41/527688341.db2.gz UCEXEKMBBBPQPF-UHFFFAOYSA-N 0 0 426.449 4.071 50 0 IIAARN CC(C)c1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000004122762 535372930 /nfs/dbraw/zinc/37/29/30/535372930.db2.gz RYMYSTSDBJGSJY-UHFFFAOYSA-N 0 0 428.401 4.233 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000009504300 536191390 /nfs/dbraw/zinc/19/13/90/536191390.db2.gz QIRRKPJJWRLTKL-UHFFFAOYSA-N 0 0 443.547 4.229 50 0 IIAARN COC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000010059845 536514088 /nfs/dbraw/zinc/51/40/88/536514088.db2.gz UMGDDNVYSWCNDK-XVNBXDOJSA-N 0 0 435.307 4.269 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000009738583 537002005 /nfs/dbraw/zinc/00/20/05/537002005.db2.gz GMHGNUSKAZBLLM-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)c1Cl ZINC000009120298 555509285 /nfs/dbraw/zinc/50/92/85/555509285.db2.gz GXXNQZIMWJZBMT-HWKANZROSA-N 0 0 434.073 4.247 50 0 IIAARN COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000000630831 555514933 /nfs/dbraw/zinc/51/49/33/555514933.db2.gz WYURXELJKWCTIM-UHFFFAOYSA-N 0 0 430.913 4.079 50 0 aggregator IIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000000633498 555515791 /nfs/dbraw/zinc/51/57/91/555515791.db2.gz SKUAYCYLZBWDPX-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 IIAARN O=C(OC[C@@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000000638717 555517480 /nfs/dbraw/zinc/51/74/80/555517480.db2.gz OYTQFYBMBBVDPN-UTKZUKDTSA-N 0 0 433.291 4.315 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 ZINC000000641222 555518700 /nfs/dbraw/zinc/51/87/00/555518700.db2.gz IFGRCLOMSPQGNB-SFHVURJKSA-N 0 0 446.370 4.279 50 0 IIAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4cc(OC)ccc4OC)C3=O)sc2c1 ZINC000000642811 555519002 /nfs/dbraw/zinc/51/90/02/555519002.db2.gz JSAMORIAQNDZPL-SFHVURJKSA-N 0 0 444.534 4.136 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000648322 555521923 /nfs/dbraw/zinc/52/19/23/555521923.db2.gz PWADAOXLOBMJHB-UHFFFAOYSA-N 0 0 427.595 4.475 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C ZINC000000650754 555522590 /nfs/dbraw/zinc/52/25/90/555522590.db2.gz GRPSDOLCJLOUCK-UHFFFAOYSA-N 0 0 440.569 4.355 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000654190 555524402 /nfs/dbraw/zinc/52/44/02/555524402.db2.gz APCPSMYQBTYKND-QFIPXVFZSA-N 0 0 447.388 4.331 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000000669049 555530240 /nfs/dbraw/zinc/53/02/40/555530240.db2.gz MAIAZVDVDFDNIQ-VZUFXWRPSA-N 0 0 426.538 4.379 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000671413 555531259 /nfs/dbraw/zinc/53/12/59/555531259.db2.gz QYERRFPWZFCWTQ-CYBMUJFWSA-N 0 0 445.368 4.430 50 0 IIAARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(I)c1 ZINC000000678936 555536554 /nfs/dbraw/zinc/53/65/54/555536554.db2.gz OVIDPYOTHPCJHR-UHFFFAOYSA-N 0 0 434.661 4.211 50 0 IIAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000682931 555538153 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O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 ZINC000001161187 555661773 /nfs/dbraw/zinc/66/17/73/555661773.db2.gz KJQTWHXDZNGJHB-QHCPKHFHSA-N 0 0 436.305 4.457 50 0 IIAARN O=C(NC1CCCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000001165653 555663875 /nfs/dbraw/zinc/66/38/75/555663875.db2.gz MHWQJKBJGQZAAE-UHFFFAOYSA-N 0 0 443.407 4.076 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 ZINC000001166495 555664307 /nfs/dbraw/zinc/66/43/07/555664307.db2.gz WDSJMAFTKRHICF-QHCPKHFHSA-N 0 0 446.507 4.127 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 ZINC000001167632 555664931 /nfs/dbraw/zinc/66/49/31/555664931.db2.gz MULPCFAZFJFYIN-UHFFFAOYSA-N 0 0 449.488 4.319 50 0 IIAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(I)cc2Cl)c1 ZINC000001174077 555668593 /nfs/dbraw/zinc/66/85/93/555668593.db2.gz LNKTUDODFPRJBZ-UHFFFAOYSA-N 0 0 430.698 4.380 50 0 IIAARN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000001180441 555671485 /nfs/dbraw/zinc/67/14/85/555671485.db2.gz JZZXNVKUPNKOSH-UYRXBGFRSA-N 0 0 427.478 4.268 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000001191317 555675832 /nfs/dbraw/zinc/67/58/32/555675832.db2.gz VIPVIMLMBKIKRG-LJQANCHMSA-N 0 0 426.498 4.180 50 0 IIAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001201274 555678472 /nfs/dbraw/zinc/67/84/72/555678472.db2.gz ZUBAWOCQWOJMEI-UHFFFAOYSA-N 0 0 434.923 4.370 50 0 IIAARN COc1cc(C(=O)N/C(=C/c2ccc(C)o2)C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000001203093 555679375 /nfs/dbraw/zinc/67/93/75/555679375.db2.gz LREZWNUATLXPHS-XMHGGMMESA-N 0 0 436.464 4.023 50 0 IIAARN O=C(COc1ccc(Br)cc1)Nc1cccc(I)c1 ZINC000001215826 555683973 /nfs/dbraw/zinc/68/39/73/555683973.db2.gz GTRKPJDHOPBFJP-UHFFFAOYSA-N 0 0 432.055 4.071 50 0 IIAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)s1 ZINC000001274869 555688732 /nfs/dbraw/zinc/68/87/32/555688732.db2.gz CRWXHBSYMFRYNB-LJQANCHMSA-N 0 0 433.489 4.298 50 0 IIAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000001307594 555689711 /nfs/dbraw/zinc/68/97/11/555689711.db2.gz SDQRNMAXUUOXIU-JOCHJYFZSA-N 0 0 445.544 4.226 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC ZINC000001408136 555694067 /nfs/dbraw/zinc/69/40/67/555694067.db2.gz KEUPDABVBCJIPK-UHFFFAOYSA-N 0 0 432.505 4.374 50 0 IIAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c(OC(C)=O)c1 ZINC000001414176 555694940 /nfs/dbraw/zinc/69/49/40/555694940.db2.gz PVIZONKPGATWMF-IBGZPJMESA-N 0 0 431.286 4.081 50 0 IIAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2ccccc2Cl)c1 ZINC000001421185 555695377 /nfs/dbraw/zinc/69/53/77/555695377.db2.gz OKFFZOCFQFYODT-LJQANCHMSA-N 0 0 445.972 4.085 50 0 IIAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1cccs1)Nc1ccc(F)cc1 ZINC000001442576 555698146 /nfs/dbraw/zinc/69/81/46/555698146.db2.gz OJKIIKFPLFCKMW-HXUWFJFHSA-N 0 0 437.496 4.296 50 0 IIAARN COC(=O)c1ccc([C@H]2[C@H](Oc3ccc(OC)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001444371 555698355 /nfs/dbraw/zinc/69/83/55/555698355.db2.gz JPTMQBPNEPHVIH-GOTSBHOMSA-N 0 0 435.451 4.152 50 0 IIAARN COC(=O)c1ccc([C@H]2[C@@H](Oc3ccc(OC)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001444372 555698425 /nfs/dbraw/zinc/69/84/25/555698425.db2.gz JPTMQBPNEPHVIH-XZOQPEGZSA-N 0 0 435.451 4.152 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002079034 555736658 /nfs/dbraw/zinc/73/66/58/555736658.db2.gz VMHYPYGFOAEVFO-ZRDDSIGQSA-N 0 0 446.300 4.295 50 0 IIAARN Cc1ccc(F)c(S(=O)(=O)N2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000071890418 555744678 /nfs/dbraw/zinc/74/46/78/555744678.db2.gz JNGSNAQSFWMXFV-QGZVFWFLSA-N 0 0 445.491 4.282 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cc1F ZINC000071890429 555744743 /nfs/dbraw/zinc/74/47/43/555744743.db2.gz KSMSGHWVZFEDAH-SFHVURJKSA-N 0 0 445.491 4.282 50 0 IIAARN Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)Nc2c1cc(Br)cc2Br ZINC000002128770 555746266 /nfs/dbraw/zinc/74/62/66/555746266.db2.gz KDIWJQOVRFOCBO-QGZVFWFLSA-N 0 0 436.103 4.189 50 0 biogenic IIAARN CCCCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002140761 555748216 /nfs/dbraw/zinc/74/82/16/555748216.db2.gz REFLDEJUKIRPIF-CQSZACIVSA-N 0 0 439.375 4.097 50 0 IIAARN COCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002146053 555749038 /nfs/dbraw/zinc/74/90/38/555749038.db2.gz IRWBBLLROSZBBV-UHFFFAOYSA-N 0 0 448.951 4.233 50 0 IIAARN O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000002153048 555750012 /nfs/dbraw/zinc/75/00/12/555750012.db2.gz DKRPUSGGXFECLD-UHFFFAOYSA-N 0 0 448.465 4.367 50 0 IIAARN CSc1nc2ccc(NC(=O)CSc3nnc(-c4cccc(N)c4)n3C)cc2s1 ZINC000002189387 555756310 /nfs/dbraw/zinc/75/63/10/555756310.db2.gz VAQNVHOEXBNEQX-UHFFFAOYSA-N 0 0 442.595 4.127 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(C)cc2)cc1 ZINC000002213765 555758663 /nfs/dbraw/zinc/75/86/63/555758663.db2.gz YHRWTGIDHFWTCJ-UHFFFAOYSA-N 0 0 446.536 4.162 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 ZINC000002226081 555759918 /nfs/dbraw/zinc/75/99/18/555759918.db2.gz OMMQKYPLMLTBFB-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)s1 ZINC000002234926 555760552 /nfs/dbraw/zinc/76/05/52/555760552.db2.gz DDLXEZICAILHIF-SFHVURJKSA-N 0 0 437.452 4.192 50 0 IIAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCC3 ZINC000002275544 555764761 /nfs/dbraw/zinc/76/47/61/555764761.db2.gz FIKQKUKWXQLWHT-UHFFFAOYSA-N 0 0 426.567 4.484 50 0 IIAARN O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 ZINC000002290799 555765928 /nfs/dbraw/zinc/76/59/28/555765928.db2.gz QZKPLXSNDVTZQB-UHFFFAOYSA-N 0 0 448.523 4.361 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(OCc1ccc(F)cc1)C(F)(F)F ZINC000002322798 555768599 /nfs/dbraw/zinc/76/85/99/555768599.db2.gz WHFWRQHNSUDGLF-GOSISDBHSA-N 0 0 433.785 4.247 50 0 IIAARN CCCCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002344146 555770462 /nfs/dbraw/zinc/77/04/62/555770462.db2.gz XXQLJTXYASLRMK-UHFFFAOYSA-N 0 0 433.512 4.093 50 0 IIAARN CCCCCNC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc21 ZINC000002348439 555770816 /nfs/dbraw/zinc/77/08/16/555770816.db2.gz NTEXMFCTGROMSE-UHFFFAOYSA-N 0 0 433.512 4.093 50 0 IIAARN CCCCc1ccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002349737 555771075 /nfs/dbraw/zinc/77/10/75/555771075.db2.gz SYYCRTBUJGJWMN-LJQANCHMSA-N 0 0 443.551 4.407 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3N)ccc21 ZINC000002388395 555774953 /nfs/dbraw/zinc/77/49/53/555774953.db2.gz IJUPJSSWLFCTPZ-UHFFFAOYSA-N 0 0 432.509 4.111 50 0 IIAARN COc1ccc(N2C(=O)C[C@@H](Sc3nc4c(c(-c5ccccc5)n3)CCCC4)C2=O)cc1 ZINC000002399890 555775896 /nfs/dbraw/zinc/77/58/96/555775896.db2.gz SVNXTYQTXYQNSG-OAQYLSRUSA-N 0 0 445.544 4.455 50 0 IIAARN CCc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002410868 555776665 /nfs/dbraw/zinc/77/66/65/555776665.db2.gz HCOBMDZENWSJOF-UHFFFAOYSA-N 0 0 431.540 4.263 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccccc1Cl ZINC000002437361 555779100 /nfs/dbraw/zinc/77/91/00/555779100.db2.gz BMHIVPBKAMNYNW-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002447820 555780856 /nfs/dbraw/zinc/78/08/56/555780856.db2.gz HOPKASHRJFUEFB-UHFFFAOYSA-N 0 0 426.523 4.387 50 0 IIAARN CC(C)Oc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000002533325 555786165 /nfs/dbraw/zinc/78/61/65/555786165.db2.gz BRBWNYACXOWVCA-YVLHZVERSA-N 0 0 432.332 4.460 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002542293 555786770 /nfs/dbraw/zinc/78/67/70/555786770.db2.gz KKZSZBBAUXEDID-FGZHOGPDSA-N 0 0 442.500 4.339 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(OC)c1 ZINC000002698155 555799949 /nfs/dbraw/zinc/79/99/49/555799949.db2.gz FOMHZUSUQSYFLM-INIZCTEOSA-N 0 0 426.416 4.164 50 0 IIAARN O=C(CF)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002706941 555800788 /nfs/dbraw/zinc/80/07/88/555800788.db2.gz JCCHHXIRSXXUMO-VIFPVBQESA-N 0 0 427.543 4.062 50 0 IIAARN CC(=O)c1c(C)nn(C[C@@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000002709675 555801090 /nfs/dbraw/zinc/80/10/90/555801090.db2.gz MDSJCLMJGIXBMR-HXUWFJFHSA-N 0 0 426.900 4.027 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=S)NC(C)(C)C)CC2 ZINC000002718112 555802120 /nfs/dbraw/zinc/80/21/20/555802120.db2.gz ZYTXMSVORNSQSM-LJQANCHMSA-N 0 0 432.561 4.494 50 0 IIAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)CC2)nc1)c1ccc(F)cc1 ZINC000034681667 555815015 /nfs/dbraw/zinc/81/50/15/555815015.db2.gz BNZLKBHZAGOARO-UHFFFAOYSA-N 0 0 440.469 4.464 50 0 IIAARN CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C)C3)n21 ZINC000034706682 555821822 /nfs/dbraw/zinc/82/18/22/555821822.db2.gz RAQKKUNYYBDWEC-GOSISDBHSA-N 0 0 444.539 4.248 50 0 IIAARN CCNC(=O)COc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708162 555822364 /nfs/dbraw/zinc/82/23/64/555822364.db2.gz LWEICSIHZLPAKO-SANMLTNESA-N 0 0 428.532 4.298 50 0 IIAARN CCNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708163 555822440 /nfs/dbraw/zinc/82/24/40/555822440.db2.gz LWEICSIHZLPAKO-AREMUKBSSA-N 0 0 428.532 4.298 50 0 IIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000002817197 555828807 /nfs/dbraw/zinc/82/88/07/555828807.db2.gz MVXPQAYHGAIRKM-UHFFFAOYSA-N 0 0 446.638 4.449 50 0 IIAARN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002845624 555837311 /nfs/dbraw/zinc/83/73/11/555837311.db2.gz UMUZPJQQSXUWEG-UHFFFAOYSA-N 0 0 428.476 4.211 50 0 IIAARN O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1ccco1 ZINC000002850326 555838975 /nfs/dbraw/zinc/83/89/75/555838975.db2.gz ZDCMCMXMZNAAIC-UHFFFAOYSA-N 0 0 440.184 4.030 50 0 IIAARN COc1ccc(CCNC(=S)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC ZINC000002857727 555842775 /nfs/dbraw/zinc/84/27/75/555842775.db2.gz NRANITYDIXFTGW-UHFFFAOYSA-N 0 0 449.576 4.163 50 0 IIAARN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc2c(c1)OCO2 ZINC000002859690 555843870 /nfs/dbraw/zinc/84/38/70/555843870.db2.gz ITNYGTDZAKDRMS-UHFFFAOYSA-N 0 0 444.468 4.316 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000002870220 555849354 /nfs/dbraw/zinc/84/93/54/555849354.db2.gz XFKBWUCZMFILGM-UHFFFAOYSA-N 0 0 434.477 4.045 50 0 IIAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002875196 555851747 /nfs/dbraw/zinc/85/17/47/555851747.db2.gz IXJSHJKVGMGOEL-UHFFFAOYSA-N 0 0 442.965 4.136 50 0 IIAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)Nc1ccccc1 ZINC000002879187 555853904 /nfs/dbraw/zinc/85/39/04/555853904.db2.gz NFIWQUPVQIMGIU-UHFFFAOYSA-N 0 0 437.546 4.319 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)c(C(=O)OCC)c1C ZINC000002879106 555853964 /nfs/dbraw/zinc/85/39/64/555853964.db2.gz HKDNTFKBSQCNFW-UHFFFAOYSA-N 0 0 425.503 4.280 50 0 IIAARN O=C(Cc1c(Cl)cccc1Cl)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000034721503 555860615 /nfs/dbraw/zinc/86/06/15/555860615.db2.gz KWBZFFUFXNHGET-GZTJUZNOSA-N 0 0 435.332 4.389 50 0 IIAARN CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000002967500 555868636 /nfs/dbraw/zinc/86/86/36/555868636.db2.gz WUUMRXLAYWDUKN-BAWWGMJKSA-N 0 0 437.495 4.434 50 0 IIAARN Cc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000002978891 555870941 /nfs/dbraw/zinc/87/09/41/555870941.db2.gz CEJAYISCBVSZBG-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN COc1ccc(OC)c(-c2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C)c1 ZINC000002982383 555872815 /nfs/dbraw/zinc/87/28/15/555872815.db2.gz CSLMAOGNSJGVMG-UHFFFAOYSA-N 0 0 444.509 4.414 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000002993179 555875419 /nfs/dbraw/zinc/87/54/19/555875419.db2.gz QEPXWVGCHUHTJI-UHFFFAOYSA-N 0 0 437.732 4.060 50 0 IIAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002999244 555877299 /nfs/dbraw/zinc/87/72/99/555877299.db2.gz NBHGVGVUHJZKFR-UHFFFAOYSA-N 0 0 431.316 4.172 50 0 IIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1 ZINC000003005587 555878499 /nfs/dbraw/zinc/87/84/99/555878499.db2.gz IHHUGWSVMCZUDS-UHFFFAOYSA-N 0 0 430.545 4.023 50 0 IIAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000003118623 555888759 /nfs/dbraw/zinc/88/87/59/555888759.db2.gz MACCDEOSKZZKEW-AWEZNQCLSA-N 0 0 426.797 4.374 50 0 IIAARN CN(C)C(=O)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003130754 555890188 /nfs/dbraw/zinc/89/01/88/555890188.db2.gz LAEARUPEIPEWQE-VIFPVBQESA-N 0 0 438.595 4.247 50 0 IIAARN CN(C)C(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003130762 555890195 /nfs/dbraw/zinc/89/01/95/555890195.db2.gz ROLHJKDTIPXOFL-VIFPVBQESA-N 0 0 438.595 4.247 50 0 IIAARN CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000003146515 555892055 /nfs/dbraw/zinc/89/20/55/555892055.db2.gz RNDYUNJKXTUNEG-NRFANRHFSA-N 0 0 431.492 4.095 50 0 IIAARN O=C(Nc1c(Br)cc(Br)cc1Br)C(F)(F)F ZINC000003161528 555893019 /nfs/dbraw/zinc/89/30/19/555893019.db2.gz HCNHDJYUGIMFEV-UHFFFAOYSA-N 0 0 425.824 4.475 50 0 IIAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000034782356 555894905 /nfs/dbraw/zinc/89/49/05/555894905.db2.gz VKSXLKDGLSBVKT-UHFFFAOYSA-N 0 0 428.529 4.489 50 0 IIAARN Cc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(Cc1ccc3c(c1)OCO3)CC2 ZINC000034755789 555901181 /nfs/dbraw/zinc/90/11/81/555901181.db2.gz PLQHRXJMTADHNY-UHFFFAOYSA-N 0 0 444.535 4.465 50 0 IIAARN COc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(C(=O)c1ccccc1F)CC2 ZINC000034757689 555902312 /nfs/dbraw/zinc/90/23/12/555902312.db2.gz MGJKZMGYEXHJTL-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cn3cc(-c4ccc(F)c(C)c4)ccc3n2)CC1 ZINC000034831112 555912322 /nfs/dbraw/zinc/91/23/22/555912322.db2.gz HWQXCKYOAVVGNQ-UHFFFAOYSA-N 0 0 444.510 4.420 50 0 IIAARN CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034905087 555919395 /nfs/dbraw/zinc/91/93/95/555919395.db2.gz PUAHBUYSBFWADT-RTBURBONSA-N 0 0 429.586 4.460 50 0 IIAARN O=C(N[C@H]1CCCC[C@H]1NC(=O)C1CCCC1)c1csc(COc2ccccc2)n1 ZINC000034905144 555919506 /nfs/dbraw/zinc/91/95/06/555919506.db2.gz GGQQPUQKHDRLCJ-MOPGFXCFSA-N 0 0 427.570 4.070 50 0 IIAARN CCC(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034905593 555920103 /nfs/dbraw/zinc/92/01/03/555920103.db2.gz CXSUQJWAGHXPNW-UHFFFAOYSA-N 0 0 429.586 4.413 50 0 IIAARN CC(C)n1c2ccccc2nc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034907238 555920986 /nfs/dbraw/zinc/92/09/86/555920986.db2.gz XETLEXDHTCHMLK-UHFFFAOYSA-N 0 0 432.977 4.218 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn3c(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)C1 ZINC000034898699 555928303 /nfs/dbraw/zinc/92/83/03/555928303.db2.gz JWNQEFCXKHWDKH-SJORKVTESA-N 0 0 449.473 4.047 50 0 IIAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000034902715 555929609 /nfs/dbraw/zinc/92/96/09/555929609.db2.gz STKJJDIAFHEDPO-UHFFFAOYSA-N 0 0 433.531 4.486 50 0 IIAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000003656128 555944346 /nfs/dbraw/zinc/94/43/46/555944346.db2.gz KWWJREOFIOMAGP-JOCHJYFZSA-N 0 0 445.402 4.112 50 0 IIAARN COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000003670221 555945739 /nfs/dbraw/zinc/94/57/39/555945739.db2.gz RZMJSCGYOYAVNT-HFJWLAOPSA-N 0 0 445.519 4.030 50 0 IIAARN CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000004065398 555957503 /nfs/dbraw/zinc/95/75/03/555957503.db2.gz TUEPIEKUVRHOCW-NSHDSACASA-N 0 0 433.160 4.362 50 0 IIAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004174075 555972644 /nfs/dbraw/zinc/97/26/44/555972644.db2.gz FHWBLNIJWAGGAK-NRFANRHFSA-N 0 0 426.538 4.190 50 0 IIAARN COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(SCc3ccccc3Cl)nn21 ZINC000004176661 555973423 /nfs/dbraw/zinc/97/34/23/555973423.db2.gz MDTYPKAWDRPKQW-GOSISDBHSA-N 0 0 441.944 4.007 50 0 IIAARN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@H](C)C3)cc2c1 ZINC000006198237 556080211 /nfs/dbraw/zinc/08/02/11/556080211.db2.gz BXPZLOIJWAAZLC-GAJHUEQPSA-N 0 0 434.588 4.404 50 0 IIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)c2)cc1 ZINC000002689368 556119741 /nfs/dbraw/zinc/11/97/41/556119741.db2.gz MDHBABUUKLPDRG-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(OC)cc3)N2C1=O ZINC000002702676 556122639 /nfs/dbraw/zinc/12/26/39/556122639.db2.gz RHVLSJKVGXEHPG-TZIWHRDSSA-N 0 0 436.533 4.477 50 0 IIAARN C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002711463 556125058 /nfs/dbraw/zinc/12/50/58/556125058.db2.gz DDISLLKXRNTAQB-CYBMUJFWSA-N 0 0 425.373 4.304 50 0 IIAARN C[C@H](SC1=NCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002711462 556125072 /nfs/dbraw/zinc/12/50/72/556125072.db2.gz DDISLLKXRNTAQB-ZDUSSCGKSA-N 0 0 425.373 4.304 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000002723857 556129238 /nfs/dbraw/zinc/12/92/38/556129238.db2.gz NMADRFXPLLYZFF-UHFFFAOYSA-N 0 0 430.338 4.106 50 0 IIAARN Cn1cc(Br)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)n1 ZINC000002786191 556138536 /nfs/dbraw/zinc/13/85/36/556138536.db2.gz DATARKPEVWMNGX-UHFFFAOYSA-N 0 0 429.246 4.160 50 0 IIAARN Cn1c(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)nc2ccccc21 ZINC000002778383 556141092 /nfs/dbraw/zinc/14/10/92/556141092.db2.gz KYLWIARGYOGTTF-UHFFFAOYSA-N 0 0 426.358 4.147 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)c1ccn(COc3ccccc3F)n1)CCCCCC2 ZINC000002798384 556141846 /nfs/dbraw/zinc/14/18/46/556141846.db2.gz ZJQAHAKRMWBCRL-UHFFFAOYSA-N 0 0 442.516 4.130 50 0 IIAARN S=C(Nc1cnn(Cn2cc(NC(=S)Nc3ccccc3)cn2)c1)Nc1ccccc1 ZINC000002799184 556142063 /nfs/dbraw/zinc/14/20/63/556142063.db2.gz IVJXUQQDOARWFS-UHFFFAOYSA-N 0 0 448.581 4.203 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(/Cl)c1ccc(Br)cc1 ZINC000097399302 556155176 /nfs/dbraw/zinc/15/51/76/556155176.db2.gz RXHVNJHUMDWFRZ-OQLLNIDSSA-N 0 0 440.721 4.142 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1 ZINC000003012990 556155734 /nfs/dbraw/zinc/15/57/34/556155734.db2.gz LGYRPKUGJMDFMO-PBHICJAKSA-N 0 0 436.390 4.406 50 0 IIAARN COC(=O)N[C@@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003012386 556155856 /nfs/dbraw/zinc/15/58/56/556155856.db2.gz DRWNHLIQGXLAGV-MRVPVSSYSA-N 0 0 425.552 4.332 50 0 IIAARN CSc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015435 556158285 /nfs/dbraw/zinc/15/82/85/556158285.db2.gz SJFJEAOBNCSMRJ-UHFFFAOYSA-N 0 0 435.549 4.197 50 0 IIAARN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000008400777 556166264 /nfs/dbraw/zinc/16/62/64/556166264.db2.gz OCGKBLFHKYCDDK-HZHRSRAPSA-N 0 0 441.487 4.105 50 0 IIAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000008414480 556167399 /nfs/dbraw/zinc/16/73/99/556167399.db2.gz PKRVYQHDYRLGPP-NDENLUEZSA-N 0 0 434.517 4.181 50 0 IIAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 ZINC000008431465 556171123 /nfs/dbraw/zinc/17/11/23/556171123.db2.gz RXKBBWPRFAHVND-JOCHJYFZSA-N 0 0 430.533 4.092 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000008441866 556176789 /nfs/dbraw/zinc/17/67/89/556176789.db2.gz PVEJGMZKFRFQBK-UHFFFAOYSA-N 0 0 444.940 4.470 50 0 IIAARN CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1cccc(Cl)c1 ZINC000008595852 556190564 /nfs/dbraw/zinc/19/05/64/556190564.db2.gz FRNDDJNUOLANKB-UHFFFAOYSA-N 0 0 440.862 4.287 50 0 IIAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000008609567 556191857 /nfs/dbraw/zinc/19/18/57/556191857.db2.gz SEDQVDZKCTZKHU-GOSISDBHSA-N 0 0 449.503 4.489 50 0 IIAARN Cc1cc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)nn1-c1ccccc1 ZINC000008618219 556193350 /nfs/dbraw/zinc/19/33/50/556193350.db2.gz MANCXBBGLSGFHZ-UHFFFAOYSA-N 0 0 426.923 4.368 50 0 IIAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NC12CC3CC(CC(C3)C1)C2 ZINC000008640483 556195379 /nfs/dbraw/zinc/19/53/79/556195379.db2.gz FVKZHENCNCIZSR-UHFFFAOYSA-N 0 0 429.611 4.041 50 0 IIAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000008744690 556208483 /nfs/dbraw/zinc/20/84/83/556208483.db2.gz CYEXWCDHRUWADI-UHFFFAOYSA-N 0 0 434.565 4.024 50 0 IIAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2n1 ZINC000008746487 556209630 /nfs/dbraw/zinc/20/96/30/556209630.db2.gz CJSYZOYFJFVRKX-MRXNPFEDSA-N 0 0 445.548 4.231 50 0 IIAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1C2 ZINC000008770462 556213315 /nfs/dbraw/zinc/21/33/15/556213315.db2.gz OFQNXUJLYBYPJV-NRFANRHFSA-N 0 0 430.529 4.429 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008843523 556226455 /nfs/dbraw/zinc/22/64/55/556226455.db2.gz GWWPFBKQWAKMDC-SFHVURJKSA-N 0 0 429.402 4.233 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccco1 ZINC000008921097 556233470 /nfs/dbraw/zinc/23/34/70/556233470.db2.gz MFPQEBQSFTXFJA-JOCHJYFZSA-N 0 0 440.293 4.092 50 0 IIAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000008952381 556236173 /nfs/dbraw/zinc/23/61/73/556236173.db2.gz OBPUFSKEVDUOFM-UHFFFAOYSA-N 0 0 443.838 4.254 50 0 IIAARN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 ZINC000008971796 556237634 /nfs/dbraw/zinc/23/76/34/556237634.db2.gz VRJRPUKSXALTAH-AUUYWEPGSA-N 0 0 429.900 4.016 50 0 IIAARN COc1ccccc1C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000097546834 556247505 /nfs/dbraw/zinc/24/75/05/556247505.db2.gz NFSDPKKDKLLNMX-CJFMBICVSA-N 0 0 449.620 4.434 50 0 IIAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000009186980 556250824 /nfs/dbraw/zinc/25/08/24/556250824.db2.gz WRUSXEHCZNQAGN-AREMUKBSSA-N 0 0 429.472 4.040 50 0 IIAARN COc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189611 556252604 /nfs/dbraw/zinc/25/26/04/556252604.db2.gz VGTRDOXSLOFWDN-LJQANCHMSA-N 0 0 435.553 4.313 50 0 biogenic IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197250 556255256 /nfs/dbraw/zinc/25/52/56/556255256.db2.gz VPPFMRMTXGWMNP-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009197655 556255812 /nfs/dbraw/zinc/25/58/12/556255812.db2.gz AKPHMHCTNIWREC-SFTDATJTSA-N 0 0 437.569 4.254 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1Cl ZINC000009199507 556257009 /nfs/dbraw/zinc/25/70/09/556257009.db2.gz ZNDQOQXMRMJEJY-GFCCVEGCSA-N 0 0 430.892 4.412 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3CC)C2)s1 ZINC000009199804 556257370 /nfs/dbraw/zinc/25/73/70/556257370.db2.gz JSHZUPRSXNGOEC-INIZCTEOSA-N 0 0 436.537 4.272 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccc(F)cc4)cc3)C2)cc1 ZINC000009231937 556261291 /nfs/dbraw/zinc/26/12/91/556261291.db2.gz BKFXDWBIKBLDPP-FQEVSTJZSA-N 0 0 448.494 4.083 50 0 IIAARN CCOc1c(C=C2SC(=O)N(CC(=O)c3ccc(OC)cc3)C2=O)cccc1OC ZINC000009233583 556262418 /nfs/dbraw/zinc/26/24/18/556262418.db2.gz VXIYVPHZLBZYDT-XDHOZWIPSA-N 0 0 427.478 4.022 50 0 IIAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000009234430 556263103 /nfs/dbraw/zinc/26/31/03/556263103.db2.gz FXKIUZXGIYTLFY-SFHVURJKSA-N 0 0 447.922 4.262 50 0 IIAARN COc1cccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)c1 ZINC000009288055 556272507 /nfs/dbraw/zinc/27/25/07/556272507.db2.gz KCQHYTNYXASVRH-QHCPKHFHSA-N 0 0 443.503 4.370 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)c1 ZINC000009288049 556272603 /nfs/dbraw/zinc/27/26/03/556272603.db2.gz KAAHCBOQXOIXAD-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(OCC)c2)cc1OC ZINC000009291143 556274258 /nfs/dbraw/zinc/27/42/58/556274258.db2.gz RUWHYVOWURGBQO-UHFFFAOYSA-N 0 0 429.542 4.349 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCc4ccc(F)cc4)c(C)c13)CCC(C)(C)O2 ZINC000013684037 556275261 /nfs/dbraw/zinc/27/52/61/556275261.db2.gz SLAINVMKMMGPKF-UHFFFAOYSA-N 0 0 439.483 4.212 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(C)c1 ZINC000009308100 556277870 /nfs/dbraw/zinc/27/78/70/556277870.db2.gz KTCZCXTVHVKOQF-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1cccc(Cl)c1 ZINC000009309016 556278227 /nfs/dbraw/zinc/27/82/27/556278227.db2.gz GLXBZXMCSJLIQF-UHFFFAOYSA-N 0 0 435.940 4.391 50 0 IIAARN CC(C)Cc1cc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)n[nH]1 ZINC000013690370 556279754 /nfs/dbraw/zinc/27/97/54/556279754.db2.gz AOJNKGXECSBUMB-UHFFFAOYSA-N 0 0 433.335 4.116 50 0 IIAARN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000032731531 556283593 /nfs/dbraw/zinc/28/35/93/556283593.db2.gz DVZGDKYSQKIEKW-UHFFFAOYSA-N 0 0 430.595 4.015 50 0 IIAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCCCC1 ZINC000009344602 556283762 /nfs/dbraw/zinc/28/37/62/556283762.db2.gz KBXGGKPRUFMNPN-UHFFFAOYSA-N 0 0 432.542 4.033 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000013718594 556288257 /nfs/dbraw/zinc/28/82/57/556288257.db2.gz JSQHFFVEMPXFKQ-UHFFFAOYSA-N 0 0 443.503 4.410 50 0 IIAARN Cc1oc2cc3oc(=O)c(CC(=O)N4CCN(C)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000013719292 556288629 /nfs/dbraw/zinc/28/86/29/556288629.db2.gz WYYHLSZNDJBACD-UHFFFAOYSA-N 0 0 430.504 4.140 50 0 IIAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000009411299 556288688 /nfs/dbraw/zinc/28/86/88/556288688.db2.gz VRIMMXRSCOOCNE-HSZRJFAPSA-N 0 0 446.507 4.127 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1C[C@H](c1ccco1)N1CCCC1 ZINC000009418909 556289174 /nfs/dbraw/zinc/28/91/74/556289174.db2.gz NTSXTJZIJLFBGY-AUSIDOKSSA-N 0 0 441.487 4.163 50 0 IIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000009425855 556289979 /nfs/dbraw/zinc/28/99/79/556289979.db2.gz HKCBATGJTRCHBS-UYTMDOHCSA-N 0 0 437.495 4.218 50 0 IIAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000009499484 556295416 /nfs/dbraw/zinc/29/54/16/556295416.db2.gz ZQDNFJRENUDZEV-UHFFFAOYSA-N 0 0 445.471 4.359 50 0 IIAARN O=C1NC(=S)N=C2OC3=NC(=S)NC(=O)C3C(c3ccc(Br)cc3)C12 ZINC000013749971 556298774 /nfs/dbraw/zinc/29/87/74/556298774.db2.gz ZTAHCRBSESSJBQ-UHFFFAOYSA-N 0 0 437.300 4.051 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)COCc1nc2ccccc2s1 ZINC000032740807 556302151 /nfs/dbraw/zinc/30/21/51/556302151.db2.gz ONHCNAAAAXCEDY-UHFFFAOYSA-N 0 0 445.957 4.385 50 0 IIAARN Cc1cccc(Cc2c(C)nc3nc(SCC(=O)N4C[C@H](C)C[C@H](C)C4)nn3c2C)c1 ZINC000009673011 556305554 /nfs/dbraw/zinc/30/55/54/556305554.db2.gz JTKOHTAEGKNBFB-CALCHBBNSA-N 0 0 437.613 4.237 50 0 IIAARN COc1ccc(/C=C/C(=O)NCCCCCCNC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000009678923 556305908 /nfs/dbraw/zinc/30/59/08/556305908.db2.gz SLRFOLDXPBJYDG-JYFOCSDGSA-N 0 0 436.552 4.223 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2cccnc2)cc1 ZINC000009679606 556306131 /nfs/dbraw/zinc/30/61/31/556306131.db2.gz NXDNSSVDSBKENF-NRFANRHFSA-N 0 0 430.489 4.460 50 0 IIAARN CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013806385 556311251 /nfs/dbraw/zinc/31/12/51/556311251.db2.gz OOYLMUBMEIVAJT-QHCPKHFHSA-N 0 0 447.560 4.135 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000009933967 556317328 /nfs/dbraw/zinc/31/73/28/556317328.db2.gz 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O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000032760597 556320823 /nfs/dbraw/zinc/32/08/23/556320823.db2.gz GSVZTVNZJYVIFK-HNNXBMFYSA-N 0 0 427.599 4.138 50 0 IIAARN CC(C)NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013880760 556325972 /nfs/dbraw/zinc/32/59/72/556325972.db2.gz ZEBZZAIMRZGFBT-UHFFFAOYSA-N 0 0 449.787 4.362 50 0 IIAARN O=c1oc2ccccc2n1CCSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000032777006 556327304 /nfs/dbraw/zinc/32/73/04/556327304.db2.gz HARZVDAXYZLHFQ-UHFFFAOYSA-N 0 0 433.468 4.169 50 0 IIAARN CCN(CC)c1nc(Nc2ccc(OC)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000013898025 556330163 /nfs/dbraw/zinc/33/01/63/556330163.db2.gz JTWYVFHRQJOGKG-UHFFFAOYSA-N 0 0 439.360 4.342 50 0 IIAARN CCN(CC)C(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000013898918 556330910 /nfs/dbraw/zinc/33/09/10/556330910.db2.gz FDUYJRISODALAJ-UHFFFAOYSA-N 0 0 443.396 4.361 50 0 IIAARN O=C(NCc1cccnc1-n1ccnc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000032778139 556331649 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556362493 /nfs/dbraw/zinc/36/24/93/556362493.db2.gz VCAFVNINAVEQQW-AWEZNQCLSA-N 0 0 430.936 4.220 50 0 IIAARN O=C(NCc1ccccc1F)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014085414 556364805 /nfs/dbraw/zinc/36/48/05/556364805.db2.gz JKTYGMAMPUUCRZ-UHFFFAOYSA-N 0 0 430.833 4.315 50 0 IIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014093422 556366210 /nfs/dbraw/zinc/36/62/10/556366210.db2.gz OMXIIKQEHSHWGR-QFIPXVFZSA-N 0 0 445.416 4.493 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000014094075 556366215 /nfs/dbraw/zinc/36/62/15/556366215.db2.gz PWUVBXRRHIHOGT-QHCPKHFHSA-N 0 0 431.492 4.154 50 0 IIAARN COc1ccc2c(c1)c(CC(=O)Nc1ccn(C)n1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000014124791 556373148 /nfs/dbraw/zinc/37/31/48/556373148.db2.gz FPSDQABDFXWGAU-UHFFFAOYSA-N 0 0 436.899 4.215 50 0 IIAARN C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000014129556 556374578 /nfs/dbraw/zinc/37/45/78/556374578.db2.gz VHYIBWMYDXSFCN-LJQANCHMSA-N 0 0 447.608 4.142 50 0 IIAARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011932674 556376579 /nfs/dbraw/zinc/37/65/79/556376579.db2.gz WEAZUXYBEVNMAP-KRWDZBQOSA-N 0 0 426.488 4.192 50 0 IIAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000014141550 556376780 /nfs/dbraw/zinc/37/67/80/556376780.db2.gz CDNDXSXRUVAAOD-OAHLLOKOSA-N 0 0 441.915 4.365 50 0 IIAARN Cc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000011933533 556376914 /nfs/dbraw/zinc/37/69/14/556376914.db2.gz BOLUKGNEPFGWGK-UHFFFAOYSA-N 0 0 446.551 4.005 50 0 IIAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000011933845 556377228 /nfs/dbraw/zinc/37/72/28/556377228.db2.gz WHGOSAFQTSJLLU-UHFFFAOYSA-N 0 0 425.920 4.152 50 0 IIAARN O=C(Cn1cc(Br)ccc1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000014142409 556377488 /nfs/dbraw/zinc/37/74/88/556377488.db2.gz BTPZKNOFDDGJTD-AWEZNQCLSA-N 0 0 448.367 4.112 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cc(Cl)ccc2C)cc1 ZINC000014166406 556379788 /nfs/dbraw/zinc/37/97/88/556379788.db2.gz LUCLPLJAMGRVQW-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN NC(=O)CSc1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000014180690 556382196 /nfs/dbraw/zinc/38/21/96/556382196.db2.gz OTUAVRJPQKIERO-UHFFFAOYSA-N 0 0 428.517 4.369 50 0 IIAARN O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000014180234 556382262 /nfs/dbraw/zinc/38/22/62/556382262.db2.gz IXLYSSQOGRAKGF-UHFFFAOYSA-N 0 0 442.591 4.473 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000014181118 556382558 /nfs/dbraw/zinc/38/25/58/556382558.db2.gz ASFXREDNARQKNF-UHFFFAOYSA-N 0 0 441.534 4.091 50 0 IIAARN CSc1ccc(C[C@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)cc1 ZINC000011976334 556383206 /nfs/dbraw/zinc/38/32/06/556383206.db2.gz WESROKSBXHEEAJ-VWLOTQADSA-N 0 0 435.593 4.220 50 0 IIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014183383 556383481 /nfs/dbraw/zinc/38/34/81/556383481.db2.gz XNSRLEGDXWTYAX-UHFFFAOYSA-N 0 0 434.327 4.338 50 0 IIAARN COc1cccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Cl)c1OC ZINC000014184093 556384070 /nfs/dbraw/zinc/38/40/70/556384070.db2.gz PQJCSPFTAURXNQ-UHFFFAOYSA-N 0 0 436.295 4.273 50 0 IIAARN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000014184318 556384446 /nfs/dbraw/zinc/38/44/46/556384446.db2.gz LHPGPRGNDFDUQE-GOSISDBHSA-N 0 0 436.537 4.007 50 0 IIAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000014187644 556386674 /nfs/dbraw/zinc/38/66/74/556386674.db2.gz ICHFBYQKVUPPIT-UHFFFAOYSA-N 0 0 434.989 4.016 50 0 IIAARN Cc1noc(C)c1CC(=O)NCc1nnc(SCc2ccccc2Cl)n1CC(C)C ZINC000012034289 556389138 /nfs/dbraw/zinc/38/91/38/556389138.db2.gz HSNRARJFVLFWNI-UHFFFAOYSA-N 0 0 447.992 4.344 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)/C=C/c2cccnc2)CC3)cc1Cl ZINC000012034857 556389481 /nfs/dbraw/zinc/38/94/81/556389481.db2.gz ITCCSCHYUPYEEP-UKTKYZJWSA-N 0 0 425.916 4.024 50 0 IIAARN CC1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000014201979 556392311 /nfs/dbraw/zinc/39/23/11/556392311.db2.gz VRRFLMWHBOUPOR-UHFFFAOYSA-N 0 0 428.598 4.278 50 0 IIAARN O=C(c1ccco1)N(Cc1ccc(OC2Cc3ccccc3C2)cc1)[C@H]1CCCCNC1=O ZINC000012052192 556392833 /nfs/dbraw/zinc/39/28/33/556392833.db2.gz SIVMBXQFRHZRBB-DEOSSOPVSA-N 0 0 444.531 4.137 50 0 IIAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000012056694 556394560 /nfs/dbraw/zinc/39/45/60/556394560.db2.gz ZLKQVTQLQCWEEB-UHFFFAOYSA-N 0 0 442.531 4.122 50 0 IIAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 ZINC000014242804 556403472 /nfs/dbraw/zinc/40/34/72/556403472.db2.gz VBATVTJBXQAVRM-UHFFFAOYSA-N 0 0 439.537 4.253 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000032578642 556405555 /nfs/dbraw/zinc/40/55/55/556405555.db2.gz FLAKTANWSIXEER-UHFFFAOYSA-N 0 0 429.432 4.355 50 0 IIAARN O=C(Nc1ccnn1Cc1cccs1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000032593426 556406963 /nfs/dbraw/zinc/40/69/63/556406963.db2.gz WTXWWESQYDPPRV-UHFFFAOYSA-N 0 0 430.283 4.114 50 0 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COc1ccccc1-n1c(SCc2nc(CC(C)C)no2)nnc1N1CCCCC1 ZINC000032905595 556549210 /nfs/dbraw/zinc/54/92/10/556549210.db2.gz SNRTVMDKPGXDMA-UHFFFAOYSA-N 0 0 428.562 4.140 50 0 IIAARN O=C(CCn1cnc2onc(-c3ccccc3Cl)c2c1=O)Nc1ccc(F)c(F)c1 ZINC000032933728 556549759 /nfs/dbraw/zinc/54/97/59/556549759.db2.gz APUHYNOEJPTJAQ-UHFFFAOYSA-N 0 0 430.798 4.012 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4)C3)c2c1C ZINC000032960052 556556056 /nfs/dbraw/zinc/55/60/56/556556056.db2.gz MSWAVLRBNQOFGP-AWEZNQCLSA-N 0 0 429.318 4.457 50 0 IIAARN Cc1noc([C@H](C)Sc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)n1 ZINC000032905981 556556948 /nfs/dbraw/zinc/55/69/48/556556948.db2.gz GEZNCKCNTBMOSS-ZDUSSCGKSA-N 0 0 446.492 4.040 50 0 IIAARN COc1ccccc1OCC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266263 556557669 /nfs/dbraw/zinc/55/76/69/556557669.db2.gz VTGWSRPVNRCZCO-JOCHJYFZSA-N 0 0 433.439 4.169 50 0 IIAARN O=C(NCC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274762 556559071 /nfs/dbraw/zinc/55/90/71/556559071.db2.gz RZPKUDMQLQZBKT-UHFFFAOYSA-N 0 0 430.545 4.355 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc1 ZINC000015869193 556559969 /nfs/dbraw/zinc/55/99/69/556559969.db2.gz CZWTUYJGXGITDS-UHFFFAOYSA-N 0 0 435.484 4.355 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1C ZINC000015869551 556560289 /nfs/dbraw/zinc/56/02/89/556560289.db2.gz GVNKTMCLFFOIML-UHFFFAOYSA-N 0 0 438.549 4.354 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 ZINC000015882536 556561386 /nfs/dbraw/zinc/56/13/86/556561386.db2.gz VESDDVQECCXZQS-UHFFFAOYSA-N 0 0 444.442 4.203 50 0 IIAARN COC(=O)Cn1ncc2c1ncnc2N[C@@H](CC(C)C)c1ccccc1OCC(C)C ZINC000072307349 556562337 /nfs/dbraw/zinc/56/23/37/556562337.db2.gz FCSAWSKWFMDYBN-IBGZPJMESA-N 0 0 425.533 4.233 50 0 IIAARN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969236 556569704 /nfs/dbraw/zinc/56/97/04/556569704.db2.gz BKGNLSHFTSZWQC-CTUHWIOQSA-N 0 0 444.959 4.361 50 0 IIAARN CO/C=C(/C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(OC(C)C)n1 ZINC000034046865 556570816 /nfs/dbraw/zinc/57/08/16/556570816.db2.gz MXWAGQASUDSFBG-RVDMUPIBSA-N 0 0 426.391 4.022 50 0 in-vitro IIAARN Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c2c1 ZINC000072309558 556571866 /nfs/dbraw/zinc/57/18/66/556571866.db2.gz HQPABKOARIASFS-UHFFFAOYSA-N 0 0 428.536 4.375 50 0 IIAARN NC(=O)Cn1c(CSc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21 ZINC000000778119 556573046 /nfs/dbraw/zinc/57/30/46/556573046.db2.gz WEYPULCMDKYDNR-UHFFFAOYSA-N 0 0 427.533 4.212 50 0 IIAARN COc1cc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc(OC)c1 ZINC000016677748 556575660 /nfs/dbraw/zinc/57/56/60/556575660.db2.gz GAWXZMNPFDRHFD-DEOSSOPVSA-N 0 0 429.524 4.209 50 0 IIAARN CCSCc1ccc(C(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000072310409 556576052 /nfs/dbraw/zinc/57/60/52/556576052.db2.gz FUMPFEKMQJJBEM-QGZVFWFLSA-N 0 0 427.488 4.470 50 0 IIAARN O=C(CCCc1cccs1)Nc1cccc(C(=O)NCC2CCC3(CC2)OCCO3)c1 ZINC000072310393 556576123 /nfs/dbraw/zinc/57/61/23/556576123.db2.gz BJXJZTCJSOVTAG-UHFFFAOYSA-N 0 0 442.581 4.373 50 0 IIAARN CSCC[C@@H](NC(=O)/C=C/c1cccc(Br)c1)c1nnc2ccccn21 ZINC000016033318 556576814 /nfs/dbraw/zinc/57/68/14/556576814.db2.gz PRENQJHXHOINMI-ROJDOSBLSA-N 0 0 431.359 4.116 50 0 IIAARN CC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016035094 556577454 /nfs/dbraw/zinc/57/74/54/556577454.db2.gz FLYYNCKUNAHYMJ-FUMNGEBKSA-N 0 0 427.287 4.098 50 0 IIAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000023550038 556579711 /nfs/dbraw/zinc/57/97/11/556579711.db2.gz WUQWHTANBXFKFN-CVDCTZTESA-N 0 0 433.508 4.264 50 0 IIAARN Cc1cccc(CNC(=O)c2csc(CN3CCN(c4ccccc4Cl)CC3)n2)c1 ZINC000034685300 556580665 /nfs/dbraw/zinc/58/06/65/556580665.db2.gz PKFZJRFEIYPQDU-UHFFFAOYSA-N 0 0 441.000 4.357 50 0 IIAARN COc1ccc(NC(=O)Cc2cccc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000016050363 556580979 /nfs/dbraw/zinc/58/09/79/556580979.db2.gz XUOITXIHFAKYJQ-UHFFFAOYSA-N 0 0 438.549 4.204 50 0 IIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000016050479 556581027 /nfs/dbraw/zinc/58/10/27/556581027.db2.gz XUAMGPJIOHJIJM-UHFFFAOYSA-N 0 0 443.883 4.129 50 0 IIAARN COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000016115145 556583531 /nfs/dbraw/zinc/58/35/31/556583531.db2.gz VERWEBZLEDZJBI-STZFKDTASA-N 0 0 447.516 4.469 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc4c(Cl)cc(Cl)cn34)ccc21 ZINC000016130004 556584792 /nfs/dbraw/zinc/58/47/92/556584792.db2.gz RENKWHHJQNRZRD-JTQLQIEISA-N 0 0 435.336 4.309 50 0 IIAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000016248266 556594251 /nfs/dbraw/zinc/59/42/51/556594251.db2.gz XHYLKQRUFPYEDH-UHFFFAOYSA-N 0 0 436.577 4.087 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000016248389 556594254 /nfs/dbraw/zinc/59/42/54/556594254.db2.gz NLEUJBDELMZUBP-UHFFFAOYSA-N 0 0 441.258 4.417 50 0 IIAARN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2OC)CC1 ZINC000016285952 556597497 /nfs/dbraw/zinc/59/74/97/556597497.db2.gz XMGRLLSLRRLLFN-UHFFFAOYSA-N 0 0 436.339 4.313 50 0 IIAARN CC(=O)N(c1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(=S)s1)C1CC1 ZINC000032913316 556597661 /nfs/dbraw/zinc/59/76/61/556597661.db2.gz ABMQZZKQAGTRDL-CQSZACIVSA-N 0 0 429.571 4.168 50 0 IIAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000032978169 556600918 /nfs/dbraw/zinc/60/09/18/556600918.db2.gz ZHPHBYJYJUOCNE-SANMLTNESA-N 0 0 446.551 4.005 50 0 IIAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)n1C ZINC000016381578 556603664 /nfs/dbraw/zinc/60/36/64/556603664.db2.gz DYKBKMHETOIKHF-UHFFFAOYSA-N 0 0 446.580 4.076 50 0 IIAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000016400639 556605521 /nfs/dbraw/zinc/60/55/21/556605521.db2.gz KMAVHSTVFSECMM-UHFFFAOYSA-N 0 0 435.299 4.404 50 0 IIAARN COc1ccc(C)cc1NC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000016400332 556605530 /nfs/dbraw/zinc/60/55/30/556605530.db2.gz OYJOKLMZINGXNE-UHFFFAOYSA-N 0 0 433.599 4.233 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccccc3Cl)s2)cc1 ZINC000032987840 556608314 /nfs/dbraw/zinc/60/83/14/556608314.db2.gz OGSBXGAKOHTMJB-UHFFFAOYSA-N 0 0 428.945 4.391 50 0 IIAARN Brc1ccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)cc1 ZINC000071889794 556608451 /nfs/dbraw/zinc/60/84/51/556608451.db2.gz MUSRQNUSROYBQP-UHFFFAOYSA-N 0 0 443.297 4.367 50 0 IIAARN Cc1cccc(-c2noc(CN3CCC4(C[C@@H]4c4nc(-c5cccnc5)no4)CC3)n2)c1 ZINC000071890634 556608464 /nfs/dbraw/zinc/60/84/64/556608464.db2.gz RQLJUFZWXWLJEI-LJQANCHMSA-N 0 0 428.496 4.260 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013494975 556609161 /nfs/dbraw/zinc/60/91/61/556609161.db2.gz QJVPAZXXZGHASD-CQSZACIVSA-N 0 0 442.541 4.032 50 0 IIAARN COc1ccc([C@H](NC(=O)CSc2ccc(Br)cc2)c2nccn2C)cc1 ZINC000016473846 556609916 /nfs/dbraw/zinc/60/99/16/556609916.db2.gz APFDRDDWRWNHBM-IBGZPJMESA-N 0 0 446.370 4.189 50 0 IIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1ccccc1Cl ZINC000032995403 556611184 /nfs/dbraw/zinc/61/11/84/556611184.db2.gz FPYPYYUCVZQXHA-UHFFFAOYSA-N 0 0 432.908 4.222 50 0 IIAARN c1ccc(CO[C@@H]2[C@H]3CO[C@H](O3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000038599529 556614597 /nfs/dbraw/zinc/61/45/97/556614597.db2.gz JSRSLTCFTYHIRT-IURCNINISA-N 0 0 432.516 4.498 50 0 in-vitro IIAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1OC ZINC000038651739 556615391 /nfs/dbraw/zinc/61/53/91/556615391.db2.gz LSAKOZCBBVSZSA-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(Cl)c3C)n2)ccc1C ZINC000016649803 556620286 /nfs/dbraw/zinc/62/02/86/556620286.db2.gz KQJTUNZRSBZZIT-HNNXBMFYSA-N 0 0 438.915 4.339 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)ccc1C ZINC000016651210 556620643 /nfs/dbraw/zinc/62/06/43/556620643.db2.gz WIDPVFZSAQIYAI-CQSZACIVSA-N 0 0 440.450 4.045 50 0 IIAARN COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000038828873 556620782 /nfs/dbraw/zinc/62/07/82/556620782.db2.gz XEWISOWOGUVMLS-UHFFFAOYSA-N 0 0 445.910 4.319 50 0 IIAARN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000247910284 556623531 /nfs/dbraw/zinc/62/35/31/556623531.db2.gz DGHPHMVBXBBHAA-YHYVQYDKSA-N 0 0 435.524 4.066 50 0 IIAARN O=C(NCCc1ccco1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998842 556626770 /nfs/dbraw/zinc/62/67/70/556626770.db2.gz JBDBEOBEOZFEGU-UHFFFAOYSA-N 0 0 435.480 4.088 50 0 IIAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000016694803 556628222 /nfs/dbraw/zinc/62/82/22/556628222.db2.gz SADFJYXOQGUBGZ-UHFFFAOYSA-N 0 0 445.548 4.037 50 0 IIAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000039383630 556628389 /nfs/dbraw/zinc/62/83/89/556628389.db2.gz SOYILTDRPXWNMS-UHFFFAOYSA-N 0 0 430.434 4.288 50 0 IIAARN COc1ccccc1[C@@H]1CN(CC(=O)NCc2cccc(F)c2F)Cc2ccccc2O1 ZINC000039413274 556628719 /nfs/dbraw/zinc/62/87/19/556628719.db2.gz SKJRQVCPRJUNMF-QHCPKHFHSA-N 0 0 438.474 4.226 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4OC[C@H]5CCCCN5C4=O)cc3)sc2c1 ZINC000033768671 556631384 /nfs/dbraw/zinc/63/13/84/556631384.db2.gz ISRSGVWJLUAGKK-UYAOXDASSA-N 0 0 435.549 4.380 50 0 IIAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000005100128 556634292 /nfs/dbraw/zinc/63/42/92/556634292.db2.gz OFKWEXJJYVBGMF-FPOVZHCZSA-N 0 0 429.582 4.102 50 0 IIAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)c1ccccc1C ZINC000033784329 556634586 /nfs/dbraw/zinc/63/45/86/556634586.db2.gz UICBDKMYNVAUFZ-VWLOTQADSA-N 0 0 433.527 4.420 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3ccc(F)cc3F)C2)cc1 ZINC000097938669 556635252 /nfs/dbraw/zinc/63/52/52/556635252.db2.gz FWMIRKDMFIBMHA-KRWDZBQOSA-N 0 0 434.446 4.472 50 0 IIAARN CCCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016742122 556635996 /nfs/dbraw/zinc/63/59/96/556635996.db2.gz PBWYIHKSTONPIQ-OAQYLSRUSA-N 0 0 445.581 4.092 50 0 IIAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016750651 556637103 /nfs/dbraw/zinc/63/71/03/556637103.db2.gz BVYYNJRYUYWFCF-SFHVURJKSA-N 0 0 429.513 4.327 50 0 IIAARN O=c1oc2ccccc2c([O-])c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022942796 556639868 /nfs/dbraw/zinc/63/98/68/556639868.db2.gz YETPLKHCKNHQPG-UHFFFAOYSA-N 0 0 426.516 4.406 50 0 IIAARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000016766178 556640121 /nfs/dbraw/zinc/64/01/21/556640121.db2.gz CDICESCUYXICRQ-QMMMGPOBSA-N 0 0 430.675 4.011 50 0 IIAARN O=C(Cn1nc(Cn2nnc3ccccc32)n(-c2ccccc2)c1=S)c1ccccc1 ZINC000016769480 556640450 /nfs/dbraw/zinc/64/04/50/556640450.db2.gz ILBHYHOWBWTQNR-UHFFFAOYSA-N 0 0 426.505 4.079 50 0 IIAARN CCCCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000016805602 556643430 /nfs/dbraw/zinc/64/34/30/556643430.db2.gz WQSKVMNSKCOUAF-OAQYLSRUSA-N 0 0 446.569 4.478 50 0 IIAARN COc1cc2c(cc1Cn1c3ccccc3nc1-c1cc3c(cc1OC)OCO3)OCO2 ZINC000040545109 556644377 /nfs/dbraw/zinc/64/43/77/556644377.db2.gz LBDMFQRYYBJIMO-UHFFFAOYSA-N 0 0 432.432 4.226 50 0 IIAARN COCCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1 ZINC000037601056 556646264 /nfs/dbraw/zinc/64/62/64/556646264.db2.gz JZEKJZOYKMOVEI-UHFFFAOYSA-N 0 0 438.474 4.117 50 0 IIAARN CC(C)CN(C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccccc1 ZINC000037612467 556648162 /nfs/dbraw/zinc/64/81/62/556648162.db2.gz UMDKBUSXCXPYFG-OAQYLSRUSA-N 0 0 429.948 4.371 50 0 IIAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1cccc(F)c1 ZINC000016903521 556648780 /nfs/dbraw/zinc/64/87/80/556648780.db2.gz WXFLRJDLLHRWBE-NQIIRXRSSA-N 0 0 445.494 4.136 50 0 IIAARN O=C(CC(c1ccccc1)c1ccccc1)NCCCn1nc(-c2ccncc2)ccc1=O ZINC000011746483 556650056 /nfs/dbraw/zinc/65/00/56/556650056.db2.gz MEUARKIOCMGCTP-UHFFFAOYSA-N 0 0 438.531 4.034 50 0 IIAARN CC1CCN(c2nnc(SCc3nc(-c4ccccc4)no3)n2C[C@H]2CCCO2)CC1 ZINC000011746841 556650071 /nfs/dbraw/zinc/65/00/71/556650071.db2.gz QEWIQNMTTHKDNC-GOSISDBHSA-N 0 0 440.573 4.036 50 0 IIAARN CC1CCN(c2nnc(SCc3nc(-c4ccccc4)no3)n2C[C@@H]2CCCO2)CC1 ZINC000011746838 556650165 /nfs/dbraw/zinc/65/01/65/556650165.db2.gz QEWIQNMTTHKDNC-SFHVURJKSA-N 0 0 440.573 4.036 50 0 IIAARN COc1ccc(-c2cc3c(SCC(=O)NCc4ccccc4Cl)nccn3n2)cc1 ZINC000016954670 556650296 /nfs/dbraw/zinc/65/02/96/556650296.db2.gz SWDMTONRXYEVQF-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN CCOc1ccc(NC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)cc1 ZINC000032999222 556653033 /nfs/dbraw/zinc/65/30/33/556653033.db2.gz MVTUUTIFCMTCSZ-UHFFFAOYSA-N 0 0 448.498 4.371 50 0 IIAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1 ZINC000038651904 556653670 /nfs/dbraw/zinc/65/36/70/556653670.db2.gz QXRUHNCOHCBZGE-UHFFFAOYSA-N 0 0 432.914 4.339 50 0 IIAARN Cc1ccc(C2=Nc3nc(CCCO)nn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000100706929 556655537 /nfs/dbraw/zinc/65/55/37/556655537.db2.gz LLDGURRMSAYLKM-IBGZPJMESA-N 0 0 425.330 4.330 50 0 IIAARN CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CC)cn1 ZINC000017094325 556657619 /nfs/dbraw/zinc/65/76/19/556657619.db2.gz WGJCIAQNGVJZDS-UHFFFAOYSA-N 0 0 425.345 4.219 50 0 IIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000017097673 556661989 /nfs/dbraw/zinc/66/19/89/556661989.db2.gz QKWMQLWXKIQGJR-ZDUSSCGKSA-N 0 0 431.587 4.440 50 0 IIAARN CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000017097647 556662009 /nfs/dbraw/zinc/66/20/09/556662009.db2.gz WRQSEHFLLUSXST-HNNXBMFYSA-N 0 0 431.583 4.261 50 0 IIAARN O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc2ccccc2o1 ZINC000011855824 556662445 /nfs/dbraw/zinc/66/24/45/556662445.db2.gz STTPLBBADYDILP-UHFFFAOYSA-N 0 0 443.488 4.171 50 0 IIAARN CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000017101391 556666147 /nfs/dbraw/zinc/66/61/47/556666147.db2.gz BHBIYBDSWCBWHG-MSSGHMPVSA-N 0 0 437.495 4.434 50 0 IIAARN CN(c1ccsc1C(=O)NCc1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000044170377 556666506 /nfs/dbraw/zinc/66/65/06/556666506.db2.gz DDBVJLKYSPGVBZ-UHFFFAOYSA-N 0 0 438.933 4.296 50 0 IIAARN CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000011866924 556667297 /nfs/dbraw/zinc/66/72/97/556667297.db2.gz UVNDARASZBRXGJ-DZTNWFRXSA-N 0 0 441.568 4.365 50 0 biogenic IIAARN O=C(CSC(=S)N1CCOCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000017123183 556668602 /nfs/dbraw/zinc/66/86/02/556668602.db2.gz IPSZAVHAZNWPOK-UHFFFAOYSA-N 0 0 439.562 4.297 50 0 IIAARN COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000017142017 556669651 /nfs/dbraw/zinc/66/96/51/556669651.db2.gz SMDGYUXIZWCCHF-ZFNHMYRTSA-N 0 0 441.524 4.414 50 0 IIAARN COc1ccc(-c2cn3c(C(=O)N4CCN(c5ccccc5F)CC4)csc3n2)cc1 ZINC000011902206 556669723 /nfs/dbraw/zinc/66/97/23/556669723.db2.gz FZGIFFITDVXDLO-UHFFFAOYSA-N 0 0 436.512 4.173 50 0 IIAARN O=c1/c(=C/c2ccccc2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000017145746 556669926 /nfs/dbraw/zinc/66/99/26/556669926.db2.gz RSRANSZACLZMEK-CVGPFBNFSA-N 0 0 442.565 4.086 50 0 IIAARN COc1cccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2Br)c1 ZINC000100798951 556675369 /nfs/dbraw/zinc/67/53/69/556675369.db2.gz CTNFXVYHVMQZOW-SFHVURJKSA-N 0 0 438.661 4.060 50 0 IIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000011919201 556675448 /nfs/dbraw/zinc/67/54/48/556675448.db2.gz DLZTZUSKVMFIIN-SFHVURJKSA-N 0 0 427.504 4.190 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CCSc2ccccc2)CC1 ZINC000032932439 556675644 /nfs/dbraw/zinc/67/56/44/556675644.db2.gz HMOZHJCXDJYVLS-UHFFFAOYSA-N 0 0 434.609 4.098 50 0 IIAARN COc1ccc(C)cc1NC(=O)COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032933255 556676589 /nfs/dbraw/zinc/67/65/89/556676589.db2.gz OZISUKYVEZUKDF-INIZCTEOSA-N 0 0 439.537 4.012 50 0 IIAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc(NCc3ccccc3)ncc2Cl)cc1 ZINC000032933278 556676630 /nfs/dbraw/zinc/67/66/30/556676630.db2.gz VWNPQUGEINMJBP-OAHLLOKOSA-N 0 0 438.915 4.489 50 0 IIAARN COc1ccccc1Nc1nn(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(=S)s1 ZINC000032935437 556678230 /nfs/dbraw/zinc/67/82/30/556678230.db2.gz GPYDNZVFIZTVCT-HOTGVXAUSA-N 0 0 436.603 4.044 50 0 IIAARN CCCC[C@@H](C(=O)OCCC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017824855 556679655 /nfs/dbraw/zinc/67/96/55/556679655.db2.gz FSKALXHCHZICHX-XNOWSJKESA-N 0 0 431.532 4.391 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000012007845 556680781 /nfs/dbraw/zinc/68/07/81/556680781.db2.gz YUHTWVDZPBOWBN-UHFFFAOYSA-N 0 0 449.536 4.211 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000017987387 556680913 /nfs/dbraw/zinc/68/09/13/556680913.db2.gz GWDYMXIQIXUHKC-QZTJIDSGSA-N 0 0 428.282 4.348 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000018155579 556685231 /nfs/dbraw/zinc/68/52/31/556685231.db2.gz AGWYBKXTICVKLV-QZTJIDSGSA-N 0 0 425.282 4.157 50 0 aggregator IIAARN COc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c(C)c1 ZINC000018172689 556685580 /nfs/dbraw/zinc/68/55/80/556685580.db2.gz HVDFIBVELPXFOP-XFKLWTPLSA-N 0 0 445.361 4.292 50 0 IIAARN CC[C@@H](C)NC(=O)CSc1nc2cc(-c3ccccc3)[nH]c2c(=O)n1Cc1ccccc1 ZINC000033022302 556687383 /nfs/dbraw/zinc/68/73/83/556687383.db2.gz HUIHMVCUKPPRQE-QGZVFWFLSA-N 0 0 446.576 4.447 50 0 IIAARN O=c1c2ccc(Cl)cc2nc(SCC[S@](=O)c2ccccc2)n1C[C@H]1CCCO1 ZINC000032937851 556690747 /nfs/dbraw/zinc/69/07/47/556690747.db2.gz KAEHLBQUOAAILJ-HYDGNGQDSA-N 0 0 448.997 4.129 50 0 IIAARN CC(C)Cn1ccc2cc(NC(=O)CC[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc21 ZINC000252571991 556691965 /nfs/dbraw/zinc/69/19/65/556691965.db2.gz YRIXFETUUQWUAS-OAQYLSRUSA-N 0 0 432.524 4.341 50 0 IIAARN Cc1nc2ccc(I)cc2c(=O)n1-c1cccc(Br)c1 ZINC000000777928 556692611 /nfs/dbraw/zinc/69/26/11/556692611.db2.gz PYUNKMNULOVWNX-UHFFFAOYSA-N 0 0 441.066 4.061 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 ZINC000046141542 556692990 /nfs/dbraw/zinc/69/29/90/556692990.db2.gz VOEBZXQOWXDJCD-LBPRGKRZSA-N 0 0 447.513 4.415 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000137510169 556696954 /nfs/dbraw/zinc/69/69/54/556696954.db2.gz JQUZKCPXNCFLNV-RBZQAINGSA-N 0 0 444.487 4.063 50 0 IIAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1 ZINC000013563975 556697570 /nfs/dbraw/zinc/69/75/70/556697570.db2.gz NFWSYODCRLMNCV-UHFFFAOYSA-N 0 0 429.476 4.200 50 0 IIAARN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000013609329 556702567 /nfs/dbraw/zinc/70/25/67/556702567.db2.gz DZIPXANSGQRFCA-CALCHBBNSA-N 0 0 437.540 4.254 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)o1 ZINC000033027979 556708367 /nfs/dbraw/zinc/70/83/67/556708367.db2.gz OTCOPUVVXFPQKF-UHFFFAOYSA-N 0 0 448.504 4.201 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c(OC)c1OC ZINC000013694947 556711915 /nfs/dbraw/zinc/71/19/15/556711915.db2.gz HTKYBJAMBJQXPC-UHFFFAOYSA-N 0 0 438.505 4.229 50 0 IIAARN COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1C ZINC000013696248 556712251 /nfs/dbraw/zinc/71/22/51/556712251.db2.gz UNMFFNIEXOEQQO-UHFFFAOYSA-N 0 0 442.562 4.377 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)c(OC)c1 ZINC000013720637 556717146 /nfs/dbraw/zinc/71/71/46/556717146.db2.gz YEYKKUVVIKAPRO-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138560574 556718734 /nfs/dbraw/zinc/71/87/34/556718734.db2.gz RNYKEFUCTFADGF-OKZBNKHCSA-N 0 0 436.726 4.182 50 0 IIAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000013733027 556721302 /nfs/dbraw/zinc/72/13/02/556721302.db2.gz LJWDNAYHOZIOJR-UHFFFAOYSA-N 0 0 425.554 4.200 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1 ZINC000061720227 556726828 /nfs/dbraw/zinc/72/68/28/556726828.db2.gz UCIVJDOGXBJUKB-UHFFFAOYSA-N 0 0 438.534 4.415 50 0 IIAARN CS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1 ZINC000011144479 556728671 /nfs/dbraw/zinc/72/86/71/556728671.db2.gz VWHORVXXKHMFOW-UHFFFAOYSA-N 0 0 430.913 4.396 50 0 IIAARN Cc1ccc(Cn2ncc3c2ncnc3N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054360509 556730470 /nfs/dbraw/zinc/73/04/70/556730470.db2.gz APNRYKWFRXKNKR-UHFFFAOYSA-N 0 0 432.959 4.159 50 0 IIAARN COc1ccc(NC(=O)[C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000013786452 556731814 /nfs/dbraw/zinc/73/18/14/556731814.db2.gz LYORNDAJZOORIK-OOFVUSCSSA-N 0 0 444.487 4.242 50 0 aggregator IIAARN CSc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1 ZINC000055074693 556734021 /nfs/dbraw/zinc/73/40/21/556734021.db2.gz KQVVBSXNCMDKRT-UHFFFAOYSA-N 0 0 425.529 4.355 50 0 IIAARN O=C(c1nc2sccn2c1CN1CCC[C@H](OCc2ccccc2)C1)N1CCCCC1 ZINC000055152970 556736331 /nfs/dbraw/zinc/73/63/31/556736331.db2.gz DOAKDXDAZRZUGQ-FQEVSTJZSA-N 0 0 438.597 4.203 50 0 IIAARN Cc1cccc(N2CCN(Cc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)CC2)c1C ZINC000055545136 556741959 /nfs/dbraw/zinc/74/19/59/556741959.db2.gz JUTDCTWEXSDPFE-UHFFFAOYSA-N 0 0 442.538 4.464 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000013810624 556743655 /nfs/dbraw/zinc/74/36/55/556743655.db2.gz GBHHBAWMZJBMFH-QHCPKHFHSA-N 0 0 443.503 4.378 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 ZINC000019355583 556745145 /nfs/dbraw/zinc/74/51/45/556745145.db2.gz SNGWKBOLLLEJSX-UHFFFAOYSA-N 0 0 427.453 4.459 50 0 IIAARN CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1 ZINC000001782237 556757589 /nfs/dbraw/zinc/75/75/89/556757589.db2.gz MFYUQWNFUYAGDH-UHFFFAOYSA-N 0 0 427.092 4.432 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000061880467 556762506 /nfs/dbraw/zinc/76/25/06/556762506.db2.gz CJQCYIZNMDUATF-GOSISDBHSA-N 0 0 436.987 4.225 50 0 IIAARN O=c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)nc2ccc(Br)cn12 ZINC000058160431 556764474 /nfs/dbraw/zinc/76/44/74/556764474.db2.gz SHPFFMNAVLIVRF-INIZCTEOSA-N 0 0 441.354 4.404 50 0 IIAARN COc1ccc(-c2nsc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2N)cc1 ZINC000062007104 556765073 /nfs/dbraw/zinc/76/50/73/556765073.db2.gz YLNQHMHSHPTJPH-UHFFFAOYSA-N 0 0 428.945 4.017 50 0 IIAARN CCOc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1OCC ZINC000005354242 556767491 /nfs/dbraw/zinc/76/74/91/556767491.db2.gz UOQKHNPCGPPCCQ-INIZCTEOSA-N 0 0 428.529 4.059 50 0 biogenic IIAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000058244121 556774786 /nfs/dbraw/zinc/77/47/86/556774786.db2.gz SUSSBQKMRHAOBX-HSZRJFAPSA-N 0 0 437.515 4.326 50 0 IIAARN Cc1ncc(CN(C)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)s1 ZINC000058282530 556777527 /nfs/dbraw/zinc/77/75/27/556777527.db2.gz WBJRNXYIMCLNBF-MRXNPFEDSA-N 0 0 442.463 4.252 50 0 IIAARN CC[C@]1(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CCC(=O)NC1=O ZINC000058289871 556777743 /nfs/dbraw/zinc/77/77/43/556777743.db2.gz RVKZVAVDDLCAGK-HXUWFJFHSA-N 0 0 449.732 4.439 50 0 IIAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000058297167 556778359 /nfs/dbraw/zinc/77/83/59/556778359.db2.gz QJXGJGPPKUHRFZ-UHFFFAOYSA-N 0 0 448.506 4.068 50 0 IIAARN Cc1cc(NC(=O)[C@H](Nc2cccc(I)c2)c2ccccc2)no1 ZINC000058377753 556784090 /nfs/dbraw/zinc/78/40/90/556784090.db2.gz WITVNSSNESACFF-QGZVFWFLSA-N 0 0 433.249 4.380 50 0 IIAARN Cc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)nn1-c1ccccc1F ZINC000058380601 556784285 /nfs/dbraw/zinc/78/42/85/556784285.db2.gz CIFJUYZHMKAUGQ-UHFFFAOYSA-N 0 0 438.459 4.119 50 0 IIAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000058424853 556787781 /nfs/dbraw/zinc/78/77/81/556787781.db2.gz FZVKUQSFPFYNOZ-UHFFFAOYSA-N 0 0 427.277 4.244 50 0 IIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000058426614 556787830 /nfs/dbraw/zinc/78/78/30/556787830.db2.gz DBRDZSPJDUCMIN-DENIHFKCSA-N 0 0 428.410 4.359 50 0 IIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000058426610 556787948 /nfs/dbraw/zinc/78/79/48/556787948.db2.gz DBRDZSPJDUCMIN-SIKLNZKXSA-N 0 0 428.410 4.359 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)OCc1ccc(Cl)c2cccnc12 ZINC000058667149 556791074 /nfs/dbraw/zinc/79/10/74/556791074.db2.gz OWIYPQOVVCWMQO-UHFFFAOYSA-N 0 0 431.197 4.466 50 0 IIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2nccs2)CC1 ZINC000011188276 556792476 /nfs/dbraw/zinc/79/24/76/556792476.db2.gz KFTQUAHWULLUEN-UHFFFAOYSA-N 0 0 437.352 4.386 50 0 IIAARN COc1ccc([C@H](O)CNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)cc1 ZINC000059386739 556799194 /nfs/dbraw/zinc/79/91/94/556799194.db2.gz IVJNNTIQQFKVSU-QGZVFWFLSA-N 0 0 440.714 4.347 50 0 IIAARN O=C(NCCn1ccc2ccc(Br)cc21)C1(c2ccccc2)CCOCC1 ZINC000072401711 556799976 /nfs/dbraw/zinc/79/99/76/556799976.db2.gz JOZHROAFYUDNEC-UHFFFAOYSA-N 0 0 427.342 4.268 50 0 IIAARN COc1cc(NC2=NC(=O)SC2=Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC ZINC000072402024 556801237 /nfs/dbraw/zinc/80/12/37/556801237.db2.gz PIIVJLQCYCPXLW-NVMNQCDNSA-N 0 0 437.477 4.272 50 0 IIAARN Cn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 ZINC000002660815 556802882 /nfs/dbraw/zinc/80/28/82/556802882.db2.gz HCXCCZJDNYOQBT-UHFFFAOYSA-N 0 0 439.343 4.379 50 0 IIAARN COc1ccccc1N1CCN(C[C@@H](C)N(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000059606983 556803078 /nfs/dbraw/zinc/80/30/78/556803078.db2.gz MDUDKPOIYPKKNF-OAQYLSRUSA-N 0 0 436.600 4.214 50 0 IIAARN COC(=O)C[C@@H](NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)c1ccc(F)cc1 ZINC000059959642 556805408 /nfs/dbraw/zinc/80/54/08/556805408.db2.gz IRFXAOXSMYVHPN-LJQANCHMSA-N 0 0 443.906 4.375 50 0 IIAARN O=C(COC(=O)c1ccc(I)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003253770 556807005 /nfs/dbraw/zinc/80/70/05/556807005.db2.gz VWEWMYKWAFNBME-UHFFFAOYSA-N 0 0 449.166 4.106 50 0 IIAARN CCc1ccc(N(CC)C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000033057743 556807750 /nfs/dbraw/zinc/80/77/50/556807750.db2.gz ZWSGCCMKARARSI-UHFFFAOYSA-N 0 0 436.899 4.320 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1C ZINC000003281990 556808065 /nfs/dbraw/zinc/80/80/65/556808065.db2.gz DYSGGAOAXYRFJI-UHFFFAOYSA-N 0 0 426.513 4.279 50 0 IIAARN O=C(COC(=O)c1ccc(Br)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003286369 556808646 /nfs/dbraw/zinc/80/86/46/556808646.db2.gz FXUDUXIMMGWXOF-UHFFFAOYSA-N 0 0 437.599 4.312 50 0 IIAARN COc1cc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc(OC)c1OC ZINC000003305246 556809244 /nfs/dbraw/zinc/80/92/44/556809244.db2.gz DKNYVFWHXBITEH-UHFFFAOYSA-N 0 0 429.498 4.110 50 0 IIAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000003328921 556812343 /nfs/dbraw/zinc/81/23/43/556812343.db2.gz ZXJOQBBDAVQPCN-CXUHLZMHSA-N 0 0 430.254 4.036 50 0 IIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003334556 556812451 /nfs/dbraw/zinc/81/24/51/556812451.db2.gz GSHLXLXEOOQPGO-FQEVSTJZSA-N 0 0 432.973 4.322 50 0 IIAARN Cc1ccccc1NC(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccccc1C ZINC000003388683 556814128 /nfs/dbraw/zinc/81/41/28/556814128.db2.gz SAZUAFGAQMJNTO-UHFFFAOYSA-N 0 0 449.532 4.225 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)s1 ZINC000003449064 556815798 /nfs/dbraw/zinc/81/57/98/556815798.db2.gz QQUJWUYGWYCPCK-UHFFFAOYSA-N 0 0 443.388 4.328 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)n1 ZINC000072402739 556818250 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434.423 4.211 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000065003053 556831196 /nfs/dbraw/zinc/83/11/96/556831196.db2.gz MFCYGOSDSQDVRU-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000065003660 556831791 /nfs/dbraw/zinc/83/17/91/556831791.db2.gz HQKOHAGDUPIHLB-SFHVURJKSA-N 0 0 434.561 4.319 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc(N2CCCC2)n1 ZINC000065361839 556834088 /nfs/dbraw/zinc/83/40/88/556834088.db2.gz TXLDJYDFKFAMBU-UHFFFAOYSA-N 0 0 428.496 4.451 50 0 IIAARN Cc1sc2nc(SCc3ccc(C)cc3)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000019639152 556836751 /nfs/dbraw/zinc/83/67/51/556836751.db2.gz GZVPOOCFTWUTMH-UHFFFAOYSA-N 0 0 443.638 4.398 50 0 IIAARN COC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CCCCC2 ZINC000019643946 556838801 /nfs/dbraw/zinc/83/88/01/556838801.db2.gz ZMYABACVYDZRRC-UHFFFAOYSA-N 0 0 445.610 4.028 50 0 IIAARN COc1ccc(CCn2c(=S)[nH]nc2C(O)(c2ccccc2)c2ccccc2)cc1OC ZINC000019646276 556840520 /nfs/dbraw/zinc/84/05/20/556840520.db2.gz GYEYXDHJSXJBDH-UHFFFAOYSA-N 0 0 447.560 4.485 50 0 IIAARN Cc1sc2nc(CSCC(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c(=O)c2c1C ZINC000008708018 556842976 /nfs/dbraw/zinc/84/29/76/556842976.db2.gz GGYYCPIEEMHCMN-UHFFFAOYSA-N 0 0 442.610 4.464 50 0 IIAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1ccccc1-c1ccccc1 ZINC000008719393 556843253 /nfs/dbraw/zinc/84/32/53/556843253.db2.gz ISUCCCDDKIZDLJ-MHZLTWQESA-N 0 0 439.515 4.466 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1ccc(F)cc1 ZINC000008728021 556843779 /nfs/dbraw/zinc/84/37/79/556843779.db2.gz AUEFHGSWPFOFFU-CYBMUJFWSA-N 0 0 434.924 4.156 50 0 IIAARN COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000008729143 556843796 /nfs/dbraw/zinc/84/37/96/556843796.db2.gz XFFPVJHEOZEWOT-KBPBESRZSA-N 0 0 438.355 4.138 50 0 IIAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1 ZINC000067846784 556847172 /nfs/dbraw/zinc/84/71/72/556847172.db2.gz HBBGYSQBHWPFGO-LJQANCHMSA-N 0 0 426.476 4.257 50 0 IIAARN Cc1cc(SCC(=O)NCCc2cccs2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070547 556851164 /nfs/dbraw/zinc/85/11/64/556851164.db2.gz LIEGJAUNVMSOTQ-UHFFFAOYSA-N 0 0 426.542 4.356 50 0 IIAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(CC(C)C)c2=O ZINC000033076958 556851207 /nfs/dbraw/zinc/85/12/07/556851207.db2.gz JNFOGLKKTSAMOT-UHFFFAOYSA-N 0 0 439.581 4.029 50 0 IIAARN COc1ccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000033072653 556852306 /nfs/dbraw/zinc/85/23/06/556852306.db2.gz JQHBPSSSHNRNIW-UHFFFAOYSA-N 0 0 428.536 4.436 50 0 IIAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCc5ccccc5)CC4)c32)cc1 ZINC000033084769 556854752 /nfs/dbraw/zinc/85/47/52/556854752.db2.gz PKQCBADAXAFESP-UHFFFAOYSA-N 0 0 427.508 4.126 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087843 556855579 /nfs/dbraw/zinc/85/55/79/556855579.db2.gz IINYCILKGQJZDB-MRXNPFEDSA-N 0 0 443.594 4.221 50 0 IIAARN CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033087973 556855753 /nfs/dbraw/zinc/85/57/53/556855753.db2.gz XHUOEPKETYOWRT-UHFFFAOYSA-N 0 0 440.503 4.297 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 ZINC000033089225 556857855 /nfs/dbraw/zinc/85/78/55/556857855.db2.gz JPPNMNZZVBISTP-NSHDSACASA-N 0 0 425.282 4.336 50 0 IIAARN CC(C)n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087553 556857870 /nfs/dbraw/zinc/85/78/70/556857870.db2.gz LTJNFEIQTCIOIE-UHFFFAOYSA-N 0 0 438.553 4.096 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1 ZINC000033088586 556857939 /nfs/dbraw/zinc/85/79/39/556857939.db2.gz PKBGWPAEEBZNDC-UHFFFAOYSA-N 0 0 431.399 4.327 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000033113346 556860178 /nfs/dbraw/zinc/86/01/78/556860178.db2.gz ANPJVRLXXBSKBA-IBGZPJMESA-N 0 0 449.580 4.496 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC4CCCCC4)C3)s2)cc1 ZINC000033113370 556860269 /nfs/dbraw/zinc/86/02/69/556860269.db2.gz RHCCSYFTOUUNMC-INIZCTEOSA-N 0 0 427.574 4.321 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000033113537 556860384 /nfs/dbraw/zinc/86/03/84/556860384.db2.gz PHRCIDPLWNQRGQ-GOSISDBHSA-N 0 0 435.553 4.188 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000033121925 556863039 /nfs/dbraw/zinc/86/30/39/556863039.db2.gz JOZTWNHYNBRUDL-UHFFFAOYSA-N 0 0 433.537 4.472 50 0 IIAARN CSc1cccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000033125668 556866529 /nfs/dbraw/zinc/86/65/29/556866529.db2.gz IKBJAVGHXYFMEN-AWEZNQCLSA-N 0 0 429.929 4.322 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033125380 556866573 /nfs/dbraw/zinc/86/65/73/556866573.db2.gz AOYRMHYAQYCCTF-MRXNPFEDSA-N 0 0 441.915 4.226 50 0 IIAARN O=C(NCc1ccccc1)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126908 556867755 /nfs/dbraw/zinc/86/77/55/556867755.db2.gz BNERZUZHMSYONP-UHFFFAOYSA-N 0 0 440.421 4.305 50 0 IIAARN CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000033138450 556869895 /nfs/dbraw/zinc/86/98/95/556869895.db2.gz QJOPWWVWMNOXDC-UHFFFAOYSA-N 0 0 447.969 4.437 50 0 IIAARN CCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138517 556871057 /nfs/dbraw/zinc/87/10/57/556871057.db2.gz VIIBXOYSFOLPRZ-UHFFFAOYSA-N 0 0 427.551 4.173 50 0 IIAARN COc1cc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000033141803 556878238 /nfs/dbraw/zinc/87/82/38/556878238.db2.gz JAJBRZKYPAXWQG-UHFFFAOYSA-N 0 0 446.550 4.151 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000033171400 556882303 /nfs/dbraw/zinc/88/23/03/556882303.db2.gz DQDQBEXBHQSJBK-UHFFFAOYSA-N 0 0 444.463 4.101 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N ZINC000033171884 556882894 /nfs/dbraw/zinc/88/28/94/556882894.db2.gz CGQUMWZWKSLZFH-CQSZACIVSA-N 0 0 442.972 4.060 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1OC ZINC000033173639 556883523 /nfs/dbraw/zinc/88/35/23/556883523.db2.gz FERQMEPWPGVBRB-UHFFFAOYSA-N 0 0 440.443 4.410 50 0 IIAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(C(C)(C)C)cc4)o3)CC2=O)cc1 ZINC000033169759 556884981 /nfs/dbraw/zinc/88/49/81/556884981.db2.gz UWSXUJSRVQQAMC-MRXNPFEDSA-N 0 0 434.496 4.149 50 0 IIAARN Cc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 ZINC000033169911 556885201 /nfs/dbraw/zinc/88/52/01/556885201.db2.gz NEXIFJLKXVDQSD-CYBMUJFWSA-N 0 0 446.385 4.049 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(Cl)c2)c1N ZINC000033169941 556885237 /nfs/dbraw/zinc/88/52/37/556885237.db2.gz CTHSREYBEQHFRU-UHFFFAOYSA-N 0 0 440.866 4.225 50 0 IIAARN O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000033170146 556885420 /nfs/dbraw/zinc/88/54/20/556885420.db2.gz VOZQSNOIQPKACH-UHFFFAOYSA-N 0 0 439.972 4.187 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000033170587 556886123 /nfs/dbraw/zinc/88/61/23/556886123.db2.gz FCEKVWJXXJPJBC-FLIBITNWSA-N 0 0 443.500 4.038 50 0 IIAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000033249405 556889123 /nfs/dbraw/zinc/88/91/23/556889123.db2.gz SAMVJLIIMDWNGH-UHFFFAOYSA-N 0 0 440.590 4.209 50 0 IIAARN CCN(CC)C(=O)c1cnc2ccccc2c1S(=O)(=O)c1ccc(Br)cc1 ZINC000033249451 556889421 /nfs/dbraw/zinc/88/94/21/556889421.db2.gz GTAHYQWJNGGKII-UHFFFAOYSA-N 0 0 447.354 4.312 50 0 IIAARN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251184 556892134 /nfs/dbraw/zinc/89/21/34/556892134.db2.gz SMTHNQAQYGXTED-KRWDZBQOSA-N 0 0 435.421 4.439 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251914 556892281 /nfs/dbraw/zinc/89/22/81/556892281.db2.gz FPQFNINBCYPYOA-GOSISDBHSA-N 0 0 427.353 4.484 50 0 IIAARN Cc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000033255171 556894859 /nfs/dbraw/zinc/89/48/59/556894859.db2.gz SNCHJEIZMASGJR-UHFFFAOYSA-N 0 0 429.476 4.418 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000033256950 556895478 /nfs/dbraw/zinc/89/54/78/556895478.db2.gz LOWMFWASYJPSGY-UHFFFAOYSA-N 0 0 447.564 4.262 50 0 IIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)nn2)nc1 ZINC000072139201 556898996 /nfs/dbraw/zinc/89/89/96/556898996.db2.gz TWRNMSOTMXEMCE-UHFFFAOYSA-N 0 0 437.935 4.240 50 0 IIAARN Cc1cccn2c(CN[C@@H](C)c3nc(-c4ccccc4)no3)c(C(=O)N3CCCCC3)nc12 ZINC000019787414 556914096 /nfs/dbraw/zinc/91/40/96/556914096.db2.gz QVJHCVUFVCNQSB-SFHVURJKSA-N 0 0 444.539 4.170 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(Cc4ccccc4OC)CC3)c(C)o2)c(F)c1 ZINC000019789430 556914598 /nfs/dbraw/zinc/91/45/98/556914598.db2.gz RHGXEBZCFCSSRF-UHFFFAOYSA-N 0 0 425.504 4.124 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019800194 556917404 /nfs/dbraw/zinc/91/74/04/556917404.db2.gz PWGBWCOSZFJMHU-UHFFFAOYSA-N 0 0 436.577 4.100 50 0 IIAARN Cc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821275 556924475 /nfs/dbraw/zinc/92/44/75/556924475.db2.gz PTDBISRYMZGYSV-UHFFFAOYSA-N 0 0 430.851 4.391 50 0 IIAARN CCc1nn2c(nnc3c2ccn(-c2ccc(OC)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821568 556924709 /nfs/dbraw/zinc/92/47/09/556924709.db2.gz RKABWGAVZKHBNR-UHFFFAOYSA-N 0 0 431.883 4.320 50 0 IIAARN O=C1NN=C(CSc2nnc(SCc3ccc(F)cc3)s2)Oc2ccccc21 ZINC000019829417 556926191 /nfs/dbraw/zinc/92/61/91/556926191.db2.gz NMXFGOUSVXCWGR-UHFFFAOYSA-N 0 0 432.527 4.198 50 0 IIAARN CCN1CCc2nc3sc(C(=O)Nc4ccccc4OC(F)(F)F)c(N)c3cc2C1 ZINC000019853405 556931171 /nfs/dbraw/zinc/93/11/71/556931171.db2.gz POOWTMLWOMWRTI-UHFFFAOYSA-N 0 0 436.459 4.407 50 0 aggregator IIAARN COc1cccc(CC(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000019880016 556936859 /nfs/dbraw/zinc/93/68/59/556936859.db2.gz WAFZQDSBHBOBCQ-UHFFFAOYSA-N 0 0 427.854 4.090 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 ZINC000019898507 556941098 /nfs/dbraw/zinc/94/10/98/556941098.db2.gz ORKTXXHNIHTKQK-SFHVURJKSA-N 0 0 430.766 4.326 50 0 IIAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1Br ZINC000020003411 556957720 /nfs/dbraw/zinc/95/77/20/556957720.db2.gz OLRXLJJFAHKWAA-UHFFFAOYSA-N 0 0 425.710 4.200 50 0 IIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)n2)c1 ZINC000020016678 556962461 /nfs/dbraw/zinc/96/24/61/556962461.db2.gz HWNAZKWFQUIDIZ-HNNXBMFYSA-N 0 0 441.578 4.390 50 0 IIAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2cc(C)sc2C)cc1OC ZINC000020038999 556971203 /nfs/dbraw/zinc/97/12/03/556971203.db2.gz JPGDPCXQLHRKSO-UHFFFAOYSA-N 0 0 443.477 4.267 50 0 IIAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000020045445 556973090 /nfs/dbraw/zinc/97/30/90/556973090.db2.gz ASBQWSVZCLFNOY-UHFFFAOYSA-N 0 0 434.483 4.365 50 0 IIAARN Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000033265030 556975023 /nfs/dbraw/zinc/97/50/23/556975023.db2.gz HZJKWVBJZCBMOS-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1 ZINC000033265095 556975027 /nfs/dbraw/zinc/97/50/27/556975027.db2.gz RHWINSMOIACBFD-UHFFFAOYSA-N 0 0 426.517 4.272 50 0 IIAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000096989023 556978371 /nfs/dbraw/zinc/97/83/71/556978371.db2.gz YJLJTMHULWJGEY-UHFFFAOYSA-N 0 0 443.956 4.352 50 0 IIAARN CCCn1ccnc1SCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000011233941 556978541 /nfs/dbraw/zinc/97/85/41/556978541.db2.gz YTAYQURODMSIHC-UHFFFAOYSA-N 0 0 431.949 4.280 50 0 IIAARN COc1cc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc(OC)c1 ZINC000020095703 556979476 /nfs/dbraw/zinc/97/94/76/556979476.db2.gz BWJBUQIBLTZUFP-QGZVFWFLSA-N 0 0 447.535 4.314 50 0 IIAARN Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072427721 556979829 /nfs/dbraw/zinc/97/98/29/556979829.db2.gz GZQAEKZMNHXGTJ-KRWDZBQOSA-N 0 0 442.562 4.027 50 0 IIAARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000020103537 556981111 /nfs/dbraw/zinc/98/11/11/556981111.db2.gz MLKGXNKOCGIHKX-HXUWFJFHSA-N 0 0 431.883 4.201 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1Cl ZINC000097096299 556984386 /nfs/dbraw/zinc/98/43/86/556984386.db2.gz LVDGIYFNLYXRJB-INIZCTEOSA-N 0 0 442.928 4.289 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2cccc(Cl)c2)C1 ZINC000097105750 556987870 /nfs/dbraw/zinc/98/78/70/556987870.db2.gz XUDYIJWIVSMBCX-IBGZPJMESA-N 0 0 443.912 4.296 50 0 IIAARN COc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc(OC)c1OC ZINC000020137432 556988752 /nfs/dbraw/zinc/98/87/52/556988752.db2.gz KWDSFUJTXMBZDE-UHFFFAOYSA-N 0 0 433.258 4.382 50 0 IIAARN CCn1c(C2CCN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)n[nH]c1=S ZINC000097164658 556994640 /nfs/dbraw/zinc/99/46/40/556994640.db2.gz HIQCODHIAYJXQN-UHFFFAOYSA-N 0 0 436.532 4.250 50 0 IIAARN CCC(=O)C(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000077555476 556999991 /nfs/dbraw/zinc/99/99/91/556999991.db2.gz NZCNIVSAKDSOPS-QFIPXVFZSA-N 0 0 426.516 4.119 50 0 IIAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000020256864 557003620 /nfs/dbraw/zinc/00/36/20/557003620.db2.gz XACOAXWRIKAULA-HNNXBMFYSA-N 0 0 429.615 4.401 50 0 IIAARN CC(=O)c1cccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020310955 557007326 /nfs/dbraw/zinc/00/73/26/557007326.db2.gz IBKIPBGFDVUTER-UHFFFAOYSA-N 0 0 449.937 4.127 50 0 IIAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072453357 557009636 /nfs/dbraw/zinc/00/96/36/557009636.db2.gz NERZOUUZJJQBKI-KRWDZBQOSA-N 0 0 444.413 4.237 50 0 IIAARN COC(=O)/C=C\c1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000098004206 557012532 /nfs/dbraw/zinc/01/25/32/557012532.db2.gz OYMFHSQZHPNVPY-PTJCHJMSSA-N 0 0 434.286 4.050 50 0 IIAARN CC(C)[C@@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N1CCCC1 ZINC000096999153 557013027 /nfs/dbraw/zinc/01/30/27/557013027.db2.gz HOWUIORKFNICPM-MRXNPFEDSA-N 0 0 427.726 4.388 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)N3CCc4ccccc4C3)cc(C)c12 ZINC000045991843 557017341 /nfs/dbraw/zinc/01/73/41/557017341.db2.gz YJVFHCDWFKSJBV-LJQANCHMSA-N 0 0 426.520 4.390 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)N3CCc4ccccc4C3)cc(C)c12 ZINC000045991841 557017408 /nfs/dbraw/zinc/01/74/08/557017408.db2.gz YJVFHCDWFKSJBV-IBGZPJMESA-N 0 0 426.520 4.390 50 0 IIAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)NCCc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045992553 557018187 /nfs/dbraw/zinc/01/81/87/557018187.db2.gz UHUVNMHGQUREHD-GFCCVEGCSA-N 0 0 440.853 4.075 50 0 IIAARN Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000010696266 557018904 /nfs/dbraw/zinc/01/89/04/557018904.db2.gz LRGOTMQWSBNCFQ-HSZRJFAPSA-N 0 0 425.532 4.463 50 0 IIAARN O=C(CCn1cnc2sccc2c1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010700720 557019127 /nfs/dbraw/zinc/01/91/27/557019127.db2.gz JTOOOMLAOKVGHI-HXUWFJFHSA-N 0 0 442.544 4.278 50 0 IIAARN Cc1nn(CCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004474 557019401 /nfs/dbraw/zinc/01/94/01/557019401.db2.gz WOHHCPPCELYOMK-UHFFFAOYSA-N 0 0 446.617 4.073 50 0 IIAARN CCOC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000032943511 557020006 /nfs/dbraw/zinc/02/00/06/557020006.db2.gz FIHVIASUQUQBMO-UHFFFAOYSA-N 0 0 435.501 4.165 50 0 IIAARN CCc1cc(OCC(=O)NCc2ccc(F)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017036 557020149 /nfs/dbraw/zinc/02/01/49/557020149.db2.gz LKPYKWVWIFXFMZ-UHFFFAOYSA-N 0 0 432.499 4.434 50 0 IIAARN COc1ccc(CCN2C(=O)O[C@H](c3ccc(OC)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427217 557021041 /nfs/dbraw/zinc/02/10/41/557021041.db2.gz BMGZPSGFNQOESX-RSXGOPAZSA-N 0 0 449.503 4.294 50 0 IIAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2cccs2)cc1 ZINC000046020722 557021013 /nfs/dbraw/zinc/02/10/13/557021013.db2.gz FBKLNHDRJAZYJK-UHFFFAOYSA-N 0 0 427.917 4.312 50 0 IIAARN Clc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccc6)CC5)n3n2)CCC4)cc1 ZINC000046022910 557022571 /nfs/dbraw/zinc/02/25/71/557022571.db2.gz ASUGAGWZSZVLKV-UHFFFAOYSA-N 0 0 444.970 4.184 50 0 IIAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1ccccc1Cl ZINC000046031526 557024354 /nfs/dbraw/zinc/02/43/54/557024354.db2.gz FRCHXHYMZXSUDR-UHFFFAOYSA-N 0 0 444.929 4.136 50 0 IIAARN Cc1ccn2c(=O)cc(CSc3nnc(NC(=O)c4ccc(Cl)cc4)s3)nc2c1 ZINC000046031576 557024477 /nfs/dbraw/zinc/02/44/77/557024477.db2.gz SNKUCESLWQNACQ-UHFFFAOYSA-N 0 0 443.941 4.052 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)CC2)c1C ZINC000046043774 557025144 /nfs/dbraw/zinc/02/51/44/557025144.db2.gz IKXJUZOKWZDDEL-NRFANRHFSA-N 0 0 439.987 4.158 50 0 IIAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153803 557028740 /nfs/dbraw/zinc/02/87/40/557028740.db2.gz YKDMBWDCRFYHJS-UHFFFAOYSA-N 0 0 435.549 4.056 50 0 IIAARN COc1cccc(OC)c1C(=O)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000046057863 557029146 /nfs/dbraw/zinc/02/91/46/557029146.db2.gz LPEJLPTUCZIDNU-OAHLLOKOSA-N 0 0 425.872 4.160 50 0 IIAARN COc1cccc(OC)c1C(=O)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000046057743 557029158 /nfs/dbraw/zinc/02/91/58/557029158.db2.gz ZOJREZPXVYRLDV-OAHLLOKOSA-N 0 0 425.872 4.160 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)ccc1OCC(N)=O ZINC000046076073 557032511 /nfs/dbraw/zinc/03/25/11/557032511.db2.gz HCKZPOLMOCEQEB-QGZVFWFLSA-N 0 0 436.533 4.460 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc(Cl)c2C)c1=O ZINC000046079301 557034076 /nfs/dbraw/zinc/03/40/76/557034076.db2.gz LIFSUOJEJIABMI-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)s2)cc1 ZINC000046122976 557036547 /nfs/dbraw/zinc/03/65/47/557036547.db2.gz ARQWPUPVPCWCMR-KRWDZBQOSA-N 0 0 438.528 4.187 50 0 IIAARN O=C(Cc1ccccc1)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122877 557036567 /nfs/dbraw/zinc/03/65/67/557036567.db2.gz CMSVPYRQMVOVHW-INIZCTEOSA-N 0 0 440.956 4.393 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3ccccc3)C2)s1 ZINC000046123498 557037112 /nfs/dbraw/zinc/03/71/12/557037112.db2.gz YYCSKRQRFHPZIZ-HNNXBMFYSA-N 0 0 426.929 4.464 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123577 557037201 /nfs/dbraw/zinc/03/72/01/557037201.db2.gz NHYLTAJCJLHECO-MRXNPFEDSA-N 0 0 436.537 4.209 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123574 557037206 /nfs/dbraw/zinc/03/72/06/557037206.db2.gz NHYLTAJCJLHECO-INIZCTEOSA-N 0 0 436.537 4.209 50 0 IIAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000017286863 557045081 /nfs/dbraw/zinc/04/50/81/557045081.db2.gz UPDUBZHAVVZULA-UHFFFAOYSA-N 0 0 437.359 4.194 50 0 IIAARN COc1cccc(Nc2nn(CN3CCN(Cc4ccsc4)CC3)c(=S)s2)c1 ZINC000022921846 557047832 /nfs/dbraw/zinc/04/78/32/557047832.db2.gz GLYFUUYPSSJPTI-UHFFFAOYSA-N 0 0 433.628 4.263 50 0 IIAARN CCCCCN(CC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000004732123 557048942 /nfs/dbraw/zinc/04/89/42/557048942.db2.gz ZMVAMOHYKJJPGD-UHFFFAOYSA-N 0 0 428.573 4.215 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000017272608 557049439 /nfs/dbraw/zinc/04/94/39/557049439.db2.gz ZXGYYHAHQPBNDG-UHFFFAOYSA-N 0 0 442.566 4.173 50 0 IIAARN COc1ccccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271787 557050086 /nfs/dbraw/zinc/05/00/86/557050086.db2.gz CHCUHIQPBBBENF-UHFFFAOYSA-N 0 0 431.349 4.210 50 0 IIAARN Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)c1 ZINC000022931533 557050149 /nfs/dbraw/zinc/05/01/49/557050149.db2.gz ORFQVAUXIKFRIJ-KRWDZBQOSA-N 0 0 439.947 4.016 50 0 IIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C(=O)N3CCCC3)c3ccccc3)c12 ZINC000048287367 557053243 /nfs/dbraw/zinc/05/32/43/557053243.db2.gz NFMCQWTYWGQAME-QHCPKHFHSA-N 0 0 440.503 4.292 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn43)CC2)o1 ZINC000033275041 557053672 /nfs/dbraw/zinc/05/36/72/557053672.db2.gz JEYHVCOGJBZXIJ-UHFFFAOYSA-N 0 0 447.514 4.278 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000048276002 557056312 /nfs/dbraw/zinc/05/63/12/557056312.db2.gz XFAUQSPWDUIBFF-UHFFFAOYSA-N 0 0 446.482 4.116 50 0 IIAARN O=C(OCc1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000082048556 557056389 /nfs/dbraw/zinc/05/63/89/557056389.db2.gz CVHUWFLTKKZKSQ-DFBJGRDBSA-N 0 0 443.499 4.114 50 0 IIAARN COc1cc(OC)cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)c1 ZINC000033276405 557056681 /nfs/dbraw/zinc/05/66/81/557056681.db2.gz BRIGWXLEISUMNP-UHFFFAOYSA-N 0 0 437.477 4.222 50 0 IIAARN Cc1ccc(N(Cc2ccco2)C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000023016172 557057848 /nfs/dbraw/zinc/05/78/48/557057848.db2.gz NCFNRYDXEZXKEK-UHFFFAOYSA-N 0 0 443.429 4.437 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCc5ccccc5C4)cc3C2=O)cc1 ZINC000017321840 557058188 /nfs/dbraw/zinc/05/81/88/557058188.db2.gz PUBDNCIFTULDFH-UHFFFAOYSA-N 0 0 426.472 4.084 50 0 IIAARN CCOc1ccc(CN(C)C(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000048286529 557058393 /nfs/dbraw/zinc/05/83/93/557058393.db2.gz MMAYIJMEEKZXAK-GKWUYRECSA-N 0 0 426.601 4.401 50 0 IIAARN CCN(CC)Cc1nc(C2(NC(=O)COc3ccc(Cl)cc3Cl)CCCC2)no1 ZINC000048308876 557059591 /nfs/dbraw/zinc/05/95/91/557059591.db2.gz RBIACBGXMWSNDY-UHFFFAOYSA-N 0 0 441.359 4.183 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)c3cc4cc(Br)ccc4o3)ccc2N1S(C)(=O)=O ZINC000023074858 557061754 /nfs/dbraw/zinc/06/17/54/557061754.db2.gz 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O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048333688 557068532 /nfs/dbraw/zinc/06/85/32/557068532.db2.gz BTRPYNNFFPRZGN-MRXNPFEDSA-N 0 0 438.494 4.172 50 0 IIAARN COC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2)o1 ZINC000023161567 557070526 /nfs/dbraw/zinc/07/05/26/557070526.db2.gz QNIQVMFQPHZKFU-UHFFFAOYSA-N 0 0 437.876 4.250 50 0 IIAARN Cc1cc(-c2csc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)on1 ZINC000033290245 557072331 /nfs/dbraw/zinc/07/23/31/557072331.db2.gz JDCLMEOFIVXPDE-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccc(F)cc5)no4)c3C)c(C)o2)cc1 ZINC000033296927 557072899 /nfs/dbraw/zinc/07/28/99/557072899.db2.gz XTAZBTPDIGRVRG-UHFFFAOYSA-N 0 0 446.442 4.463 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CCOc2ccc(COCc3ccccc3)cc2C1 ZINC000033297493 557073179 /nfs/dbraw/zinc/07/31/79/557073179.db2.gz GBEULEPARSQELH-UHFFFAOYSA-N 0 0 427.497 4.126 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010885703 557074248 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Cc1ccc2c(=O)c(C(=O)Nc3ccc(Cl)cc3)cn(CC(=O)Nc3ccccc3)c2n1 ZINC000049002061 557081660 /nfs/dbraw/zinc/08/16/60/557081660.db2.gz CALFSBVBKBBAJU-UHFFFAOYSA-N 0 0 446.894 4.249 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NC2CCCCCCC2)cc1 ZINC000048986210 557082336 /nfs/dbraw/zinc/08/23/36/557082336.db2.gz YZLVOIIVCVEOPM-UHFFFAOYSA-N 0 0 436.599 4.425 50 0 IIAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000033300596 557082424 /nfs/dbraw/zinc/08/24/24/557082424.db2.gz FFQYSDCIVQUQNN-UHFFFAOYSA-N 0 0 431.492 4.409 50 0 IIAARN COc1ccc(C2=NN(C(=O)COC(=O)c3c[nH]c4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000023298046 557082973 /nfs/dbraw/zinc/08/29/73/557082973.db2.gz PHFCJLXUZLIMAJ-QFIPXVFZSA-N 0 0 443.459 4.304 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)s1 ZINC000033303172 557083888 /nfs/dbraw/zinc/08/38/88/557083888.db2.gz CZDYHRRWFXDBQM-QPJJXVBHSA-N 0 0 439.465 4.252 50 0 IIAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)n3C(C)C)no1 ZINC000033306776 557086078 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COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000011458679 557150917 /nfs/dbraw/zinc/15/09/17/557150917.db2.gz UDXZJJRHGBLKBA-UHFFFAOYSA-N 0 0 426.900 4.437 50 0 IIAARN Cc1nc(SCC(=O)c2ccc(Br)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000016400685 557151078 /nfs/dbraw/zinc/15/10/78/557151078.db2.gz WDZRFVDDYQVCHJ-UHFFFAOYSA-N 0 0 429.339 4.407 50 0 IIAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)CSc2nnc(NC3CCCCC3)s2)c1 ZINC000011467314 557151774 /nfs/dbraw/zinc/15/17/74/557151774.db2.gz WFFUXXFSVKMTND-CQSZACIVSA-N 0 0 434.587 4.254 50 0 IIAARN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608293 557153927 /nfs/dbraw/zinc/15/39/27/557153927.db2.gz XZYICPRHUDSXDN-UHFFFAOYSA-N 0 0 427.010 4.111 50 0 IIAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612779 557155504 /nfs/dbraw/zinc/15/55/04/557155504.db2.gz WOIUDJSVYIAQAQ-UHFFFAOYSA-N 0 0 426.513 4.159 50 0 IIAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024613475 557155732 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IIAARN Cc1c2cnn(CC(=O)NCc3ccc(C)cc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000008611187 562958398 /nfs/dbraw/zinc/95/83/98/562958398.db2.gz MEBGMOXQXKALEV-UHFFFAOYSA-N 0 0 448.954 4.141 50 0 IIAARN COc1cc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)cc(OC)c1 ZINC000008611486 562958640 /nfs/dbraw/zinc/95/86/40/562958640.db2.gz KGCJQRMYEHTFMN-UHFFFAOYSA-N 0 0 433.512 4.100 50 0 IIAARN Cc1ccc(-c2noc(CNC(=O)COc3cc(C)c(Br)c(C)c3)n2)cc1 ZINC000008612377 562959147 /nfs/dbraw/zinc/95/91/47/562959147.db2.gz OVFHUTZPBHMIJD-UHFFFAOYSA-N 0 0 430.302 4.120 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccccc2Cl)cc1 ZINC000008612708 562959251 /nfs/dbraw/zinc/95/92/51/562959251.db2.gz SIUUOYVFNYBHCX-UHFFFAOYSA-N 0 0 428.901 4.349 50 0 aggregator IIAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000008612920 562959307 /nfs/dbraw/zinc/95/93/07/562959307.db2.gz KDEYRTCQFYWDSX-UHFFFAOYSA-N 0 0 435.476 4.075 50 0 biogenic IIAARN CCN1c2ccc(C)cc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000008612926 562959313 /nfs/dbraw/zinc/95/93/13/562959313.db2.gz TUGFZCJZJPWBMN-JOCHJYFZSA-N 0 0 439.515 4.396 50 0 IIAARN CC(C)Cn1c2nnc(CCCC(=O)Nc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000008618995 562959711 /nfs/dbraw/zinc/95/97/11/562959711.db2.gz AGHBVXBMYRSSNP-UHFFFAOYSA-N 0 0 443.960 4.377 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1 ZINC000008626987 562960058 /nfs/dbraw/zinc/96/00/58/562960058.db2.gz UQRWQQYZTSECPU-UHFFFAOYSA-N 0 0 428.539 4.124 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1 ZINC000008626989 562960070 /nfs/dbraw/zinc/96/00/70/562960070.db2.gz JRXKLVQHGRGRJJ-UHFFFAOYSA-N 0 0 428.539 4.124 50 0 IIAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008671944 562960993 /nfs/dbraw/zinc/96/09/93/562960993.db2.gz UTSLQCHHGMJMDJ-XMMPIXPASA-N 0 0 448.475 4.208 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000008680412 562961559 /nfs/dbraw/zinc/96/15/59/562961559.db2.gz FKKUQQDCWQLGOI-QGZVFWFLSA-N 0 0 427.595 4.390 50 0 IIAARN 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562971510 /nfs/dbraw/zinc/97/15/10/562971510.db2.gz DPCLCYZYESDOIR-UHFFFAOYSA-N 0 0 433.895 4.428 50 0 IIAARN COc1cc(C(=O)NCc2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000009492462 562972167 /nfs/dbraw/zinc/97/21/67/562972167.db2.gz ONGXIGNIUXBURD-UHFFFAOYSA-N 0 0 427.298 4.362 50 0 IIAARN COc1cc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc(OC)c1OC ZINC000009645480 562974746 /nfs/dbraw/zinc/97/47/46/562974746.db2.gz ROZQJLLTASAMNT-UHFFFAOYSA-N 0 0 426.494 4.220 50 0 IIAARN CCN(C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1CCCCC1 ZINC000009684080 562975502 /nfs/dbraw/zinc/97/55/02/562975502.db2.gz CJURRKDEXAGGOB-MHZLTWQESA-N 0 0 447.579 4.280 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(OC)ccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000009835732 562977309 /nfs/dbraw/zinc/97/73/09/562977309.db2.gz YRNZCHRCKYQTJB-DNQXCXABSA-N 0 0 446.503 4.262 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2)c1 ZINC000009931521 562977817 /nfs/dbraw/zinc/97/78/17/562977817.db2.gz QURGFNYPNUZDMG-INIZCTEOSA-N 0 0 426.460 4.210 50 0 IIAARN C[C@H](Cc1ccccc1)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000009971121 562978144 /nfs/dbraw/zinc/97/81/44/562978144.db2.gz AEIPBBCXMJIOKZ-OAHLLOKOSA-N 0 0 449.561 4.215 50 0 IIAARN CN(CCOc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012985156 562983769 /nfs/dbraw/zinc/98/37/69/562983769.db2.gz LYZGQYWKOVLHDS-UHFFFAOYSA-N 0 0 435.351 4.383 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCSc1ccc(F)cc1 ZINC000013011978 562984078 /nfs/dbraw/zinc/98/40/78/562984078.db2.gz YGNGWRKMLKGQQD-UHFFFAOYSA-N 0 0 439.350 4.476 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000015942624 563019661 /nfs/dbraw/zinc/01/96/61/563019661.db2.gz IXNOFPXGSKSKJH-UHFFFAOYSA-N 0 0 436.535 4.288 50 0 IIAARN CCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)cc1 ZINC000040058086 563099390 /nfs/dbraw/zinc/09/93/90/563099390.db2.gz FYFNGOKRLTZWNW-UHFFFAOYSA-N 0 0 440.477 4.123 50 0 IIAARN C[C@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000085997929 563180003 /nfs/dbraw/zinc/18/00/03/563180003.db2.gz RAGAQGITTWHNKI-PGRDOPGGSA-N 0 0 425.623 4.487 50 0 IIAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000925359 568637847 /nfs/dbraw/zinc/63/78/47/568637847.db2.gz ZZOOTVQJDRUPIY-UHFFFAOYSA-N 0 0 443.960 4.497 50 0 IIAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000019078374 568638005 /nfs/dbraw/zinc/63/80/05/568638005.db2.gz GDZWTOCHAOKFJT-UHFFFAOYSA-N 0 0 431.473 4.026 50 0 IIAARN COC(=O)c1ccccc1N1C(=O)C(Sc2ccc(C)cc2)=C(N2CCCCC2)C1=O ZINC000000956208 568645717 /nfs/dbraw/zinc/64/57/17/568645717.db2.gz VWZKYRXFAIFRJZ-UHFFFAOYSA-N 0 0 436.533 4.145 50 0 IIAARN CCOc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)ccc1OCc1ccc(Cl)cc1 ZINC000000956987 568646098 /nfs/dbraw/zinc/64/60/98/568646098.db2.gz JBBKXJYGLOOPOU-HXUWFJFHSA-N 0 0 446.956 4.284 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000000959679 568646433 /nfs/dbraw/zinc/64/64/33/568646433.db2.gz YNVBXDUJPVJVAS-UHFFFAOYSA-N 0 0 447.878 4.383 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001018508 568651160 /nfs/dbraw/zinc/65/11/60/568651160.db2.gz QPKNECRJUOJHNR-UHFFFAOYSA-N 0 0 426.513 4.272 50 0 IIAARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001070696 568654948 /nfs/dbraw/zinc/65/49/48/568654948.db2.gz QGLWOTAFDMAYHM-LJQANCHMSA-N 0 0 438.281 4.066 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(Br)cc21 ZINC000001075008 568656499 /nfs/dbraw/zinc/65/64/99/568656499.db2.gz WPRNUSMUHXTNAN-UHFFFAOYSA-N 0 0 437.359 4.077 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21 ZINC000001072173 568657767 /nfs/dbraw/zinc/65/77/67/568657767.db2.gz BDNFMUANMSXLFI-UHFFFAOYSA-N 0 0 442.459 4.213 50 0 IIAARN COc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000001100391 568657951 /nfs/dbraw/zinc/65/79/51/568657951.db2.gz HOZXKCLMFTXICZ-UHFFFAOYSA-N 0 0 443.521 4.026 50 0 IIAARN COc1cc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000001098798 568658729 /nfs/dbraw/zinc/65/87/29/568658729.db2.gz IIZLRSXXKFJGLX-HSZRJFAPSA-N 0 0 440.521 4.028 50 0 IIAARN COc1ccccc1OCC(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001103593 568660232 /nfs/dbraw/zinc/66/02/32/568660232.db2.gz BABNONFVYBCCQU-UHFFFAOYSA-N 0 0 425.506 4.113 50 0 IIAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001104404 568660629 /nfs/dbraw/zinc/66/06/29/568660629.db2.gz LANAMKFJBDRFRV-OAQYLSRUSA-N 0 0 436.899 4.336 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc(OCC)c(Cl)c1 ZINC000001156316 568663864 /nfs/dbraw/zinc/66/38/64/568663864.db2.gz FNPQWFKGZZQVFD-UHFFFAOYSA-N 0 0 425.890 4.324 50 0 IIAARN O=C1Nc2ccc([C@@]3(Cc4ccccn4)C(=O)Nc4ccccc43)cc2/C1=C\c1ccccn1 ZINC000211086181 568703992 /nfs/dbraw/zinc/70/39/92/568703992.db2.gz FZBZNYQJUGHYJV-KUMKHWPZSA-N 0 0 444.494 4.450 50 0 IIAARN Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490553 568734114 /nfs/dbraw/zinc/73/41/14/568734114.db2.gz HAOSMFNLSUBQJO-UHFFFAOYSA-N 0 0 428.317 4.328 50 0 IIAARN CCC(CC)c1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)s1 ZINC000025578637 568736313 /nfs/dbraw/zinc/73/63/13/568736313.db2.gz WSGHRCFGMZMRHM-UHFFFAOYSA-N 0 0 430.983 4.034 50 0 IIAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1cccc(O)c1 ZINC000006028403 568740451 /nfs/dbraw/zinc/74/04/51/568740451.db2.gz MEIJEZUICHHGJL-UHFFFAOYSA-N 0 0 443.894 4.445 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4c[nH]c5ccccc54)o3)ccc21 ZINC000031685505 568741690 /nfs/dbraw/zinc/74/16/90/568741690.db2.gz LQVRYNNHHYHSOD-CYBMUJFWSA-N 0 0 432.505 4.490 50 0 IIAARN COc1ccc(N2C(=S)N[C@@H](c3ccsc3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000012539189 568742968 /nfs/dbraw/zinc/74/29/68/568742968.db2.gz NPACBUUDPASABI-IBGZPJMESA-N 0 0 432.567 4.427 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C[C@@H](C)O1 ZINC000003203350 568742975 /nfs/dbraw/zinc/74/29/75/568742975.db2.gz FATJCWCTJMKWIW-CHWSQXEVSA-N 0 0 443.352 4.044 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NCc3ccco3)cc12 ZINC000003218257 568743198 /nfs/dbraw/zinc/74/31/98/568743198.db2.gz XZGWBMJTSMIRLC-UHFFFAOYSA-N 0 0 429.885 4.115 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2nc3ccccc3s2)s1)Nc1ccccc1F ZINC000043939674 568743701 /nfs/dbraw/zinc/74/37/01/568743701.db2.gz BCNVVLMKEDUSLE-UHFFFAOYSA-N 0 0 445.526 4.270 50 0 IIAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(I)cc1 ZINC000003259945 568744294 /nfs/dbraw/zinc/74/42/94/568744294.db2.gz DKCFWVHSNLTISX-UHFFFAOYSA-N 0 0 449.166 4.106 50 0 IIAARN CC(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000003283195 568744977 /nfs/dbraw/zinc/74/49/77/568744977.db2.gz RMTSUSZTRJKINL-UHFFFAOYSA-N 0 0 445.386 4.373 50 0 IIAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000044224812 568749991 /nfs/dbraw/zinc/74/99/91/568749991.db2.gz MZXLTBIBICARPX-UHFFFAOYSA-N 0 0 447.520 4.365 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003483562 568750213 /nfs/dbraw/zinc/75/02/13/568750213.db2.gz SBMNHSMJLCGRLH-UHFFFAOYSA-N 0 0 433.530 4.232 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000003501893 568750384 /nfs/dbraw/zinc/75/03/84/568750384.db2.gz MTVQDBISNINHHL-UHFFFAOYSA-N 0 0 447.535 4.301 50 0 IIAARN CCN1C(=O)C(=Cc2cc(OC)c(OCc3ccccc3)cc2Br)NC1=S ZINC000003659486 568752876 /nfs/dbraw/zinc/75/28/76/568752876.db2.gz KAOFRYWZXMWQPL-SXGWCWSVSA-N 0 0 447.354 4.114 50 0 IIAARN O=C(Cc1cccs1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(F)cccc2Cl)C1 ZINC000299778593 568756970 /nfs/dbraw/zinc/75/69/70/568756970.db2.gz HMUFSZNDLRJZOH-QRWLVFNGSA-N 0 0 434.964 4.165 50 0 IIAARN CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)[C@H]1CC13CCCC3)CCO2 ZINC000299779983 568756983 /nfs/dbraw/zinc/75/69/83/568756983.db2.gz LQCHAJRJNHLCBE-JOCHJYFZSA-N 0 0 434.584 4.220 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccccc2)CCN(C(=O)c2ccccc2)[C@@H]2[C@H]1C2(Cl)Cl ZINC000299804302 568758145 /nfs/dbraw/zinc/75/81/45/568758145.db2.gz RCYHPNSOHVPTPQ-KNKQGSTJSA-N 0 0 432.347 4.497 50 0 IIAARN CCC(CC)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1C ZINC000004036140 568759629 /nfs/dbraw/zinc/75/96/29/568759629.db2.gz PQRXUALFDGDODL-JOCHJYFZSA-N 0 0 427.570 4.480 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000015391256 568761587 /nfs/dbraw/zinc/76/15/87/568761587.db2.gz ANEUGYPFABCFFK-FQEVSTJZSA-N 0 0 430.570 4.391 50 0 IIAARN Cn1c(=N)n(CC(=O)c2ccc(Br)cc2)cc1-c1ccc(Br)cc1 ZINC000334157522 568762169 /nfs/dbraw/zinc/76/21/69/568762169.db2.gz GDBBTJNBVNUBNN-UHFFFAOYSA-N 0 0 449.146 4.381 50 0 IIAARN CC[C@]1(C)Cc2c(sc3nc(S[C@H](C)C(=O)OC)n(-c4ccccc4)c(=O)c32)CO1 ZINC000001302349 568779010 /nfs/dbraw/zinc/77/90/10/568779010.db2.gz DBDYWNDDMXPMDX-MCMMXHMISA-N 0 0 444.578 4.342 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1cc(Cl)ccc1Cl ZINC000001321001 568779981 /nfs/dbraw/zinc/77/99/81/568779981.db2.gz HNYDOANFTJLDRF-UHFFFAOYSA-N 0 0 431.304 4.466 50 0 IIAARN CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)C1=O ZINC000032100432 568780340 /nfs/dbraw/zinc/78/03/40/568780340.db2.gz NPYUVKCUPNZDKB-HXUWFJFHSA-N 0 0 428.370 4.025 50 0 IIAARN O=S(=O)(c1ccccc1)[C@@H](CCc1nnc[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000001388192 568784610 /nfs/dbraw/zinc/78/46/10/568784610.db2.gz XYHQCXUIBOPHIQ-AWEZNQCLSA-N 0 0 430.839 4.020 50 0 IIAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000001387432 568784781 /nfs/dbraw/zinc/78/47/81/568784781.db2.gz XHBABKMECMKZLV-UHFFFAOYSA-N 0 0 436.867 4.452 50 0 IIAARN CCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000001396046 568785979 /nfs/dbraw/zinc/78/59/79/568785979.db2.gz KRTZTVFBBPPTKW-CYBMUJFWSA-N 0 0 440.443 4.162 50 0 IIAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1cccc(Cl)c1 ZINC000046031522 568786567 /nfs/dbraw/zinc/78/65/67/568786567.db2.gz HLJMTQFNGCAPHX-UHFFFAOYSA-N 0 0 444.929 4.136 50 0 IIAARN CCOC(=O)c1nn2c(nc(-c3ccc(OC)c(OC)c3)cc2C(F)(F)F)c1Cl ZINC000004181765 568786960 /nfs/dbraw/zinc/78/69/60/568786960.db2.gz XZQFXGPUPCURSA-UHFFFAOYSA-N 0 0 429.782 4.262 50 0 IIAARN CCOC(=O)c1csc(-n2nc(-c3ccc(OC(C)=O)cc3)cc2C(F)(F)F)n1 ZINC000001413633 568790091 /nfs/dbraw/zinc/79/00/91/568790091.db2.gz WZFFYFQHKUJEBE-UHFFFAOYSA-N 0 0 425.388 4.117 50 0 IIAARN COc1ccc([C@H]2OC(=O)N(Cc3cccc(OC)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422854 568793370 /nfs/dbraw/zinc/79/33/70/568793370.db2.gz ATSHULCUNFIMPK-NOZRDPDXSA-N 0 0 435.476 4.251 50 0 IIAARN COc1ccc([C@H]2OC(=O)N(Cc3cccc(OC)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422856 568793402 /nfs/dbraw/zinc/79/34/02/568793402.db2.gz ATSHULCUNFIMPK-ILBGXUMGSA-N 0 0 435.476 4.251 50 0 IIAARN Cc1ccc(OCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c2c1[C@H](C)CC2=O ZINC000012752857 568795596 /nfs/dbraw/zinc/79/55/96/568795596.db2.gz AWRILULCWKWBBS-GOSISDBHSA-N 0 0 434.536 4.006 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccc3cc(OC)ccc3c2)c1 ZINC000015521244 568796490 /nfs/dbraw/zinc/79/64/90/568796490.db2.gz YMXKLJYSVFFEAL-UHFFFAOYSA-N 0 0 433.552 4.401 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000015541441 568797439 /nfs/dbraw/zinc/79/74/39/568797439.db2.gz SSKMUTDRADPPQS-LJQANCHMSA-N 0 0 443.594 4.304 50 0 IIAARN O=C(Nc1cc(C2CCOCC2)[nH]n1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000084372741 568797475 /nfs/dbraw/zinc/79/74/75/568797475.db2.gz UYGQXSWLLVQYHF-UHFFFAOYSA-N 0 0 438.488 4.004 50 0 IIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000084392650 568797735 /nfs/dbraw/zinc/79/77/35/568797735.db2.gz WLONAAQDTZHTNH-IBGZPJMESA-N 0 0 449.780 4.480 50 0 IIAARN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(Cl)cc1 ZINC000084752780 568800867 /nfs/dbraw/zinc/80/08/67/568800867.db2.gz DJIPQBBFTFUKPH-QFIPXVFZSA-N 0 0 428.960 4.241 50 0 IIAARN CCCNc1ccc(F)cc1NCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000084756629 568801159 /nfs/dbraw/zinc/80/11/59/568801159.db2.gz VZMAMFCADAMDAN-UHFFFAOYSA-N 0 0 447.580 4.270 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032416222 568801505 /nfs/dbraw/zinc/80/15/05/568801505.db2.gz JYZLRUUDQSZVJN-ZDUSSCGKSA-N 0 0 444.354 4.070 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)cc1 ZINC000015670415 568801924 /nfs/dbraw/zinc/80/19/24/568801924.db2.gz BCQPTCHTRBYJBM-GOSISDBHSA-N 0 0 446.898 4.169 50 0 IIAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(F)cc2)n1 ZINC000015670573 568802523 /nfs/dbraw/zinc/80/25/23/568802523.db2.gz UWULPBWSDBIKCH-GOSISDBHSA-N 0 0 444.470 4.045 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000015672800 568803359 /nfs/dbraw/zinc/80/33/59/568803359.db2.gz LXOIUHGKPWZQFV-UUOWRZLLSA-N 0 0 443.613 4.325 50 0 IIAARN CCOCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675535 568803828 /nfs/dbraw/zinc/80/38/28/568803828.db2.gz WIPCMLNVTTVUTH-XMMPIXPASA-N 0 0 429.561 4.105 50 0 IIAARN COc1ccccc1/C=C1/N=C(SCC(=O)Nc2cc(C)on2)N(c2ccccc2)C1=O ZINC000001439849 568804596 /nfs/dbraw/zinc/80/45/96/568804596.db2.gz MYDSJDOIGXULHY-QGOAFFKASA-N 0 0 448.504 4.107 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000015678010 568804950 /nfs/dbraw/zinc/80/49/50/568804950.db2.gz KFOFVHRSDQYUIS-UHFFFAOYSA-N 0 0 433.489 4.008 50 0 IIAARN O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1cccc(Cl)c1 ZINC000015677891 568804998 /nfs/dbraw/zinc/80/49/98/568804998.db2.gz BTKMLTSQFKPTKZ-QFIPXVFZSA-N 0 0 435.911 4.298 50 0 IIAARN CCOc1ccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000015682055 568806940 /nfs/dbraw/zinc/80/69/40/568806940.db2.gz SCDBVHGIEVQGNV-UHFFFAOYSA-N 0 0 431.536 4.279 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000032514046 568812313 /nfs/dbraw/zinc/81/23/13/568812313.db2.gz DNXHQKZQOIASKK-UHFFFAOYSA-N 0 0 438.549 4.196 50 0 IIAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)CC1 ZINC000015731072 568813853 /nfs/dbraw/zinc/81/38/53/568813853.db2.gz BGDDGAMLGBOLML-UHFFFAOYSA-N 0 0 431.583 4.158 50 0 IIAARN O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccc(Br)cc1 ZINC000015734159 568815920 /nfs/dbraw/zinc/81/59/20/568815920.db2.gz DLSFVCKKWZTIMA-UHFFFAOYSA-N 0 0 448.342 4.318 50 0 IIAARN COc1ccc(-n2c(SCC(N)=O)nnc2-c2sc3ccccc3c2Cl)cc1 ZINC000001454338 568819198 /nfs/dbraw/zinc/81/91/98/568819198.db2.gz DIHJFJDGENYQRG-UHFFFAOYSA-N 0 0 430.942 4.388 50 0 IIAARN CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000015772132 568822602 /nfs/dbraw/zinc/82/26/02/568822602.db2.gz ABHKGZGJVGVUNE-UHFFFAOYSA-N 0 0 439.537 4.121 50 0 IIAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015776889 568823595 /nfs/dbraw/zinc/82/35/95/568823595.db2.gz ACLFWIDRHCNQPT-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000063648891 568823642 /nfs/dbraw/zinc/82/36/42/568823642.db2.gz VPGXQJNSEFNPDI-UHFFFAOYSA-N 0 0 446.572 4.452 50 0 IIAARN C[C@@H](CNC(=O)CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)c1ccccc1 ZINC000015776580 568823931 /nfs/dbraw/zinc/82/39/31/568823931.db2.gz SVZXVUBGLHODJP-KRWDZBQOSA-N 0 0 448.958 4.242 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 ZINC000015780863 568825156 /nfs/dbraw/zinc/82/51/56/568825156.db2.gz JLCQIUMEMXRBLW-IBGZPJMESA-N 0 0 435.954 4.355 50 0 IIAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cc(C)c(C)cc3C)n2n1 ZINC000015783885 568826607 /nfs/dbraw/zinc/82/66/07/568826607.db2.gz YQRNDAOLUSHBEB-UHFFFAOYSA-N 0 0 440.594 4.212 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)NCc1cccc(Br)c1 ZINC000085642952 568829308 /nfs/dbraw/zinc/82/93/08/568829308.db2.gz IRSGTTZVXZQBPM-UHFFFAOYSA-N 0 0 434.359 4.039 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000085712517 568835526 /nfs/dbraw/zinc/83/55/26/568835526.db2.gz GDKQTSWQAIPTOV-UHFFFAOYSA-N 0 0 444.553 4.409 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)c1C ZINC000085712665 568835619 /nfs/dbraw/zinc/83/56/19/568835619.db2.gz STEZIYGWCYLKOY-UHFFFAOYSA-N 0 0 444.528 4.338 50 0 IIAARN CCOc1ccc(CCNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1OCC ZINC000015786370 568836162 /nfs/dbraw/zinc/83/61/62/568836162.db2.gz BZFBBWBHVFUIBW-UHFFFAOYSA-N 0 0 446.341 4.381 50 0 IIAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000015832867 568842159 /nfs/dbraw/zinc/84/21/59/568842159.db2.gz ONHYUPDWNDUQHJ-FQEVSTJZSA-N 0 0 447.944 4.319 50 0 IIAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347269 568844098 /nfs/dbraw/zinc/84/40/98/568844098.db2.gz BPYSIBBIDTVCQX-YVWATLDISA-N 0 0 434.617 4.135 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccc(F)cc4)nnc23)cc1 ZINC000006148366 568846795 /nfs/dbraw/zinc/84/67/95/568846795.db2.gz NDJZRWAVRCDBDD-UHFFFAOYSA-N 0 0 447.495 4.217 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)N[C@@H](C)Cc4ccco4)CC3)[nH]c2c1 ZINC000015868662 568852245 /nfs/dbraw/zinc/85/22/45/568852245.db2.gz RRFMPYPZQRLIEE-DLBZAZTESA-N 0 0 437.540 4.005 50 0 IIAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000015882564 568857017 /nfs/dbraw/zinc/85/70/17/568857017.db2.gz MAADQSNEAAVTBB-QFIPXVFZSA-N 0 0 436.353 4.374 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000016009933 568862642 /nfs/dbraw/zinc/86/26/42/568862642.db2.gz FYEQJOPASNBIDX-SWLSCSKDSA-N 0 0 443.953 4.309 50 0 IIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000012937513 568867391 /nfs/dbraw/zinc/86/73/91/568867391.db2.gz ABKLJNJRMSFDPX-IBGZPJMESA-N 0 0 443.334 4.482 50 0 IIAARN COCCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 ZINC000012939877 568868916 /nfs/dbraw/zinc/86/89/16/568868916.db2.gz URNZRBQEDCQARY-INIZCTEOSA-N 0 0 436.537 4.307 50 0 IIAARN COc1cccc(CNC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000016047501 568868920 /nfs/dbraw/zinc/86/89/20/568868920.db2.gz MCJVUBZOJMXGHE-UHFFFAOYSA-N 0 0 430.917 4.308 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)Cc1nn(CC(C)C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000575443300 568869041 /nfs/dbraw/zinc/86/90/41/568869041.db2.gz JEQOZEVYYYSSOP-MZNJEOGPSA-N 0 0 445.567 4.375 50 0 IIAARN Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c(F)c1 ZINC000012941466 568869963 /nfs/dbraw/zinc/86/99/63/568869963.db2.gz DRZOJLXPWCWDPE-AREMUKBSSA-N 0 0 443.478 4.252 50 0 IIAARN COc1ccc(Br)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000012946197 568871061 /nfs/dbraw/zinc/87/10/61/568871061.db2.gz LQGIGRVUVBPEEW-UHFFFAOYSA-N 0 0 448.342 4.156 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c(C)s1 ZINC000012949836 568871791 /nfs/dbraw/zinc/87/17/91/568871791.db2.gz QQOYWIYZDQGVSX-UHFFFAOYSA-N 0 0 438.525 4.429 50 0 IIAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)c2cccs2)n1 ZINC000575611041 568878983 /nfs/dbraw/zinc/87/89/83/568878983.db2.gz TVYKZFVENOSNRF-CQSZACIVSA-N 0 0 445.488 4.028 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccccn1)c1ccccn1 ZINC000006251046 568880838 /nfs/dbraw/zinc/88/08/38/568880838.db2.gz PQYVUBWPBVAHKR-UHFFFAOYSA-N 0 0 436.537 4.020 50 0 IIAARN O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 ZINC000006244235 568880920 /nfs/dbraw/zinc/88/09/20/568880920.db2.gz WVIGKBKOBIPBNC-UHFFFAOYSA-N 0 0 426.469 4.029 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617244 568881726 /nfs/dbraw/zinc/88/17/26/568881726.db2.gz MZGVFMRECDXMJG-OAQYLSRUSA-N 0 0 446.931 4.476 50 0 IIAARN COc1cccc(OC)c1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000090593733 568889193 /nfs/dbraw/zinc/88/91/93/568889193.db2.gz JPDKHDUVCGTEQD-UHFFFAOYSA-N 0 0 425.485 4.458 50 0 IIAARN Cc1nc(NCCNC(=O)C(c2ccccc2)c2ccccc2)cc(Nc2ccccn2)n1 ZINC000090607919 568890651 /nfs/dbraw/zinc/89/06/51/568890651.db2.gz RYNXOXYTFWJZFA-UHFFFAOYSA-N 0 0 438.535 4.284 50 0 IIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3nccnc3c2)cc1 ZINC000032815406 568896199 /nfs/dbraw/zinc/89/61/99/568896199.db2.gz VCFUCTWVAYGLKT-XMMPIXPASA-N 0 0 428.517 4.478 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CCCC2)c1 ZINC000013003721 568898676 /nfs/dbraw/zinc/89/86/76/568898676.db2.gz HORFJSDSICNQBW-UHFFFAOYSA-N 0 0 440.569 4.354 50 0 IIAARN COc1ccccc1CNC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000013011207 568900075 /nfs/dbraw/zinc/90/00/75/568900075.db2.gz QXKFFKUXGRMEDV-UHFFFAOYSA-N 0 0 429.973 4.454 50 0 IIAARN CCNC(=O)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)NCCc2ccccc2)c1 ZINC000035723012 568908220 /nfs/dbraw/zinc/90/82/20/568908220.db2.gz HJYRECICJKOYJH-UHFFFAOYSA-N 0 0 442.563 4.363 50 0 IIAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239275136 568910935 /nfs/dbraw/zinc/91/09/35/568910935.db2.gz BFWHVTSVWUKBED-BDTNDASRSA-N 0 0 434.879 4.400 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000241588477 568912270 /nfs/dbraw/zinc/91/22/70/568912270.db2.gz PDNHLPUBXKDLRW-XKQJLSEDSA-N 0 0 445.972 4.221 50 0 IIAARN O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245240305 568913326 /nfs/dbraw/zinc/91/33/26/568913326.db2.gz QUFLEUJBTUSCEY-CZYKHXBRSA-N 0 0 432.545 4.275 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256768 568913990 /nfs/dbraw/zinc/91/39/90/568913990.db2.gz SHYRXROEJRPOQG-XGXHKWSGSA-N 0 0 440.952 4.268 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256795 568914048 /nfs/dbraw/zinc/91/40/48/568914048.db2.gz SZHVEPUVIXHIHU-GBAJDQEWSA-N 0 0 434.561 4.315 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245257029 568914135 /nfs/dbraw/zinc/91/41/35/568914135.db2.gz VTIPBHAMWXBXQO-UVZNROCMSA-N 0 0 434.923 4.207 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000245312779 568914705 /nfs/dbraw/zinc/91/47/05/568914705.db2.gz WTPLCNNGJKQFFS-BYXVTNLJSA-N 0 0 438.568 4.319 50 0 IIAARN CCc1ccccc1NC(=O)c1c(C(=O)Nc2ccccc2)sc2nc(C)cc(=O)n21 ZINC000001907071 568919540 /nfs/dbraw/zinc/91/95/40/568919540.db2.gz GZZWXLOLCZKWHJ-UHFFFAOYSA-N 0 0 432.505 4.131 50 0 IIAARN CCOC(=O)c1nc(CC)oc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000089289866 568919678 /nfs/dbraw/zinc/91/96/78/568919678.db2.gz GGMYIZHZXJFNDR-UHFFFAOYSA-N 0 0 430.892 4.051 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C ZINC000064370046 568920014 /nfs/dbraw/zinc/92/00/14/568920014.db2.gz RTUZFXAVVVDWLZ-UHFFFAOYSA-N 0 0 444.973 4.367 50 0 IIAARN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000089385696 568921520 /nfs/dbraw/zinc/92/15/20/568921520.db2.gz GOCFBRMFCLXKNO-UHFFFAOYSA-N 0 0 445.338 4.013 50 0 IIAARN COC(=O)Cc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)c(C)c2oc1=O ZINC000001131467 568924752 /nfs/dbraw/zinc/92/47/52/568924752.db2.gz ZYFGLKNBKFXSHI-UHFFFAOYSA-N 0 0 430.840 4.086 50 0 biogenic IIAARN COC(=O)c1ccc(N2C(=O)Cc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000002151144 568925261 /nfs/dbraw/zinc/92/52/61/568925261.db2.gz DTPLQTGPGZWYAT-RUZDIDTESA-N 0 0 447.487 4.178 50 0 biogenic IIAARN COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000054220013 568927005 /nfs/dbraw/zinc/92/70/05/568927005.db2.gz REYOJBKNAKDQFQ-UHFFFAOYSA-N 0 0 442.515 4.496 50 0 IIAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCOCC1 ZINC000064471888 568929799 /nfs/dbraw/zinc/92/97/99/568929799.db2.gz RNPLBIPEPZTMNI-UHFFFAOYSA-N 0 0 430.277 4.352 50 0 IIAARN CCCCNC(=O)N1CCN(c2nc(CCC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035867493 568929865 /nfs/dbraw/zinc/92/98/65/568929865.db2.gz FRQRMVARKDBGEY-MRXNPFEDSA-N 0 0 429.634 4.400 50 0 IIAARN COc1cccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 ZINC000064558287 568932021 /nfs/dbraw/zinc/93/20/21/568932021.db2.gz AYYYILNMADQLET-JOCHJYFZSA-N 0 0 449.528 4.331 50 0 IIAARN COc1cccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 ZINC000064558288 568932118 /nfs/dbraw/zinc/93/21/18/568932118.db2.gz AYYYILNMADQLET-QFIPXVFZSA-N 0 0 449.528 4.331 50 0 IIAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064558141 568932125 /nfs/dbraw/zinc/93/21/25/568932125.db2.gz AWTLCDGOOXGDFA-HXUWFJFHSA-N 0 0 441.455 4.292 50 0 IIAARN COc1cc([C@@H]2OC(c3ccc(NC(=O)c4ccc(F)cc4)cc3)=NN2C(C)=O)ccc1O ZINC000064567336 568933491 /nfs/dbraw/zinc/93/34/91/568933491.db2.gz LMWKMYKGMXSTJZ-DEOSSOPVSA-N 0 0 449.438 4.031 50 0 IIAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000016690081 568938494 /nfs/dbraw/zinc/93/84/94/568938494.db2.gz PRLUGTZOQCREFO-KRWDZBQOSA-N 0 0 448.976 4.077 50 0 IIAARN COc1ccc(-c2c(=O)c3ccc4c(c3oc2C(F)(F)F)CN(CCCO)CO4)cc1 ZINC000054313720 568938774 /nfs/dbraw/zinc/93/87/74/568938774.db2.gz MTPITGWUPJOODW-UHFFFAOYSA-N 0 0 435.398 4.022 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604953 568939095 /nfs/dbraw/zinc/93/90/95/568939095.db2.gz OAZIRYGBUXWBOS-HSZRJFAPSA-N 0 0 432.524 4.384 50 0 IIAARN Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccc(F)c(Cl)c2)c1-c1ccccn1 ZINC000064611099 568940025 /nfs/dbraw/zinc/94/00/25/568940025.db2.gz KGKKVVCRBIGNEO-UHFFFAOYSA-N 0 0 439.853 4.499 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000064656895 568942300 /nfs/dbraw/zinc/94/23/00/568942300.db2.gz ITUCDHAIKRECHM-OAHLLOKOSA-N 0 0 435.473 4.342 50 0 IIAARN CN(CC(=O)NC1CCCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704185 568944514 /nfs/dbraw/zinc/94/45/14/568944514.db2.gz LQAAOIXINISAEA-UHFFFAOYSA-N 0 0 444.580 4.302 50 0 IIAARN COc1cc(C)ccc1Oc1cnn(C)c(=O)c1Nc1cccc(C(=O)NCC(C)C)c1 ZINC000036073184 568945687 /nfs/dbraw/zinc/94/56/87/568945687.db2.gz KMASDAFMJREBTJ-UHFFFAOYSA-N 0 0 436.512 4.019 50 0 IIAARN CC(C)CNC(=O)c1cccc(CSc2nc(N3CCOCC3)cc(C(C)(C)C)n2)c1 ZINC000036070811 568945705 /nfs/dbraw/zinc/94/57/05/568945705.db2.gz DKYORPFVHPBIPB-UHFFFAOYSA-N 0 0 442.629 4.289 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccccc4F)CC3=O)c2)cc1 ZINC000064754741 568950946 /nfs/dbraw/zinc/95/09/46/568950946.db2.gz SYZALVUQIJOSIA-FQEVSTJZSA-N 0 0 445.494 4.056 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)C)C2)cc1OC ZINC000006696191 568952630 /nfs/dbraw/zinc/95/26/30/568952630.db2.gz GAVLYRNYDZYQDU-HXUWFJFHSA-N 0 0 428.504 4.411 50 0 IIAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)c(OC)c1 ZINC000064775025 568954383 /nfs/dbraw/zinc/95/43/83/568954383.db2.gz ILAHGQUMICWLAR-UHFFFAOYSA-N 0 0 448.504 4.253 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)CC(C)C ZINC000036117151 568955589 /nfs/dbraw/zinc/95/55/89/568955589.db2.gz RYLBQUKODFTJEP-NRFANRHFSA-N 0 0 444.597 4.156 50 0 IIAARN COc1cccc(-c2csc3ncc(C(=O)Nc4cc(Cl)ccc4OC)c(=O)n23)c1 ZINC000064787953 568956433 /nfs/dbraw/zinc/95/64/33/568956433.db2.gz BVTYNXUCTXOCFZ-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)C)cc1 ZINC000036119864 568957196 /nfs/dbraw/zinc/95/71/96/568957196.db2.gz WECLOQLRHKZWOV-NRFANRHFSA-N 0 0 428.598 4.454 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)[C@@H](C)CC ZINC000036120410 568957475 /nfs/dbraw/zinc/95/74/75/568957475.db2.gz YEMMKCRWRQJHAR-LPHOPBHVSA-N 0 0 432.561 4.429 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120706 568957545 /nfs/dbraw/zinc/95/75/45/568957545.db2.gz KJJBLRUURHWXLO-HXUWFJFHSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121552 568957873 /nfs/dbraw/zinc/95/78/73/568957873.db2.gz QDAYCTCWUMRECL-HXUWFJFHSA-N 0 0 444.572 4.429 50 0 IIAARN O=C(CN(CC1CC1)C(=O)C1CC1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121731 568957970 /nfs/dbraw/zinc/95/79/70/568957970.db2.gz TVSUYPTXEHPMTM-OAQYLSRUSA-N 0 0 442.556 4.041 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)[C@H](C)CC ZINC000036122675 568958214 /nfs/dbraw/zinc/95/82/14/568958214.db2.gz FIAXRDHXOBODSL-WIYYLYMNSA-N 0 0 443.613 4.473 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036122694 568958364 /nfs/dbraw/zinc/95/83/64/568958364.db2.gz HHYPEUPIDLZULO-FQEVSTJZSA-N 0 0 429.586 4.085 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC(C)C ZINC000036122953 568958512 /nfs/dbraw/zinc/95/85/12/568958512.db2.gz WZTFRUCJPROYLK-IBGZPJMESA-N 0 0 447.576 4.080 50 0 IIAARN Cc1nc2n(c(=O)c1Cc1ccccc1)CN(Cc1cccnc1)CN2c1ccc(F)cc1 ZINC000036125660 568958896 /nfs/dbraw/zinc/95/88/96/568958896.db2.gz BBVSDQUJVYCPBE-UHFFFAOYSA-N 0 0 441.510 4.246 50 0 IIAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(OC)cc3)csc21 ZINC000064798924 568960550 /nfs/dbraw/zinc/96/05/50/568960550.db2.gz MHAOVPZGWIIOOH-KRWDZBQOSA-N 0 0 443.546 4.462 50 0 IIAARN CC(C)OC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145976 568962245 /nfs/dbraw/zinc/96/22/45/568962245.db2.gz KYOBJHSFUQMOCH-RTWAWAEBSA-N 0 0 434.939 4.260 50 0 IIAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000006722455 568963137 /nfs/dbraw/zinc/96/31/37/568963137.db2.gz PHLGCLXAOTUCAB-QFIPXVFZSA-N 0 0 429.605 4.435 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCC1=CCCCC1 ZINC000064816260 568964991 /nfs/dbraw/zinc/96/49/91/568964991.db2.gz UXQWUIMPWNRXCN-RUZDIDTESA-N 0 0 436.556 4.307 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1OC ZINC000064817926 568965123 /nfs/dbraw/zinc/96/51/23/568965123.db2.gz DZJOIHZTBRCOJF-UHFFFAOYSA-N 0 0 436.917 4.141 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccccc3C)ccc2c(=O)n1-c1ccccc1 ZINC000064819571 568966656 /nfs/dbraw/zinc/96/66/56/568966656.db2.gz VSYCFUXSBYWONB-UHFFFAOYSA-N 0 0 440.547 4.470 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccccc1F ZINC000036165904 568968349 /nfs/dbraw/zinc/96/83/49/568968349.db2.gz HRCBGDOLANWTEI-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036166310 568968449 /nfs/dbraw/zinc/96/84/49/568968449.db2.gz FPSXBVFLUANCGA-JOCHJYFZSA-N 0 0 430.957 4.280 50 0 IIAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(C(C)C)cc3)no2)c1 ZINC000064841862 568970410 /nfs/dbraw/zinc/97/04/10/568970410.db2.gz DVFKGHMGSRMQLQ-UHFFFAOYSA-N 0 0 443.569 4.252 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)c(C)c1 ZINC000064841836 568970501 /nfs/dbraw/zinc/97/05/01/568970501.db2.gz NHXRAFUBVPFLGE-UHFFFAOYSA-N 0 0 443.569 4.054 50 0 IIAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000064845758 568972073 /nfs/dbraw/zinc/97/20/73/568972073.db2.gz FVDTZKSJQMDWGI-UHFFFAOYSA-N 0 0 431.583 4.148 50 0 IIAARN COc1cccc(CNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)c1OC ZINC000006750955 568973582 /nfs/dbraw/zinc/97/35/82/568973582.db2.gz DITGHIKFVDWWMB-UHFFFAOYSA-N 0 0 425.554 4.480 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862313 568974065 /nfs/dbraw/zinc/97/40/65/568974065.db2.gz LUUBQZFGPDFJTH-UHFFFAOYSA-N 0 0 441.597 4.302 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(F)ccc2C)CC3)cc1OC ZINC000064868411 568975508 /nfs/dbraw/zinc/97/55/08/568975508.db2.gz SWQADRHLIAQJCI-UHFFFAOYSA-N 0 0 448.541 4.022 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c1 ZINC000064872727 568978090 /nfs/dbraw/zinc/97/80/90/568978090.db2.gz RSIGHGGMVGPOIU-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc(OC)c1 ZINC000064872976 568978115 /nfs/dbraw/zinc/97/81/15/568978115.db2.gz BKRKEZSUQUELEX-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)o1 ZINC000064873180 568978233 /nfs/dbraw/zinc/97/82/33/568978233.db2.gz WHOOXFWJLAUKPY-UHFFFAOYSA-N 0 0 449.894 4.296 50 0 IIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4C)cc3)n2)cc1 ZINC000064873309 568978268 /nfs/dbraw/zinc/97/82/68/568978268.db2.gz BGFZNHVSOVPENI-UHFFFAOYSA-N 0 0 441.487 4.381 50 0 IIAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)cc1 ZINC000064873296 568978281 /nfs/dbraw/zinc/97/82/81/568978281.db2.gz AOKPGKLQRHWPTA-UHFFFAOYSA-N 0 0 445.450 4.212 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccncc2)cc1 ZINC000064888118 568979377 /nfs/dbraw/zinc/97/93/77/568979377.db2.gz VVJOQSRBRPYGFN-UHFFFAOYSA-N 0 0 434.565 4.275 50 0 IIAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(F)c(F)c1 ZINC000064888184 568979379 /nfs/dbraw/zinc/97/93/79/568979379.db2.gz BCMCNCRSPSWKSY-UHFFFAOYSA-N 0 0 441.503 4.078 50 0 IIAARN Cc1ccc(F)cc1S(=O)(=O)NCCn1c2ccccc2nc1CCc1ccccc1 ZINC000064888181 568979408 /nfs/dbraw/zinc/97/94/08/568979408.db2.gz DWLNDJHTVCCBAC-UHFFFAOYSA-N 0 0 437.540 4.248 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)[nH]c(=O)n5C4CCCC4)no3)CC2=O)cc1 ZINC000064891310 568981322 /nfs/dbraw/zinc/98/13/22/568981322.db2.gz YYHDPIBYIYQFFG-QGZVFWFLSA-N 0 0 443.507 4.324 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)s2)CC1 ZINC000064892392 568981690 /nfs/dbraw/zinc/98/16/90/568981690.db2.gz XPUADPQZDWTTHK-UHFFFAOYSA-N 0 0 443.388 4.184 50 0 IIAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246963 568982107 /nfs/dbraw/zinc/98/21/07/568982107.db2.gz IJQWOXVIPIKXIG-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248411 568982589 /nfs/dbraw/zinc/98/25/89/568982589.db2.gz HJOOIVKHHYCOFL-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN CCCCc1ccc(C(=O)N2CCN([C@H](C(=O)N(C)CCC)C3CCCC3)CC2)cc1 ZINC000036250770 568984367 /nfs/dbraw/zinc/98/43/67/568984367.db2.gz FMNQHCDFMKLIDZ-DEOSSOPVSA-N 0 0 427.633 4.214 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1cc(C)ccc1C ZINC000064924759 568986210 /nfs/dbraw/zinc/98/62/10/568986210.db2.gz FMKAVXTURBKKRR-UHFFFAOYSA-N 0 0 432.572 4.458 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927561 568986644 /nfs/dbraw/zinc/98/66/44/568986644.db2.gz FKDXRCHHBMGEMJ-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c(OC)c1 ZINC000064928944 568987284 /nfs/dbraw/zinc/98/72/84/568987284.db2.gz ULMNYVLMIVWURG-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1C ZINC000064928781 568987797 /nfs/dbraw/zinc/98/77/97/568987797.db2.gz DKSLOXWDUFCMSQ-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)ncn2)c1 ZINC000064929184 568987911 /nfs/dbraw/zinc/98/79/11/568987911.db2.gz HRWPIZYKLQIQQO-UHFFFAOYSA-N 0 0 436.581 4.086 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000064929959 568988283 /nfs/dbraw/zinc/98/82/83/568988283.db2.gz LTFHOJSVBORFKS-KRWDZBQOSA-N 0 0 442.928 4.430 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)s1 ZINC000064930029 568988453 /nfs/dbraw/zinc/98/84/53/568988453.db2.gz PTLWIGVGQRZVSZ-HNNXBMFYSA-N 0 0 432.427 4.185 50 0 IIAARN Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000064930328 568988666 /nfs/dbraw/zinc/98/86/66/568988666.db2.gz UMRIGPUGQIPCQO-QGZVFWFLSA-N 0 0 428.464 4.354 50 0 IIAARN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681860 568992620 /nfs/dbraw/zinc/99/26/20/568992620.db2.gz GZGYNZJVBIUSNP-RSXGOPAZSA-N 0 0 429.539 4.052 50 0 IIAARN O=C(CSc1ccc(N2CCc3ccccc3C2)nn1)NCCc1ccc(Cl)cc1 ZINC000064945402 568992934 /nfs/dbraw/zinc/99/29/34/568992934.db2.gz WFGUYVOBLGUSGA-UHFFFAOYSA-N 0 0 438.984 4.144 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)N1CCc2ccccc2C1 ZINC000064944324 568993267 /nfs/dbraw/zinc/99/32/67/568993267.db2.gz AWNLZRWLVZKDID-UHFFFAOYSA-N 0 0 439.610 4.144 50 0 IIAARN CCc1nnc2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3n12 ZINC000064949102 568994760 /nfs/dbraw/zinc/99/47/60/568994760.db2.gz CBTSFFVMDLVGSY-UHFFFAOYSA-N 0 0 442.342 4.333 50 0 IIAARN C[C@@H](NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000036310446 568996671 /nfs/dbraw/zinc/99/66/71/568996671.db2.gz UILXMGNRIVPOCE-YKSBVNFPSA-N 0 0 434.584 4.272 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311260 568997065 /nfs/dbraw/zinc/99/70/65/568997065.db2.gz QQTHSWHYVFIOOT-QFIPXVFZSA-N 0 0 443.950 4.434 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036311200 568997199 /nfs/dbraw/zinc/99/71/99/568997199.db2.gz DHTPZKJPARUQFM-QFIPXVFZSA-N 0 0 443.950 4.434 50 0 IIAARN COc1cc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc(OC)c1OC ZINC000064955882 568998677 /nfs/dbraw/zinc/99/86/77/568998677.db2.gz SBBBLJUQDYSSNH-UHFFFAOYSA-N 0 0 449.482 4.180 50 0 IIAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccc(C)cc1 ZINC000036314157 568998903 /nfs/dbraw/zinc/99/89/03/568998903.db2.gz CTRQYEDMXVYPOF-UHFFFAOYSA-N 0 0 449.551 4.084 50 0 IIAARN COc1cccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C2CC2)c1 ZINC000036314271 568998930 /nfs/dbraw/zinc/99/89/30/568998930.db2.gz WOHPLCNMHUQTPF-UHFFFAOYSA-N 0 0 447.535 4.300 50 0 IIAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000064959663 569000018 /nfs/dbraw/zinc/00/00/18/569000018.db2.gz UZGFECVILHPSIK-UHFFFAOYSA-N 0 0 446.595 4.266 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c(C)o1 ZINC000064967547 569001182 /nfs/dbraw/zinc/00/11/82/569001182.db2.gz KKHSNVGRDBZFKE-UHFFFAOYSA-N 0 0 435.459 4.307 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064969116 569076143 /nfs/dbraw/zinc/07/61/43/569076143.db2.gz DWCAGCWFCVIZGZ-UHFFFAOYSA-N 0 0 443.503 4.388 50 0 IIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NC3CCCCCC3)c3ccccc32)cc1 ZINC000064971451 569076242 /nfs/dbraw/zinc/07/62/42/569076242.db2.gz GMEISUTYCLZVON-UHFFFAOYSA-N 0 0 434.540 4.219 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000064972183 569076820 /nfs/dbraw/zinc/07/68/20/569076820.db2.gz DVOLHTPOMVMHIJ-QHCPKHFHSA-N 0 0 434.561 4.366 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000064972172 569076839 /nfs/dbraw/zinc/07/68/39/569076839.db2.gz OAXORGJYHSRDGB-QFIPXVFZSA-N 0 0 440.952 4.403 50 0 IIAARN COc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000064976858 569077231 /nfs/dbraw/zinc/07/72/31/569077231.db2.gz KIIZEXCWWILAHJ-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)COc3ccc(C)cc3)cc2=O)s1 ZINC000064976850 569077255 /nfs/dbraw/zinc/07/72/55/569077255.db2.gz KVFMIDOMRCXORX-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc32)c1 ZINC000064976998 569077388 /nfs/dbraw/zinc/07/73/88/569077388.db2.gz 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CCOc1ccc(-c2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2C)cc1 ZINC000009955414 569151153 /nfs/dbraw/zinc/15/11/53/569151153.db2.gz ZPNIOLFPCKKSJX-UHFFFAOYSA-N 0 0 435.505 4.423 50 0 IIAARN CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(Br)cc1 ZINC000010059047 569152028 /nfs/dbraw/zinc/15/20/28/569152028.db2.gz RFBZVDYUUIYNBO-UHFFFAOYSA-N 0 0 438.376 4.223 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010119413 569152732 /nfs/dbraw/zinc/15/27/32/569152732.db2.gz IVPBXELOYNBYCO-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2C(N)=O)C1 ZINC000013322551 569155061 /nfs/dbraw/zinc/15/50/61/569155061.db2.gz BQJONPIMDMDDOQ-GFCCVEGCSA-N 0 0 432.542 4.030 50 0 IIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013573770 569155749 /nfs/dbraw/zinc/15/57/49/569155749.db2.gz LZWHRTVXQJSWEZ-HSZRJFAPSA-N 0 0 429.497 4.487 50 0 IIAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc2ccccc2c1 ZINC000013572222 569155753 /nfs/dbraw/zinc/15/57/53/569155753.db2.gz GQZPYDRVAVBEIS-APWZRJJASA-N 0 0 449.601 4.077 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000014057795 569157656 /nfs/dbraw/zinc/15/76/56/569157656.db2.gz CVJCKLLZYVXVGR-UHFFFAOYSA-N 0 0 447.720 4.170 50 0 IIAARN O=C([C@@H]1Cc2ccccc2S1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014371084 569158820 /nfs/dbraw/zinc/15/88/20/569158820.db2.gz IGSJVLULWZSWKC-INIZCTEOSA-N 0 0 427.879 4.119 50 0 IIAARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]1C=C[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000037342021 569159601 /nfs/dbraw/zinc/15/96/01/569159601.db2.gz ZUQISCHOROLGSI-SRVWHDFXSA-N 0 0 445.462 4.003 50 0 IIAARN O=C(Nc1ccc(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1)c1ccccc1 ZINC000014631190 569159734 /nfs/dbraw/zinc/15/97/34/569159734.db2.gz UKUDPWAFCYOROY-UHFFFAOYSA-N 0 0 431.416 4.154 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1noc(Cc2ccccc2)n1 ZINC000089662067 569160952 /nfs/dbraw/zinc/16/09/52/569160952.db2.gz YDYYUEBKQAIUBI-PMACEKPBSA-N 0 0 426.561 4.414 50 0 IIAARN CCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O ZINC000016839988 569163128 /nfs/dbraw/zinc/16/31/28/569163128.db2.gz FNCQIHUNSQUXNF-UHFFFAOYSA-N 0 0 444.491 4.220 50 0 IIAARN O=C(NCc1ccccc1Cl)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000016842206 569163464 /nfs/dbraw/zinc/16/34/64/569163464.db2.gz GMKDTYGBCNSSKJ-UHFFFAOYSA-N 0 0 437.956 4.426 50 0 IIAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000016848954 569164330 /nfs/dbraw/zinc/16/43/30/569164330.db2.gz HNERHAMMHCCAQJ-UHFFFAOYSA-N 0 0 449.580 4.064 50 0 IIAARN COc1ccc(-c2cn3c(CCC(=O)Nc4ccc5c(c4)OCCO5)csc3n2)cc1 ZINC000016848827 569164428 /nfs/dbraw/zinc/16/44/28/569164428.db2.gz BFGNMXLMBFKSSK-UHFFFAOYSA-N 0 0 435.505 4.414 50 0 IIAARN COc1ccc(C(=O)[C@@H]2CCCN2C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 ZINC000089802198 569165067 /nfs/dbraw/zinc/16/50/67/569165067.db2.gz RVVVVWJHDYLVGS-NRFANRHFSA-N 0 0 426.488 4.306 50 0 IIAARN O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000089825807 569165248 /nfs/dbraw/zinc/16/52/48/569165248.db2.gz OGDAEEQEKJKCIA-QFIPXVFZSA-N 0 0 445.523 4.038 50 0 IIAARN O=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn21)NCc1ccc(F)cc1 ZINC000089872976 569166402 /nfs/dbraw/zinc/16/64/02/569166402.db2.gz PNJPKXMRQZBGFG-UHFFFAOYSA-N 0 0 433.468 4.085 50 0 IIAARN CC1([C@H]2CC[C@H]3[C@H]4CC[C@H]5CC6(CC[C@]57C[C@]47C(=O)C[C@]3(C)C2)OCCO6)OCCO1 ZINC000254440298 569170257 /nfs/dbraw/zinc/17/02/57/569170257.db2.gz MWYMQFWKJZGZAP-RHNMBQBFSA-N 0 0 430.585 4.475 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 ZINC000017026525 569171127 /nfs/dbraw/zinc/17/11/27/569171127.db2.gz XRAMDQPGSYAYGG-UHFFFAOYSA-N 0 0 446.985 4.249 50 0 IIAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ncn2)c1 ZINC000037356214 569171850 /nfs/dbraw/zinc/17/18/50/569171850.db2.gz FADOCXDQXGMEPX-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000017052508 569172019 /nfs/dbraw/zinc/17/20/19/569172019.db2.gz MDQRBTHWMJJJMK-UHFFFAOYSA-N 0 0 431.540 4.116 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037356580 569172277 /nfs/dbraw/zinc/17/22/77/569172277.db2.gz KEONQZMFJPGHST-UHFFFAOYSA-N 0 0 444.869 4.092 50 0 IIAARN O=C(c1cccc(Nc2cnccn2)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000170634399 569174756 /nfs/dbraw/zinc/17/47/56/569174756.db2.gz FOTOMYLFRZACBF-LJQANCHMSA-N 0 0 439.313 4.196 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1cccc(Cl)c1 ZINC000017189971 569175664 /nfs/dbraw/zinc/17/56/64/569175664.db2.gz RFRLNDQCQZHYDX-UHFFFAOYSA-N 0 0 443.981 4.324 50 0 IIAARN COc1ccccc1-c1nc(NCc2cccnc2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358150 569176015 /nfs/dbraw/zinc/17/60/15/569176015.db2.gz WIMSVNYWBIUIKJ-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000001061222 569176593 /nfs/dbraw/zinc/17/65/93/569176593.db2.gz IYTCDFMOLIRBNU-GOSISDBHSA-N 0 0 443.503 4.248 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/N=C(c3ccccc3C)OC2=O)cc1 ZINC000002823698 569177464 /nfs/dbraw/zinc/17/74/64/569177464.db2.gz PXRVMXKQMWVERT-RCCKNPSSSA-N 0 0 449.484 4.116 50 0 IIAARN C[C@H](C(=O)Nc1ccc(I)cc1)N1c2cccc3cccc(c23)C1=O ZINC000002875264 569177610 /nfs/dbraw/zinc/17/76/10/569177610.db2.gz XBFLIUKURONVKY-GFCCVEGCSA-N 0 0 442.256 4.432 50 0 IIAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002091961 569178814 /nfs/dbraw/zinc/17/88/14/569178814.db2.gz YBQKXSVBDQBMFU-ZEQRLZLVSA-N 0 0 427.548 4.380 50 0 biogenic IIAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Br)N2C(=O)CCSC2=N1 ZINC000000702590 569180318 /nfs/dbraw/zinc/18/03/18/569180318.db2.gz VITPMTCZDPILKL-KRWDZBQOSA-N 0 0 437.359 4.299 50 0 IIAARN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)cc2F)n1 ZINC000170640737 569181476 /nfs/dbraw/zinc/18/14/76/569181476.db2.gz BMDTZEIDAGYGOR-UHFFFAOYSA-N 0 0 429.304 4.318 50 0 IIAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000002149296 569187108 /nfs/dbraw/zinc/18/71/08/569187108.db2.gz SMACQGULLRNYPA-FQEVSTJZSA-N 0 0 437.492 4.397 50 0 biogenic IIAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000252493621 569187793 /nfs/dbraw/zinc/18/77/93/569187793.db2.gz NEPABHQOYIEGJA-WIYYLYMNSA-N 0 0 449.482 4.237 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc2)C[C@H](C)O1 ZINC000252587269 569191612 /nfs/dbraw/zinc/19/16/12/569191612.db2.gz WXHTZBXZAHLIRN-LVCYWYKZSA-N 0 0 446.592 4.163 50 0 IIAARN COCCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1 ZINC000037384600 569192081 /nfs/dbraw/zinc/19/20/81/569192081.db2.gz GMNFTQAPGBYICU-UHFFFAOYSA-N 0 0 449.467 4.205 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccco3)cc2)cc1 ZINC000037385193 569192409 /nfs/dbraw/zinc/19/24/09/569192409.db2.gz JZYRPXJQYRCMNG-UHFFFAOYSA-N 0 0 438.509 4.424 50 0 IIAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000037399071 569194277 /nfs/dbraw/zinc/19/42/77/569194277.db2.gz HCVOXUAQQPEAEK-UHFFFAOYSA-N 0 0 444.579 4.248 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1c(F)cccc1Cl ZINC000037399376 569194432 /nfs/dbraw/zinc/19/44/32/569194432.db2.gz MFDJGHMFXVQZSW-UHFFFAOYSA-N 0 0 442.922 4.286 50 0 IIAARN CS(=O)(=O)Oc1ccccc1CN(Cc1ccc(F)cc1)C(=O)c1ccccc1F ZINC000037400420 569194936 /nfs/dbraw/zinc/19/49/36/569194936.db2.gz CSEVZZKNPAZJCE-UHFFFAOYSA-N 0 0 431.460 4.146 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)C(C)C)c2)cc1 ZINC000037400490 569194938 /nfs/dbraw/zinc/19/49/38/569194938.db2.gz WAGPLPOVFOFJOY-UHFFFAOYSA-N 0 0 443.521 4.241 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C(=O)c2ccco2)C(C)C)cc1 ZINC000037400700 569195052 /nfs/dbraw/zinc/19/50/52/569195052.db2.gz WCBTZHQGQMHXEP-UHFFFAOYSA-N 0 0 429.494 4.107 50 0 IIAARN O=C(c1cccs1)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000037400985 569195066 /nfs/dbraw/zinc/19/50/66/569195066.db2.gz KOHRBAHAOUUIEF-UHFFFAOYSA-N 0 0 431.510 4.460 50 0 IIAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccccc2Cl)SCC1=O ZINC000037424825 569195708 /nfs/dbraw/zinc/19/57/08/569195708.db2.gz XNCWYMUYRLRMDS-LJQANCHMSA-N 0 0 449.020 4.066 50 0 IIAARN CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000037426275 569195749 /nfs/dbraw/zinc/19/57/49/569195749.db2.gz XTAYOOMGXMKEFT-IBGZPJMESA-N 0 0 440.544 4.139 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000037427576 569195848 /nfs/dbraw/zinc/19/58/48/569195848.db2.gz REPFFNZVVWSREU-DEOSSOPVSA-N 0 0 433.527 4.500 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000037427577 569195859 /nfs/dbraw/zinc/19/58/59/569195859.db2.gz REPFFNZVVWSREU-XMMPIXPASA-N 0 0 433.527 4.500 50 0 IIAARN CN(C)C(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000037427796 569195944 /nfs/dbraw/zinc/19/59/44/569195944.db2.gz XYENPRGIOZFHRO-QQTULTPQSA-N 0 0 433.455 4.060 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 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ZINC000096279346 569389324 /nfs/dbraw/zinc/38/93/24/569389324.db2.gz BAAUVYCITMRVGZ-LJQANCHMSA-N 0 0 444.601 4.165 50 0 IIAARN CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC4CC4)o3)cc2[C@H]1c1ccccc1 ZINC000096281192 569389865 /nfs/dbraw/zinc/38/98/65/569389865.db2.gz SAJVHVXOPWOVGO-AREMUKBSSA-N 0 0 444.531 4.492 50 0 IIAARN CC(C)c1ccc(CN2C(=O)CSc3nnc(COc4cccc(Cl)c4)n32)cc1 ZINC000096281967 569390228 /nfs/dbraw/zinc/39/02/28/569390228.db2.gz OWXHTRHMEKEGPD-UHFFFAOYSA-N 0 0 428.945 4.404 50 0 IIAARN O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)N1CCOCC1 ZINC000096290488 569390892 /nfs/dbraw/zinc/39/08/92/569390892.db2.gz AJNMHSSDKONNLK-UHFFFAOYSA-N 0 0 436.314 4.322 50 0 IIAARN CC(C)(C)NC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000096290645 569390995 /nfs/dbraw/zinc/39/09/95/569390995.db2.gz AALQZSTUCKLVBW-UHFFFAOYSA-N 0 0 434.533 4.314 50 0 IIAARN COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)N2CCOCC2)c1 ZINC000096292433 569391345 /nfs/dbraw/zinc/39/13/45/569391345.db2.gz GFUGAEAGYHQPHY-UHFFFAOYSA-N 0 0 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569465460 /nfs/dbraw/zinc/46/54/60/569465460.db2.gz STZWVPSUMJHNQY-UHFFFAOYSA-N 0 0 432.549 4.048 50 0 IIAARN Cc1cc2nc(SCC(=O)N3CCc4ccccc43)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237210 569465471 /nfs/dbraw/zinc/46/54/71/569465471.db2.gz CPHQHTBIDASNIA-UHFFFAOYSA-N 0 0 430.533 4.012 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237373 569465511 /nfs/dbraw/zinc/46/55/11/569465511.db2.gz YDUDPMCMGQXONV-UHFFFAOYSA-N 0 0 426.448 4.031 50 0 IIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc(F)cc1Cl ZINC000067239190 569465709 /nfs/dbraw/zinc/46/57/09/569465709.db2.gz XHINUOGKHUCLRC-LBPRGKRZSA-N 0 0 436.940 4.205 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2nccc3-c2ccc(C(C)C)cc2)c(OC)c1 ZINC000038655219 569465855 /nfs/dbraw/zinc/46/58/55/569465855.db2.gz GIIQFDRNYJBZRT-UHFFFAOYSA-N 0 0 430.508 4.467 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1cccc2nsnc21 ZINC000038661771 569466006 /nfs/dbraw/zinc/46/60/06/569466006.db2.gz XXHUUKPVWNHFIG-UHFFFAOYSA-N 0 0 426.548 4.304 50 0 IIAARN O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1c(F)cccc1Cl ZINC000067257958 569466143 /nfs/dbraw/zinc/46/61/43/569466143.db2.gz NUMRITFIXOQDGD-UHFFFAOYSA-N 0 0 433.668 4.186 50 0 IIAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000067259401 569466233 /nfs/dbraw/zinc/46/62/33/569466233.db2.gz VMWMTAHOBXCVCW-UHFFFAOYSA-N 0 0 432.501 4.474 50 0 IIAARN O=C1CCCN1c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000067259611 569466270 /nfs/dbraw/zinc/46/62/70/569466270.db2.gz UEEOJCXWBMKILQ-UHFFFAOYSA-N 0 0 431.517 4.457 50 0 IIAARN CCc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067261313 569466500 /nfs/dbraw/zinc/46/65/00/569466500.db2.gz NGBACWPLFKKEHU-UHFFFAOYSA-N 0 0 443.532 4.285 50 0 IIAARN CCOc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1 ZINC000067261277 569466506 /nfs/dbraw/zinc/46/65/06/569466506.db2.gz RTUJGUVLVIKVNQ-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN O=S(=O)(c1nnn2c1nc(NCCCc1ccccc1)c1ccccc12)c1ccccc1 ZINC000067261356 569466518 /nfs/dbraw/zinc/46/65/18/569466518.db2.gz TWLDPILAUCMSLF-UHFFFAOYSA-N 0 0 443.532 4.155 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)cc1OC ZINC000067285364 569466791 /nfs/dbraw/zinc/46/67/91/569466791.db2.gz DNTOHKVAMCFDOI-UHFFFAOYSA-N 0 0 449.942 4.394 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5ccc(C)cc5C)CC4)nccn3n2)cc1OC ZINC000067285329 569466823 /nfs/dbraw/zinc/46/68/23/569466823.db2.gz NWIKKRRWKGXKFB-UHFFFAOYSA-N 0 0 443.551 4.357 50 0 IIAARN COc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)cc1OC ZINC000067285358 569466824 /nfs/dbraw/zinc/46/68/24/569466824.db2.gz DWYJJHNQPFNVDJ-UHFFFAOYSA-N 0 0 449.942 4.394 50 0 IIAARN CCOc1ccccc1N1CCN(c2nccn3nc(-c4cccc(OC)c4)cc23)CC1 ZINC000067284891 569466837 /nfs/dbraw/zinc/46/68/37/569466837.db2.gz LJTJIRCTNKVHGT-UHFFFAOYSA-N 0 0 429.524 4.130 50 0 IIAARN CCOc1ccccc1CNc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc21 ZINC000067288332 569467390 /nfs/dbraw/zinc/46/73/90/569467390.db2.gz UCDSIIBOOMOYFR-UHFFFAOYSA-N 0 0 425.916 4.371 50 0 IIAARN CC(=O)c1ccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc43)CC2)cc1 ZINC000067288006 569467402 /nfs/dbraw/zinc/46/74/02/569467402.db2.gz XCCWKYWBXXSMLV-UHFFFAOYSA-N 0 0 446.526 4.139 50 0 IIAARN CCOc1ccc(-c2cc3c(SCC(=O)N4CCc5ccccc54)nccn3n2)cc1 ZINC000067290524 569467570 /nfs/dbraw/zinc/46/75/70/569467570.db2.gz FUVADZOJQOPUBW-UHFFFAOYSA-N 0 0 430.533 4.476 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2C1 ZINC000038714706 569467906 /nfs/dbraw/zinc/46/79/06/569467906.db2.gz KNPSSUKVZTYJJW-UHFFFAOYSA-N 0 0 437.949 4.091 50 0 IIAARN COc1cccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067299658 569468156 /nfs/dbraw/zinc/46/81/56/569468156.db2.gz CLDHJJOBVOJIKJ-MRXNPFEDSA-N 0 0 442.585 4.057 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccc(C)cc3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067299632 569468166 /nfs/dbraw/zinc/46/81/66/569468166.db2.gz TWCWTWNLSVXBDW-KRWDZBQOSA-N 0 0 426.586 4.357 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)N[C@@H](C)CCc3ccccc3)c2c(=O)n1CC(C)C ZINC000067320002 569468576 /nfs/dbraw/zinc/46/85/76/569468576.db2.gz LLNQXQGONPKKPL-KRWDZBQOSA-N 0 0 440.613 4.022 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1cccc(Cl)c1 ZINC000067322319 569468666 /nfs/dbraw/zinc/46/86/66/569468666.db2.gz JHCBOKIDMAFVCJ-UHFFFAOYSA-N 0 0 437.809 4.150 50 0 IIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000067323087 569468731 /nfs/dbraw/zinc/46/87/31/569468731.db2.gz QENWJFONGSAHLC-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)c1 ZINC000067322701 569468742 /nfs/dbraw/zinc/46/87/42/569468742.db2.gz LITYBPIKRZGYPX-UHFFFAOYSA-N 0 0 429.933 4.161 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)c1 ZINC000067335256 569468820 /nfs/dbraw/zinc/46/88/20/569468820.db2.gz KJGMCYNPOMCPNX-UHFFFAOYSA-N 0 0 425.535 4.447 50 0 IIAARN COc1ccc(CN2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)cc1OC ZINC000038758397 569468847 /nfs/dbraw/zinc/46/88/47/569468847.db2.gz SXPZHQYAYATBNY-UHFFFAOYSA-N 0 0 428.960 4.123 50 0 IIAARN CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000008619109 569469375 /nfs/dbraw/zinc/46/93/75/569469375.db2.gz VZYKJFNXNNCELE-UHFFFAOYSA-N 0 0 438.297 4.226 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008610495 569469402 /nfs/dbraw/zinc/46/94/02/569469402.db2.gz ZKKBUHSUQGXPCA-UHFFFAOYSA-N 0 0 443.569 4.101 50 0 IIAARN Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl ZINC000008647392 569469684 /nfs/dbraw/zinc/46/96/84/569469684.db2.gz VRXAGOZRZSROPR-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1 ZINC000008661414 569469771 /nfs/dbraw/zinc/46/97/71/569469771.db2.gz NUBWCDVEOLHSAK-BJKOFHAPSA-N 0 0 428.488 4.179 50 0 IIAARN Cc1ccc(C(=O)N/C(=C\C2=Cc3ccccc3O[C@@H]2C)C(=O)NCc2cccnc2)cc1 ZINC000008661006 569469802 /nfs/dbraw/zinc/46/98/02/569469802.db2.gz HICXIJXVEJHKJH-YPFLROGLSA-N 0 0 439.515 4.185 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)N(C)C2=O ZINC000008661148 569469811 /nfs/dbraw/zinc/46/98/11/569469811.db2.gz MEKPXORZKLGZLW-LEWJYISDSA-N 0 0 440.496 4.454 50 0 IIAARN CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)CC(=O)Nc1ccccc1OC ZINC000008705030 569470343 /nfs/dbraw/zinc/47/03/43/569470343.db2.gz TUXVWOUJPYCWCB-UHFFFAOYSA-N 0 0 438.553 4.026 50 0 IIAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000008705601 569470424 /nfs/dbraw/zinc/47/04/24/569470424.db2.gz ANKHVBGRJHIFFK-ZDUSSCGKSA-N 0 0 425.495 4.189 50 0 IIAARN CC[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 ZINC000008707420 569470626 /nfs/dbraw/zinc/47/06/26/569470626.db2.gz NVGBSWZXUCGNNS-MRXNPFEDSA-N 0 0 434.725 4.024 50 0 IIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008707995 569470631 /nfs/dbraw/zinc/47/06/31/569470631.db2.gz GNGKVYMVPYGAGG-UHFFFAOYSA-N 0 0 449.576 4.116 50 0 IIAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc2N1 ZINC000008719553 569471449 /nfs/dbraw/zinc/47/14/49/569471449.db2.gz FICCZEJUQAPHEK-OAQYLSRUSA-N 0 0 445.544 4.163 50 0 IIAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)[nH]c1Cc1ccccc1 ZINC000008720177 569471518 /nfs/dbraw/zinc/47/15/18/569471518.db2.gz XWZWXVILDQHXEO-QGZVFWFLSA-N 0 0 431.565 4.464 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCO3)nc1 ZINC000008724134 569471944 /nfs/dbraw/zinc/47/19/44/569471944.db2.gz BZBGJFGGWRUXTM-UHFFFAOYSA-N 0 0 428.535 4.219 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000008723981 569471972 /nfs/dbraw/zinc/47/19/72/569471972.db2.gz OWPNTTZRZPGTNT-UHFFFAOYSA-N 0 0 445.426 4.271 50 0 IIAARN Cc1csc(-c2ccc(OCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)cc2)n1 ZINC000008724351 569471988 /nfs/dbraw/zinc/47/19/88/569471988.db2.gz FAKBOBXVNBGKIS-SFHVURJKSA-N 0 0 444.578 4.158 50 0 IIAARN Cc1csc(-c2ccc(OCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cc2)n1 ZINC000008724350 569472030 /nfs/dbraw/zinc/47/20/30/569472030.db2.gz FAKBOBXVNBGKIS-GOSISDBHSA-N 0 0 444.578 4.158 50 0 IIAARN Cc1nc2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)ccc2n1-c1ccccc1 ZINC000008725453 569472186 /nfs/dbraw/zinc/47/21/86/569472186.db2.gz SILXZVLCFWFCGD-UHFFFAOYSA-N 0 0 448.548 4.145 50 0 IIAARN Cc1ccc(-n2c(S[C@@H](C)c3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)cc1 ZINC000008726994 569472352 /nfs/dbraw/zinc/47/23/52/569472352.db2.gz ATBBTDWNYPDJJM-KRWDZBQOSA-N 0 0 448.552 4.316 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(C)n2-c2ccccc2)c1 ZINC000008729086 569472456 /nfs/dbraw/zinc/47/24/56/569472456.db2.gz LQDJDCMIBPCAID-HXUWFJFHSA-N 0 0 438.553 4.049 50 0 IIAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NCc1ccc(F)cc1 ZINC000008734413 569472556 /nfs/dbraw/zinc/47/25/56/569472556.db2.gz AOCBMQRXCXXHFC-UHFFFAOYSA-N 0 0 429.495 4.027 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1S(N)(=O)=O ZINC000008734423 569472585 /nfs/dbraw/zinc/47/25/85/569472585.db2.gz ZQFNCARPTIVAFG-UHFFFAOYSA-N 0 0 442.562 4.363 50 0 IIAARN COCCn1c(SCc2cc(C(C)=O)ccc2OC)nc2sc(C)c(C)c2c1=O ZINC000008748048 569473144 /nfs/dbraw/zinc/47/31/44/569473144.db2.gz YYMRPRBHTBLDCI-UHFFFAOYSA-N 0 0 432.567 4.225 50 0 IIAARN CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000008749438 569473307 /nfs/dbraw/zinc/47/33/07/569473307.db2.gz ZDJWWBDGMYGHFY-RUZDIDTESA-N 0 0 435.524 4.164 50 0 IIAARN O=C(Nc1cccc2cccnc21)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000008752517 569473584 /nfs/dbraw/zinc/47/35/84/569473584.db2.gz BQOGOCHOPAYCPA-UHFFFAOYSA-N 0 0 438.325 4.488 50 0 IIAARN COc1ccc(-c2nc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)sc2C)cc1 ZINC000008754476 569473847 /nfs/dbraw/zinc/47/38/47/569473847.db2.gz VWBKENLFPICFKZ-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN Cc1c(C(=O)NCCn2c3ccccc3c3c2nc(C)cc3C)nnn1-c1ccc(F)cc1 ZINC000008757922 569474172 /nfs/dbraw/zinc/47/41/72/569474172.db2.gz NGKKKXYBWLLBKB-UHFFFAOYSA-N 0 0 442.498 4.265 50 0 IIAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008762665 569474337 /nfs/dbraw/zinc/47/43/37/569474337.db2.gz XCDYRPLRLMEVIW-KOEQRZSOSA-N 0 0 439.515 4.306 50 0 biogenic IIAARN COc1ccccc1OCCNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000008764461 569474644 /nfs/dbraw/zinc/47/46/44/569474644.db2.gz VFGONRUOSHUIGI-UHFFFAOYSA-N 0 0 435.476 4.211 50 0 biogenic IIAARN COc1ccc(CCNC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)cc1OC ZINC000008765417 569474712 /nfs/dbraw/zinc/47/47/12/569474712.db2.gz YOMBTCRDKQERCJ-UHFFFAOYSA-N 0 0 429.472 4.450 50 0 biogenic IIAARN COc1cc(C)c(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1OC ZINC000008777477 569475411 /nfs/dbraw/zinc/47/54/11/569475411.db2.gz JNIIMXSGFFGARU-SANMLTNESA-N 0 0 430.504 4.202 50 0 IIAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1 ZINC000008782500 569475800 /nfs/dbraw/zinc/47/58/00/569475800.db2.gz HNKKPSSVCNRFCO-UHFFFAOYSA-N 0 0 436.434 4.203 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCc4ccccc4)ccc32)cc1 ZINC000008790051 569476002 /nfs/dbraw/zinc/47/60/02/569476002.db2.gz UGIGBCALPKZXAC-UHFFFAOYSA-N 0 0 429.472 4.206 50 0 biogenic IIAARN CCOc1cc2c(cc1[C@H]1C=C3c4cc(OC)c(OC)cc4CCN3C(=O)C1)O[C@@H](C)C2 ZINC000008790922 569476138 /nfs/dbraw/zinc/47/61/38/569476138.db2.gz UICXHDZYLYRUPS-RDJZCZTQSA-N 0 0 435.520 4.339 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1c[nH]cn1)occ3-c1ccccc1 ZINC000008791913 569476361 /nfs/dbraw/zinc/47/63/61/569476361.db2.gz SGLVYYQSLGCDOQ-UHFFFAOYSA-N 0 0 427.460 4.139 50 0 biogenic IIAARN COC(=O)C1=C(CSc2nc3cc(C)ccc3[nH]2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008816196 569476787 /nfs/dbraw/zinc/47/67/87/569476787.db2.gz IUXQETMQFAZCIU-FQEVSTJZSA-N 0 0 436.537 4.061 50 0 IIAARN CC(C)CCOc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000008833989 569477867 /nfs/dbraw/zinc/47/78/67/569477867.db2.gz HKVGHZNUMYGIAU-CDJZJNNCSA-N 0 0 436.545 4.025 50 0 biogenic IIAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008834504 569477909 /nfs/dbraw/zinc/47/79/09/569477909.db2.gz ALUYXTVEYXRQTI-QGZVFWFLSA-N 0 0 434.366 4.447 50 0 IIAARN CCCCCOc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000008833990 569477918 /nfs/dbraw/zinc/47/79/18/569477918.db2.gz YMZDDYMVTPMJRF-CDJZJNNCSA-N 0 0 436.545 4.169 50 0 biogenic IIAARN CC(C)CN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2CCC1=O ZINC000008840872 569478438 /nfs/dbraw/zinc/47/84/38/569478438.db2.gz JMXGECYWNKWUIM-UHFFFAOYSA-N 0 0 443.569 4.017 50 0 IIAARN COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC ZINC000008848903 569479219 /nfs/dbraw/zinc/47/92/19/569479219.db2.gz HOAAVRQEEAVDPW-UHFFFAOYSA-N 0 0 446.569 4.218 50 0 IIAARN O=C(CSc1nc(CC(=O)NCc2ccccc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852348 569479470 /nfs/dbraw/zinc/47/94/70/569479470.db2.gz IHLXESJWEHSOSY-UHFFFAOYSA-N 0 0 431.970 4.386 50 0 IIAARN COc1cccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000008853020 569479546 /nfs/dbraw/zinc/47/95/46/569479546.db2.gz QFOITSVDEGZISN-UHFFFAOYSA-N 0 0 441.578 4.050 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1)Oc1ccccc1 ZINC000008856628 569479774 /nfs/dbraw/zinc/47/97/74/569479774.db2.gz MIRNYLOKOYHRFD-HSZRJFAPSA-N 0 0 442.471 4.294 50 0 biogenic IIAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000008862177 569480113 /nfs/dbraw/zinc/48/01/13/569480113.db2.gz QSMLAYNEIMZWHM-AREMUKBSSA-N 0 0 448.519 4.155 50 0 IIAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008869368 569480422 /nfs/dbraw/zinc/48/04/22/569480422.db2.gz GUDQCFRYQMAWNL-JOCHJYFZSA-N 0 0 437.492 4.028 50 0 IIAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869696 569480471 /nfs/dbraw/zinc/48/04/71/569480471.db2.gz RZVVGCJKWWUILR-UNJYKCMZSA-N 0 0 441.593 4.222 50 0 IIAARN CCCOc1ccc(C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869707 569480473 /nfs/dbraw/zinc/48/04/73/569480473.db2.gz VRPSAVUGHNWDQO-JOCHJYFZSA-N 0 0 437.561 4.458 50 0 IIAARN COc1ccc(/C=C/C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869769 569480477 /nfs/dbraw/zinc/48/04/77/569480477.db2.gz HTYJWWKTYWKDLD-YDYPUGOESA-N 0 0 435.545 4.078 50 0 IIAARN COc1cccc(-n2c(SCC(=O)N(C)C3CCCCC3)nc3ccccc3c2=O)c1 ZINC000008877294 569481217 /nfs/dbraw/zinc/48/12/17/569481217.db2.gz FWKNFENYQDYLFL-UHFFFAOYSA-N 0 0 437.565 4.278 50 0 IIAARN C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(F)c(F)c1F ZINC000039561110 569481717 /nfs/dbraw/zinc/48/17/17/569481717.db2.gz RHPPNMCLNNTFQG-BYPYZUCNSA-N 0 0 442.608 4.225 50 0 IIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1cccc2ccccc21 ZINC000008882195 569482944 /nfs/dbraw/zinc/48/29/44/569482944.db2.gz OGHZVFRTCHKALI-UHFFFAOYSA-N 0 0 437.908 4.360 50 0 IIAARN Cc1ccc2nc(COC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000008883797 569483044 /nfs/dbraw/zinc/48/30/44/569483044.db2.gz QTXLXQNZXWCNFS-UHFFFAOYSA-N 0 0 432.863 4.244 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2 ZINC000008884903 569483146 /nfs/dbraw/zinc/48/31/46/569483146.db2.gz BZCDPMVBZHAPLG-WJOKGBTCSA-N 0 0 431.517 4.439 50 0 IIAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000040034687 569483254 /nfs/dbraw/zinc/48/32/54/569483254.db2.gz GDGYJVXWPHFKIX-UHFFFAOYSA-N 0 0 427.840 4.473 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1nc(-c2cccs2)oc1C ZINC000040039193 569483358 /nfs/dbraw/zinc/48/33/58/569483358.db2.gz RXGQJPKEHJDPHJ-JOCHJYFZSA-N 0 0 447.564 4.187 50 0 IIAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000008900209 569484123 /nfs/dbraw/zinc/48/41/23/569484123.db2.gz QSHLJEHGXXIACX-MHZLTWQESA-N 0 0 439.515 4.248 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2S(=O)(=O)C(F)F)CSC3)cc1 ZINC000008909934 569484739 /nfs/dbraw/zinc/48/47/39/569484739.db2.gz YAMICCONNUDLAF-UHFFFAOYSA-N 0 0 449.504 4.176 50 0 IIAARN CC1CCN(c2nnc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)s2)CC1 ZINC000008911519 569484865 /nfs/dbraw/zinc/48/48/65/569484865.db2.gz VJIVMYIMMSWTPF-UHFFFAOYSA-N 0 0 448.346 4.444 50 0 IIAARN CCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1cc(Cl)ccc1OC ZINC000008912512 569484998 /nfs/dbraw/zinc/48/49/98/569484998.db2.gz YMIGRAKRFSDSNJ-UHFFFAOYSA-N 0 0 425.916 4.452 50 0 IIAARN CCCCCNc1sc(S(=O)(=O)CCC)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008912502 569485004 /nfs/dbraw/zinc/48/50/04/569485004.db2.gz MGVKRABRJVCAIM-UHFFFAOYSA-N 0 0 430.617 4.070 50 0 IIAARN Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1ccccc1C(F)(F)F ZINC000040069897 569485440 /nfs/dbraw/zinc/48/54/40/569485440.db2.gz JWVANCICDTUNBS-UHFFFAOYSA-N 0 0 433.455 4.426 50 0 IIAARN CCCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915754 569485639 /nfs/dbraw/zinc/48/56/39/569485639.db2.gz WAUIGEVFFFDNRS-OAQYLSRUSA-N 0 0 445.581 4.094 50 0 IIAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3cc(C)ccc3C)C2=O)cc1OC ZINC000008919114 569486372 /nfs/dbraw/zinc/48/63/72/569486372.db2.gz IYRRBKWEVHQHOH-MHZLTWQESA-N 0 0 445.515 4.328 50 0 IIAARN COc1ccc(N2C[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1 ZINC000008925478 569487209 /nfs/dbraw/zinc/48/72/09/569487209.db2.gz DJFSLJBLQNJSRO-QGZVFWFLSA-N 0 0 428.488 4.102 50 0 IIAARN COc1cc2c(cc1OC)CN(Cn1nc(-c3ccccc3)c3ccccc3c1=O)CC2 ZINC000040091151 569487450 /nfs/dbraw/zinc/48/74/50/569487450.db2.gz YDGCSNCSCDMYIO-UHFFFAOYSA-N 0 0 427.504 4.097 50 0 IIAARN COc1ccc(OC)c(C[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c1 ZINC000008932747 569487643 /nfs/dbraw/zinc/48/76/43/569487643.db2.gz KOZBQJGLONIHGZ-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O)N1CCCCC1 ZINC000008933511 569487786 /nfs/dbraw/zinc/48/77/86/569487786.db2.gz JZEFVPLLIMFYQI-UHFFFAOYSA-N 0 0 434.927 4.065 50 0 IIAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000008933618 569487852 /nfs/dbraw/zinc/48/78/52/569487852.db2.gz AMDSNCAHDYUUJK-KRWDZBQOSA-N 0 0 428.492 4.234 50 0 IIAARN Cc1c(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000008941640 569488654 /nfs/dbraw/zinc/48/86/54/569488654.db2.gz YQLJKPPNJRSKLR-UHFFFAOYSA-N 0 0 432.524 4.256 50 0 IIAARN Cc1nc2c(s1)c(-c1ccccc1)nn(CC(=O)Nc1cccc(C(F)(F)F)c1)c2=O ZINC000008955005 569490090 /nfs/dbraw/zinc/49/00/90/569490090.db2.gz YPEAFJPYYKRQII-UHFFFAOYSA-N 0 0 444.438 4.486 50 0 IIAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)c1 ZINC000008955232 569490114 /nfs/dbraw/zinc/49/01/14/569490114.db2.gz ODYJLKSBRRMCTB-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)cc1 ZINC000008955233 569490134 /nfs/dbraw/zinc/49/01/34/569490134.db2.gz LBIJNHDUDFHQCS-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cs1 ZINC000040130147 569490247 /nfs/dbraw/zinc/49/02/47/569490247.db2.gz JRWJYSOQCULJQC-UHFFFAOYSA-N 0 0 426.498 4.073 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1OC ZINC000008959744 569490363 /nfs/dbraw/zinc/49/03/63/569490363.db2.gz NNKDSJMRHPUVEN-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000040134486 569490496 /nfs/dbraw/zinc/49/04/96/569490496.db2.gz XFXCNJNPBMMYFH-UHFFFAOYSA-N 0 0 426.698 4.261 50 0 IIAARN COc1cc(C)c([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC ZINC000040134332 569490531 /nfs/dbraw/zinc/49/05/31/569490531.db2.gz LNHNGFQUYYLGDC-OAHLLOKOSA-N 0 0 425.504 4.374 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(c2ncccc2Cl)C1)c1ccc(Cl)cc1 ZINC000040134966 569490637 /nfs/dbraw/zinc/49/06/37/569490637.db2.gz AOQXQNFAISADLY-QFBILLFUSA-N 0 0 444.366 4.244 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000008965220 569491384 /nfs/dbraw/zinc/49/13/84/569491384.db2.gz JROCNYVGFAVOAR-FXAWDEMLSA-N 0 0 428.536 4.285 50 0 IIAARN COc1cc(C(=O)Nc2nc3c(cc(C)cc3C)s2)ccc1OCC(=O)NC(C)C ZINC000040140181 569491506 /nfs/dbraw/zinc/49/15/06/569491506.db2.gz DOSBLYIADZVYEQ-UHFFFAOYSA-N 0 0 427.526 4.077 50 0 IIAARN O=C(Nc1cccc(C(=O)Nn2cnc3ccccc32)c1)c1ccc(Br)o1 ZINC000040144372 569492000 /nfs/dbraw/zinc/49/20/00/569492000.db2.gz MBTVFHJEECCEBI-UHFFFAOYSA-N 0 0 425.242 4.028 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc2ccccc2n1Cc1ccccc1 ZINC000040145288 569492073 /nfs/dbraw/zinc/49/20/73/569492073.db2.gz MMSVUIFZKHHHFJ-UHFFFAOYSA-N 0 0 427.504 4.317 50 0 IIAARN CCOc1ccc(SCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000008984264 569494713 /nfs/dbraw/zinc/49/47/13/569494713.db2.gz XDKFTKPUUXAOHC-UHFFFAOYSA-N 0 0 437.359 4.003 50 0 IIAARN C[C@@H](CC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)NC(=O)c1ccccc1 ZINC000040146851 569492337 /nfs/dbraw/zinc/49/23/37/569492337.db2.gz HOLOKUATZXHEGA-FQEVSTJZSA-N 0 0 432.568 4.457 50 0 IIAARN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1 ZINC000040153478 569493619 /nfs/dbraw/zinc/49/36/19/569493619.db2.gz JVOWZRFBYKYYJI-QMMMGPOBSA-N 0 0 432.137 4.030 50 0 IIAARN Cc1ccc(-c2csc3ncnc(N4CCC(NC(=O)c5ccncc5)CC4)c23)cc1 ZINC000040155549 569493929 /nfs/dbraw/zinc/49/39/29/569493929.db2.gz FMJBXSAWUDGJKU-UHFFFAOYSA-N 0 0 429.549 4.461 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000040157295 569494221 /nfs/dbraw/zinc/49/42/21/569494221.db2.gz ISWBJQDBVNPZBO-DEOSSOPVSA-N 0 0 436.552 4.143 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n(-c2ccc(C)cc2)n1 ZINC000008981620 569494456 /nfs/dbraw/zinc/49/44/56/569494456.db2.gz GQFKZQAYSITDBC-JOCHJYFZSA-N 0 0 446.551 4.426 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008983966 569494712 /nfs/dbraw/zinc/49/47/12/569494712.db2.gz WQMNAXUPVLJKGZ-UHFFFAOYSA-N 0 0 446.475 4.116 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000040161090 569495097 /nfs/dbraw/zinc/49/50/97/569495097.db2.gz POQHYZPREJUPII-UHFFFAOYSA-N 0 0 442.581 4.013 50 0 IIAARN CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000040162135 569495191 /nfs/dbraw/zinc/49/51/91/569495191.db2.gz FPTWRVLYVKJLAL-UHFFFAOYSA-N 0 0 441.018 4.167 50 0 IIAARN O=C(COc1ccc(Br)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000008992219 569495341 /nfs/dbraw/zinc/49/53/41/569495341.db2.gz WWBKAUIADFMDQC-UHFFFAOYSA-N 0 0 438.281 4.348 50 0 IIAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)ccc1Cl ZINC000040287285 569498179 /nfs/dbraw/zinc/49/81/79/569498179.db2.gz QCVYXALAHQOVOH-HXUWFJFHSA-N 0 0 440.887 4.038 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000009050529 569498590 /nfs/dbraw/zinc/49/85/90/569498590.db2.gz XTQTULDZLOPODU-LNLFQRSKSA-N 0 0 446.613 4.228 50 0 IIAARN COCc1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)sc2cccc(F)c21 ZINC000009052627 569498771 /nfs/dbraw/zinc/49/87/71/569498771.db2.gz CYRWORIFASIYJI-UHFFFAOYSA-N 0 0 426.513 4.221 50 0 IIAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000009056756 569499071 /nfs/dbraw/zinc/49/90/71/569499071.db2.gz YOTYIFMPQQIQEP-MRXNPFEDSA-N 0 0 439.585 4.354 50 0 IIAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000009060845 569499442 /nfs/dbraw/zinc/49/94/42/569499442.db2.gz LEZJRBXFSVYBBV-UHFFFAOYSA-N 0 0 433.313 4.433 50 0 IIAARN COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000009071540 569500131 /nfs/dbraw/zinc/50/01/31/569500131.db2.gz JCMYPCGEZRWULX-UHFFFAOYSA-N 0 0 427.504 4.449 50 0 IIAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(Br)cc1 ZINC000009095302 569501320 /nfs/dbraw/zinc/50/13/20/569501320.db2.gz QWJOICZQILMDMA-UHFFFAOYSA-N 0 0 446.301 4.179 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000009104276 569501800 /nfs/dbraw/zinc/50/18/00/569501800.db2.gz BRAYRQCWUJINTO-OAHLLOKOSA-N 0 0 439.468 4.322 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000009109897 569501938 /nfs/dbraw/zinc/50/19/38/569501938.db2.gz ACHWGWKDDQUFBY-PPJWLVRDSA-N 0 0 444.487 4.145 50 0 IIAARN Cc1ccc(-n2cnnc2SCC(=O)OCc2cnn(-c3ccccc3)c2)cc1Cl ZINC000009113621 569502600 /nfs/dbraw/zinc/50/26/00/569502600.db2.gz IPMSMKRQNTWKAH-UHFFFAOYSA-N 0 0 439.928 4.250 50 0 IIAARN COc1ccccc1CNC(=O)c1cc(Cl)ccc1NC(=O)C1=C(C)OCCS1 ZINC000009115178 569502680 /nfs/dbraw/zinc/50/26/80/569502680.db2.gz RKSWKRZIBMUDSQ-UHFFFAOYSA-N 0 0 432.929 4.212 50 0 IIAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N5CCCCCC5)C4)sc3n2)cc1 ZINC000009117390 569503087 /nfs/dbraw/zinc/50/30/87/569503087.db2.gz XSMARIQYYYGRBP-SFHVURJKSA-N 0 0 439.585 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O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013986683 132355707 /nfs/dbraw/zinc/35/57/07/132355707.db2.gz PFGZAEMNYUEYHW-UHFFFAOYSA-N 0 0 441.837 4.015 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014126878 132356151 /nfs/dbraw/zinc/35/61/51/132356151.db2.gz JCFMFJCNPFKIET-NRFANRHFSA-N 0 0 425.916 4.079 50 0 IIAARN CC(=O)c1cc(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cs1 ZINC000012448984 518276552 /nfs/dbraw/zinc/27/65/52/518276552.db2.gz QMLFRIWTWYOVGW-UHFFFAOYSA-N 0 0 439.625 4.292 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cc3c(s1)-c1ccccc1CC3)OCO2 ZINC000021375335 518293349 /nfs/dbraw/zinc/29/33/49/518293349.db2.gz LDRMEWXJODYKIS-UHFFFAOYSA-N 0 0 449.484 4.241 50 0 IIAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000001171077 518343143 /nfs/dbraw/zinc/34/31/43/518343143.db2.gz ZKZAHGICYKMXEU-GMMLXXJASA-N 0 0 435.479 4.029 50 0 IIAARN C/C=C(\C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@@H]1OC(=O)/C(C)=C\C 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JOZUPPNBGCLGFK-NRFANRHFSA-N 0 0 447.535 4.191 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2ccc(Cl)cc2)S1 ZINC000020896292 519643244 /nfs/dbraw/zinc/64/32/44/519643244.db2.gz MWVFMWXDCSIDAH-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3cccc(C)c3C)cc2)S1 ZINC000020895698 519643416 /nfs/dbraw/zinc/64/34/16/519643416.db2.gz OIODSHBNJROHOA-JOCHJYFZSA-N 0 0 441.553 4.152 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896358 519643683 /nfs/dbraw/zinc/64/36/83/519643683.db2.gz QFZMJOVBAUDDHV-QFIPXVFZSA-N 0 0 441.553 4.071 50 0 IIAARN CC(C)CCNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012867177 519662426 /nfs/dbraw/zinc/66/24/26/519662426.db2.gz IISCZHOLIIMKSM-SANMLTNESA-N 0 0 444.535 4.184 50 0 biogenic IIAARN CC(=O)N[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)C ZINC000012735212 519679197 /nfs/dbraw/zinc/67/91/97/519679197.db2.gz YYPAQSYNCQKAML-JOCHJYFZSA-N 0 0 438.959 4.312 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012680287 519687035 /nfs/dbraw/zinc/68/70/35/519687035.db2.gz XIWZHYSQPWKAQK-QFIPXVFZSA-N 0 0 446.576 4.231 50 0 IIAARN CC(C)NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000012338501 519717289 /nfs/dbraw/zinc/71/72/89/519717289.db2.gz ITCMLVHUAKSTCM-XIGIHCPSSA-N 0 0 436.511 4.221 50 0 IIAARN CC(C)NC(=O)c1cccc2c1CCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012916642 519717995 /nfs/dbraw/zinc/71/79/95/519717995.db2.gz XZHWDSQJNDOMKV-UHFFFAOYSA-N 0 0 433.382 4.335 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000033128445 519722891 /nfs/dbraw/zinc/72/28/91/519722891.db2.gz JZMFLYUDBDLDML-UHFFFAOYSA-N 0 0 436.537 4.045 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1Cl ZINC000012737668 519725852 /nfs/dbraw/zinc/72/58/52/519725852.db2.gz ZZJBHZPXNJQUJA-UHFFFAOYSA-N 0 0 438.915 4.377 50 0 IIAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000020990067 519727054 /nfs/dbraw/zinc/72/70/54/519727054.db2.gz QJIHAVPWMWJEQK-UHFFFAOYSA-N 0 0 439.537 4.391 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1 ZINC000012803299 519730041 /nfs/dbraw/zinc/73/00/41/519730041.db2.gz POAZETJKALPKJW-UHFFFAOYSA-N 0 0 428.579 4.449 50 0 IIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1 ZINC000012816142 519733187 /nfs/dbraw/zinc/73/31/87/519733187.db2.gz VNLONKBKEZSTMX-UHFFFAOYSA-N 0 0 447.607 4.374 50 0 IIAARN CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)Cc2cccc3ccccc32)c1=O ZINC000012279903 519742116 /nfs/dbraw/zinc/74/21/16/519742116.db2.gz KOQTVXUCAOMCLS-UHFFFAOYSA-N 0 0 433.552 4.240 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000015882868 519744332 /nfs/dbraw/zinc/74/43/32/519744332.db2.gz UDDSBAVYOOYUOF-UHFFFAOYSA-N 0 0 429.398 4.126 50 0 IIAARN CC(C)Oc1ccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021039674 519779083 /nfs/dbraw/zinc/77/90/83/519779083.db2.gz HUYAFTHXOUCGAB-UHFFFAOYSA-N 0 0 443.595 4.149 50 0 IIAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)c1 ZINC000012303528 519782512 /nfs/dbraw/zinc/78/25/12/519782512.db2.gz DUNUXKGNVMTABO-FQEVSTJZSA-N 0 0 438.549 4.306 50 0 IIAARN CC(C)Sc1nc2c3c(sc2c(SCCN2CCOCC2)n1)CC(C)(C)OC3 ZINC000020590374 519788583 /nfs/dbraw/zinc/78/85/83/519788583.db2.gz HXTLOBASELFTGO-UHFFFAOYSA-N 0 0 439.672 4.467 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cn1cccn1 ZINC000014903436 519798288 /nfs/dbraw/zinc/79/82/88/519798288.db2.gz VRFYTWZVPITQAT-XMMPIXPASA-N 0 0 446.595 4.300 50 0 IIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000012656705 519803194 /nfs/dbraw/zinc/80/31/94/519803194.db2.gz ZJDHXMIUYBZZJY-COXVUDFISA-N 0 0 444.309 4.452 50 0 IIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1I ZINC000012599649 519803218 /nfs/dbraw/zinc/80/32/18/519803218.db2.gz UVVDKPVTUHAIBW-KEYYUXOJSA-N 0 0 444.309 4.452 50 0 IIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000035535523 519803279 /nfs/dbraw/zinc/80/32/79/519803279.db2.gz ZJDHXMIUYBZZJY-XOKHGSTOSA-N 0 0 444.309 4.452 50 0 IIAARN CC(C)c1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012244501 519830643 /nfs/dbraw/zinc/83/06/43/519830643.db2.gz MJUHITGSQVFOBV-UHFFFAOYSA-N 0 0 444.514 4.302 50 0 IIAARN CC(C)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011997131 519832696 /nfs/dbraw/zinc/83/26/96/519832696.db2.gz BBNFBPSILRKVSW-GOSISDBHSA-N 0 0 439.537 4.411 50 0 IIAARN CCCN1CCCc2cc(CCNS(=O)(=O)c3ccccc3Br)ccc21 ZINC000035588108 519854559 /nfs/dbraw/zinc/85/45/59/519854559.db2.gz VDMFROOMVMOEBJ-UHFFFAOYSA-N 0 0 437.403 4.133 50 0 IIAARN CC(C)c1nc2c(cnn2-c2ccccc2Cl)c(NCCNC(=O)NC(C)(C)C)n1 ZINC000036016635 519868817 /nfs/dbraw/zinc/86/88/17/519868817.db2.gz GDQBLZFDZXCHED-UHFFFAOYSA-N 0 0 429.956 4.102 50 0 IIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000036002989 519869102 /nfs/dbraw/zinc/86/91/02/519869102.db2.gz GZPWRKGWZYICOV-UHFFFAOYSA-N 0 0 446.580 4.353 50 0 IIAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2Cl)CC1 ZINC000016426772 519869304 /nfs/dbraw/zinc/86/93/04/519869304.db2.gz ASHSWORZHOGKMW-UHFFFAOYSA-N 0 0 445.947 4.058 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000012635004 519901311 /nfs/dbraw/zinc/90/13/11/519901311.db2.gz WSFKVBPVEPYTGO-UHFFFAOYSA-N 0 0 437.565 4.043 50 0 IIAARN CC(C)n1cc(C(=O)N[C@@H](C)c2ccco2)c(=O)c(C(=O)NC2CCCCCCC2)c1 ZINC000014969906 519944531 /nfs/dbraw/zinc/94/45/31/519944531.db2.gz UUHOQFVZARMRGG-KRWDZBQOSA-N 0 0 427.545 4.356 50 0 IIAARN CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1nc2ccccc2s1 ZINC000012796967 520049112 /nfs/dbraw/zinc/04/91/12/520049112.db2.gz AZFLKEFVSPFJNE-HNNXBMFYSA-N 0 0 449.623 4.120 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n21 ZINC000021797632 520052063 /nfs/dbraw/zinc/05/20/63/520052063.db2.gz NRXYTKNRLGFOAT-UHFFFAOYSA-N 0 0 425.558 4.283 50 0 IIAARN CCN(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)c1ccccc1 ZINC000012822059 520070912 /nfs/dbraw/zinc/07/09/12/520070912.db2.gz GFVSWKDRVPENRJ-UHFFFAOYSA-N 0 0 436.533 4.113 50 0 IIAARN CCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1OC ZINC000012915182 520106125 /nfs/dbraw/zinc/10/61/25/520106125.db2.gz FWQAKRYXAADLEH-UHFFFAOYSA-N 0 0 442.531 4.392 50 0 IIAARN CC(C)n1nnnc1SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000012815263 520145651 /nfs/dbraw/zinc/14/56/51/520145651.db2.gz HTSZXODYKFNTHH-INIZCTEOSA-N 0 0 436.497 4.063 50 0 IIAARN CCCCCOc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@@H]2[C@@H]2COC(C)(C)O2)cc1 ZINC000012660701 520256935 /nfs/dbraw/zinc/25/69/35/520256935.db2.gz BJTAIDSDXOLOKD-MLBCHFTJSA-N 0 0 436.545 4.169 50 0 biogenic IIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012269830 520341084 /nfs/dbraw/zinc/34/10/84/520341084.db2.gz UUYHFLRAEBDLQB-UHFFFAOYSA-N 0 0 442.459 4.286 50 0 IIAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000012748231 520352855 /nfs/dbraw/zinc/35/28/55/520352855.db2.gz XQPWVJUMYAJVOV-UHFFFAOYSA-N 0 0 432.858 4.213 50 0 IIAARN CCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000012541800 520394203 /nfs/dbraw/zinc/39/42/03/520394203.db2.gz DEEDLWAKEVMVFR-UHFFFAOYSA-N 0 0 439.375 4.430 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)s1 ZINC000032947345 520493924 /nfs/dbraw/zinc/49/39/24/520493924.db2.gz IIQWGFVORHHEMB-UHFFFAOYSA-N 0 0 445.035 4.191 50 0 IIAARN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560338 520508013 /nfs/dbraw/zinc/50/80/13/520508013.db2.gz KTGIGYRLXKIITI-QHCPKHFHSA-N 0 0 437.540 4.204 50 0 IIAARN CCOC(=O)C1=C(CNc2cccc(C(F)(F)F)c2)NC(=O)N[C@@H]1c1cccs1 ZINC000012762570 520520196 /nfs/dbraw/zinc/52/01/96/520520196.db2.gz VOKXOYREAKLTTL-MRXNPFEDSA-N 0 0 425.432 4.050 50 0 IIAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000017286896 520526509 /nfs/dbraw/zinc/52/65/09/520526509.db2.gz XZOXTXRBVZVFHG-UHFFFAOYSA-N 0 0 426.460 4.450 50 0 IIAARN CCOc1c(Cl)cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1OC ZINC000012768231 520595979 /nfs/dbraw/zinc/59/59/79/520595979.db2.gz IYNTXEGIVSFTEC-BETUJISGSA-N 0 0 439.965 4.065 50 0 IIAARN CCOc1cc(/C=C/C(=O)NCc2ccc(OC)nc2)ccc1OCCOc1ccccc1 ZINC000012563036 520619070 /nfs/dbraw/zinc/61/90/70/520619070.db2.gz ZYQDZFCOYUTXCJ-JLHYYAGUSA-N 0 0 448.519 4.276 50 0 IIAARN CCOc1cc(COC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OC(F)F ZINC000012823303 520732830 /nfs/dbraw/zinc/73/28/30/520732830.db2.gz WBAQUZCIYJIFQE-UHFFFAOYSA-N 0 0 434.391 4.224 50 0 IIAARN CCOC(=O)CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000020938901 520782821 /nfs/dbraw/zinc/78/28/21/520782821.db2.gz XVHYDGBGHWRTTL-OAQYLSRUSA-N 0 0 429.879 4.181 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)ccc1C ZINC000012542037 520785027 /nfs/dbraw/zinc/78/50/27/520785027.db2.gz GOOVDQVNMDBUNZ-UHFFFAOYSA-N 0 0 437.565 4.315 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)ccc1O ZINC000020464008 520785381 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ZINC000020442486 521786171 /nfs/dbraw/zinc/78/61/71/521786171.db2.gz AVZNBJYFHFFMRF-OAQYLSRUSA-N 0 0 436.647 4.179 50 0 IIAARN CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 ZINC000012552657 521807923 /nfs/dbraw/zinc/80/79/23/521807923.db2.gz MCODUKKGUCNUSH-UHFFFAOYSA-N 0 0 440.503 4.344 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nc(-c2ccccc2)ccc1=O ZINC000021783826 521865601 /nfs/dbraw/zinc/86/56/01/521865601.db2.gz AWMXRSYHGNESAM-SFHVURJKSA-N 0 0 427.888 4.171 50 0 IIAARN COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)CCCc2cccs2)C3)nc1 ZINC000012157270 521924697 /nfs/dbraw/zinc/92/46/97/521924697.db2.gz CABUGJPZGHNCTD-SFHVURJKSA-N 0 0 436.533 4.039 50 0 IIAARN COC(=O)c1cc2nc(Cc3ccccc3)oc2c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000012371204 521925452 /nfs/dbraw/zinc/92/54/52/521925452.db2.gz JCKJZNIRBDMBMO-UHFFFAOYSA-N 0 0 446.459 4.475 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012854090 521983230 /nfs/dbraw/zinc/98/32/30/521983230.db2.gz ZKFDFWXQZOQSRM-SFHVURJKSA-N 0 0 427.353 4.125 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000012784703 521983264 /nfs/dbraw/zinc/98/32/64/521983264.db2.gz ZYXLQDKHPMEEIC-UHFFFAOYSA-N 0 0 432.929 4.026 50 0 IIAARN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000012536056 521989945 /nfs/dbraw/zinc/98/99/45/521989945.db2.gz NYZSHKGAQGBXMO-UHFFFAOYSA-N 0 0 439.493 4.226 50 0 IIAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000020836147 521996644 /nfs/dbraw/zinc/99/66/44/521996644.db2.gz VFRXUKCLHLVYBT-UHFFFAOYSA-N 0 0 441.578 4.192 50 0 IIAARN CC[C@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000021534801 522046920 /nfs/dbraw/zinc/04/69/20/522046920.db2.gz ZZLAMEMSTHIJEF-HNNXBMFYSA-N 0 0 434.521 4.296 50 0 IIAARN CC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012763778 522071295 /nfs/dbraw/zinc/07/12/95/522071295.db2.gz FBJZOFOMAPMIDV-UONOGXRCSA-N 0 0 437.521 4.062 50 0 IIAARN CC[C@H](C)n1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012456965 522071739 /nfs/dbraw/zinc/07/17/39/522071739.db2.gz XWLJCLJKLMRCJI-IBGZPJMESA-N 0 0 427.589 4.456 50 0 IIAARN COCCn1c(SCc2cc(C)ccc2C)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076929 522073484 /nfs/dbraw/zinc/07/34/84/522073484.db2.gz WZUHPYAHLBKIBC-UHFFFAOYSA-N 0 0 439.581 4.090 50 0 IIAARN COCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000065285152 522077934 /nfs/dbraw/zinc/07/79/34/522077934.db2.gz PXBCOMOKHPAQML-AWEZNQCLSA-N 0 0 433.434 4.118 50 0 IIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(C)(=O)=O)c1)C(=O)c1ccccc1Cl ZINC000035770320 522097306 /nfs/dbraw/zinc/09/73/06/522097306.db2.gz LMXMNMXBWRLTKC-CQSZACIVSA-N 0 0 425.934 4.128 50 0 IIAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)C(C)C)c1)C(=O)c1ccccc1F ZINC000036008545 522097550 /nfs/dbraw/zinc/09/75/50/522097550.db2.gz DUDZFVWTYKDIPC-MRXNPFEDSA-N 0 0 437.533 4.392 50 0 IIAARN COC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1 ZINC000012444154 522100833 /nfs/dbraw/zinc/10/08/33/522100833.db2.gz ZFASDQLTBUDFLU-UHFFFAOYSA-N 0 0 426.519 4.086 50 0 IIAARN COC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c(OC)c1 ZINC000012766083 522143293 /nfs/dbraw/zinc/14/32/93/522143293.db2.gz HCVKQNLSDFAXOW-HXUWFJFHSA-N 0 0 448.475 4.140 50 0 IIAARN COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc(OC)c1OC ZINC000012226304 522156817 /nfs/dbraw/zinc/15/68/17/522156817.db2.gz OAQKEAKTKVZBEN-UHFFFAOYSA-N 0 0 438.402 4.332 50 0 IIAARN COc1cc(C(C)=O)ccc1COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1OC ZINC000012565187 522174035 /nfs/dbraw/zinc/17/40/35/522174035.db2.gz DDZOLENGQVBIPS-FQEVSTJZSA-N 0 0 426.465 4.154 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccn1)n(CCc1ccccc1)c2=O ZINC000012478211 522186726 /nfs/dbraw/zinc/18/67/26/522186726.db2.gz KGXMJAPBNXYBEX-UHFFFAOYSA-N 0 0 431.517 4.113 50 0 IIAARN COC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1 ZINC000012718661 522194068 /nfs/dbraw/zinc/19/40/68/522194068.db2.gz WSUKQRMRSSSVNI-NRFANRHFSA-N 0 0 427.500 4.460 50 0 IIAARN COC(=O)c1cccc(C(=O)NC[C@@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c1 ZINC000014989564 522197237 /nfs/dbraw/zinc/19/72/37/522197237.db2.gz GPKHBUDYLXHQEU-NRFANRHFSA-N 0 0 429.472 4.076 50 0 IIAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000017101379 522270855 /nfs/dbraw/zinc/27/08/55/522270855.db2.gz HKCBATGJTRCHBS-CSVUYUCVSA-N 0 0 437.495 4.218 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000012383056 522273861 /nfs/dbraw/zinc/27/38/61/522273861.db2.gz AKIYRXFCCMSVDK-UHFFFAOYSA-N 0 0 441.509 4.289 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc12 ZINC000035446851 522277068 /nfs/dbraw/zinc/27/70/68/522277068.db2.gz HSJLZCLZKDZSJF-UHFFFAOYSA-N 0 0 446.507 4.221 50 0 biogenic IIAARN COc1cc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1OC(F)F ZINC000012816621 522346109 /nfs/dbraw/zinc/34/61/09/522346109.db2.gz BETGBMYDDMEWQM-UHFFFAOYSA-N 0 0 445.441 4.382 50 0 IIAARN COc1cc(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc(OC)c1OC ZINC000012131719 522388491 /nfs/dbraw/zinc/38/84/91/522388491.db2.gz ITXBDTJDHXOMDP-QHCPKHFHSA-N 0 0 449.547 4.383 50 0 IIAARN CC[C@@H](C)c1ccccc1OCC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000012924047 522436007 /nfs/dbraw/zinc/43/60/07/522436007.db2.gz CQPHBYHREOFXQX-CQSZACIVSA-N 0 0 433.346 4.405 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000035961026 522451801 /nfs/dbraw/zinc/45/18/01/522451801.db2.gz AQYBFHQNUCSJRW-NRFANRHFSA-N 0 0 427.907 4.415 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946725 522452408 /nfs/dbraw/zinc/45/24/08/522452408.db2.gz ZBTLBXVBVHHEES-JOCHJYFZSA-N 0 0 425.479 4.291 50 0 IIAARN CN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1Cl ZINC000012824714 522455456 /nfs/dbraw/zinc/45/54/56/522455456.db2.gz RTGNQAOYEYHZBF-QGZVFWFLSA-N 0 0 425.838 4.078 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000013006499 522517922 /nfs/dbraw/zinc/51/79/22/522517922.db2.gz FUVHCNFIAYMTCE-CQSZACIVSA-N 0 0 442.990 4.066 50 0 IIAARN CCc1nn(CCCC(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc3oc(C)cc3n21 ZINC000020862435 522703449 /nfs/dbraw/zinc/70/34/49/522703449.db2.gz IRWOFTMFOFYOSB-IBGZPJMESA-N 0 0 432.524 4.087 50 0 IIAARN COc1cc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020531018 522705988 /nfs/dbraw/zinc/70/59/88/522705988.db2.gz SEJZGVFYSHZPDL-JOCHJYFZSA-N 0 0 432.476 4.048 50 0 IIAARN CCc1nn2c(nnc3c2ccn(-c2ccc(Cl)cc2)c3=O)c1-c1ccc(OC)cc1 ZINC000020731671 522713017 /nfs/dbraw/zinc/71/30/17/522713017.db2.gz JWSFGDYJPDMDKB-UHFFFAOYSA-N 0 0 431.883 4.320 50 0 IIAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000012765743 522824428 /nfs/dbraw/zinc/82/44/28/522824428.db2.gz OGLPLWHUMJRZQO-UHFFFAOYSA-N 0 0 430.551 4.244 50 0 IIAARN COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000020892691 522832850 /nfs/dbraw/zinc/83/28/50/522832850.db2.gz HTNAKGOTSVBFEF-NRFANRHFSA-N 0 0 443.500 4.120 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c1 ZINC000015881045 522858112 /nfs/dbraw/zinc/85/81/12/522858112.db2.gz UKWKXIPSGNSEMS-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COc1cc(OC)cc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 ZINC000015826590 522860515 /nfs/dbraw/zinc/86/05/15/522860515.db2.gz ZFVCUNKXYAEULL-UHFFFAOYSA-N 0 0 442.468 4.178 50 0 IIAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(OC(=O)C=Cc2ccccc2)ccc2ccccc21 ZINC000033602454 522875846 /nfs/dbraw/zinc/87/58/46/522875846.db2.gz OMGIHEJKPXKYTA-INYRMVIESA-N 0 0 442.471 4.260 50 0 IIAARN COc1cc(OC)cc([C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000012550929 522884577 /nfs/dbraw/zinc/88/45/77/522884577.db2.gz NJWFGAQTCUFURE-FQEVSTJZSA-N 0 0 434.323 4.192 50 0 IIAARN COc1cc([C@@H]2CC(=O)Oc3c4c5c(c(=O)oc4cc(C)c32)CCC5)cc(OC)c1OC ZINC000263586348 522927360 /nfs/dbraw/zinc/92/73/60/522927360.db2.gz SVRVQIXBNFLGDY-INIZCTEOSA-N 0 0 436.460 4.057 50 0 biogenic IIAARN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807525 522966944 /nfs/dbraw/zinc/96/69/44/522966944.db2.gz BKGNLSHFTSZWQC-YGOYIFOWSA-N 0 0 444.959 4.361 50 0 biogenic IIAARN CN(CCc1noc(COc2ccc(F)cc2F)n1)C(=O)c1ccccc1C(F)(F)F ZINC000032961054 522999310 /nfs/dbraw/zinc/99/93/10/522999310.db2.gz CFXRLZGTNXPGLC-UHFFFAOYSA-N 0 0 441.356 4.260 50 0 IIAARN CC[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000390832730 523015451 /nfs/dbraw/zinc/01/54/51/523015451.db2.gz SBOBQFWAJXRXNE-DHIUTWEWSA-N 0 0 446.503 4.127 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023882450 523043071 /nfs/dbraw/zinc/04/30/71/523043071.db2.gz IRFSVXCQFJIXSM-VWLOTQADSA-N 0 0 447.560 4.229 50 0 IIAARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012137632 523048345 /nfs/dbraw/zinc/04/83/45/523048345.db2.gz PXLHDTXNBOCCAA-HSZRJFAPSA-N 0 0 438.549 4.270 50 0 IIAARN COc1cc2ccccc2cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012750159 523058275 /nfs/dbraw/zinc/05/82/75/523058275.db2.gz FURRICSZYUGLQP-UHFFFAOYSA-N 0 0 431.488 4.355 50 0 IIAARN COc1cc2oc(C)c(C)c2cc1/C(C)=C/C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000035598244 523071959 /nfs/dbraw/zinc/07/19/59/523071959.db2.gz OVQHPJPVLWDLSW-UKTHLTGXSA-N 0 0 428.510 4.472 50 0 IIAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)/C=C/c2ccccc2Cl)C3)nn1 ZINC000014879186 523108991 /nfs/dbraw/zinc/10/89/91/523108991.db2.gz JIYJZKGLVUDPQK-DBWMJRBXSA-N 0 0 439.874 4.078 50 0 IIAARN CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1=O ZINC000022697005 523142139 /nfs/dbraw/zinc/14/21/39/523142139.db2.gz PZGAPGXDKNMPJA-DEOSSOPVSA-N 0 0 437.971 4.447 50 0 IIAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CNC(=O)c1ccccc1 ZINC000013006841 523193737 /nfs/dbraw/zinc/19/37/37/523193737.db2.gz NBTPOLIWTBGBHK-UHFFFAOYSA-N 0 0 427.298 4.098 50 0 IIAARN CCn1c(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)nnc1-c1cccs1 ZINC000012923752 523219795 /nfs/dbraw/zinc/21/97/95/523219795.db2.gz WODGVHXBRXHRIX-UHFFFAOYSA-N 0 0 438.525 4.379 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)sc2C)cc1 ZINC000012777121 523221771 /nfs/dbraw/zinc/22/17/71/523221771.db2.gz UCNDJJAEVSGGOF-AWEZNQCLSA-N 0 0 437.521 4.270 50 0 IIAARN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000033744701 523235076 /nfs/dbraw/zinc/23/50/76/523235076.db2.gz XNFJVUGOGGXFGU-UHFFFAOYSA-N 0 0 442.600 4.461 50 0 IIAARN COc1ccc(-c2nn(Cc3ccc(Br)cc3F)c(=O)c3noc(C)c32)cc1 ZINC000021883149 523247000 /nfs/dbraw/zinc/24/70/00/523247000.db2.gz LZLJRHKZUPOUBO-UHFFFAOYSA-N 0 0 444.260 4.318 50 0 IIAARN CCn1c2c(nc(CCC(=O)Nc3cccc(SC)c3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641140 523254135 /nfs/dbraw/zinc/25/41/35/523254135.db2.gz WLPPJHWSDATKBA-UHFFFAOYSA-N 0 0 447.564 4.204 50 0 IIAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1=O ZINC000033169635 523284070 /nfs/dbraw/zinc/28/40/70/523284070.db2.gz CONOJPLKSPBVHO-UHFFFAOYSA-N 0 0 439.947 4.169 50 0 IIAARN CCn1cc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)cn1 ZINC000020607246 523300084 /nfs/dbraw/zinc/30/00/84/523300084.db2.gz IBKFYYWKJMBAFY-UHFFFAOYSA-N 0 0 426.449 4.246 50 0 IIAARN COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000035325478 523307514 /nfs/dbraw/zinc/30/75/14/523307514.db2.gz BUQCGSMNSOCVAZ-CQSZACIVSA-N 0 0 440.477 4.039 50 0 IIAARN COc1ccc(-n2c(SCc3ccccc3C)nc3c(c2=O)SCC3)cc1OC ZINC000012140697 523324306 /nfs/dbraw/zinc/32/43/06/523324306.db2.gz GVBIATMATORCJO-UHFFFAOYSA-N 0 0 426.563 4.499 50 0 IIAARN COc1ccc(-n2ccc3c(nnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)c(OC)c1 ZINC000020744353 523334886 /nfs/dbraw/zinc/33/48/86/523334886.db2.gz MKQZJGBQSDNRAP-UHFFFAOYSA-N 0 0 447.882 4.074 50 0 IIAARN COc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000033470264 523432736 /nfs/dbraw/zinc/43/27/36/523432736.db2.gz BYPABWYCYKSVNC-BENRWUELSA-N 0 0 448.972 4.484 50 0 IIAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCCC(=O)NC1CCCCC1 ZINC000012882504 523496405 /nfs/dbraw/zinc/49/64/05/523496405.db2.gz JWXSQPJVTSRRGO-UHFFFAOYSA-N 0 0 437.993 4.018 50 0 IIAARN CCn1cnc2cc(-c3noc([C@@H](NS(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000035453372 523573798 /nfs/dbraw/zinc/57/37/98/523573798.db2.gz VLRCSIQVEPQBGU-FQEVSTJZSA-N 0 0 439.541 4.090 50 0 IIAARN COc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)C2CC2)cc1 ZINC000033659493 523609634 /nfs/dbraw/zinc/60/96/34/523609634.db2.gz MPNIQTXFQJOYHC-UHFFFAOYSA-N 0 0 446.547 4.473 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1Cl)C(C)=O ZINC000035949323 523650598 /nfs/dbraw/zinc/65/05/98/523650598.db2.gz HFUQKEMZQCZYME-HSZRJFAPSA-N 0 0 441.959 4.129 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)C(C)C ZINC000035948288 523653114 /nfs/dbraw/zinc/65/31/14/523653114.db2.gz GSQDJSJTZFLOEM-LJQANCHMSA-N 0 0 447.988 4.210 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)C(C)C ZINC000035948287 523654558 /nfs/dbraw/zinc/65/45/58/523654558.db2.gz GSQDJSJTZFLOEM-IBGZPJMESA-N 0 0 447.988 4.210 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C1CC1 ZINC000035972725 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448.500 4.455 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C)sc3n2)cc1 ZINC000020982861 523761510 /nfs/dbraw/zinc/76/15/10/523761510.db2.gz KOYNGZKCIFOZJW-UHFFFAOYSA-N 0 0 438.534 4.013 50 0 IIAARN COc1ccc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 ZINC000021654795 523764530 /nfs/dbraw/zinc/76/45/30/523764530.db2.gz YJSMITCAJSDEOR-UHFFFAOYSA-N 0 0 425.495 4.141 50 0 IIAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(C)cc1 ZINC000035719051 523775063 /nfs/dbraw/zinc/77/50/63/523775063.db2.gz OBARHNSOCMZDSK-UHFFFAOYSA-N 0 0 426.538 4.328 50 0 IIAARN CCc1cc(C(=O)OC)c(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)s1 ZINC000020607574 523779120 /nfs/dbraw/zinc/77/91/20/523779120.db2.gz JHIVVZXKKMTOAP-CYBMUJFWSA-N 0 0 429.464 4.391 50 0 IIAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(OC)cc3OC)c3ccccn32)cc1 ZINC000012342052 523780036 /nfs/dbraw/zinc/78/00/36/523780036.db2.gz ZKBYJHDQOSAEJM-UHFFFAOYSA-N 0 0 445.475 4.031 50 0 IIAARN COc1ccc(C(O)(C(=O)NCCCCOc2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000022033632 523796288 /nfs/dbraw/zinc/79/62/88/523796288.db2.gz YHGDGGLXHCUUMS-UHFFFAOYSA-N 0 0 449.547 4.224 50 0 IIAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)nc21 ZINC000022998698 523797630 /nfs/dbraw/zinc/79/76/30/523797630.db2.gz SNUSUKWMPDUUHO-SOFGYWHQSA-N 0 0 443.594 4.053 50 0 IIAARN COc1ccc(C)cc1CN(C)C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000021938723 523808975 /nfs/dbraw/zinc/80/89/75/523808975.db2.gz OGIVVDWVJKPGNW-MCADVSAISA-N 0 0 426.601 4.319 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccs2)[C@@H]1c1ccccc1 ZINC000035972230 523809013 /nfs/dbraw/zinc/80/90/13/523809013.db2.gz SBHKVNWQVXYSJS-PKTZIBPZSA-N 0 0 434.561 4.034 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCc3ccccc3C2)C12CCCCC2 ZINC000020717945 523809470 /nfs/dbraw/zinc/80/94/70/523809470.db2.gz ATDUIPUOAAPHMY-XMMPIXPASA-N 0 0 432.564 4.160 50 0 IIAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCCOC)C3=O)s1 ZINC000021809907 523846939 /nfs/dbraw/zinc/84/69/39/523846939.db2.gz FUHCZMZQFJLKDU-DEOSSOPVSA-N 0 0 445.629 4.355 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767488 523848896 /nfs/dbraw/zinc/84/88/96/523848896.db2.gz GOVYVXJIQYVXHJ-OAQYLSRUSA-N 0 0 442.606 4.143 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32c3ccccc3NC2=O)c(OC)c1 ZINC000035569277 523877907 /nfs/dbraw/zinc/87/79/07/523877907.db2.gz NOVUODGDKKYXGN-SQJMNOBHSA-N 0 0 427.460 4.052 50 0 IIAARN COc1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c(OC)c1OC ZINC000012874239 523907190 /nfs/dbraw/zinc/90/71/90/523907190.db2.gz KQDBSVSLSSRYDC-UHFFFAOYSA-N 0 0 433.810 4.488 50 0 IIAARN CCc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021781113 523924549 /nfs/dbraw/zinc/92/45/49/523924549.db2.gz BZAUNQVGGZYFHA-SANMLTNESA-N 0 0 432.568 4.176 50 0 IIAARN CCc1ccc(CNC(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)cc1 ZINC000015735139 523932220 /nfs/dbraw/zinc/93/22/20/523932220.db2.gz UVCREAAFASSDOQ-UHFFFAOYSA-N 0 0 448.592 4.278 50 0 IIAARN CCc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000035770418 523978307 /nfs/dbraw/zinc/97/83/07/523978307.db2.gz XIJFEZRVVZTMBH-UHFFFAOYSA-N 0 0 428.510 4.415 50 0 IIAARN CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012752137 523994256 /nfs/dbraw/zinc/99/42/56/523994256.db2.gz PHRHXIJMLBNBFO-UHFFFAOYSA-N 0 0 448.910 4.045 50 0 IIAARN CN(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000034921552 524007336 /nfs/dbraw/zinc/00/73/36/524007336.db2.gz XVINSTFMLYXFCG-UHFFFAOYSA-N 0 0 426.542 4.343 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000022698452 524016391 /nfs/dbraw/zinc/01/63/91/524016391.db2.gz INDDGOSDVLYBEB-UHFFFAOYSA-N 0 0 437.569 4.492 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810513 524020998 /nfs/dbraw/zinc/02/09/98/524020998.db2.gz JQTQELQVQMGUNI-VWLOTQADSA-N 0 0 435.524 4.107 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810746 524021429 /nfs/dbraw/zinc/02/14/29/524021429.db2.gz PXWPDWJLNVPIQS-SANMLTNESA-N 0 0 449.551 4.415 50 0 IIAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)C2CCCC2)cc1 ZINC000036048260 524038656 /nfs/dbraw/zinc/03/86/56/524038656.db2.gz OKGLUIHKAGYSEC-HSZRJFAPSA-N 0 0 438.568 4.118 50 0 IIAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4cccs4)ccc3O[C@H](C)C2=O)cc1 ZINC000035885047 524042420 /nfs/dbraw/zinc/04/24/20/524042420.db2.gz MNVUUVFJXUUQDZ-MRXNPFEDSA-N 0 0 436.533 4.248 50 0 IIAARN COc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1OC ZINC000022706089 524052589 /nfs/dbraw/zinc/05/25/89/524052589.db2.gz SDADKNIOEFAUIL-UHFFFAOYSA-N 0 0 430.298 4.315 50 0 IIAARN COc1ccc(CNC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)cc1OC ZINC000020979409 524065326 /nfs/dbraw/zinc/06/53/26/524065326.db2.gz HNCJUNKPGPEKCQ-UHFFFAOYSA-N 0 0 430.508 4.227 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563244 524065703 /nfs/dbraw/zinc/06/57/03/524065703.db2.gz DTSCRMPJCUARBF-SFHVURJKSA-N 0 0 429.524 4.270 50 0 IIAARN COc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2F)cc1 ZINC000020664716 524073925 /nfs/dbraw/zinc/07/39/25/524073925.db2.gz UILNVCFXMNSVLA-UHFFFAOYSA-N 0 0 446.475 4.013 50 0 IIAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc(F)c(F)c4)c3s2)C1 ZINC000035533539 524110062 /nfs/dbraw/zinc/11/00/62/524110062.db2.gz ZTRYQTQIULOVHH-NSHDSACASA-N 0 0 435.525 4.332 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036055224 524120622 /nfs/dbraw/zinc/12/06/22/524120622.db2.gz WDQWUUNPEWFTEB-SFTDATJTSA-N 0 0 439.556 4.032 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)c1 ZINC000012139718 524125724 /nfs/dbraw/zinc/12/57/24/524125724.db2.gz PKVOLXYIUQXPQE-UHFFFAOYSA-N 0 0 428.945 4.139 50 0 IIAARN COc1ccc(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)c3ccco3)n2C)cc1 ZINC000012099816 524129585 /nfs/dbraw/zinc/12/95/85/524129585.db2.gz FIWAZSBNCDNSIB-HXUWFJFHSA-N 0 0 448.548 4.423 50 0 IIAARN Cc1cccc(-n2c(=S)n(CN3CCC[C@@H]3c3cccs3)nc2N2CCOCC2)c1 ZINC000012552209 524138025 /nfs/dbraw/zinc/13/80/25/524138025.db2.gz ANPCCCOLPQRKHV-LJQANCHMSA-N 0 0 441.626 4.404 50 0 IIAARN Cc1cccc(-n2ccnc2SCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1C ZINC000012547887 524143905 /nfs/dbraw/zinc/14/39/05/524143905.db2.gz IUXAZEXGKOESSN-UHFFFAOYSA-N 0 0 434.565 4.024 50 0 IIAARN Cc1cccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CS(=O)(=O)C3)c1C ZINC000020662368 524146657 /nfs/dbraw/zinc/14/66/57/524146657.db2.gz WKIQUDWVXPUYSZ-UHFFFAOYSA-N 0 0 439.581 4.072 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060413 524180780 /nfs/dbraw/zinc/18/07/80/524180780.db2.gz RMUKMXWYKOMRIL-RPWUZVMVSA-N 0 0 446.522 4.349 50 0 IIAARN Cc1ccc(C)c([C@H](C)CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000012581405 524208102 /nfs/dbraw/zinc/20/81/02/524208102.db2.gz BOALRKFSJTZTKS-RDOKFVIMSA-N 0 0 440.609 4.236 50 0 IIAARN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000020616863 524208348 /nfs/dbraw/zinc/20/83/48/524208348.db2.gz PNROTORGTWLEKM-UHFFFAOYSA-N 0 0 433.459 4.349 50 0 IIAARN Cc1ccc(C)n1-c1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N2CCCC2)CC1 ZINC000021102673 524217952 /nfs/dbraw/zinc/21/79/52/524217952.db2.gz AZCKYZBTJKTLEH-UHFFFAOYSA-N 0 0 431.584 4.427 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c(I)c1C ZINC000012372179 524221293 /nfs/dbraw/zinc/22/12/93/524221293.db2.gz CTNNWBWDQBXKKP-UHFFFAOYSA-N 0 0 447.704 4.185 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@H](c3cccs3)C2)o1 ZINC000012534498 524233153 /nfs/dbraw/zinc/23/31/53/524233153.db2.gz UIFMPJZLUKGLHW-IBGZPJMESA-N 0 0 436.537 4.141 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)[C@@H](c3ccco3)C2)cc1 ZINC000012532728 524233524 /nfs/dbraw/zinc/23/35/24/524233524.db2.gz OJZMXUFSQYIEOJ-UZLBHIALSA-N 0 0 435.307 4.393 50 0 IIAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)NCc4ccccc4Cl)c3s2)C1 ZINC000035533632 524248732 /nfs/dbraw/zinc/24/87/32/524248732.db2.gz XDVXWCOITBJCNP-CYBMUJFWSA-N 0 0 448.017 4.385 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000021577211 524257405 /nfs/dbraw/zinc/25/74/05/524257405.db2.gz XAPIDUKOUKNMKW-MOTZXUDYSA-N 0 0 433.474 4.243 50 0 IIAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Br)o3)nc21 ZINC000022889517 524261762 /nfs/dbraw/zinc/26/17/62/524261762.db2.gz ROIUDUPVECHEBP-NSHDSACASA-N 0 0 437.315 4.486 50 0 IIAARN Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1 ZINC000012821464 524274257 /nfs/dbraw/zinc/27/42/57/524274257.db2.gz XUWNVFXRWFFHLR-UHFFFAOYSA-N 0 0 430.913 4.336 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000012780879 524275789 /nfs/dbraw/zinc/27/57/89/524275789.db2.gz UWKTUELLLVKHIF-UHFFFAOYSA-N 0 0 435.499 4.099 50 0 IIAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c(C)c1 ZINC000022907596 524278131 /nfs/dbraw/zinc/27/81/31/524278131.db2.gz VPLGBBLCUNBUKP-QFIPXVFZSA-N 0 0 431.536 4.059 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(F)ccc21 ZINC000035535123 524284402 /nfs/dbraw/zinc/28/44/02/524284402.db2.gz RGNYMRGEKJRYIJ-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O ZINC000035425109 524284521 /nfs/dbraw/zinc/28/45/21/524284521.db2.gz KJUDWJGCXFFXIU-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c(C)c1 ZINC000016994289 524320204 /nfs/dbraw/zinc/32/02/04/524320204.db2.gz BSEQOFSJFUXHHH-UHFFFAOYSA-N 0 0 444.557 4.043 50 0 IIAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)n2n1 ZINC000012559521 524339963 /nfs/dbraw/zinc/33/99/63/524339963.db2.gz ZZPDMWPGLSOLLL-UHFFFAOYSA-N 0 0 428.517 4.483 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c3cc(C)cc2C)c(OC)c1 ZINC000058184020 524401661 /nfs/dbraw/zinc/40/16/61/524401661.db2.gz NTNNKKDTULKNDJ-RUZDIDTESA-N 0 0 429.476 4.198 50 0 IIAARN COc1ccccc1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021858818 524408558 /nfs/dbraw/zinc/40/85/58/524408558.db2.gz LCXQGRGSAAKKND-HHHXNRCGSA-N 0 0 447.579 4.269 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@H](C)C1=O ZINC000035884832 524411701 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4.173 50 0 IIAARN COc1ccccc1CNC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)F ZINC000012845145 524485950 /nfs/dbraw/zinc/48/59/50/524485950.db2.gz MQFNHQFKKKUHIP-RTBURBONSA-N 0 0 426.467 4.493 50 0 IIAARN COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000015825669 524520898 /nfs/dbraw/zinc/52/08/98/524520898.db2.gz LVPDQGKXRSYPRX-UHFFFAOYSA-N 0 0 432.343 4.433 50 0 IIAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2Cc2cccs2)c1 ZINC000009647859 524527805 /nfs/dbraw/zinc/52/78/05/524527805.db2.gz RMAHFUMWTDLDSV-UHFFFAOYSA-N 0 0 435.578 4.417 50 0 IIAARN Cc1cccc(N2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)c1C ZINC000012555769 524548589 /nfs/dbraw/zinc/54/85/89/524548589.db2.gz OHKBXXXUNLKLRG-HXUWFJFHSA-N 0 0 429.973 4.109 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1 ZINC000012224318 524550776 /nfs/dbraw/zinc/55/07/76/524550776.db2.gz TWNIVPFSMGGSQM-UHFFFAOYSA-N 0 0 433.512 4.248 50 0 IIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000012344264 524557149 /nfs/dbraw/zinc/55/71/49/524557149.db2.gz OCTTYQDJLWTPQY-HSZRJFAPSA-N 0 0 437.496 4.160 50 0 IIAARN Cc1cc(C)n2nc(N(Cc3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)nc2n1 ZINC000021660028 524570441 /nfs/dbraw/zinc/57/04/41/524570441.db2.gz WJFUQWMUCZJYMI-UHFFFAOYSA-N 0 0 441.944 4.098 50 0 IIAARN Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)c1C ZINC000012881139 524587159 /nfs/dbraw/zinc/58/71/59/524587159.db2.gz BMMCLYONQAOLCT-UHFFFAOYSA-N 0 0 431.330 4.126 50 0 IIAARN Cc1cccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000012866289 524591865 /nfs/dbraw/zinc/59/18/65/524591865.db2.gz XFNHZNNTQYCYOR-UHFFFAOYSA-N 0 0 426.870 4.213 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000021935962 524607119 /nfs/dbraw/zinc/60/71/19/524607119.db2.gz BRMYYOXNCMFXJA-IFXJQAMLSA-N 0 0 436.537 4.070 50 0 IIAARN Cc1cccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1 ZINC000032949151 524628004 /nfs/dbraw/zinc/62/80/04/524628004.db2.gz LZZDMYAHSOWLLJ-UHFFFAOYSA-N 0 0 432.476 4.428 50 0 IIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)cc1 ZINC000020616947 524629179 /nfs/dbraw/zinc/62/91/79/524629179.db2.gz UQBCESVPYKPIMV-FVDSYPCUSA-N 0 0 429.476 4.430 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)C3CCCC3)C3CC3)n2C(C)C)cc1 ZINC000036040417 524639719 /nfs/dbraw/zinc/63/97/19/524639719.db2.gz INQZKTFHUZXGRT-UHFFFAOYSA-N 0 0 443.613 4.428 50 0 IIAARN COc1ccc(NCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000021880757 524681096 /nfs/dbraw/zinc/68/10/96/524681096.db2.gz VDHGQNGKDIRKDG-UHFFFAOYSA-N 0 0 446.580 4.276 50 0 IIAARN Cc1cccc(Nc2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)s2)c1C ZINC000012553179 524700828 /nfs/dbraw/zinc/70/08/28/524700828.db2.gz IWAIBIIORLUHDW-MRXNPFEDSA-N 0 0 440.660 4.137 50 0 IIAARN C[C@@H]1CCc2c(sc3nc(SCCN4CCOCC4)n(C4CCCC4)c(=O)c32)C1 ZINC000012814279 524726388 /nfs/dbraw/zinc/72/63/88/524726388.db2.gz VTUIPEAIVLPLFS-OAHLLOKOSA-N 0 0 433.643 4.122 50 0 IIAARN Cc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 ZINC000016347061 524729329 /nfs/dbraw/zinc/72/93/29/524729329.db2.gz CLZWULPKOWQEBM-SQGPQFPESA-N 0 0 432.973 4.149 50 0 IIAARN COc1ccccc1[C@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)N(C)C ZINC000022679205 524791237 /nfs/dbraw/zinc/79/12/37/524791237.db2.gz BLBZVSBGDQZXFX-FQEVSTJZSA-N 0 0 446.638 4.362 50 0 IIAARN Cc1ccc(F)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000035528222 524818525 /nfs/dbraw/zinc/81/85/25/524818525.db2.gz HTUFJFTZTVHENQ-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)NC3CC(C)(C)CC(C)(C)C3)o2)c1 ZINC000012580264 524841959 /nfs/dbraw/zinc/84/19/59/524841959.db2.gz OHKTUTWCTBLJIS-UHFFFAOYSA-N 0 0 429.561 4.331 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)c1 ZINC000015774884 524858289 /nfs/dbraw/zinc/85/82/89/524858289.db2.gz PIGFQWSFYCUBJJ-UHFFFAOYSA-N 0 0 436.512 4.017 50 0 IIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccco1)Cc1cccs1)C2=O ZINC000012848429 524864428 /nfs/dbraw/zinc/86/44/28/524864428.db2.gz DMLOEPDVROPQOW-MWTRTKDXSA-N 0 0 443.569 4.007 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1 ZINC000021152697 524877496 /nfs/dbraw/zinc/87/74/96/524877496.db2.gz DGQLGYJDKZKSAI-UHFFFAOYSA-N 0 0 447.503 4.114 50 0 IIAARN Cc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1C ZINC000020867423 524899766 /nfs/dbraw/zinc/89/97/66/524899766.db2.gz FJDHOOTZBKQIJE-RTBURBONSA-N 0 0 438.977 4.371 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000012816168 524914241 /nfs/dbraw/zinc/91/42/41/524914241.db2.gz CCMZYQHUIQLREF-VMEIHUARSA-N 0 0 432.973 4.230 50 0 IIAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000012907457 524917436 /nfs/dbraw/zinc/91/74/36/524917436.db2.gz KGDDLCNAJUAMEW-UHFFFAOYSA-N 0 0 437.455 4.321 50 0 IIAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000012858173 524918869 /nfs/dbraw/zinc/91/88/69/524918869.db2.gz ZWTWXJZUUOVCIG-JHMXWDHMSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN 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Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000022908241 525004535 /nfs/dbraw/zinc/00/45/35/525004535.db2.gz UMANKSOBDSARKZ-QFIPXVFZSA-N 0 0 433.577 4.219 50 0 IIAARN C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C(F)(F)F)N2C1=O ZINC000021052625 525005209 /nfs/dbraw/zinc/00/52/09/525005209.db2.gz VFMPDUPERZKANU-LLVKDONJSA-N 0 0 432.427 4.056 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000022908238 525007278 /nfs/dbraw/zinc/00/72/78/525007278.db2.gz UMANKSOBDSARKZ-JOCHJYFZSA-N 0 0 433.577 4.219 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(F)c4)ccc32)cc1 ZINC000016954458 525033938 /nfs/dbraw/zinc/03/39/38/525033938.db2.gz YKFWSUVWPGYBML-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000022186283 525055438 /nfs/dbraw/zinc/05/54/38/525055438.db2.gz HHRXJZXMJIWECU-UHFFFAOYSA-N 0 0 433.430 4.121 50 0 IIAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1C ZINC000022767475 525064809 /nfs/dbraw/zinc/06/48/09/525064809.db2.gz BJFLNSIUDGMMEF-JOCHJYFZSA-N 0 0 442.606 4.143 50 0 IIAARN C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000012778451 525081484 /nfs/dbraw/zinc/08/14/84/525081484.db2.gz DWNJOYKHZZIYFX-INIZCTEOSA-N 0 0 435.977 4.075 50 0 IIAARN C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000012778474 525081776 /nfs/dbraw/zinc/08/17/76/525081776.db2.gz KYGGJPOVPNLCOH-INIZCTEOSA-N 0 0 435.977 4.075 50 0 IIAARN C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Cl ZINC000012779708 525083278 /nfs/dbraw/zinc/08/32/78/525083278.db2.gz JMASOMYTUGCFCL-INIZCTEOSA-N 0 0 435.977 4.075 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)cc1C ZINC000033284398 525085753 /nfs/dbraw/zinc/08/57/53/525085753.db2.gz DXTQZVFHEBGDBH-UHFFFAOYSA-N 0 0 449.511 4.468 50 0 IIAARN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000012816328 525089730 /nfs/dbraw/zinc/08/97/30/525089730.db2.gz CCFOQKQPIXGVSY-GFCCVEGCSA-N 0 0 430.751 4.144 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc3c(Cc4ccccc4OC)noc3c2)cc1 ZINC000020727643 525091638 /nfs/dbraw/zinc/09/16/38/525091638.db2.gz NFPDITLWRSHCGJ-UHFFFAOYSA-N 0 0 425.462 4.204 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)c(C)c1 ZINC000035535299 525103167 /nfs/dbraw/zinc/10/31/67/525103167.db2.gz KBOHPEHLGBHDNC-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(Cl)cc1Cl ZINC000012567036 525126899 /nfs/dbraw/zinc/12/68/99/525126899.db2.gz BOBYQHJFBLYVTQ-PWSUYJOCSA-N 0 0 447.413 4.405 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCCC(C)C ZINC000021862911 525135010 /nfs/dbraw/zinc/13/50/10/525135010.db2.gz AXWABUUERRRDSN-RUZDIDTESA-N 0 0 434.540 4.029 50 0 IIAARN Cc1ccccc1CN1CC(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000021663013 525135581 /nfs/dbraw/zinc/13/55/81/525135581.db2.gz PXFNUIRZYZHLJJ-UHFFFAOYSA-N 0 0 440.952 4.386 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)n(-c2ccccc2)n1 ZINC000012599381 525159222 /nfs/dbraw/zinc/15/92/22/525159222.db2.gz CQJRWCIBUZHYEA-UHFFFAOYSA-N 0 0 435.509 4.182 50 0 IIAARN COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561000 525172429 /nfs/dbraw/zinc/17/24/29/525172429.db2.gz GPEUKODFRZLGSU-GOSISDBHSA-N 0 0 437.521 4.195 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccco1 ZINC000015678079 525202094 /nfs/dbraw/zinc/20/20/94/525202094.db2.gz QDAYKJKEFRZVLE-RUZDIDTESA-N 0 0 434.540 4.273 50 0 IIAARN CS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1F ZINC000012775109 525215550 /nfs/dbraw/zinc/21/55/50/525215550.db2.gz BLJUHUKLAITCAH-UHFFFAOYSA-N 0 0 426.535 4.046 50 0 IIAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012437649 525234870 /nfs/dbraw/zinc/23/48/70/525234870.db2.gz RATPPXZBRYLSJT-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308266 525236666 /nfs/dbraw/zinc/23/66/66/525236666.db2.gz JKAIMHPEHXKXET-KRWDZBQOSA-N 0 0 442.475 4.073 50 0 IIAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035961987 525238473 /nfs/dbraw/zinc/23/84/73/525238473.db2.gz XRMYTAGEHQUVRY-DEOSSOPVSA-N 0 0 449.551 4.030 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000016176165 525240836 /nfs/dbraw/zinc/24/08/36/525240836.db2.gz AIAYAICUGPVYED-QFIPXVFZSA-N 0 0 430.570 4.139 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(CN2CCN(Cc3cccs3)CC2)cs1 ZINC000022788885 525244341 /nfs/dbraw/zinc/24/43/41/525244341.db2.gz LCUOKCTVNYPIPO-UHFFFAOYSA-N 0 0 426.611 4.012 50 0 IIAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c1 ZINC000023403235 525251568 /nfs/dbraw/zinc/25/15/68/525251568.db2.gz TVJYDBYMJZPJAV-HNNXBMFYSA-N 0 0 431.432 4.128 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000241588478 525252176 /nfs/dbraw/zinc/25/21/76/525252176.db2.gz PDNHLPUBXKDLRW-XYPHTWIQSA-N 0 0 445.972 4.221 50 0 IIAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000012293704 525320768 /nfs/dbraw/zinc/32/07/68/525320768.db2.gz ZBETZEORHNMJIG-GOSISDBHSA-N 0 0 436.533 4.152 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4)o3)CC2)c(F)c1 ZINC000009979401 534847869 /nfs/dbraw/zinc/84/78/69/534847869.db2.gz KDAQHOFNMCRFDI-UHFFFAOYSA-N 0 0 439.462 4.104 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000017963103 525336378 /nfs/dbraw/zinc/33/63/78/525336378.db2.gz RLKVUHPWQWMXTM-VXGBXAGGSA-N 0 0 427.353 4.195 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561237 525344683 /nfs/dbraw/zinc/34/46/83/525344683.db2.gz LGLWVDZDHBTDSV-QFIPXVFZSA-N 0 0 448.494 4.247 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 ZINC000024393459 525407438 /nfs/dbraw/zinc/40/74/38/525407438.db2.gz FHLLVBIGZIXXAQ-AUSIDOKSSA-N 0 0 449.551 4.305 50 0 IIAARN Cc1nc(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)[nH]c1Cc1ccccc1 ZINC000012540681 525413796 /nfs/dbraw/zinc/41/37/96/525413796.db2.gz RANJEPHOFFOTMM-UHFFFAOYSA-N 0 0 431.565 4.245 50 0 IIAARN Cc1nc(SCC(=O)NCc2cccc(NC(=O)C3CC3)c2)[nH]c1Cc1ccccc1 ZINC000022252842 525413815 /nfs/dbraw/zinc/41/38/15/525413815.db2.gz MXWIPYQIXGFSOM-UHFFFAOYSA-N 0 0 434.565 4.066 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062036 525422089 /nfs/dbraw/zinc/42/20/89/525422089.db2.gz UQERVYLBGLWPSD-PKTZIBPZSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCCC2)cc1 ZINC000036041849 525422783 /nfs/dbraw/zinc/42/27/83/525422783.db2.gz UGCKEBHTKPUBJO-FGZHOGPDSA-N 0 0 426.944 4.217 50 0 IIAARN COc1ccc([C@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020506809 525428042 /nfs/dbraw/zinc/42/80/42/525428042.db2.gz UJYGNNWWRGHYOS-DQEYMECFSA-N 0 0 434.561 4.306 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2cccc(C)c2)cc1 ZINC000012628698 525502431 /nfs/dbraw/zinc/50/24/31/525502431.db2.gz YUWNQOAYLUTJBR-UHFFFAOYSA-N 0 0 448.588 4.079 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000024574712 525527959 /nfs/dbraw/zinc/52/79/59/525527959.db2.gz OXQIADNCDLSOPA-UHFFFAOYSA-N 0 0 437.565 4.142 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)C2)s1 ZINC000012522049 525531586 /nfs/dbraw/zinc/53/15/86/525531586.db2.gz OIJLCANVGYIRMB-GOSISDBHSA-N 0 0 447.626 4.086 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1C ZINC000012806137 525543285 /nfs/dbraw/zinc/54/32/85/525543285.db2.gz CHXXKGUPZDGWOZ-KRWDZBQOSA-N 0 0 448.539 4.116 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Br)o3)CC1)c1cccn1-2 ZINC000035399508 525551840 /nfs/dbraw/zinc/55/18/40/525551840.db2.gz FBADJBQWCAWQSD-UHFFFAOYSA-N 0 0 442.313 4.398 50 0 biogenic IIAARN Cc1c(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cnn1-c1cccc(C)c1 ZINC000012789043 525580384 /nfs/dbraw/zinc/58/03/84/525580384.db2.gz ONRKAHZZVAQMKG-UHFFFAOYSA-N 0 0 438.531 4.241 50 0 IIAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCc1c(C)nc2ncnn2c1C ZINC000012547955 525608733 /nfs/dbraw/zinc/60/87/33/525608733.db2.gz XRHSYDRNQFBQLT-UHFFFAOYSA-N 0 0 443.486 4.075 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)c3ccccc3)c2)cc1F ZINC000012731236 525611068 /nfs/dbraw/zinc/61/10/68/525611068.db2.gz RWMWNOMBGRJJAO-KRWDZBQOSA-N 0 0 426.513 4.468 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3cnc4ccccc4n3)cc2CN(Cc2ccccc2)C1=O ZINC000035908948 525611627 /nfs/dbraw/zinc/61/16/27/525611627.db2.gz KPMMVNGPKQMSOM-KRWDZBQOSA-N 0 0 438.487 4.192 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC3=CCCCC3)C(C)(C)S[C@@H]21 ZINC000012871204 525612008 /nfs/dbraw/zinc/61/20/08/525612008.db2.gz PAPDQYMMGUWAAG-KNQAVFIVSA-N 0 0 430.570 4.059 50 0 biogenic IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCCOC(C)C)C3=O)o1 ZINC000021811836 525618267 /nfs/dbraw/zinc/61/82/67/525618267.db2.gz QMRNUJPDEQIKGG-VWLOTQADSA-N 0 0 443.588 4.411 50 0 IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccn2)C3=O)o1 ZINC000021811847 525619055 /nfs/dbraw/zinc/61/90/55/525619055.db2.gz FSCWTMOCZIFFOV-RUZDIDTESA-N 0 0 434.540 4.191 50 0 IIAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N(C4=CCCCC4)C4CC4)C3=O)ccc2c1 ZINC000012907021 525643102 /nfs/dbraw/zinc/64/31/02/525643102.db2.gz DGUGYNJITFDGPQ-SANMLTNESA-N 0 0 447.535 4.064 50 0 IIAARN Cc1ccc(SCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000020582909 525650934 /nfs/dbraw/zinc/65/09/34/525650934.db2.gz PEPLUJDEWZBOPG-MRXNPFEDSA-N 0 0 438.578 4.406 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000032559902 525679312 /nfs/dbraw/zinc/67/93/12/525679312.db2.gz HACVBDRZMDDGTN-IBGZPJMESA-N 0 0 439.537 4.189 50 0 IIAARN C[C@H](Nc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21)c1ccccc1 ZINC000041153797 525679744 /nfs/dbraw/zinc/67/97/44/525679744.db2.gz VVBFLLONUUAULW-SFHVURJKSA-N 0 0 427.508 4.358 50 0 IIAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12 ZINC000020597581 525686415 /nfs/dbraw/zinc/68/64/15/525686415.db2.gz HSQJTMZXWIDQLT-UHFFFAOYSA-N 0 0 425.960 4.022 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021785981 525718039 /nfs/dbraw/zinc/71/80/39/525718039.db2.gz IYZRMXWXBYLULI-LJQANCHMSA-N 0 0 444.940 4.133 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc(-n3cnnn3)c2)s1 ZINC000014998390 525719084 /nfs/dbraw/zinc/71/90/84/525719084.db2.gz BKVSPEQVVSNYQK-OAQYLSRUSA-N 0 0 430.537 4.462 50 0 IIAARN COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3OC)no2)c1 ZINC000033325080 525720043 /nfs/dbraw/zinc/72/00/43/525720043.db2.gz YTAUYZHZJBKQOE-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)NC5CCCCCC5)n4ccn3n2)cc1C ZINC000033262358 525740014 /nfs/dbraw/zinc/74/00/14/525740014.db2.gz MWUQLRDMEFKIHX-UHFFFAOYSA-N 0 0 430.556 4.432 50 0 IIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(F)c3)n2)cc1NC(=O)C(C)C ZINC000016625646 525744834 /nfs/dbraw/zinc/74/48/34/525744834.db2.gz QFTUPRTWYGUTLL-MRXNPFEDSA-N 0 0 436.487 4.152 50 0 IIAARN COc1cccc(-n2nnc(-c3nsc(NC(=O)c4cccc(Cl)c4)n3)c2C)c1 ZINC000020597780 525755745 /nfs/dbraw/zinc/75/57/45/525755745.db2.gz NMMXVBLXSHNHQB-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000015669358 525788195 /nfs/dbraw/zinc/78/81/95/525788195.db2.gz MMVZBNUZPNJPIJ-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3nc4c(ccc(Cl)c4C)s3)CC2)c1OC ZINC000012342255 525803803 /nfs/dbraw/zinc/80/38/03/525803803.db2.gz QOXYBLZOHFUHBM-UHFFFAOYSA-N 0 0 431.945 4.238 50 0 IIAARN COc1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)c1 ZINC000014990165 525820004 /nfs/dbraw/zinc/82/00/04/525820004.db2.gz BLNHYZOFWHRRRQ-QGZVFWFLSA-N 0 0 441.940 4.261 50 0 IIAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(=O)C1CCC1)C1CC1 ZINC000035808087 525840567 /nfs/dbraw/zinc/84/05/67/525840567.db2.gz JFVDIYRNQZVNAA-UHFFFAOYSA-N 0 0 440.565 4.105 50 0 IIAARN COc1cccc(C2=N/C(=C\c3ccc(OCc4csc(C)n4)c(OC)c3)C(=O)O2)c1 ZINC000012857178 525856171 /nfs/dbraw/zinc/85/61/71/525856171.db2.gz QDVCSHZMINVLLJ-OCKHKDLRSA-N 0 0 436.489 4.392 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000035963098 525858404 /nfs/dbraw/zinc/85/84/04/525858404.db2.gz UZWQBNDZIHBHRJ-JOCHJYFZSA-N 0 0 436.556 4.121 50 0 IIAARN COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)c2ccc(SC)cc2)CC3)c1 ZINC000011841723 525898782 /nfs/dbraw/zinc/89/87/82/525898782.db2.gz LVDBCGVIPDDQBQ-JOCHJYFZSA-N 0 0 438.593 4.018 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2Cl)cc1 ZINC000035848219 525899336 /nfs/dbraw/zinc/89/93/36/525899336.db2.gz DFZNTFLONWVKLE-QGZVFWFLSA-N 0 0 442.972 4.283 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3c(cc(C)cc3C)c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012111540 525905200 /nfs/dbraw/zinc/90/52/00/525905200.db2.gz PGYGKSPLOLOHHC-LJQANCHMSA-N 0 0 441.549 4.196 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2cccc(F)c2)c1 ZINC000021872171 525928932 /nfs/dbraw/zinc/92/89/32/525928932.db2.gz ZVOOYOLGYUYMIO-QFIPXVFZSA-N 0 0 447.466 4.201 50 0 IIAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cn(C)c3ccccc3c2=O)cc1 ZINC000012702533 525931765 /nfs/dbraw/zinc/93/17/65/525931765.db2.gz NPLYNPRWFFJIQI-JOCHJYFZSA-N 0 0 440.547 4.476 50 0 IIAARN CC(=O)c1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708838 534892710 /nfs/dbraw/zinc/89/27/10/534892710.db2.gz MCFMPYWBLOBKSF-UHFFFAOYSA-N 0 0 442.882 4.191 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012930819 525937129 /nfs/dbraw/zinc/93/71/29/525937129.db2.gz TWZNWLVJKREPSR-INIZCTEOSA-N 0 0 428.485 4.057 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605575 525937241 /nfs/dbraw/zinc/93/72/41/525937241.db2.gz NLFJTHHFEADASB-KRWDZBQOSA-N 0 0 425.529 4.061 50 0 IIAARN Cc1cn2c(nc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)cc2=O)s1 ZINC000035475924 525941603 /nfs/dbraw/zinc/94/16/03/525941603.db2.gz LUMBDSRZDMRUDQ-INIZCTEOSA-N 0 0 435.505 4.049 50 0 IIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000021894977 525943544 /nfs/dbraw/zinc/94/35/44/525943544.db2.gz QTQCNXTWUCTTNN-CQSZACIVSA-N 0 0 448.972 4.159 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)Cc4cccs4)ccc3O[C@@H](C)C2=O)c1 ZINC000035909283 525960033 /nfs/dbraw/zinc/96/00/33/525960033.db2.gz OKYLSLMRKSKANF-INIZCTEOSA-N 0 0 436.533 4.248 50 0 IIAARN C[C@@H](Sc1ccccc1C(=O)NCC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000012795962 525994967 /nfs/dbraw/zinc/99/49/67/525994967.db2.gz HYGSZLFJMIMERV-CYBMUJFWSA-N 0 0 434.508 4.429 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417438 525995404 /nfs/dbraw/zinc/99/54/04/525995404.db2.gz LMFPPCWJMWWXSQ-UHFFFAOYSA-N 0 0 438.890 4.294 50 0 IIAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000012364863 526000714 /nfs/dbraw/zinc/00/07/14/526000714.db2.gz XFPXURTXEAZLED-QGZVFWFLSA-N 0 0 444.560 4.341 50 0 IIAARN C[C@@H](Sc1nc2cc(Br)cnc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000012520120 526002708 /nfs/dbraw/zinc/00/27/08/526002708.db2.gz SKNZAKAGRHAMQB-IAQYHMDHSA-N 0 0 431.359 4.395 50 0 IIAARN C[C@H](Sc1ncnc2c3ccccc3oc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012693732 526006552 /nfs/dbraw/zinc/00/65/52/526006552.db2.gz ADYRHIGKESNEJI-KRWDZBQOSA-N 0 0 432.549 4.201 50 0 IIAARN C[C@H](C(=O)NCc1cc(F)ccc1Br)N1C(=S)N=NC1c1cccs1 ZINC000065476552 526075128 /nfs/dbraw/zinc/07/51/28/526075128.db2.gz UKFIAFURYOLUOM-SECBINFHSA-N 0 0 441.351 4.074 50 0 IIAARN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000012509601 526100876 /nfs/dbraw/zinc/10/08/76/526100876.db2.gz BNCRPRASWFQBQY-LJQANCHMSA-N 0 0 434.565 4.257 50 0 IIAARN CSc1cccc2sc(N3CCN(C(=O)/C=C\c4ccc5c(c4)OCO5)CC3)nc21 ZINC000035590376 526145142 /nfs/dbraw/zinc/14/51/42/526145142.db2.gz TZMIIFYFVOVOBF-VURMDHGXSA-N 0 0 439.562 4.109 50 0 IIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000012818614 526158098 /nfs/dbraw/zinc/15/80/98/526158098.db2.gz HKXDFFKGVBURBF-UHFFFAOYSA-N 0 0 448.748 4.351 50 0 IIAARN CSc1ccccc1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022834221 526167605 /nfs/dbraw/zinc/16/76/05/526167605.db2.gz SEIDKOSIOVDESK-UHFFFAOYSA-N 0 0 438.622 4.288 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(SC)nc3sc4c(c32)CCN(C)C4)c1 ZINC000020461596 526177260 /nfs/dbraw/zinc/17/72/60/526177260.db2.gz JPSFPEBENGFCSZ-UHFFFAOYSA-N 0 0 446.623 4.141 50 0 IIAARN COc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 ZINC000020939600 526182908 /nfs/dbraw/zinc/18/29/08/526182908.db2.gz DQAAQISPUYVDQS-UHFFFAOYSA-N 0 0 434.521 4.416 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000012342273 526219023 /nfs/dbraw/zinc/21/90/23/526219023.db2.gz MKQAAWALKSBVED-UHFFFAOYSA-N 0 0 429.476 4.272 50 0 IIAARN Cc1ccc(C(=O)OCC(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 ZINC000023285675 526237199 /nfs/dbraw/zinc/23/71/99/526237199.db2.gz LTUVWOCYHDBJGH-UHFFFAOYSA-N 0 0 446.503 4.235 50 0 IIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579561 526241541 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VHGRUYZLXPRBTO-VWLOTQADSA-N 0 0 426.520 4.173 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(NC(=O)C2=CSCCO2)c1 ZINC000021019494 526392111 /nfs/dbraw/zinc/39/21/11/526392111.db2.gz DNGCHYMDMHFVCJ-UHFFFAOYSA-N 0 0 441.940 4.337 50 0 IIAARN O=C(CCC1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012304742 526408876 /nfs/dbraw/zinc/40/88/76/526408876.db2.gz CHJJWTBPMOXUIJ-UHFFFAOYSA-N 0 0 448.611 4.401 50 0 IIAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000012910558 526419581 /nfs/dbraw/zinc/41/95/81/526419581.db2.gz BYSULFJURMNORP-UHFFFAOYSA-N 0 0 434.879 4.461 50 0 IIAARN O=C(O[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000012659080 526435860 /nfs/dbraw/zinc/43/58/60/526435860.db2.gz DNPZOTRCZLEXQU-UKPGDCENSA-N 0 0 444.524 4.089 50 0 biogenic IIAARN O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000033140221 526454228 /nfs/dbraw/zinc/45/42/28/526454228.db2.gz PWCOZWGYRWNJNQ-UHFFFAOYSA-N 0 0 443.569 4.222 50 0 IIAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000021152042 526465882 /nfs/dbraw/zinc/46/58/82/526465882.db2.gz SXNBCMOWWDGYPI-UHFFFAOYSA-N 0 0 445.972 4.431 50 0 IIAARN O=C(CCCc1nc2ccccc2s1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012789168 526466787 /nfs/dbraw/zinc/46/67/87/526466787.db2.gz XWPBIEZMPVYEQE-UHFFFAOYSA-N 0 0 427.957 4.257 50 0 IIAARN c1ccc(Cc2nnc(SCc3nnnn3-c3ccccc3)n2-c2ccccc2)cc1 ZINC000012105880 526478244 /nfs/dbraw/zinc/47/82/44/526478244.db2.gz NDGNKDWLMBAWFD-UHFFFAOYSA-N 0 0 425.521 4.126 50 0 IIAARN O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1csc(-c2ccccc2)n1 ZINC000042379845 526478747 /nfs/dbraw/zinc/47/87/47/526478747.db2.gz ILXXGMBLMRLHRP-UHFFFAOYSA-N 0 0 436.924 4.117 50 0 IIAARN O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012824429 526506258 /nfs/dbraw/zinc/50/62/58/526506258.db2.gz DAIXWPUBDNMKIU-NASGJUIXSA-N 0 0 446.497 4.498 50 0 IIAARN O=C(CCOc1ccccc1)N(CCN1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000020742839 526531403 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O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000041091621 526647888 /nfs/dbraw/zinc/64/78/88/526647888.db2.gz RVWZKMXGRLCWEW-UHFFFAOYSA-N 0 0 441.516 4.362 50 0 IIAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012528003 526657851 /nfs/dbraw/zinc/65/78/51/526657851.db2.gz GBLJPNCGCKMAQI-UHFFFAOYSA-N 0 0 438.531 4.059 50 0 IIAARN O=C(CCc1nnc(CCCc2ccccc2)o1)NCc1ccc(OC(F)(F)F)cc1 ZINC000012385711 526664050 /nfs/dbraw/zinc/66/40/50/526664050.db2.gz KECMXKACIOTJCY-UHFFFAOYSA-N 0 0 433.430 4.393 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012886494 526673206 /nfs/dbraw/zinc/67/32/06/526673206.db2.gz XADZWCNKQGOSMJ-LADGPHEKSA-N 0 0 425.463 4.093 50 0 biogenic IIAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000012735208 526701616 /nfs/dbraw/zinc/70/16/16/526701616.db2.gz FUGVJWZOZQAJIC-UHFFFAOYSA-N 0 0 439.320 4.416 50 0 IIAARN O=C(CN1C(=O)CN(c2ccc(Br)cc2)C1=O)Nc1ccc2ccccc2c1 ZINC000016400936 526708557 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O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012508152 526777879 /nfs/dbraw/zinc/77/78/79/526777879.db2.gz XLPNCIZPOQERBB-OXQOHEQNSA-N 0 0 442.537 4.011 50 0 IIAARN O=C(c1cccc2ccccc21)[C@@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000012459681 526785524 /nfs/dbraw/zinc/78/55/24/526785524.db2.gz DSZIVKHBSWEICZ-HXUWFJFHSA-N 0 0 427.504 4.105 50 0 IIAARN O=C(NCc1cnn(Cc2ccccc2)c1)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012429632 526807758 /nfs/dbraw/zinc/80/77/58/526807758.db2.gz NBAUIHYCPGAIRX-UHFFFAOYSA-N 0 0 448.530 4.091 50 0 IIAARN O=C(NCc1nnc(SCc2ccncc2)n1-c1ccc(F)cc1)C1CCCCC1 ZINC000015070315 526835814 /nfs/dbraw/zinc/83/58/14/526835814.db2.gz YXOHRNUDLXFRJP-UHFFFAOYSA-N 0 0 425.533 4.290 50 0 IIAARN O=C(NCc1noc(-c2ccc(C(F)(F)F)cn2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000091694982 526840208 /nfs/dbraw/zinc/84/02/08/526840208.db2.gz DFMNEQMUWMBYFV-UHFFFAOYSA-N 0 0 431.296 4.491 50 0 IIAARN O=C(CNC(=O)c1ccccc1F)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012774739 526864631 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O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000021966859 526917099 /nfs/dbraw/zinc/91/70/99/526917099.db2.gz DNOWCXMYQYIVTA-UHFFFAOYSA-N 0 0 432.520 4.181 50 0 IIAARN O=C(COC(=O)c1n[nH]c2ccccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000012629770 526918224 /nfs/dbraw/zinc/91/82/24/526918224.db2.gz JQQROOZEOMVJHB-INIZCTEOSA-N 0 0 436.518 4.221 50 0 IIAARN O=C(COCc1nc2ccccc2s1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012569304 526942935 /nfs/dbraw/zinc/94/29/35/526942935.db2.gz GRKMJXHJNKVYOC-UHFFFAOYSA-N 0 0 431.561 4.311 50 0 IIAARN O=C(N[C@@H]1CCSc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000013113225 526946452 /nfs/dbraw/zinc/94/64/52/526946452.db2.gz LJVCQAWIUPZQOM-OAQYLSRUSA-N 0 0 427.529 4.412 50 0 IIAARN O=C(COc1cccc(Oc2ccccn2)c1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000012527958 526978296 /nfs/dbraw/zinc/97/82/96/526978296.db2.gz OCYLYFANSGNTDT-UHFFFAOYSA-N 0 0 443.459 4.414 50 0 IIAARN O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1Cc1ccccc1F ZINC000021662994 527005079 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O=C(CSc1ncnc2nc(N3CCCCC3)sc21)NCCc1ccc(Cl)cc1 ZINC000035532812 527073317 /nfs/dbraw/zinc/07/33/17/527073317.db2.gz VMAUZWYVOBXUHM-UHFFFAOYSA-N 0 0 448.017 4.181 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCSCC3)sc21)Nc1ccccc1Cl ZINC000035532838 527075149 /nfs/dbraw/zinc/07/51/49/527075149.db2.gz RHSXQYMXMXLXCC-UHFFFAOYSA-N 0 0 438.003 4.024 50 0 IIAARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012825640 527087853 /nfs/dbraw/zinc/08/78/53/527087853.db2.gz VXYTVWQEMFKRIJ-UHFFFAOYSA-N 0 0 429.509 4.005 50 0 IIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000012603766 527088958 /nfs/dbraw/zinc/08/89/58/527088958.db2.gz WYDXVXHNENQFIF-UHFFFAOYSA-N 0 0 427.432 4.250 50 0 IIAARN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012428412 527090063 /nfs/dbraw/zinc/09/00/63/527090063.db2.gz FNRONSOACUQDAH-OAHLLOKOSA-N 0 0 433.744 4.439 50 0 IIAARN O=C1Nc2ccccc2Oc2cc(Cl)c(S(=O)(=O)N3CCc4ccccc43)cc21 ZINC000035511627 527090565 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527278759 /nfs/dbraw/zinc/27/87/59/527278759.db2.gz LSLBCQDKBFKWOW-HXUWFJFHSA-N 0 0 427.501 4.280 50 0 IIAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 ZINC000021709837 527327125 /nfs/dbraw/zinc/32/71/25/527327125.db2.gz LMSORPZFXQPLED-HSZRJFAPSA-N 0 0 441.531 4.108 50 0 IIAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1cccc(Cl)c1 ZINC000012376468 527350889 /nfs/dbraw/zinc/35/08/89/527350889.db2.gz VORGUCVYCYKOLO-UHFFFAOYSA-N 0 0 445.906 4.224 50 0 biogenic,in-vitro IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc2c(c1)OCCO2 ZINC000012414511 527353402 /nfs/dbraw/zinc/35/34/02/527353402.db2.gz QVDYWRDOASYARB-UHFFFAOYSA-N 0 0 447.878 4.127 50 0 IIAARN O=C(Cn1c2ccccc2nc1-c1cscn1)NCCc1ccc(OC(F)F)cc1 ZINC000012556640 527359834 /nfs/dbraw/zinc/35/98/34/527359834.db2.gz QKGWLBSONILTIB-UHFFFAOYSA-N 0 0 428.464 4.120 50 0 IIAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)Nc3cc(F)ccc3F)CC2)s1 ZINC000033114106 527400926 /nfs/dbraw/zinc/40/09/26/527400926.db2.gz 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Nc1c2c(nn1Cc1ccccc1)nc(NC[C@H]1CCCO1)nc2-c1ccccc1Cl ZINC000035929707 527437781 /nfs/dbraw/zinc/43/77/81/527437781.db2.gz MLOYSSWFPKBHNH-MRXNPFEDSA-N 0 0 434.931 4.368 50 0 IIAARN Cn1ccnc1[C@H](O)c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000012428195 527468118 /nfs/dbraw/zinc/46/81/18/527468118.db2.gz DQBFGFIPCNPZQU-JOCHJYFZSA-N 0 0 433.489 4.202 50 0 IIAARN O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1 ZINC000021885158 527515225 /nfs/dbraw/zinc/51/52/25/527515225.db2.gz OITTYHVREQNVGD-MRXNPFEDSA-N 0 0 436.537 4.267 50 0 IIAARN O=C(NC1CCCCCC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053082 527520358 /nfs/dbraw/zinc/52/03/58/527520358.db2.gz UGPKWPSZBMKQCV-UHFFFAOYSA-N 0 0 447.645 4.304 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c2nc(C)nc(NCCNC(=O)c3ccc(Cl)cc3)c12 ZINC000035993119 527535295 /nfs/dbraw/zinc/53/52/95/527535295.db2.gz BRFVRQFZMIOFPI-UHFFFAOYSA-N 0 0 434.931 4.236 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(I)cc1 ZINC000018132348 527539436 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Cn1ncc2c3ccccc3n(CCCC(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O ZINC000035372255 527587896 /nfs/dbraw/zinc/58/78/96/527587896.db2.gz LLXRBBIJZIRXGH-UHFFFAOYSA-N 0 0 442.563 4.150 50 0 IIAARN O=C(/C=C/c1cc(Br)ccc1F)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012787428 527602114 /nfs/dbraw/zinc/60/21/14/527602114.db2.gz RJHDOYBJQLVYFD-RMKNXTFCSA-N 0 0 431.305 4.479 50 0 IIAARN O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012543164 527622688 /nfs/dbraw/zinc/62/26/88/527622688.db2.gz VXWJDNXTIREMKU-FOCLMDBBSA-N 0 0 443.503 4.102 50 0 IIAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000012105900 527649380 /nfs/dbraw/zinc/64/93/80/527649380.db2.gz QPOKHZTXXYDODH-GOSISDBHSA-N 0 0 446.580 4.328 50 0 IIAARN O=C(NCCCN1CCOCC1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000020466655 527671884 /nfs/dbraw/zinc/67/18/84/527671884.db2.gz FPAJZNBPRAWWBR-UHFFFAOYSA-N 0 0 429.973 4.425 50 0 IIAARN COc1ccc(Cc2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cc1OC ZINC000013005072 536533967 /nfs/dbraw/zinc/53/39/67/536533967.db2.gz NEOBPNYCQLJZTH-UHFFFAOYSA-N 0 0 444.578 4.130 50 0 IIAARN CCOCCCNC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000009692976 535544385 /nfs/dbraw/zinc/54/43/85/535544385.db2.gz NSLBTCOQRISMNR-AUSIDOKSSA-N 0 0 440.609 4.490 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000008739245 535856300 /nfs/dbraw/zinc/85/63/00/535856300.db2.gz ZOCGGZZQBTWWMG-IUKKYPGJSA-N 0 0 436.556 4.356 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(C)o3)CC2)c2cc(C)ccc2O1 ZINC000006847049 536117380 /nfs/dbraw/zinc/11/73/80/536117380.db2.gz WZHRLJOGLAORBB-IBGZPJMESA-N 0 0 425.529 4.022 50 0 IIAARN CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000009155780 536483721 /nfs/dbraw/zinc/48/37/21/536483721.db2.gz SIBDKYDPLHFNGZ-UHFFFAOYSA-N 0 0 427.932 4.287 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)n2)cc1F ZINC000009803205 536497779 /nfs/dbraw/zinc/49/77/79/536497779.db2.gz PIBBFESAQKYSMN-ZDUSSCGKSA-N 0 0 441.484 4.101 50 0 IIAARN COc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1OC ZINC000010273736 536661561 /nfs/dbraw/zinc/66/15/61/536661561.db2.gz FYIHIPBYPYFLJI-UHFFFAOYSA-N 0 0 438.505 4.348 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3nnc(C4CC4)s3)C2=O)cc1OC ZINC000009128650 536664928 /nfs/dbraw/zinc/66/49/28/536664928.db2.gz LNIIOYDMSXBYLK-ATVHPVEESA-N 0 0 448.504 4.073 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cn3)C2=O)c(OC)c1 ZINC000002440328 536665367 /nfs/dbraw/zinc/66/53/67/536665367.db2.gz SIORJIKZLXQGLF-QGOAFFKASA-N 0 0 435.867 4.392 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000010680580 536968551 /nfs/dbraw/zinc/96/85/51/536968551.db2.gz QHUKAYHGLQXMMC-UHFFFAOYSA-N 0 0 426.567 4.422 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004122851 537001797 /nfs/dbraw/zinc/00/17/97/537001797.db2.gz WJGBNPAGWNDCML-UHFFFAOYSA-N 0 0 429.520 4.218 50 0 IIAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000008758897 537071933 /nfs/dbraw/zinc/07/19/33/537071933.db2.gz XTNCHFLFYRACLA-RJRNSMGGSA-N 0 0 440.547 4.270 50 0 IIAARN CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 ZINC000000624555 555512007 /nfs/dbraw/zinc/51/20/07/555512007.db2.gz MWJSDCGBUPVVMH-UHFFFAOYSA-N 0 0 437.569 4.487 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br ZINC000000641235 555518686 /nfs/dbraw/zinc/51/86/86/555518686.db2.gz IICJWMVUGXFKGP-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000000643328 555519286 /nfs/dbraw/zinc/51/92/86/555519286.db2.gz QGAHIHONRSFINH-UHFFFAOYSA-N 0 0 440.365 4.227 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000000646160 555520719 /nfs/dbraw/zinc/52/07/19/555520719.db2.gz IZRHWUMULNLSRG-HSZRJFAPSA-N 0 0 438.524 4.197 50 0 IIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3N2)cc1 ZINC000000674790 555533720 /nfs/dbraw/zinc/53/37/20/555533720.db2.gz OYAHUQLNUQMZIM-RTBURBONSA-N 0 0 430.430 4.482 50 0 IIAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 ZINC000000683423 555538630 /nfs/dbraw/zinc/53/86/30/555538630.db2.gz PGBUTXRQVIJLSL-UHFFFAOYSA-N 0 0 432.904 4.309 50 0 IIAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(OC)c1OC ZINC000000684681 555539546 /nfs/dbraw/zinc/53/95/46/555539546.db2.gz ATXHYENAQNPVGW-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(COc2ccccc2)n1C ZINC000000687631 555541077 /nfs/dbraw/zinc/54/10/77/555541077.db2.gz JTGLSWIBQMHFMY-UHFFFAOYSA-N 0 0 447.358 4.196 50 0 IIAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000000705315 555544650 /nfs/dbraw/zinc/54/46/50/555544650.db2.gz CURQUTOACWBJAW-HNNXBMFYSA-N 0 0 432.259 4.358 50 0 biogenic,in-vitro IIAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000000716968 555548823 /nfs/dbraw/zinc/54/88/23/555548823.db2.gz MTFDRZWKPDUJGU-UHFFFAOYSA-N 0 0 429.545 4.162 50 0 IIAARN Cn1c2nc(SCc3ccccc3Cl)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000727719 555551941 /nfs/dbraw/zinc/55/19/41/555551941.db2.gz TZMKTPGWBWUMPB-UHFFFAOYSA-N 0 0 440.956 4.002 50 0 IIAARN COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1CC[C@@H](C)C2 ZINC000000729992 555552987 /nfs/dbraw/zinc/55/29/87/555552987.db2.gz MPCQMFHGFOCDGG-LLVKDONJSA-N 0 0 438.343 4.440 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000786647 555556392 /nfs/dbraw/zinc/55/63/92/555556392.db2.gz LVHFWGRZZGJNHD-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000000792483 555557318 /nfs/dbraw/zinc/55/73/18/555557318.db2.gz KAMFTNPZTAQDSW-UHFFFAOYSA-N 0 0 443.352 4.041 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000000821345 555563847 /nfs/dbraw/zinc/56/38/47/555563847.db2.gz NADLPMFODNTYTE-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000826005 555565115 /nfs/dbraw/zinc/56/51/15/555565115.db2.gz MRWBKHSNAXYVEA-NSHDSACASA-N 0 0 438.119 4.203 50 0 IIAARN 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CC(C)N(C(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)C(C)C ZINC000018597716 556115941 /nfs/dbraw/zinc/11/59/41/556115941.db2.gz QUWCBGJXDPJUEM-UHFFFAOYSA-N 0 0 431.583 4.137 50 0 IIAARN COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002692672 556120562 /nfs/dbraw/zinc/12/05/62/556120562.db2.gz XJLLLOVUIIOHTN-UHFFFAOYSA-N 0 0 433.485 4.316 50 0 IIAARN COc1ccc(S(=O)(=O)c2cn(Cc3ccccc3C)c3ccc(OC)cc3c2=O)cc1 ZINC000002693459 556120859 /nfs/dbraw/zinc/12/08/59/556120859.db2.gz XNEBBTPOISWIIL-UHFFFAOYSA-N 0 0 449.528 4.208 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000002704325 556123560 /nfs/dbraw/zinc/12/35/60/556123560.db2.gz KPEYQKPLYNKTMJ-QHCPKHFHSA-N 0 0 441.439 4.276 50 0 IIAARN COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002704534 556123907 /nfs/dbraw/zinc/12/39/07/556123907.db2.gz MRVNWDHCXPXBRV-JOCHJYFZSA-N 0 0 431.419 4.392 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc3ccccc32)cc1 ZINC000002711768 556125385 /nfs/dbraw/zinc/12/53/85/556125385.db2.gz JMEYAMWOZZXJGO-UHFFFAOYSA-N 0 0 439.562 4.092 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1 ZINC000002711863 556125449 /nfs/dbraw/zinc/12/54/49/556125449.db2.gz XIOFKRXXKDRCCI-UHFFFAOYSA-N 0 0 431.366 4.296 50 0 IIAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002720586 556127087 /nfs/dbraw/zinc/12/70/87/556127087.db2.gz MOPVFEMHOQTBQC-UHFFFAOYSA-N 0 0 432.427 4.164 50 0 IIAARN O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCCC1 ZINC000002716450 556130727 /nfs/dbraw/zinc/13/07/27/556130727.db2.gz WSAXGNYMSWYVJG-UHFFFAOYSA-N 0 0 426.944 4.320 50 0 IIAARN CCn1cc(-c2ccnc(SCC(=O)Nc3ccc(OC(F)F)cc3C)n2)c(C)n1 ZINC000002731149 556134538 /nfs/dbraw/zinc/13/45/38/556134538.db2.gz SCQMOTSVJPOXKN-UHFFFAOYSA-N 0 0 433.484 4.309 50 0 IIAARN O=C(Nc1ccc(I)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000002763612 556135977 /nfs/dbraw/zinc/13/59/77/556135977.db2.gz RBJLEPMJTWHCAX-UHFFFAOYSA-N 0 0 437.668 4.442 50 0 IIAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000002760054 556137725 /nfs/dbraw/zinc/13/77/25/556137725.db2.gz ARNGIGBTDHSRRR-UHFFFAOYSA-N 0 0 428.510 4.190 50 0 IIAARN O=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000002788816 556139158 /nfs/dbraw/zinc/13/91/58/556139158.db2.gz XPEVHKSYQFLDCJ-UHFFFAOYSA-N 0 0 430.432 4.491 50 0 IIAARN Cc1c(Br)c(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)nn1C ZINC000002768855 556139937 /nfs/dbraw/zinc/13/99/37/556139937.db2.gz ZQXGSXQAPPCGEG-UHFFFAOYSA-N 0 0 443.132 4.295 50 0 IIAARN CCc1sc(-c2nnc(SCC(=O)NCC(C)C)n2CC)cc1Br ZINC000002791419 556144069 /nfs/dbraw/zinc/14/40/69/556144069.db2.gz NAACFGGIUSVDTG-UHFFFAOYSA-N 0 0 431.425 4.216 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 ZINC000003012992 556155867 /nfs/dbraw/zinc/15/58/67/556155867.db2.gz LGYRPKUGJMDFMO-RHSMWYFYSA-N 0 0 436.390 4.406 50 0 IIAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000008383602 556159544 /nfs/dbraw/zinc/15/95/44/556159544.db2.gz HHVFXGOIZWBDML-SXGWCWSVSA-N 0 0 433.327 4.484 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000008396024 556163273 /nfs/dbraw/zinc/16/32/73/556163273.db2.gz HKURMGCKKRBEBK-ONDHQXCVSA-N 0 0 429.469 4.393 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000008448105 556180394 /nfs/dbraw/zinc/18/03/94/556180394.db2.gz HNUWGYAWBPLUCD-UHFFFAOYSA-N 0 0 443.471 4.318 50 0 IIAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008567985 556187543 /nfs/dbraw/zinc/18/75/43/556187543.db2.gz LQIHWTDFXIMDMS-JOCHJYFZSA-N 0 0 437.496 4.153 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2cc(Cl)ccc23)cc1 ZINC000008604487 556191308 /nfs/dbraw/zinc/19/13/08/556191308.db2.gz OQVVIIYGYCQPQB-UHFFFAOYSA-N 0 0 429.933 4.146 50 0 IIAARN Cc1ncc(COC(=O)C(C)C)c2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)oc12 ZINC000008608588 556191599 /nfs/dbraw/zinc/19/15/99/556191599.db2.gz JUGPURQHLLAOLF-UHFFFAOYSA-N 0 0 448.397 4.467 50 0 IIAARN COc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008683261 556199553 /nfs/dbraw/zinc/19/95/53/556199553.db2.gz DDIKMVZXTOCANA-UHFFFAOYSA-N 0 0 425.506 4.113 50 0 IIAARN Cc1nn(C[C@H](O)COc2ccc3c(c2)occ(Oc2cccc(C)c2)c3=O)c(C)c1C ZINC000008714538 556201825 /nfs/dbraw/zinc/20/18/25/556201825.db2.gz KHFJFOLNBNFGIX-IBGZPJMESA-N 0 0 434.492 4.455 50 0 IIAARN COc1ccc(C2=NN(C(=O)COc3cccc4c3CCC[C@H]4O)[C@@H](c3ccco3)C2)cc1 ZINC000008745368 556209078 /nfs/dbraw/zinc/20/90/78/556209078.db2.gz HEFLDBZXZGJCOW-DHIUTWEWSA-N 0 0 446.503 4.415 50 0 IIAARN Cc1nc(-c2cccc(NC(=O)COC(=O)c3cccc(CN4CCCC4=O)c3)c2)cs1 ZINC000010607861 556215253 /nfs/dbraw/zinc/21/52/53/556215253.db2.gz FWWODEDRGXYUSU-UHFFFAOYSA-N 0 0 449.532 4.036 50 0 IIAARN COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCc2ccccc2)cc1 ZINC000008818843 556218394 /nfs/dbraw/zinc/21/83/94/556218394.db2.gz GLIRKASXJXJKLQ-QJOMJCCJSA-N 0 0 434.923 4.478 50 0 IIAARN O=C(COc1ccc(Cl)cc1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008869710 556228681 /nfs/dbraw/zinc/22/86/81/556228681.db2.gz MWTLNPIXNWMCAV-HXUWFJFHSA-N 0 0 443.952 4.088 50 0 IIAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000008918731 556233120 /nfs/dbraw/zinc/23/31/20/556233120.db2.gz CLCJKQNPAMYRKE-SANMLTNESA-N 0 0 431.488 4.020 50 0 IIAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000008984068 556238255 /nfs/dbraw/zinc/23/82/55/556238255.db2.gz XQUQGKNPBRKTOI-UHFFFAOYSA-N 0 0 443.488 4.302 50 0 IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000009147005 556249423 /nfs/dbraw/zinc/24/94/23/556249423.db2.gz DDBLBARRIRLXIL-KRWDZBQOSA-N 0 0 427.533 4.399 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 ZINC000009189608 556252623 /nfs/dbraw/zinc/25/26/23/556252623.db2.gz XTKJPMTZXQRMTG-IBGZPJMESA-N 0 0 435.553 4.313 50 0 biogenic IIAARN O=C(Nc1nnc(CSCc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009191012 556253531 /nfs/dbraw/zinc/25/35/31/556253531.db2.gz GSGOXNALINDEPQ-UHFFFAOYSA-N 0 0 442.566 4.055 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1Cl ZINC000009199514 556257142 /nfs/dbraw/zinc/25/71/42/556257142.db2.gz ZNDQOQXMRMJEJY-LBPRGKRZSA-N 0 0 430.892 4.412 50 0 IIAARN CCOc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC2)cc1 ZINC000009232075 556261297 /nfs/dbraw/zinc/26/12/97/556261297.db2.gz GUKVMCYLRVHODE-UHFFFAOYSA-N 0 0 436.581 4.166 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009236548 556264171 /nfs/dbraw/zinc/26/41/71/556264171.db2.gz WQSJWOIEDWHQJM-VQTJNVASSA-N 0 0 431.496 4.482 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009238919 556265266 /nfs/dbraw/zinc/26/52/66/556265266.db2.gz PJNBBYIYULEOFC-MSOLQXFVSA-N 0 0 429.933 4.036 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009238990 556265277 /nfs/dbraw/zinc/26/52/77/556265277.db2.gz AKUCACZQUHRJOK-ZWKOTPCHSA-N 0 0 429.933 4.036 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239194 556265579 /nfs/dbraw/zinc/26/55/79/556265579.db2.gz MRFSDZRIGKPFNM-MOPGFXCFSA-N 0 0 443.960 4.209 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239610 556266092 /nfs/dbraw/zinc/26/60/92/556266092.db2.gz SVSREXVRCJBSMA-LEWJYISDSA-N 0 0 437.569 4.199 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 ZINC000009295047 556274637 /nfs/dbraw/zinc/27/46/37/556274637.db2.gz CTOAFDODKIYFJE-OALUTQOASA-N 0 0 443.960 4.290 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1CC ZINC000009307356 556277231 /nfs/dbraw/zinc/27/72/31/556277231.db2.gz ZSEJFKFMGVIXCF-UHFFFAOYSA-N 0 0 426.542 4.315 50 0 IIAARN CC(C)c1nc2oc3c(ncn(CC(=O)Nc4cccc(Cl)c4)c3=O)c2c2c1CCC2 ZINC000013689809 556278934 /nfs/dbraw/zinc/27/89/34/556278934.db2.gz VBDQUSNRFZDBQS-UHFFFAOYSA-N 0 0 436.899 4.442 50 0 IIAARN CCc1ccc(NC2=[NH+][C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C([O-])=N2)cc1 ZINC000013691003 556280359 /nfs/dbraw/zinc/28/03/59/556280359.db2.gz XWVIVDBGTXYDAH-QFIPXVFZSA-N 0 0 428.492 4.336 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cn4cncn4)cc3)s2)cc1OC ZINC000013691459 556280997 /nfs/dbraw/zinc/28/09/97/556280997.db2.gz DAIBPVFZJYHIMB-UHFFFAOYSA-N 0 0 435.509 4.028 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1c(Cl)cccc1Cl)N2c1ccccc1 ZINC000009344256 556283723 /nfs/dbraw/zinc/28/37/23/556283723.db2.gz BNYXICNYSZGCFN-SJORKVTESA-N 0 0 427.378 4.268 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009427130 556290538 /nfs/dbraw/zinc/29/05/38/556290538.db2.gz WPJLFBIJZCELDQ-OAHLLOKOSA-N 0 0 447.442 4.111 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCCCc3ccccc3)N(c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000013729591 556294459 /nfs/dbraw/zinc/29/44/59/556294459.db2.gz IDLQFKXHGCTHAA-RBUKOAKNSA-N 0 0 438.977 4.187 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009573917 556300156 /nfs/dbraw/zinc/30/01/56/556300156.db2.gz GGEKUURNJLBSOF-UHFFFAOYSA-N 0 0 435.431 4.059 50 0 IIAARN COc1cc(-c2c(NC(=O)c3ccccc3)n(C)c3ccccc3c2=O)cc(OC)c1OC ZINC000009579712 556300465 /nfs/dbraw/zinc/30/04/65/556300465.db2.gz OFICXVFXQKQHPS-UHFFFAOYSA-N 0 0 444.487 4.484 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758444 556301133 /nfs/dbraw/zinc/30/11/33/556301133.db2.gz WTPLCNNGJKQFFS-RMUDUWAUSA-N 0 0 438.568 4.319 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000009592644 556301521 /nfs/dbraw/zinc/30/15/21/556301521.db2.gz BWIXZNIVZLMIPS-SFHVURJKSA-N 0 0 428.418 4.236 50 0 IIAARN COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(OC)c(OC)c2)c1 ZINC000013759588 556301739 /nfs/dbraw/zinc/30/17/39/556301739.db2.gz AUJRYJRYADEAJA-UHFFFAOYSA-N 0 0 444.487 4.401 50 0 IIAARN Cc1cc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)no1 ZINC000009597036 556301863 /nfs/dbraw/zinc/30/18/63/556301863.db2.gz GYFZVURUMASWST-UHFFFAOYSA-N 0 0 425.539 4.144 50 0 IIAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000009602470 556303055 /nfs/dbraw/zinc/30/30/55/556303055.db2.gz CSDGVYXUOLTVNP-DLBZAZTESA-N 0 0 432.542 4.089 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(Cc2ccc(OC)cc2)C2CC2)nc1 ZINC000032743511 556304037 /nfs/dbraw/zinc/30/40/37/556304037.db2.gz FLZANCWRDBKHRH-UHFFFAOYSA-N 0 0 437.565 4.474 50 0 IIAARN O=C(Nc1ccccc1Cl)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663646 556304970 /nfs/dbraw/zinc/30/49/70/556304970.db2.gz LHYQAVDJGTVHNF-QGZVFWFLSA-N 0 0 448.910 4.224 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1F ZINC000009830299 556310763 /nfs/dbraw/zinc/31/07/63/556310763.db2.gz XLMMEDOHKLXBTD-UHFFFAOYSA-N 0 0 434.496 4.018 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)C1=O ZINC000032748090 556316970 /nfs/dbraw/zinc/31/69/70/556316970.db2.gz OFGQPVLEFSQXAA-VWLOTQADSA-N 0 0 433.508 4.296 50 0 IIAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c1 ZINC000009933989 556317543 /nfs/dbraw/zinc/31/75/43/556317543.db2.gz ZOUMVSGHVRVUNZ-FQEVSTJZSA-N 0 0 441.915 4.457 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)o2)cc1OC ZINC000010034878 556322708 /nfs/dbraw/zinc/32/27/08/556322708.db2.gz LRHDDDDQIHEQEO-UHFFFAOYSA-N 0 0 434.543 4.239 50 0 IIAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000010059172 556323832 /nfs/dbraw/zinc/32/38/32/556323832.db2.gz YUEBTIHHVBZPMJ-SANMLTNESA-N 0 0 429.472 4.040 50 0 IIAARN COc1ccccc1[C@@H]1N=C(Nc2cccc(Cl)c2Cl)Nc2nc(C)cc(=O)n21 ZINC000010059670 556324023 /nfs/dbraw/zinc/32/40/23/556324023.db2.gz LBDJQDPGQUWXOB-GOSISDBHSA-N 0 0 430.295 4.308 50 0 IIAARN O=C(NCc1ccccc1)NC1(C(=O)N2CCC(OCc3ccccc3)CC2)CCCC1 ZINC000032754609 556324106 /nfs/dbraw/zinc/32/41/06/556324106.db2.gz DTKQKGDPSNCQRM-UHFFFAOYSA-N 0 0 435.568 4.006 50 0 IIAARN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1cccs1 ZINC000013879957 556325075 /nfs/dbraw/zinc/32/50/75/556325075.db2.gz PRJVCCKAPHMJRR-UHFFFAOYSA-N 0 0 447.604 4.078 50 0 IIAARN CCN(CC)c1nc(Nc2ccccc2OC)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000013893286 556327559 /nfs/dbraw/zinc/32/75/59/556327559.db2.gz NIFUIDGTXNOGNT-UHFFFAOYSA-N 0 0 439.360 4.342 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3OC)cc2)cc1 ZINC000013936370 556336310 /nfs/dbraw/zinc/33/63/10/556336310.db2.gz NCKWZWCBSQZAPK-UHFFFAOYSA-N 0 0 443.550 4.314 50 0 IIAARN Cc1cc(C)n(C[C@H](O)COc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)n1 ZINC000011027270 556339048 /nfs/dbraw/zinc/33/90/48/556339048.db2.gz KVJFFVGIOGPNGV-IBGZPJMESA-N 0 0 434.492 4.455 50 0 IIAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1cccc(Br)c1 ZINC000013944288 556341399 /nfs/dbraw/zinc/34/13/99/556341399.db2.gz HRLWSSLCSMZNRA-ZDUSSCGKSA-N 0 0 443.326 4.073 50 0 IIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1cc3ccccc3nc1Cl)C2=O ZINC000032569658 556342779 /nfs/dbraw/zinc/34/27/79/556342779.db2.gz ZDSUMZCAVAIWAA-QKFKETGDSA-N 0 0 443.931 4.068 50 0 IIAARN COCCNC(=O)c1ccc(OC2CCN(Cc3cc(F)ccc3F)CC2)c(Cl)c1 ZINC000011753852 556348795 /nfs/dbraw/zinc/34/87/95/556348795.db2.gz VUACMUBZRBVABW-UHFFFAOYSA-N 0 0 438.902 4.038 50 0 IIAARN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770248 556350188 /nfs/dbraw/zinc/35/01/88/556350188.db2.gz VHBUXPQPWPHODX-QFIPXVFZSA-N 0 0 432.568 4.330 50 0 IIAARN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000014010196 556354810 /nfs/dbraw/zinc/35/48/10/556354810.db2.gz JPGLBNWILIJOIH-FHNWIRHTSA-N 0 0 445.878 4.188 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](c3ncncc3-c3ccc(C)cc3)C2)c(OC)c1OC ZINC000011813532 556356767 /nfs/dbraw/zinc/35/67/67/556356767.db2.gz CIYGPUBXYKAUOL-IBGZPJMESA-N 0 0 447.535 4.498 50 0 IIAARN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795711 556358224 /nfs/dbraw/zinc/35/82/24/556358224.db2.gz GDMPSIDPYZKBIL-LRDDRELGSA-N 0 0 449.345 4.294 50 0 IIAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014068650 556359956 /nfs/dbraw/zinc/35/99/56/556359956.db2.gz RYNTVKOTGFWCAL-UHFFFAOYSA-N 0 0 429.561 4.133 50 0 IIAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000014068691 556360025 /nfs/dbraw/zinc/36/00/25/556360025.db2.gz SVDKTRYNAMKCQO-PZJWPPBQSA-N 0 0 435.524 4.065 50 0 IIAARN CC[C@H](NC(=O)Cn1cnc2sc(C)c(C)c2c1=O)c1ccc(Br)cc1 ZINC000014077217 556362130 /nfs/dbraw/zinc/36/21/30/556362130.db2.gz MUHDHXHXEAJSHA-HNNXBMFYSA-N 0 0 434.359 4.105 50 0 IIAARN CCN(CC)S(=O)(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000014085787 556364742 /nfs/dbraw/zinc/36/47/42/556364742.db2.gz WBMBMLFRZOVJOL-UHFFFAOYSA-N 0 0 447.004 4.270 50 0 IIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(N2CCCC2=O)cc1 ZINC000014086491 556364783 /nfs/dbraw/zinc/36/47/83/556364783.db2.gz HDOSDVKNMWAPFT-UHFFFAOYSA-N 0 0 427.913 4.050 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000014094243 556366112 /nfs/dbraw/zinc/36/61/12/556366112.db2.gz DCULRQDQIQBACW-UHFFFAOYSA-N 0 0 445.544 4.264 50 0 IIAARN O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(I)c1 ZINC000014093917 556366121 /nfs/dbraw/zinc/36/61/21/556366121.db2.gz PZCFGFLVFBJZIQ-UHFFFAOYSA-N 0 0 428.176 4.393 50 0 IIAARN Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)[nH]c1Cc1ccccc1 ZINC000014095389 556367231 /nfs/dbraw/zinc/36/72/31/556367231.db2.gz IEQXLGUTQPALQG-CYBMUJFWSA-N 0 0 440.594 4.077 50 0 IIAARN O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1Br ZINC000014099690 556367823 /nfs/dbraw/zinc/36/78/23/556367823.db2.gz FLJLPYWQASFSBL-UHFFFAOYSA-N 0 0 438.265 4.007 50 0 IIAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC000032808654 556369160 /nfs/dbraw/zinc/36/91/60/556369160.db2.gz JBXOTVPGHQHLNL-UHFFFAOYSA-N 0 0 440.927 4.481 50 0 IIAARN CN(CCc1ccccn1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 ZINC000011873405 556369764 /nfs/dbraw/zinc/36/97/64/556369764.db2.gz OHEQKFDSJHMHON-UHFFFAOYSA-N 0 0 426.520 4.356 50 0 IIAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000014114846 556370465 /nfs/dbraw/zinc/37/04/65/556370465.db2.gz PRDSLULOMTVESI-UHFFFAOYSA-N 0 0 441.556 4.485 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cccnc2OC)C1 ZINC000011879577 556371718 /nfs/dbraw/zinc/37/17/18/556371718.db2.gz RKSQTLSSOLJJQY-HNNXBMFYSA-N 0 0 431.920 4.023 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCC(F)(F)F ZINC000014137530 556375402 /nfs/dbraw/zinc/37/54/02/556375402.db2.gz RCLKQLCVZBZTBE-UHFFFAOYSA-N 0 0 446.425 4.466 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000014167631 556380118 /nfs/dbraw/zinc/38/01/18/556380118.db2.gz GXOWSKJNPQIMMG-UHFFFAOYSA-N 0 0 428.989 4.221 50 0 IIAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000011956323 556381054 /nfs/dbraw/zinc/38/10/54/556381054.db2.gz DAGMGLWMPMRAAS-OAQYLSRUSA-N 0 0 444.579 4.295 50 0 IIAARN COc1cc(C[C@]2(CCC(=O)NCCC3=CC[C@H]4C[C@@H]3C4(C)C)CCC(=O)N2)ccc1F ZINC000011968366 556382193 /nfs/dbraw/zinc/38/21/93/556382193.db2.gz WZHBLUXTSSHRIC-DYLHXGEVSA-N 0 0 442.575 4.305 50 0 IIAARN Cc1nc(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)cs1 ZINC000012004138 556386394 /nfs/dbraw/zinc/38/63/94/556386394.db2.gz DUOFTNVGYMAOOY-UHFFFAOYSA-N 0 0 444.948 4.423 50 0 IIAARN CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCc2ccsc2)cc1 ZINC000014188677 556387052 /nfs/dbraw/zinc/38/70/52/556387052.db2.gz BTDSGDXBTGYEAI-UHFFFAOYSA-N 0 0 448.591 4.475 50 0 IIAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)NCc1ccccc1Cl ZINC000012031718 556388957 /nfs/dbraw/zinc/38/89/57/556388957.db2.gz UFFMKMFPOOZQCM-INIZCTEOSA-N 0 0 428.916 4.018 50 0 IIAARN C[C@H]1CSC(N(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccc(Cl)cc2)=N1 ZINC000014197400 556389048 /nfs/dbraw/zinc/38/90/48/556389048.db2.gz PKLZHZFPWUXZNV-ZDUSSCGKSA-N 0 0 427.913 4.132 50 0 IIAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCc1csc(-c2ccccc2)n1 ZINC000012038546 556390480 /nfs/dbraw/zinc/39/04/80/556390480.db2.gz VVHYRXXNEQLXCZ-QFIPXVFZSA-N 0 0 425.579 4.160 50 0 IIAARN Cc1ccccc1[C@]1(CC(=O)N2CCCCCCC2)CC(=O)N(Cc2ccccc2)C1=O ZINC000012041987 556391106 /nfs/dbraw/zinc/39/11/06/556391106.db2.gz KXJXTERVMZUIQQ-MHZLTWQESA-N 0 0 432.564 4.375 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)o2)cs1 ZINC000014201409 556392077 /nfs/dbraw/zinc/39/20/77/556392077.db2.gz AEQXEXDBIQQNJK-NSHDSACASA-N 0 0 445.595 4.347 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)o2)cs1 ZINC000014201408 556392085 /nfs/dbraw/zinc/39/20/85/556392085.db2.gz AEQXEXDBIQQNJK-LLVKDONJSA-N 0 0 445.595 4.347 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2cnc(SC)nc2)C1 ZINC000012050302 556392104 /nfs/dbraw/zinc/39/21/04/556392104.db2.gz BIABKDMNTYKDLN-HNNXBMFYSA-N 0 0 434.993 4.491 50 0 IIAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ccccn3)CC2)c1 ZINC000012053791 556393231 /nfs/dbraw/zinc/39/32/31/556393231.db2.gz QOHCHLVMTXEFPF-UHFFFAOYSA-N 0 0 425.536 4.265 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000012055484 556393823 /nfs/dbraw/zinc/39/38/23/556393823.db2.gz NAHPFRFJJKIVAL-RUZDIDTESA-N 0 0 440.540 4.432 50 0 IIAARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1C1CC1 ZINC000032809327 556393994 /nfs/dbraw/zinc/39/39/94/556393994.db2.gz VAWJCIYKKKCVTQ-UHFFFAOYSA-N 0 0 425.496 4.299 50 0 IIAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1)C(C)C ZINC000012062169 556395487 /nfs/dbraw/zinc/39/54/87/556395487.db2.gz XAXWMQSEOOAGHE-NRFANRHFSA-N 0 0 432.568 4.198 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014227867 556395500 /nfs/dbraw/zinc/39/55/00/556395500.db2.gz YWFFVMJPYRNKLP-QGZVFWFLSA-N 0 0 443.931 4.062 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(=O)c2cc(CC)ccc2o1 ZINC000012062517 556395821 /nfs/dbraw/zinc/39/58/21/556395821.db2.gz IQIPBVNVSNJEFW-UHFFFAOYSA-N 0 0 427.478 4.357 50 0 IIAARN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012072599 556396094 /nfs/dbraw/zinc/39/60/94/556396094.db2.gz FZZITNVNCBBRBU-UHFFFAOYSA-N 0 0 441.524 4.038 50 0 IIAARN COc1cccc(-c2nn(CN3CCC[C@@H]3c3cc(OC)ccc3OC)c(=S)n2C)c1 ZINC000014229689 556396685 /nfs/dbraw/zinc/39/66/85/556396685.db2.gz XNLXGRXVONEUKH-HXUWFJFHSA-N 0 0 440.569 4.438 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CCn3nc(-c4cccs4)oc3=O)sc2C)cc1 ZINC000032810767 556397488 /nfs/dbraw/zinc/39/74/88/556397488.db2.gz AYVROCBEZAZZTR-UHFFFAOYSA-N 0 0 442.522 4.034 50 0 IIAARN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014237683 556399950 /nfs/dbraw/zinc/39/99/50/556399950.db2.gz VTJWJXQNVVJGJL-UHFFFAOYSA-N 0 0 439.515 4.388 50 0 IIAARN C[C@@H]1Oc2ccc(NCc3nc(=O)c4c(-c5ccc(F)cc5)csc4[nH]3)cc2NC1=O ZINC000032814870 556400645 /nfs/dbraw/zinc/40/06/45/556400645.db2.gz YYUBZMLLGOKQEN-NSHDSACASA-N 0 0 436.468 4.122 50 0 IIAARN COc1cccc(CN2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC000014239776 556400978 /nfs/dbraw/zinc/40/09/78/556400978.db2.gz IKIZLZNOCYNLEQ-UHFFFAOYSA-N 0 0 449.787 4.162 50 0 IIAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014240800 556401277 /nfs/dbraw/zinc/40/12/77/556401277.db2.gz LXKNDZSOFVEXJT-FQEVSTJZSA-N 0 0 440.590 4.055 50 0 IIAARN O=C(CCCSc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014241673 556401970 /nfs/dbraw/zinc/40/19/70/556401970.db2.gz LPLQQMOVLIBQKH-UHFFFAOYSA-N 0 0 432.611 4.050 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C1 ZINC000014242834 556403391 /nfs/dbraw/zinc/40/33/91/556403391.db2.gz BMVIDWUHLWUVNS-QZTJIDSGSA-N 0 0 444.622 4.496 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)n2)cc1 ZINC000032578631 556405241 /nfs/dbraw/zinc/40/52/41/556405241.db2.gz HHZZYDTXLVQUPD-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CCC(=O)N(c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)s1)C1CC1 ZINC000014246050 556406077 /nfs/dbraw/zinc/40/60/77/556406077.db2.gz XWJSAJYNJKSZSR-SFHVURJKSA-N 0 0 430.599 4.289 50 0 IIAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cn1nc(-c2cccs2)n(CC)c1=S ZINC000014250439 556408483 /nfs/dbraw/zinc/40/84/83/556408483.db2.gz RNACEYXGSMOLHR-UHFFFAOYSA-N 0 0 431.587 4.089 50 0 IIAARN CCn1cc(C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)c(=O)c2ccc(C)nc21 ZINC000219321668 556409645 /nfs/dbraw/zinc/40/96/45/556409645.db2.gz ZJYSXMWLNKKMPJ-FQEVSTJZSA-N 0 0 443.519 4.323 50 0 IIAARN COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)c1 ZINC000032622370 556409696 /nfs/dbraw/zinc/40/96/96/556409696.db2.gz QQJJDGUPMMXJBC-LJQANCHMSA-N 0 0 441.553 4.377 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC000032824570 556409883 /nfs/dbraw/zinc/40/98/83/556409883.db2.gz DOFOMLLZXNATJP-IBGZPJMESA-N 0 0 440.931 4.352 50 0 IIAARN COc1ccc(-c2csc(NC(=O)c3ccc(CN4CCO[C@H](C)C4)cc3)n2)cc1F ZINC000032824682 556410129 /nfs/dbraw/zinc/41/01/29/556410129.db2.gz YUCALNAXTHEUGJ-OAHLLOKOSA-N 0 0 441.528 4.431 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cs1 ZINC000014254332 556410410 /nfs/dbraw/zinc/41/04/10/556410410.db2.gz VFDYOWHTQISFMI-UHFFFAOYSA-N 0 0 429.552 4.280 50 0 IIAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000032674715 556415342 /nfs/dbraw/zinc/41/53/42/556415342.db2.gz DZSKVCQWXFLCCL-UHFFFAOYSA-N 0 0 436.512 4.165 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccsc1 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50 0 IIAARN c1coc(CNc2nnc(SC[C@@H]3CSc4nnc(-c5ccccc5)n43)s2)c1 ZINC000032906018 556557362 /nfs/dbraw/zinc/55/73/62/556557362.db2.gz IFSHZIDWQRLNNX-ZDUSSCGKSA-N 0 0 428.568 4.441 50 0 IIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3cccc(C)c3C)nn12 ZINC000033274371 556558292 /nfs/dbraw/zinc/55/82/92/556558292.db2.gz KCCWKPKBTZZHNY-UHFFFAOYSA-N 0 0 437.503 4.270 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000015942626 556566324 /nfs/dbraw/zinc/56/63/24/556566324.db2.gz OONROJLPUZPXRH-UHFFFAOYSA-N 0 0 440.498 4.119 50 0 IIAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4noc(-c5ccc(C)cc5)n4)C3=O)ccc2c1 ZINC000032909102 556568377 /nfs/dbraw/zinc/56/83/77/556568377.db2.gz WSXZTLBAIZPROI-RUZDIDTESA-N 0 0 442.475 4.174 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000016007663 556573376 /nfs/dbraw/zinc/57/33/76/556573376.db2.gz XYTFUQNKVPUKNP-IUODEOHRSA-N 0 0 443.953 4.309 50 0 IIAARN COC(=O)c1cccc(OC)c1OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000072311091 556577236 /nfs/dbraw/zinc/57/72/36/556577236.db2.gz JDRZIOQFGRHJBM-UHFFFAOYSA-N 0 0 433.504 4.199 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000016039361 556578044 /nfs/dbraw/zinc/57/80/44/556578044.db2.gz ARPXPWRMDFMIEX-LIONHTAISA-N 0 0 434.495 4.393 50 0 IIAARN Cc1c(C(=O)N(C)Cc2ccccc2N2CCOCC2)sc2nc(C3CC3)nc(C)c12 ZINC000032909952 556578074 /nfs/dbraw/zinc/57/80/74/556578074.db2.gz XBBFNRZAXHTIEW-UHFFFAOYSA-N 0 0 436.581 4.294 50 0 IIAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000016044803 556578918 /nfs/dbraw/zinc/57/89/18/556578918.db2.gz LVYHCHTURMDXGB-UHFFFAOYSA-N 0 0 434.536 4.376 50 0 IIAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000016050446 556581091 /nfs/dbraw/zinc/58/10/91/556581091.db2.gz ZUWDWVHKLIQNOS-UHFFFAOYSA-N 0 0 439.537 4.385 50 0 IIAARN CC(=O)N(c1nc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cs1)c1ccccc1 ZINC000032910795 556581693 /nfs/dbraw/zinc/58/16/93/556581693.db2.gz JKRKRVFRBTZIOC-UHFFFAOYSA-N 0 0 448.504 4.054 50 0 IIAARN CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1 ZINC000034836458 556583032 /nfs/dbraw/zinc/58/30/32/556583032.db2.gz CXFBHHSKSAXSOM-UHFFFAOYSA-N 0 0 435.591 4.484 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(OC)c(OC)c2)cc1 ZINC000036247059 556595306 /nfs/dbraw/zinc/59/53/06/556595306.db2.gz BTGNHHSSGAODQO-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nncn3CCc3cccs3)c2C)no1 ZINC000011106755 556598616 /nfs/dbraw/zinc/59/86/16/556598616.db2.gz WCROZIYKNWDCAR-UHFFFAOYSA-N 0 0 427.555 4.261 50 0 IIAARN CCOC(=O)c1c(NC(=S)N2CCCN(C(C)=O)CC2)sc(C)c1-c1ccccc1 ZINC000036646105 556599683 /nfs/dbraw/zinc/59/96/83/556599683.db2.gz RKSJLFIIZOFHHH-UHFFFAOYSA-N 0 0 445.610 4.151 50 0 IIAARN O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000032978594 556600890 /nfs/dbraw/zinc/60/08/90/556600890.db2.gz WZBKZENDFJJWBY-UHFFFAOYSA-N 0 0 427.551 4.491 50 0 IIAARN COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000032981832 556601042 /nfs/dbraw/zinc/60/10/42/556601042.db2.gz QHEUJHHIJZZYKV-HNNXBMFYSA-N 0 0 447.607 4.370 50 0 IIAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000016362346 556603106 /nfs/dbraw/zinc/60/31/06/556603106.db2.gz YKCMZGFJFHAMFZ-UHFFFAOYSA-N 0 0 425.535 4.444 50 0 IIAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2 ZINC000037604457 556605027 /nfs/dbraw/zinc/60/50/27/556605027.db2.gz UUXRMRNBRYXQEM-SBUREZEXSA-N 0 0 426.532 4.248 50 0 IIAARN CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2 ZINC000037604459 556605106 /nfs/dbraw/zinc/60/51/06/556605106.db2.gz UUXRMRNBRYXQEM-HXOBKFHXSA-N 0 0 426.532 4.248 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cc(C)on1 ZINC000016400276 556605237 /nfs/dbraw/zinc/60/52/37/556605237.db2.gz UZLJZKQMCWPIRD-UHFFFAOYSA-N 0 0 433.873 4.298 50 0 IIAARN CSc1ccccc1NC(=O)[C@@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422268 556606379 /nfs/dbraw/zinc/60/63/79/556606379.db2.gz ITHCBPSURXCXGQ-OAHLLOKOSA-N 0 0 438.519 4.362 50 0 IIAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016448300 556608424 /nfs/dbraw/zinc/60/84/24/556608424.db2.gz XUCQGEGCQZGBNP-INIZCTEOSA-N 0 0 445.412 4.401 50 0 IIAARN COC(=O)C1C(CNc2ccc(C(F)(F)F)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000016448150 556608472 /nfs/dbraw/zinc/60/84/72/556608472.db2.gz QGQLQTRCQCZBFJ-LJQANCHMSA-N 0 0 433.430 4.215 50 0 IIAARN COc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1 ZINC000016475579 556610406 /nfs/dbraw/zinc/61/04/06/556610406.db2.gz RBDRGPAJTHOTTF-UHFFFAOYSA-N 0 0 441.553 4.239 50 0 IIAARN O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016488258 556611936 /nfs/dbraw/zinc/61/19/36/556611936.db2.gz ANGXUHUCBPZCHE-LBPRGKRZSA-N 0 0 431.316 4.172 50 0 IIAARN CN(Cc1cc(F)cc2c1OCOC2)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000032916447 556615273 /nfs/dbraw/zinc/61/52/73/556615273.db2.gz OZYAVJMSXSCNJY-UHFFFAOYSA-N 0 0 439.814 4.185 50 0 IIAARN CCc1ccccc1NC(=O)Cn1nc(-c2ccc(C)c(NC(=O)C(C)C)c2)ccc1=O ZINC000016650636 556620679 /nfs/dbraw/zinc/62/06/79/556620679.db2.gz ONTLUAJZQNKABL-UHFFFAOYSA-N 0 0 432.524 4.014 50 0 IIAARN Cc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)cc2)no1 ZINC000032999093 556627300 /nfs/dbraw/zinc/62/73/00/556627300.db2.gz JRQHQMCYQNMZAO-UHFFFAOYSA-N 0 0 431.418 4.418 50 0 IIAARN COc1ccccc1[C@@H]1CN(CC(=O)N(C)[C@H](C)c2nccs2)Cc2ccccc2O1 ZINC000039355513 556627973 /nfs/dbraw/zinc/62/79/73/556627973.db2.gz INGICHJDQCTECO-VGSWGCGISA-N 0 0 437.565 4.307 50 0 IIAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000039421436 556628753 /nfs/dbraw/zinc/62/87/53/556628753.db2.gz LMPNTBYTXAMTNI-HXUWFJFHSA-N 0 0 429.442 4.212 50 0 IIAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)cc1 ZINC000016732926 556632258 /nfs/dbraw/zinc/63/22/58/556632258.db2.gz SVBDOFPKMQXXMT-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000097938667 556635177 /nfs/dbraw/zinc/63/51/77/556635177.db2.gz VHLFMWCPLQHETB-SFHVURJKSA-N 0 0 446.482 4.342 50 0 IIAARN O=C(NCCCn1ccc2ccc(Br)cc21)NCc1ccc2c(c1)OCO2 ZINC000409413756 556641050 /nfs/dbraw/zinc/64/10/50/556641050.db2.gz LKWQZIYKKSZAAE-UHFFFAOYSA-N 0 0 430.302 4.022 50 0 IIAARN COc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)n2)cc1OC ZINC000409415019 556641653 /nfs/dbraw/zinc/64/16/53/556641653.db2.gz RBFITWSAWZEGMQ-LJQANCHMSA-N 0 0 446.507 4.362 50 0 IIAARN O=C(c1ccccc1F)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037579348 556644107 /nfs/dbraw/zinc/64/41/07/556644107.db2.gz AATAHYSVKYJBDJ-UHFFFAOYSA-N 0 0 436.462 4.346 50 0 IIAARN O=C(Cc1cccs1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037579715 556645505 /nfs/dbraw/zinc/64/55/05/556645505.db2.gz GDCOFXXCAVUVIG-UHFFFAOYSA-N 0 0 438.528 4.197 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602166 556646682 /nfs/dbraw/zinc/64/66/82/556646682.db2.gz 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O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101070759 556653499 /nfs/dbraw/zinc/65/34/99/556653499.db2.gz HTLBLNJSRCKRAV-ZFWWWQNUSA-N 0 0 440.080 4.048 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCc3ccccc3)c4=O)n2)cc1C ZINC000038652321 556653673 /nfs/dbraw/zinc/65/36/73/556653673.db2.gz ZGQYQJRMXCJEGH-UHFFFAOYSA-N 0 0 438.487 4.266 50 0 IIAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)n2)cc1 ZINC000033000101 556654005 /nfs/dbraw/zinc/65/40/05/556654005.db2.gz OHNXOFOUFGPCDH-UHFFFAOYSA-N 0 0 448.523 4.333 50 0 IIAARN O=C(Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)N1CCCCCC1 ZINC000033004262 556654685 /nfs/dbraw/zinc/65/46/85/556654685.db2.gz CVMTZWVKNIRMFU-FQEVSTJZSA-N 0 0 448.542 4.094 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C)s1 ZINC000033007723 556656568 /nfs/dbraw/zinc/65/65/68/556656568.db2.gz FDMLOPMKHXOWJB-UHFFFAOYSA-N 0 0 439.946 4.416 50 0 IIAARN O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)Nc1cnc2ccccc2c1 ZINC000011794439 556656627 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KRYREJQIMDYSBZ-IBGZPJMESA-N 0 0 442.562 4.010 50 0 IIAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3ccccc3OC)C2=O)c1 ZINC000018168357 556685526 /nfs/dbraw/zinc/68/55/26/556685526.db2.gz VDQVJSPXXWKVJN-XDJHFCHBSA-N 0 0 430.460 4.352 50 0 IIAARN COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109880898 556685618 /nfs/dbraw/zinc/68/56/18/556685618.db2.gz ZKWTUIDOCNHRCV-HNAYVOBHSA-N 0 0 445.357 4.248 50 0 IIAARN CC(C)NC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000040388619 556685829 /nfs/dbraw/zinc/68/58/29/556685829.db2.gz QXQLUIVTDACDJY-NMWGTECJSA-N 0 0 438.336 4.377 50 0 IIAARN O=C(c1ccc(OCCn2ccnc2)cc1)N1CC[C@@H](c2ccc(Br)cc2)C1 ZINC000045302572 556686125 /nfs/dbraw/zinc/68/61/25/556686125.db2.gz SMIYPCMZKQYCMK-LJQANCHMSA-N 0 0 440.341 4.354 50 0 IIAARN Cc1nc(Cl)sc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000072312658 556687892 /nfs/dbraw/zinc/68/78/92/556687892.db2.gz YFMWGZUXPDYGTA-UHFFFAOYSA-N 0 0 429.885 4.016 50 0 IIAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000252485306 556690258 /nfs/dbraw/zinc/69/02/58/556690258.db2.gz GQTUCRZIYPPVTH-JOCHJYFZSA-N 0 0 443.503 4.010 50 0 IIAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 ZINC000046141271 556692463 /nfs/dbraw/zinc/69/24/63/556692463.db2.gz VVZSQUIPWONGRH-UHFFFAOYSA-N 0 0 441.534 4.261 50 0 IIAARN C[C@]1(c2ccc(Br)cc2)N=C(SCc2cnn(-c3ccccc3)c2)NC1=O ZINC000253400956 556696909 /nfs/dbraw/zinc/69/69/09/556696909.db2.gz GCKXVRUUZOXXLK-HXUWFJFHSA-N 0 0 441.354 4.269 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000137588063 556697335 /nfs/dbraw/zinc/69/73/35/556697335.db2.gz QCAPIHXQUSPMAK-RBZQAINGSA-N 0 0 444.487 4.063 50 0 IIAARN O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024277658 556699855 /nfs/dbraw/zinc/69/98/55/556699855.db2.gz RKLAYIBLVWLPTC-VWLOTQADSA-N 0 0 429.545 4.243 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O ZINC000033026919 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556737717 /nfs/dbraw/zinc/73/77/17/556737717.db2.gz QBSDGCZYHOIFCG-QGZVFWFLSA-N 0 0 425.510 4.006 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000143592199 556739919 /nfs/dbraw/zinc/73/99/19/556739919.db2.gz ADWLDFXLYJEDMV-RBZQAINGSA-N 0 0 444.487 4.063 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000019357561 556745413 /nfs/dbraw/zinc/74/54/13/556745413.db2.gz FBCWEAZHCXJPNA-SNVBAGLBSA-N 0 0 427.671 4.165 50 0 IIAARN Cc1cc(C)n2c(Br)c(CN3CCN(c4cccc(Cl)c4)CC3)nc2n1 ZINC000057945417 556749651 /nfs/dbraw/zinc/74/96/51/556749651.db2.gz ZUORVBXLBPELKJ-UHFFFAOYSA-N 0 0 434.769 4.084 50 0 IIAARN CC(C)n1cc(CCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c2ccccc21 ZINC000206254077 556749761 /nfs/dbraw/zinc/74/97/61/556749761.db2.gz DMNUXGZTAQZPKO-HSZRJFAPSA-N 0 0 444.535 4.350 50 0 IIAARN COC(=O)c1c(CN2CCN(c3nccs3)CC2)nc2ccccc2c1-c1ccccc1 ZINC000057978159 556750142 /nfs/dbraw/zinc/75/01/42/556750142.db2.gz VEPTXMHYLZSAMD-UHFFFAOYSA-N 0 0 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429.933 4.064 50 0 IIAARN O=c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Br)cn12 ZINC000058160432 556764360 /nfs/dbraw/zinc/76/43/60/556764360.db2.gz SHPFFMNAVLIVRF-MRXNPFEDSA-N 0 0 441.354 4.404 50 0 IIAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCC2=O)cc1 ZINC000058162931 556766292 /nfs/dbraw/zinc/76/62/92/556766292.db2.gz SLCCFMRWRGMPRG-UHFFFAOYSA-N 0 0 434.883 4.366 50 0 IIAARN C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000019476495 556768445 /nfs/dbraw/zinc/76/84/45/556768445.db2.gz URHXGCOQKSXZBY-MRXNPFEDSA-N 0 0 449.532 4.050 50 0 IIAARN CC(C)N(C[C@@H]1CCCN(C(=O)C(C)(C)n2cc(Cl)cn2)C1)C(=O)OC(C)(C)C ZINC000058344046 556782194 /nfs/dbraw/zinc/78/21/94/556782194.db2.gz UHPLBYSJSXLDBU-MRXNPFEDSA-N 0 0 426.989 4.156 50 0 IIAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CCCN(c2nccs2)CC1 ZINC000058394181 556785372 /nfs/dbraw/zinc/78/53/72/556785372.db2.gz QKINJFSUNJXTKU-UHFFFAOYSA-N 0 0 435.640 4.130 50 0 IIAARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000058417422 556786982 /nfs/dbraw/zinc/78/69/82/556786982.db2.gz ZTYVSTSMXSIHLN-UHFFFAOYSA-N 0 0 432.867 4.250 50 0 IIAARN COC(=O)c1sccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000058481642 556789467 /nfs/dbraw/zinc/78/94/67/556789467.db2.gz GNCCAFNZIVRIEV-UHFFFAOYSA-N 0 0 425.491 4.469 50 0 IIAARN O=C(NCc1sccc1Br)c1ccc(-n2cc(Br)cn2)cc1 ZINC000058767282 556791654 /nfs/dbraw/zinc/79/16/54/556791654.db2.gz GYOHYKCOUUDBFZ-UHFFFAOYSA-N 0 0 441.148 4.389 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)C1 ZINC000059265658 556796749 /nfs/dbraw/zinc/79/67/49/556796749.db2.gz MCPRCOTUGVTBCN-HZPDHXFCSA-N 0 0 448.535 4.224 50 0 IIAARN O=C1c2cccc(N3CCN(Cc4ccsc4)CC3)c2C(=O)N1CCc1cccc(F)c1 ZINC000059322717 556797750 /nfs/dbraw/zinc/79/77/50/556797750.db2.gz OOUKBLHHOOOVOF-UHFFFAOYSA-N 0 0 449.551 4.048 50 0 IIAARN CN(CC(=O)Nc1cc(C(C)(C)C)ccc1O)C(=O)c1ccc(Br)s1 ZINC000059368779 556799067 /nfs/dbraw/zinc/79/90/67/556799067.db2.gz CFOVJHXDBCTKHU-UHFFFAOYSA-N 0 0 425.348 4.224 50 0 IIAARN O=C(Cc1csc(-n2cccc2)n1)NCCn1ccc2ccc(Br)cc21 ZINC000072401403 556800437 /nfs/dbraw/zinc/80/04/37/556800437.db2.gz QVJUUYSXRRHPSY-UHFFFAOYSA-N 0 0 429.343 4.010 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000002647975 556802178 /nfs/dbraw/zinc/80/21/78/556802178.db2.gz UMMNWUHGABLRCG-HSZRJFAPSA-N 0 0 434.492 4.221 50 0 IIAARN O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)NCc1ccc2c(c1)OCO2 ZINC000003284629 556808730 /nfs/dbraw/zinc/80/87/30/556808730.db2.gz KWWWGACZPQBRPG-UHFFFAOYSA-N 0 0 436.508 4.191 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1N ZINC000003288165 556808916 /nfs/dbraw/zinc/80/89/16/556808916.db2.gz YLVQGRXAWICOLN-UHFFFAOYSA-N 0 0 447.520 4.191 50 0 IIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003314632 556809695 /nfs/dbraw/zinc/80/96/95/556809695.db2.gz OSLXRCYCRRFLQU-UHFFFAOYSA-N 0 0 435.863 4.372 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2F)sc2c1CC[C@@H](C)C2 ZINC000003317758 556809923 /nfs/dbraw/zinc/80/99/23/556809923.db2.gz HPIDXQSPBWDMSQ-LLVKDONJSA-N 0 0 437.464 4.123 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 ZINC000011208629 556813918 /nfs/dbraw/zinc/81/39/18/556813918.db2.gz HIERDJCCACOXTB-UHFFFAOYSA-N 0 0 441.553 4.191 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(Cc4csc(C)n4)o3)c2C)no1 ZINC000003401256 556814388 /nfs/dbraw/zinc/81/43/88/556814388.db2.gz WBZSQHGZJOQGMV-UHFFFAOYSA-N 0 0 429.527 4.104 50 0 IIAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc(OC)c1OC ZINC000003418326 556814937 /nfs/dbraw/zinc/81/49/37/556814937.db2.gz GOABUKLYBGHLMZ-UHFFFAOYSA-N 0 0 449.916 4.455 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)c2C)no1 ZINC000003554980 556817335 /nfs/dbraw/zinc/81/73/35/556817335.db2.gz CDBXHBCUSOQQBB-UHFFFAOYSA-N 0 0 438.465 4.144 50 0 IIAARN CCC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000003575962 556817681 /nfs/dbraw/zinc/81/76/81/556817681.db2.gz XNFOTNFMVWUESH-INIZCTEOSA-N 0 0 436.508 4.381 50 0 IIAARN CCOc1ccccc1CNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062179 556817901 /nfs/dbraw/zinc/81/79/01/556817901.db2.gz IJSUNOIDSXDXRO-UHFFFAOYSA-N 0 0 444.944 4.092 50 0 IIAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3cc(OC)ccc3[nH]2)n1C ZINC000033067732 556819584 /nfs/dbraw/zinc/81/95/84/556819584.db2.gz ZXIPKJIAHMGEQE-UHFFFAOYSA-N 0 0 436.537 4.099 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000065003233 556831494 /nfs/dbraw/zinc/83/14/94/556831494.db2.gz OFZRYPZDEXBXRB-UHFFFAOYSA-N 0 0 434.561 4.491 50 0 IIAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004685 556831764 /nfs/dbraw/zinc/83/17/64/556831764.db2.gz UUXQSMIRZQIUMD-UHFFFAOYSA-N 0 0 432.523 4.268 50 0 IIAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)Oc1ccc(F)cc1Cl ZINC000019635051 556834690 /nfs/dbraw/zinc/83/46/90/556834690.db2.gz DDVSHFSUZHTFAB-JTQLQIEISA-N 0 0 441.941 4.418 50 0 IIAARN O=C(/C=C/c1cccs1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997770 556838627 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IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008725418 556843495 /nfs/dbraw/zinc/84/34/95/556843495.db2.gz IPKSLBZGKRVKME-MRXNPFEDSA-N 0 0 431.414 4.190 50 0 IIAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)n2)cc1 ZINC000067603388 556843731 /nfs/dbraw/zinc/84/37/31/556843731.db2.gz FHTJENYSSBTQFV-UHFFFAOYSA-N 0 0 438.482 4.469 50 0 IIAARN Cc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 ZINC000033071294 556851389 /nfs/dbraw/zinc/85/13/89/556851389.db2.gz KLNICUFKGBEVCI-KRWDZBQOSA-N 0 0 441.373 4.209 50 0 IIAARN CC(C)CCn1c(CCCC(=O)N2CCN(c3ccccc3F)CC2)nc2cccnc21 ZINC000033072365 556852218 /nfs/dbraw/zinc/85/22/18/556852218.db2.gz AXWJIWHFMNEQJB-UHFFFAOYSA-N 0 0 437.563 4.288 50 0 IIAARN CSc1nc2c(cnn2CCNC(=O)Cc2cccc3ccccc32)c(NCC(C)C)n1 ZINC000008942837 556853101 /nfs/dbraw/zinc/85/31/01/556853101.db2.gz ALLXUERYSUZSDI-UHFFFAOYSA-N 0 0 448.596 4.128 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCN3CCCc4ccccc43)C2)s1 ZINC000033078451 556853352 /nfs/dbraw/zinc/85/33/52/556853352.db2.gz WIKIAEWGXKKAOI-LJQANCHMSA-N 0 0 449.624 4.039 50 0 IIAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc(Br)cc3)cc12 ZINC000033084496 556854778 /nfs/dbraw/zinc/85/47/78/556854778.db2.gz PDTDPUGELWKFBC-UHFFFAOYSA-N 0 0 426.314 4.395 50 0 IIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000033087943 556855676 /nfs/dbraw/zinc/85/56/76/556855676.db2.gz BMXKAPBURNUWHO-UHFFFAOYSA-N 0 0 444.466 4.108 50 0 IIAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)cc3F)c2)no1 ZINC000033086455 556856898 /nfs/dbraw/zinc/85/68/98/556856898.db2.gz FQGSAFZMGRHFOY-UHFFFAOYSA-N 0 0 440.294 4.310 50 0 IIAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 ZINC000033106274 556858546 /nfs/dbraw/zinc/85/85/46/556858546.db2.gz FSSIFBNHHWEUFC-UHFFFAOYSA-N 0 0 445.519 4.229 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(COc2ccc(C(=O)NCCC(C)C)cc2)s1 ZINC000033114287 556861163 /nfs/dbraw/zinc/86/11/63/556861163.db2.gz ZGRBFPHAXXITLI-UHFFFAOYSA-N 0 0 438.553 4.454 50 0 IIAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000033122355 556863204 /nfs/dbraw/zinc/86/32/04/556863204.db2.gz ORLNRBMHMLJPRY-UHFFFAOYSA-N 0 0 439.566 4.337 50 0 IIAARN Cc1ccc(-n2nc(SCC(=O)Nc3ccc(Br)cc3)ccc2=O)cc1C ZINC000033128045 556865101 /nfs/dbraw/zinc/86/51/01/556865101.db2.gz XVBHPAOOLGIHRS-UHFFFAOYSA-N 0 0 444.354 4.343 50 0 IIAARN Cc1cccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128190 556865275 /nfs/dbraw/zinc/86/52/75/556865275.db2.gz ZMLWBXAGAMZQTC-MRXNPFEDSA-N 0 0 427.957 4.300 50 0 IIAARN Cc1ccccc1S(=O)(=O)Nc1ccc(Sc2ccc(C(=O)NC3CC3)cn2)cc1 ZINC000033138638 556872772 /nfs/dbraw/zinc/87/27/72/556872772.db2.gz KZUCVBSDSONYCC-UHFFFAOYSA-N 0 0 439.562 4.234 50 0 IIAARN Cc1cccc(C(=O)N2CCC(C(=O)NCCc3csc(-c4cccs4)n3)CC2)c1 ZINC000033140215 556875690 /nfs/dbraw/zinc/87/56/90/556875690.db2.gz OBYBTZUNVRARFL-UHFFFAOYSA-N 0 0 439.606 4.391 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCCc2ccccc2)cc1 ZINC000033141744 556877974 /nfs/dbraw/zinc/87/79/74/556877974.db2.gz NEZARHTZBSCFFJ-UHFFFAOYSA-N 0 0 428.579 4.244 50 0 IIAARN COC(=O)c1ccc(-c2noc(CN(C)Cc3csc(-c4cccs4)n3)n2)cc1 ZINC000019739884 556879293 /nfs/dbraw/zinc/87/92/93/556879293.db2.gz ISTSSNJQGFYUJV-UHFFFAOYSA-N 0 0 426.523 4.340 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(Cl)cc12 ZINC000015954276 556880653 /nfs/dbraw/zinc/88/06/53/556880653.db2.gz PFSKGLGIQLSKPU-BXKMTCNYSA-N 0 0 447.959 4.321 50 0 biogenic IIAARN Cc1ccc(Sc2nccnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000033168897 556881165 /nfs/dbraw/zinc/88/11/65/556881165.db2.gz WLQSJSBFDTTYQP-UHFFFAOYSA-N 0 0 436.606 4.377 50 0 IIAARN CCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c1=O ZINC000033171699 556882649 /nfs/dbraw/zinc/88/26/49/556882649.db2.gz IUAJXOYKOLZGPX-UHFFFAOYSA-N 0 0 429.476 4.353 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3OCC)cc2)nc2cccnc21 ZINC000033170476 556885810 /nfs/dbraw/zinc/88/58/10/556885810.db2.gz UKGUIKNFONVBNB-UHFFFAOYSA-N 0 0 442.519 4.197 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCCc2cccs2)c1 ZINC000033170615 556886178 /nfs/dbraw/zinc/88/61/78/556886178.db2.gz MPBQVKQJIRMXMD-HJWRWDBZSA-N 0 0 445.566 4.003 50 0 IIAARN COc1ccc(CNS(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033175612 556886812 /nfs/dbraw/zinc/88/68/12/556886812.db2.gz MVOQJJRNEYGKPC-UHFFFAOYSA-N 0 0 435.505 4.199 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)c1 ZINC000033238784 556888773 /nfs/dbraw/zinc/88/87/73/556888773.db2.gz MYYUKSWZCQFGCN-UHFFFAOYSA-N 0 0 425.330 4.110 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1Cl ZINC000033249400 556889113 /nfs/dbraw/zinc/88/91/13/556889113.db2.gz MWMBHLRPYNVJGS-UHFFFAOYSA-N 0 0 446.981 4.218 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1F ZINC000033249432 556889402 /nfs/dbraw/zinc/88/94/02/556889402.db2.gz NDOGJMHOKFEMKJ-UHFFFAOYSA-N 0 0 432.904 4.405 50 0 IIAARN CCOc1ccccc1CNc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1 ZINC000033250473 556891439 /nfs/dbraw/zinc/89/14/39/556891439.db2.gz HQDYPPNIZLZGQE-UHFFFAOYSA-N 0 0 425.554 4.420 50 0 IIAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)c3cccc(Br)c3)no2)c1 ZINC000033252694 556893263 /nfs/dbraw/zinc/89/32/63/556893263.db2.gz RJZCFUTVBIMKLL-UHFFFAOYSA-N 0 0 444.329 4.343 50 0 IIAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000033255732 556895001 /nfs/dbraw/zinc/89/50/01/556895001.db2.gz UYFNLEIRKYRVGU-OALUTQOASA-N 0 0 446.956 4.124 50 0 IIAARN Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1-n1nnc2cccnc21 ZINC000033258698 556896568 /nfs/dbraw/zinc/89/65/68/556896568.db2.gz IHAOYHILNNZIMV-UHFFFAOYSA-N 0 0 430.899 4.231 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1Cl ZINC000072193859 556900682 /nfs/dbraw/zinc/90/06/82/556900682.db2.gz PFMQJVJEMGRBFU-DEOSSOPVSA-N 0 0 435.863 4.076 50 0 IIAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000072193852 556900760 /nfs/dbraw/zinc/90/07/60/556900760.db2.gz JIKNVPNXOGKNSC-HHHXNRCGSA-N 0 0 443.499 4.375 50 0 IIAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000019800016 556917185 /nfs/dbraw/zinc/91/71/85/556917185.db2.gz MACCDEOSKZZKEW-CQSZACIVSA-N 0 0 426.797 4.374 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817419 556920252 /nfs/dbraw/zinc/92/02/52/556920252.db2.gz ASKWJDPAEJIFEM-JOCHJYFZSA-N 0 0 445.523 4.244 50 0 IIAARN Cc1nn2c(nnc3c2ccn(-c2ccc(Br)cc2)c3=O)c1-c1ccccc1 ZINC000019818879 556921655 /nfs/dbraw/zinc/92/16/55/556921655.db2.gz PJPBXOBLHUIRKL-UHFFFAOYSA-N 0 0 432.281 4.166 50 0 IIAARN COc1ccccc1/C=C(\C(=O)N1CCC(Cc2ccccc2)CC1)n1ccccc1=O ZINC000019823141 556924919 /nfs/dbraw/zinc/92/49/19/556924919.db2.gz JJBKXGYZGOSKBG-HIXSDJFHSA-N 0 0 428.532 4.336 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000019860351 556932663 /nfs/dbraw/zinc/93/26/63/556932663.db2.gz ICJGTVRTMILVOA-LJQANCHMSA-N 0 0 434.989 4.446 50 0 IIAARN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019860306 556932709 /nfs/dbraw/zinc/93/27/09/556932709.db2.gz PHHKJDOLGFUOHG-INIZCTEOSA-N 0 0 439.002 4.242 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019863102 556934198 /nfs/dbraw/zinc/93/41/98/556934198.db2.gz DRWASWWWUIMWLQ-HNNXBMFYSA-N 0 0 444.450 4.025 50 0 IIAARN CCOc1ccc([C@H]2NC(=O)c3c(COC)cc(C)nc3N2Cc2ccccc2)cc1OC ZINC000019874987 556935733 /nfs/dbraw/zinc/93/57/33/556935733.db2.gz TXVIRFZYJSNYNO-DEOSSOPVSA-N 0 0 447.535 4.393 50 0 IIAARN COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000019889298 556938622 /nfs/dbraw/zinc/93/86/22/556938622.db2.gz DKQMTXIGUPDFMF-UHFFFAOYSA-N 0 0 446.547 4.337 50 0 IIAARN COc1cc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1O ZINC000019889253 556938657 /nfs/dbraw/zinc/93/86/57/556938657.db2.gz KQUIUCBPBQAZAF-UHFFFAOYSA-N 0 0 432.520 4.034 50 0 IIAARN CC(=O)N(c1nc(COC(=O)[C@H]2COc3ccccc3O2)cs1)c1cccc(C)c1C ZINC000032940061 556943972 /nfs/dbraw/zinc/94/39/72/556943972.db2.gz KJGKWAWEXBKRIC-OAQYLSRUSA-N 0 0 438.505 4.328 50 0 IIAARN Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000020028692 556967654 /nfs/dbraw/zinc/96/76/54/556967654.db2.gz SAKZZZTYHNKCGR-UHFFFAOYSA-N 0 0 438.959 4.148 50 0 IIAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4F)ccc3[nH]2)cc1 ZINC000033264802 556974480 /nfs/dbraw/zinc/97/44/80/556974480.db2.gz KQQOYNWPWWELDG-UHFFFAOYSA-N 0 0 430.483 4.376 50 0 IIAARN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C2CC2)cc1 ZINC000011234638 556979234 /nfs/dbraw/zinc/97/92/34/556979234.db2.gz XZUDBJMOZVJNPC-QFIPXVFZSA-N 0 0 447.000 4.317 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095615 556979450 /nfs/dbraw/zinc/97/94/50/556979450.db2.gz ZMITUWBNDKOXHZ-JOCHJYFZSA-N 0 0 445.519 4.166 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1OC ZINC000020095543 556979533 /nfs/dbraw/zinc/97/95/33/556979533.db2.gz PDZKMMXJXZINGJ-MRXNPFEDSA-N 0 0 433.508 4.006 50 0 IIAARN COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc21 ZINC000020103457 556980957 /nfs/dbraw/zinc/98/09/57/556980957.db2.gz ZVLCWCQENRWTDD-SFHVURJKSA-N 0 0 447.322 4.296 50 0 IIAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc21 ZINC000020103438 556981051 /nfs/dbraw/zinc/98/10/51/556981051.db2.gz JFCDRMZCXROGLE-GOSISDBHSA-N 0 0 447.322 4.296 50 0 IIAARN Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000020103569 556981327 /nfs/dbraw/zinc/98/13/27/556981327.db2.gz XDKLCUMEDHJPOV-QFIPXVFZSA-N 0 0 425.492 4.165 50 0 IIAARN C[C@H](c1nnc(S[C@H](Cc2ccccc2)C(N)=O)n1-c1ccccc1)N1CCCCC1 ZINC000097114202 556989764 /nfs/dbraw/zinc/98/97/64/556989764.db2.gz FFYFFEXJCFQMGO-WIYYLYMNSA-N 0 0 435.597 4.003 50 0 IIAARN C[C@H](c1nnc(S[C@@H](Cc2ccccc2)C(N)=O)n1-c1ccccc1)N1CCCCC1 ZINC000097114200 556989830 /nfs/dbraw/zinc/98/98/30/556989830.db2.gz FFYFFEXJCFQMGO-NQIIRXRSSA-N 0 0 435.597 4.003 50 0 IIAARN Cc1ccccc1C(=O)N[C@H](N1CCN(c2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000020149711 556990897 /nfs/dbraw/zinc/99/08/97/556990897.db2.gz VRCGCXSZFPNHPE-LJQANCHMSA-N 0 0 426.775 4.243 50 0 IIAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000076837691 556993611 /nfs/dbraw/zinc/99/36/11/556993611.db2.gz XLNPOBIGIDQBBX-HNNXBMFYSA-N 0 0 430.932 4.229 50 0 IIAARN COc1cc(C(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)cc(OC)c1OC ZINC000077197548 556996753 /nfs/dbraw/zinc/99/67/53/556996753.db2.gz HSUXDRMFSYBDJV-UHFFFAOYSA-N 0 0 443.525 4.413 50 0 IIAARN COc1ccc([C@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(Br)cc2)c(OC)c1 ZINC000020212859 556998982 /nfs/dbraw/zinc/99/89/82/556998982.db2.gz DNVTZFQGIONMCE-IBGZPJMESA-N 0 0 428.286 4.248 50 0 IIAARN O=C(c1cc(F)cc2c1OCOC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020223628 557000693 /nfs/dbraw/zinc/00/06/93/557000693.db2.gz SYIPASTZOIFZPV-UHFFFAOYSA-N 0 0 432.495 4.240 50 0 IIAARN CCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)cc1OCC ZINC000023106440 557001241 /nfs/dbraw/zinc/00/12/41/557001241.db2.gz DRZOPZXSZCGKOU-DEOSSOPVSA-N 0 0 448.563 4.441 50 0 IIAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)c(C2CC2)n1Cc1cccs1 ZINC000020255701 557003802 /nfs/dbraw/zinc/00/38/02/557003802.db2.gz KPYUUMKDXMOASJ-UHFFFAOYSA-N 0 0 447.604 4.102 50 0 IIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000020353650 557009613 /nfs/dbraw/zinc/00/96/13/557009613.db2.gz DKUCPSCUSSNWPQ-IBGZPJMESA-N 0 0 429.904 4.171 50 0 IIAARN Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3cccc(Cl)c3C)n(C3CC3)c2n1 ZINC000020353652 557009625 /nfs/dbraw/zinc/00/96/25/557009625.db2.gz YVEQFKCXCVEHHQ-UHFFFAOYSA-N 0 0 428.945 4.436 50 0 IIAARN COCc1ccccc1CNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000023132354 557016771 /nfs/dbraw/zinc/01/67/71/557016771.db2.gz ZHHTVNPTLOSBLM-QFIPXVFZSA-N 0 0 442.625 4.298 50 0 IIAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)NCc3ccc(C)cc3)n2)cc1 ZINC000046012283 557018710 /nfs/dbraw/zinc/01/87/10/557018710.db2.gz UBBJZWVCICUPCQ-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 ZINC000072008991 557019656 /nfs/dbraw/zinc/01/96/56/557019656.db2.gz GGMGIHPJVICMQM-QZTJIDSGSA-N 0 0 426.563 4.066 50 0 IIAARN COc1ccc(CCN2C(=O)O[C@@H](c3ccc(OC)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427215 557021047 /nfs/dbraw/zinc/02/10/47/557021047.db2.gz BMGZPSGFNQOESX-AHWVRZQESA-N 0 0 449.503 4.294 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020333 557020912 /nfs/dbraw/zinc/02/09/12/557020912.db2.gz GVAFOXGKSRJKOS-UHFFFAOYSA-N 0 0 444.513 4.018 50 0 IIAARN CCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc2OC)n1 ZINC000046020231 557021053 /nfs/dbraw/zinc/02/10/53/557021053.db2.gz MRONJBBGSVICCQ-UHFFFAOYSA-N 0 0 435.933 4.172 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)NCc3cccnc3)cc(-c3ccccc3)c12 ZINC000046016613 557022842 /nfs/dbraw/zinc/02/28/42/557022842.db2.gz DNKOEHOCMJFTMM-UHFFFAOYSA-N 0 0 449.514 4.486 50 0 IIAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c2c(c1=O)CCCC2 ZINC000046027575 557023534 /nfs/dbraw/zinc/02/35/34/557023534.db2.gz UQQYGFMKFHKDLR-UHFFFAOYSA-N 0 0 437.565 4.227 50 0 IIAARN COc1cccc2cc(-c3csc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)n3)oc21 ZINC000010749216 557023899 /nfs/dbraw/zinc/02/38/99/557023899.db2.gz JGSOWURFQSWKRO-UHFFFAOYSA-N 0 0 442.518 4.150 50 0 IIAARN Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1 ZINC000046031615 557024392 /nfs/dbraw/zinc/02/43/92/557024392.db2.gz IWUIUIVWDUIYLY-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032309 557024534 /nfs/dbraw/zinc/02/45/34/557024534.db2.gz DUYUYILACCOHKT-UHFFFAOYSA-N 0 0 432.549 4.239 50 0 IIAARN COCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032334 557024555 /nfs/dbraw/zinc/02/45/55/557024555.db2.gz HAZZZMYERJKCLT-UHFFFAOYSA-N 0 0 426.586 4.156 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc(OCC)c1OCC ZINC000010751234 557024994 /nfs/dbraw/zinc/02/49/94/557024994.db2.gz LTRAILYNFDHRCV-UHFFFAOYSA-N 0 0 439.867 4.471 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1 ZINC000023143261 557025163 /nfs/dbraw/zinc/02/51/63/557025163.db2.gz VGVUATAHOQEIMY-UHFFFAOYSA-N 0 0 433.487 4.096 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000023143341 557025188 /nfs/dbraw/zinc/02/51/88/557025188.db2.gz NDOUPXKVDQDWQC-UHFFFAOYSA-N 0 0 436.537 4.237 50 0 IIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000023144017 557025746 /nfs/dbraw/zinc/02/57/46/557025746.db2.gz MQBUKFAQJDVKPZ-UHFFFAOYSA-N 0 0 443.887 4.287 50 0 IIAARN Cc1nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000023144027 557025844 /nfs/dbraw/zinc/02/58/44/557025844.db2.gz ICHCJPSWKHOXAQ-UHFFFAOYSA-N 0 0 439.924 4.289 50 0 IIAARN O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053578 557026662 /nfs/dbraw/zinc/02/66/62/557026662.db2.gz QSZBCJLMMLFCSG-QGZVFWFLSA-N 0 0 425.504 4.088 50 0 IIAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000010786047 557026924 /nfs/dbraw/zinc/02/69/24/557026924.db2.gz QCROAKIWZTWTMI-UHFFFAOYSA-N 0 0 449.935 4.346 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)c1nc3ccccc3s1)CN(Cc1ccccc1)CC2 ZINC000023153824 557028630 /nfs/dbraw/zinc/02/86/30/557028630.db2.gz STKNRTWPMVVGMM-UHFFFAOYSA-N 0 0 448.573 4.267 50 0 IIAARN NC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153819 557028766 /nfs/dbraw/zinc/02/87/66/557028766.db2.gz JSLXZIGIJOZGST-UHFFFAOYSA-N 0 0 431.970 4.373 50 0 IIAARN CN(c1ccc2sc(C(=O)NCc3cccnc3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058495 557029446 /nfs/dbraw/zinc/02/94/46/557029446.db2.gz JNBNIDJLWRQFPW-UHFFFAOYSA-N 0 0 437.546 4.051 50 0 IIAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000046075517 557031979 /nfs/dbraw/zinc/03/19/79/557031979.db2.gz JSJZELXYINWHKY-QGZVFWFLSA-N 0 0 448.548 4.052 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000046079822 557035060 /nfs/dbraw/zinc/03/50/60/557035060.db2.gz ARUZLJIEOFQALE-UHFFFAOYSA-N 0 0 429.520 4.458 50 0 biogenic IIAARN CCCCOc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2ccc(OC)cc2)cc1OC ZINC000046081379 557035574 /nfs/dbraw/zinc/03/55/74/557035574.db2.gz DQJSBCSOMRPIGM-UHFFFAOYSA-N 0 0 435.480 4.075 50 0 IIAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)Nc1ccc(F)cc1 ZINC000017190097 557035712 /nfs/dbraw/zinc/03/57/12/557035712.db2.gz ONZDTSMSAZOPJX-UHFFFAOYSA-N 0 0 426.451 4.177 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1OC ZINC000046086977 557035882 /nfs/dbraw/zinc/03/58/82/557035882.db2.gz OAMOOGGCMQECRW-UHFFFAOYSA-N 0 0 445.497 4.189 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)s1 ZINC000032947337 557041690 /nfs/dbraw/zinc/04/16/90/557041690.db2.gz BBTRJDRDHVTNEG-UHFFFAOYSA-N 0 0 438.644 4.353 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1ccccc1 ZINC000017243816 557043683 /nfs/dbraw/zinc/04/36/83/557043683.db2.gz NSNAUAKHXRWIFH-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN C[C@@H](NC(=S)Nc1ccc(Br)cc1)[C@H](c1cccs1)N1CCOCC1 ZINC000023182275 557045993 /nfs/dbraw/zinc/04/59/93/557045993.db2.gz VWUIVLIQRYZKBQ-CXAGYDPISA-N 0 0 440.432 4.259 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2nccn2Cc2ccccc2)C1 ZINC000097049032 557046179 /nfs/dbraw/zinc/04/61/79/557046179.db2.gz JSLZNGCYLUIZRX-MSOLQXFVSA-N 0 0 438.494 4.351 50 0 IIAARN Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)Nc4cccc5ccccc54)c3)nn12 ZINC000033269721 557047288 /nfs/dbraw/zinc/04/72/88/557047288.db2.gz LYAVFWMWQIDDDP-UHFFFAOYSA-N 0 0 429.505 4.362 50 0 IIAARN Cc1nnc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)cs3)no2)s1 ZINC000033270744 557047717 /nfs/dbraw/zinc/04/77/17/557047717.db2.gz QCRRZSGLDYCLKU-UHFFFAOYSA-N 0 0 444.567 4.217 50 0 IIAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@@H]1CCOc2ccccc21 ZINC000048261971 557049559 /nfs/dbraw/zinc/04/95/59/557049559.db2.gz MUPYICAVLSBKNO-CYBMUJFWSA-N 0 0 442.850 4.134 50 0 IIAARN Cc1ccc(-c2nc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cs2)cc1 ZINC000022932570 557050917 /nfs/dbraw/zinc/05/09/17/557050917.db2.gz AEDKJOFKSJQXDA-UHFFFAOYSA-N 0 0 434.609 4.492 50 0 IIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@H]2c2ccc(C)o2)cc1 ZINC000048288798 557054059 /nfs/dbraw/zinc/05/40/59/557054059.db2.gz JDPAMBAGYMONHV-DQEYMECFSA-N 0 0 446.503 4.255 50 0 IIAARN COCc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1 ZINC000022993301 557056387 /nfs/dbraw/zinc/05/63/87/557056387.db2.gz VWCIWXLFDQQAGJ-UHFFFAOYSA-N 0 0 446.912 4.245 50 0 IIAARN CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032948354 557056410 /nfs/dbraw/zinc/05/64/10/557056410.db2.gz MQDBOBCTGGWOPG-VIFPVBQESA-N 0 0 441.003 4.165 50 0 IIAARN COc1ccc([C@@H]2CCCN2Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)c(OC)c1 ZINC000023004278 557056823 /nfs/dbraw/zinc/05/68/23/557056823.db2.gz YVSRJYIVTSVESC-SFHVURJKSA-N 0 0 442.516 4.284 50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3noc(-c4ccsc4)n3)c12 ZINC000023008068 557057079 /nfs/dbraw/zinc/05/70/79/557057079.db2.gz YPSMMAVVUFPDHR-UHFFFAOYSA-N 0 0 431.477 4.412 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nc3)cs2)cc1 ZINC000048278280 557057163 /nfs/dbraw/zinc/05/71/63/557057163.db2.gz RHJJLWKJPFIATM-CALCHBBNSA-N 0 0 438.553 4.291 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)cs2)cc1 ZINC000048278286 557057253 /nfs/dbraw/zinc/05/72/53/557057253.db2.gz RHJJLWKJPFIATM-IRXDYDNUSA-N 0 0 438.553 4.291 50 0 IIAARN CCn1nc(C(=O)N2CCCc3cccc(N4[C@@H](C)CC[C@@H]4C)c32)c2ccccc2c1=O ZINC000048286604 557058491 /nfs/dbraw/zinc/05/84/91/557058491.db2.gz RMPSPAIGYXHAHZ-ROUUACIJSA-N 0 0 430.552 4.387 50 0 IIAARN COc1ccc([C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000048312213 557058795 /nfs/dbraw/zinc/05/87/95/557058795.db2.gz YFMLRJJUZDGZAH-GOSISDBHSA-N 0 0 431.554 4.017 50 0 IIAARN CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(OC)cc2)c1 ZINC000048309685 557060260 /nfs/dbraw/zinc/06/02/60/557060260.db2.gz NBPZRXJXCPFWHR-UHFFFAOYSA-N 0 0 431.536 4.086 50 0 IIAARN Cc1cc2ccccc2n1CC(=O)OCc1csc(CC(=O)NCc2ccccc2)n1 ZINC000023076965 557062092 /nfs/dbraw/zinc/06/20/92/557062092.db2.gz QMPALRMYYUFDLO-UHFFFAOYSA-N 0 0 433.533 4.009 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000023080980 557062710 /nfs/dbraw/zinc/06/27/10/557062710.db2.gz PAZRSUSNOBCBAE-SFHVURJKSA-N 0 0 430.551 4.389 50 0 IIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CS2 ZINC000023080028 557062716 /nfs/dbraw/zinc/06/27/16/557062716.db2.gz CUUTVJSLTGSWTB-VQIMIIECSA-N 0 0 427.492 4.088 50 0 IIAARN COc1ccc(CNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 ZINC000023126767 557065456 /nfs/dbraw/zinc/06/54/56/557065456.db2.gz WIKOPZFEXKOLPS-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2nc(-c3cccc(-c4csc(C)n4)c3)no2)c1 ZINC000033283727 557068626 /nfs/dbraw/zinc/06/86/26/557068626.db2.gz OUYKOBVXXHIONA-UHFFFAOYSA-N 0 0 436.493 4.116 50 0 IIAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290499 557068892 /nfs/dbraw/zinc/06/88/92/557068892.db2.gz XKKPPXGNQWJWFO-GOSISDBHSA-N 0 0 430.508 4.308 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1sc2ccccc2c1Cl ZINC000017360490 557069313 /nfs/dbraw/zinc/06/93/13/557069313.db2.gz AXNIREFWTABYMZ-UHFFFAOYSA-N 0 0 436.942 4.297 50 0 IIAARN CSc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000033291317 557069513 /nfs/dbraw/zinc/06/95/13/557069513.db2.gz HFPROZSCNBKGLJ-CYBMUJFWSA-N 0 0 428.901 4.218 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000048332269 557069785 /nfs/dbraw/zinc/06/97/85/557069785.db2.gz ULEUXUOTKKHETK-HXUWFJFHSA-N 0 0 443.569 4.011 50 0 IIAARN O=C(c1ccc(OC(F)F)cc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048341776 557071077 /nfs/dbraw/zinc/07/10/77/557071077.db2.gz VJDJXZGZYFILDB-UHFFFAOYSA-N 0 0 429.250 4.193 50 0 IIAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)cc1 ZINC000033289582 557071258 /nfs/dbraw/zinc/07/12/58/557071258.db2.gz JFMBPSSNZIWFHA-ZGQNHIEXSA-N 0 0 430.508 4.423 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1 ZINC000033296675 557072518 /nfs/dbraw/zinc/07/25/18/557072518.db2.gz BJSRFZWLMZPDBB-AZUAARDMSA-N 0 0 433.552 4.272 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccn3)no2)c1C ZINC000033296917 557072811 /nfs/dbraw/zinc/07/28/11/557072811.db2.gz SLAIXNVHVRYTHX-UHFFFAOYSA-N 0 0 433.859 4.364 50 0 IIAARN COc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1OC(C)C ZINC000048355362 557073912 /nfs/dbraw/zinc/07/39/12/557073912.db2.gz FLZNFRBKBKDQAV-HXUWFJFHSA-N 0 0 434.330 4.459 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2nccn2C)c2ccccc2)c(Br)c1 ZINC000048361799 557074042 /nfs/dbraw/zinc/07/40/42/557074042.db2.gz RTDMNNBZYHBVGQ-DNVCBOLYSA-N 0 0 428.330 4.164 50 0 IIAARN O=C(CSc1ncnc2c3cc(Br)ccc3[nH]c21)NCc1ccc(F)cc1 ZINC000033298711 557074530 /nfs/dbraw/zinc/07/45/30/557074530.db2.gz BKYAWGWZLYKSKY-UHFFFAOYSA-N 0 0 445.317 4.421 50 0 IIAARN COc1ccc(-c2nc(CSc3nnnn3-c3ccc(C)cc3)cs2)cc1OC ZINC000010889211 557075005 /nfs/dbraw/zinc/07/50/05/557075005.db2.gz NFGQAUNKAWUHOH-UHFFFAOYSA-N 0 0 425.539 4.404 50 0 IIAARN CCc1nc(CN2CCN(C(=O)c3c(C)onc3-c3c(F)cccc3Cl)CC2)cs1 ZINC000048375482 557076701 /nfs/dbraw/zinc/07/67/01/557076701.db2.gz XOSGAEOQQHGKIA-UHFFFAOYSA-N 0 0 448.951 4.419 50 0 IIAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3C)c2c1=O ZINC000048989100 557083106 /nfs/dbraw/zinc/08/31/06/557083106.db2.gz HDMLPUUVZAWESY-UHFFFAOYSA-N 0 0 444.535 4.157 50 0 IIAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc32)cc1 ZINC000049004875 557084058 /nfs/dbraw/zinc/08/40/58/557084058.db2.gz IFXKYZDWFMKCTA-UHFFFAOYSA-N 0 0 448.523 4.111 50 0 IIAARN O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)NCC1(c2ccccc2)CCCCC1 ZINC000023367702 557088482 /nfs/dbraw/zinc/08/84/82/557088482.db2.gz LXUQYWOHBQZQTH-UHFFFAOYSA-N 0 0 447.535 4.340 50 0 IIAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)Nc1ccc(F)c(Cl)c1 ZINC000049028989 557088639 /nfs/dbraw/zinc/08/86/39/557088639.db2.gz ALTGPFOTRYVWGB-UHFFFAOYSA-N 0 0 431.880 4.254 50 0 IIAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)o1 ZINC000033308357 557088856 /nfs/dbraw/zinc/08/88/56/557088856.db2.gz CDPAWJONJSVPGD-QFIPXVFZSA-N 0 0 443.459 4.403 50 0 IIAARN Cc1nc(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)sc1C ZINC000049029066 557089037 /nfs/dbraw/zinc/08/90/37/557089037.db2.gz CILZLDQSUAWBRB-UHFFFAOYSA-N 0 0 431.568 4.269 50 0 IIAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)cc1 ZINC000033308633 557089435 /nfs/dbraw/zinc/08/94/35/557089435.db2.gz LXPOVRMAYUFYKS-QFIPXVFZSA-N 0 0 441.531 4.225 50 0 IIAARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382309 557089690 /nfs/dbraw/zinc/08/96/90/557089690.db2.gz DCFDFPVSRRPJKH-WZONZLPQSA-N 0 0 440.503 4.285 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1C ZINC000023382428 557089941 /nfs/dbraw/zinc/08/99/41/557089941.db2.gz PKAJJOSBMLVOLU-JOCHJYFZSA-N 0 0 425.492 4.165 50 0 IIAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000023397730 557090530 /nfs/dbraw/zinc/09/05/30/557090530.db2.gz ZMKGDWCFVKRLJR-UHFFFAOYSA-N 0 0 435.299 4.404 50 0 IIAARN COc1cccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2cccnc2)c1 ZINC000049003641 557091364 /nfs/dbraw/zinc/09/13/64/557091364.db2.gz ZDGNSPQGHNDMPF-UHFFFAOYSA-N 0 0 437.862 4.060 50 0 IIAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000010908470 557091686 /nfs/dbraw/zinc/09/16/86/557091686.db2.gz FZNITRVVDHTBGI-LJQANCHMSA-N 0 0 446.526 4.086 50 0 IIAARN CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000033310265 557093849 /nfs/dbraw/zinc/09/38/49/557093849.db2.gz PQXNSDICDRYARO-SFHVURJKSA-N 0 0 437.544 4.491 50 0 IIAARN O=C(Nc1cccc2nsnc21)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000049371982 557094691 /nfs/dbraw/zinc/09/46/91/557094691.db2.gz AEYMTZVZSCESEX-UHFFFAOYSA-N 0 0 434.500 4.143 50 0 IIAARN CCOc1ccccc1-c1nc(CC(=O)NC2(c3noc(C)n3)CCCCC2)cs1 ZINC000023508682 557095582 /nfs/dbraw/zinc/09/55/82/557095582.db2.gz DKCQVBPNBKQPPM-UHFFFAOYSA-N 0 0 426.542 4.419 50 0 IIAARN COc1cccc(CN(C)C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1OC ZINC000023528370 557095768 /nfs/dbraw/zinc/09/57/68/557095768.db2.gz BWXVWYLKFGOOOA-UHFFFAOYSA-N 0 0 431.492 4.203 50 0 IIAARN CCOc1ccc(NC(=O)CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1OCC ZINC000023532994 557096193 /nfs/dbraw/zinc/09/61/93/557096193.db2.gz MKDSTSIFZRNKGX-UHFFFAOYSA-N 0 0 437.540 4.385 50 0 IIAARN CCc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312900 557097676 /nfs/dbraw/zinc/09/76/76/557097676.db2.gz LMXIIVVSGLLFEN-KDYSTLNUSA-N 0 0 447.623 4.284 50 0 IIAARN COc1ccc([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1 ZINC000023555087 557098111 /nfs/dbraw/zinc/09/81/11/557098111.db2.gz QSOKGZJXJADVHI-SANMLTNESA-N 0 0 430.548 4.094 50 0 IIAARN Cc1ccnn1-c1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 ZINC000049404354 557099630 /nfs/dbraw/zinc/09/96/30/557099630.db2.gz XHYHMWWSVKIUQK-UHFFFAOYSA-N 0 0 427.839 4.374 50 0 IIAARN O=S(=O)(c1cccn2cnnc12)N(Cc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000049404923 557099811 /nfs/dbraw/zinc/09/98/11/557099811.db2.gz OUNHTZAPFHQIOC-UHFFFAOYSA-N 0 0 434.855 4.056 50 0 IIAARN COc1cccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3cnnc23)c1 ZINC000049404985 557100000 /nfs/dbraw/zinc/10/00/00/557100000.db2.gz APPXVQTUPRLZIX-UHFFFAOYSA-N 0 0 436.537 4.257 50 0 IIAARN Cc1cc(C)cc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)c1 ZINC000049404954 557100018 /nfs/dbraw/zinc/10/00/18/557100018.db2.gz SOBLVUDKRZJLIW-UHFFFAOYSA-N 0 0 426.929 4.395 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3Cl)c3ccc(F)c(F)c3)cccn12 ZINC000049405188 557100366 /nfs/dbraw/zinc/10/03/66/557100366.db2.gz NLHJFDTZGIJZHE-UHFFFAOYSA-N 0 0 448.882 4.365 50 0 IIAARN COc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000023595100 557100535 /nfs/dbraw/zinc/10/05/35/557100535.db2.gz KACXEPUYWUIXAC-FQEVSTJZSA-N 0 0 446.547 4.368 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3cccc(Cl)c3)cccn12 ZINC000049405208 557100618 /nfs/dbraw/zinc/10/06/18/557100618.db2.gz SKUOLZCBPWAIDE-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 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COc1ccc2c(c1)-c1nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc1CC2 ZINC000000792493 557203478 /nfs/dbraw/zinc/20/34/78/557203478.db2.gz SCGCOIWVOPDKHE-UHFFFAOYSA-N 0 0 426.494 4.195 50 0 IIAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)Nc2c(C)cccc2CC)c1=O ZINC000011589953 557205178 /nfs/dbraw/zinc/20/51/78/557205178.db2.gz KHEPRBUMQVQYQV-UHFFFAOYSA-N 0 0 449.551 4.182 50 0 IIAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000011591753 557206513 /nfs/dbraw/zinc/20/65/13/557206513.db2.gz LAPMWLUGXDHELS-SFHVURJKSA-N 0 0 437.550 4.201 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1CC(F)(F)F ZINC000010985149 557210744 /nfs/dbraw/zinc/21/07/44/557210744.db2.gz ZPJKJGLEOLJTGK-GFCCVEGCSA-N 0 0 440.443 4.140 50 0 IIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000025469138 557211941 /nfs/dbraw/zinc/21/19/41/557211941.db2.gz MLYCCZFGPVODGR-QGZVFWFLSA-N 0 0 436.533 4.176 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000011617246 557212961 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IIAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)no1 ZINC000025725341 557223568 /nfs/dbraw/zinc/22/35/68/557223568.db2.gz YXZJDMVQFHGMNN-OAHLLOKOSA-N 0 0 438.509 4.243 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000025802583 557227141 /nfs/dbraw/zinc/22/71/41/557227141.db2.gz ZQBDZIIZVPDCHW-QGZVFWFLSA-N 0 0 432.561 4.155 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000025829604 557228137 /nfs/dbraw/zinc/22/81/37/557228137.db2.gz GLWMOKXYDTUVMV-GFCCVEGCSA-N 0 0 436.737 4.495 50 0 IIAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccc(Cl)cn1 ZINC000025893879 557229397 /nfs/dbraw/zinc/22/93/97/557229397.db2.gz YHXXRSHKEFPOAR-LLVKDONJSA-N 0 0 438.340 4.215 50 0 IIAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000000807650 557231197 /nfs/dbraw/zinc/23/11/97/557231197.db2.gz RDURXPHYCLUJBV-UHFFFAOYSA-N 0 0 433.508 4.282 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCC1 ZINC000025970625 557231395 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COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(F)ccc3F)n2)cc1F ZINC000098211422 557234935 /nfs/dbraw/zinc/23/49/35/557234935.db2.gz FTCUJODIBNSLKW-UHFFFAOYSA-N 0 0 428.370 4.270 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018067548 557234955 /nfs/dbraw/zinc/23/49/55/557234955.db2.gz GIIMJJMIHWGLSE-HSALFYBXSA-N 0 0 440.286 4.440 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211514 557235079 /nfs/dbraw/zinc/23/50/79/557235079.db2.gz ZINKSKARUOPJBF-UHFFFAOYSA-N 0 0 434.427 4.160 50 0 IIAARN CSc1nc2nc(C)c(CC(=O)Oc3ccc(Cl)cc3Br)c(C)n2n1 ZINC000018083668 557235654 /nfs/dbraw/zinc/23/56/54/557235654.db2.gz DOVLZKLLDIYRML-UHFFFAOYSA-N 0 0 441.738 4.027 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000018092566 557236341 /nfs/dbraw/zinc/23/63/41/557236341.db2.gz NLJGHAFBCBMVPP-LBPRGKRZSA-N 0 0 435.324 4.354 50 0 IIAARN O=S(=O)(c1cccc(Cl)c1)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032950416 557236844 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COc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4ccc(C)cc4)cn32)cc1 ZINC000032951557 557245889 /nfs/dbraw/zinc/24/58/89/557245889.db2.gz HNZSOFKFWBHEHN-UHFFFAOYSA-N 0 0 447.520 4.029 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(OC(F)(F)F)cc1)c1cn(C)c3cccc(c13)N2 ZINC000604418964 557251198 /nfs/dbraw/zinc/25/11/98/557251198.db2.gz XLZFSDDFGNQDLC-LJQANCHMSA-N 0 0 441.409 4.277 50 0 IIAARN COc1ccc([C@@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)C(C)C)cc1OC ZINC000604419554 557251586 /nfs/dbraw/zinc/25/15/86/557251586.db2.gz CPNFWGGQEHZCDU-AVRDEDQJSA-N 0 0 437.544 4.033 50 0 IIAARN CCOc1ccc(-c2c(C)sc3ncn(CC(=O)Nc4ccccc4OC)c(=O)c32)cc1 ZINC000000812758 557253771 /nfs/dbraw/zinc/25/37/71/557253771.db2.gz FAXNKTOHESDERY-UHFFFAOYSA-N 0 0 449.532 4.479 50 0 IIAARN COc1ccccc1CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014969302 557259193 /nfs/dbraw/zinc/25/91/93/557259193.db2.gz KTALUVYNCOBYGX-SFHVURJKSA-N 0 0 439.508 4.428 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365306 557261128 /nfs/dbraw/zinc/26/11/28/557261128.db2.gz AXRWEQQKIGFMHE-HNNXBMFYSA-N 0 0 433.585 4.316 50 0 IIAARN CC(=O)N1CCCN(c2nc(CN(C)[C@H](C)c3cccs3)nc3c(C)cccc32)CC1 ZINC000014969974 557263384 /nfs/dbraw/zinc/26/33/84/557263384.db2.gz ZSAQKOXTQFKGMU-GOSISDBHSA-N 0 0 437.613 4.251 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027562909 557265442 /nfs/dbraw/zinc/26/54/42/557265442.db2.gz KJEDTJGMQQQHKE-UHFFFAOYSA-N 0 0 439.990 4.056 50 0 IIAARN CCN(CC(=O)NCCSc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000027563846 557265526 /nfs/dbraw/zinc/26/55/26/557265526.db2.gz YVPADADMUANJSX-UHFFFAOYSA-N 0 0 440.396 4.162 50 0 IIAARN COc1cc([C@@H]2CC(c3ccc(Cl)cc3Cl)=Nc3nnnn32)cc(OC)c1OC ZINC000101217097 557265631 /nfs/dbraw/zinc/26/56/31/557265631.db2.gz SLQPLYNGIQDZOO-HNNXBMFYSA-N 0 0 434.283 4.062 50 0 IIAARN CC[C@@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000027570235 557265815 /nfs/dbraw/zinc/26/58/15/557265815.db2.gz VPABGKLVUBYRCY-CYBMUJFWSA-N 0 0 448.894 4.469 50 0 IIAARN CC(C)Oc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027663531 557269786 /nfs/dbraw/zinc/26/97/86/557269786.db2.gz PPOXDNAWIDLGPJ-MRXNPFEDSA-N 0 0 439.936 4.096 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000024958038 557269937 /nfs/dbraw/zinc/26/99/37/557269937.db2.gz WPKRXLGVBWAPMT-QGZVFWFLSA-N 0 0 425.554 4.445 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100722364 557271428 /nfs/dbraw/zinc/27/14/28/557271428.db2.gz CLDHLEJEAVKJKI-XPWALMASSA-N 0 0 432.451 4.276 50 0 IIAARN CCOc1ccc2nc(NC(=O)c3nc(SC)ncc3Br)sc2c1 ZINC000027742665 557272245 /nfs/dbraw/zinc/27/22/45/557272245.db2.gz FCAHZOURULFHBO-UHFFFAOYSA-N 0 0 425.333 4.222 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@H]1c1cccc(F)c1 ZINC000101401369 557280195 /nfs/dbraw/zinc/28/01/95/557280195.db2.gz GVZTVARFLUQVCS-NRFANRHFSA-N 0 0 443.544 4.413 50 0 IIAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NC(=O)NC1CCCC1 ZINC000014017152 557281075 /nfs/dbraw/zinc/28/10/75/557281075.db2.gz RPHVKYOEAPOOAT-UHFFFAOYSA-N 0 0 447.630 4.296 50 0 IIAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(C)n1C1CC1 ZINC000014013853 557282000 /nfs/dbraw/zinc/28/20/00/557282000.db2.gz QGRBVGQNYSHPBL-UHFFFAOYSA-N 0 0 448.519 4.408 50 0 IIAARN Cc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NC3CC3)N21 ZINC000101385996 557282121 /nfs/dbraw/zinc/28/21/21/557282121.db2.gz TYUYDORWARQJBY-OAQYLSRUSA-N 0 0 425.554 4.190 50 0 IIAARN CCOc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013096377 557282134 /nfs/dbraw/zinc/28/21/34/557282134.db2.gz HFWPGJFXXZBQBT-LFIBNONCSA-N 0 0 428.554 4.302 50 0 IIAARN Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000013097622 557282885 /nfs/dbraw/zinc/28/28/85/557282885.db2.gz AVLWLWJWJQSRPB-ZHACJKMWSA-N 0 0 444.944 4.143 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101232144 557285137 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COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(OC)cc4)n3)c2)cc1 ZINC000033327402 557333201 /nfs/dbraw/zinc/33/32/01/557333201.db2.gz FQMFMGPQDSHLBX-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COC(=O)CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023329627 557339275 /nfs/dbraw/zinc/33/92/75/557339275.db2.gz NNGJHLDNMYTDAQ-UHFFFAOYSA-N 0 0 446.551 4.417 50 0 IIAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000102529826 557340994 /nfs/dbraw/zinc/34/09/94/557340994.db2.gz IONZBMKLZDOWHY-UHFFFAOYSA-N 0 0 445.450 4.093 50 0 IIAARN COC(=O)c1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023330329 557341126 /nfs/dbraw/zinc/34/11/26/557341126.db2.gz UBGOFCDSJDUWOV-RUZDIDTESA-N 0 0 428.532 4.329 50 0 IIAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)/C=C/c3cccc(Cl)c3)C2=O)cc1 ZINC000033674333 557345886 /nfs/dbraw/zinc/34/58/86/557345886.db2.gz SCCLJKUSKSCTGR-AOEVHAJLSA-N 0 0 442.924 4.215 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023336275 557348809 /nfs/dbraw/zinc/34/88/09/557348809.db2.gz POFLXRUYLSVVFN-HSZRJFAPSA-N 0 0 428.504 4.061 50 0 IIAARN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023334862 557349772 /nfs/dbraw/zinc/34/97/72/557349772.db2.gz AXPUJYPWLYYGJH-LOSJGSFVSA-N 0 0 448.950 4.414 50 0 IIAARN O=C(c1cccnc1Cl)N1CCN(Cc2ccc(-c3noc(-c4ccco4)n3)cc2)CC1 ZINC000023448394 557355993 /nfs/dbraw/zinc/35/59/93/557355993.db2.gz YWJMTZQOMWRMQR-UHFFFAOYSA-N 0 0 449.898 4.003 50 0 IIAARN O=C(Nc1ccccc1SCc1cc(=O)n2nc(-c3ccccc3)nc2[nH]1)c1ccco1 ZINC000102621380 557359604 /nfs/dbraw/zinc/35/96/04/557359604.db2.gz MRBLJZVSLPTLCD-UHFFFAOYSA-N 0 0 443.488 4.222 50 0 IIAARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc(OC)c1OC ZINC000102658474 557362128 /nfs/dbraw/zinc/36/21/28/557362128.db2.gz MZYSVCYTJQRGJU-KRWDZBQOSA-N 0 0 430.530 4.333 50 0 IIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)OCC(=O)NCc1cccs1 ZINC000023469795 557363607 /nfs/dbraw/zinc/36/36/07/557363607.db2.gz XNOXZFIEHSNDLQ-UHFFFAOYSA-N 0 0 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O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000103027081 557416669 /nfs/dbraw/zinc/41/66/69/557416669.db2.gz GYDOUSLYCRKTBK-RTBURBONSA-N 0 0 433.533 4.467 50 0 IIAARN CC(C)(C)OC(=O)NC1(CNC(=O)CCc2nnc(-c3ccccc3)o2)CCCCCC1 ZINC000024495078 557434529 /nfs/dbraw/zinc/43/45/29/557434529.db2.gz DGQGYJVDEDZROC-UHFFFAOYSA-N 0 0 442.560 4.403 50 0 IIAARN CC(C)(C)c1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000103684120 557440307 /nfs/dbraw/zinc/44/03/07/557440307.db2.gz OZIJCCMDTWRUDG-LIXHSBQKSA-N 0 0 434.536 4.211 50 0 IIAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000104125885 557450674 /nfs/dbraw/zinc/45/06/74/557450674.db2.gz LMVPZPFLBVVRNG-QGZVFWFLSA-N 0 0 434.517 4.271 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000014786005 557452208 /nfs/dbraw/zinc/45/22/08/557452208.db2.gz JYMXHIRMTXDTPS-UHFFFAOYSA-N 0 0 433.847 4.163 50 0 IIAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCN(c2ccccc2Cl)CC1 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557704105 /nfs/dbraw/zinc/70/41/05/557704105.db2.gz XPXZSAVFLUBGSY-CQSZACIVSA-N 0 0 448.972 4.155 50 0 IIAARN COCC1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000225416861 557720695 /nfs/dbraw/zinc/72/06/95/557720695.db2.gz SEQGIGGIIVQOOY-UHFFFAOYSA-N 0 0 432.348 4.178 50 0 IIAARN COCCCCN(c1ccc(Br)cn1)S(=O)(=O)c1cc(F)c(C)cc1F ZINC000225530535 557737374 /nfs/dbraw/zinc/73/73/74/557737374.db2.gz UKSXFQJHFIGQCG-UHFFFAOYSA-N 0 0 449.317 4.053 50 0 IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000096335943 557779813 /nfs/dbraw/zinc/77/98/13/557779813.db2.gz QPNCHVOMKBBVFD-NFBKMPQASA-N 0 0 431.419 4.472 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3n2)cc1 ZINC000001517120 557805578 /nfs/dbraw/zinc/80/55/78/557805578.db2.gz IRGROKRXQMRSEW-UHFFFAOYSA-N 0 0 426.398 4.354 50 0 IIAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226872522 557810172 /nfs/dbraw/zinc/81/01/72/557810172.db2.gz 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COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(OC)c1 ZINC000000866686 557839983 /nfs/dbraw/zinc/83/99/83/557839983.db2.gz LDCHHMCNLPLOEI-WMLDXEAASA-N 0 0 436.390 4.406 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 ZINC000000870662 557842013 /nfs/dbraw/zinc/84/20/13/557842013.db2.gz LVOVXLLFLDQTDN-NRFANRHFSA-N 0 0 449.532 4.209 50 0 IIAARN Cc1ccccc1[C@@H](C)c1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000238936983 557842049 /nfs/dbraw/zinc/84/20/49/557842049.db2.gz SRSKLZLKOAOHET-MRXNPFEDSA-N 0 0 429.517 4.237 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H](C(=O)NCCc3ccccc3)C2)cc1 ZINC000034708731 557850979 /nfs/dbraw/zinc/85/09/79/557850979.db2.gz HYIPYNQBRKWZPH-DQEYMECFSA-N 0 0 442.559 4.300 50 0 IIAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000000884684 557854778 /nfs/dbraw/zinc/85/47/78/557854778.db2.gz WNQKLADTAQMWPJ-MJGOQNOKSA-N 0 0 446.477 4.132 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC1=NS(=O)(=O)c2ccccc21 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CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000003643653 562937194 /nfs/dbraw/zinc/93/71/94/562937194.db2.gz OYYVCXWUCYZTTN-IBGZPJMESA-N 0 0 449.488 4.110 50 0 IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657682 562937545 /nfs/dbraw/zinc/93/75/45/562937545.db2.gz YNIBJVBFIAZVRV-ZEQRLZLVSA-N 0 0 446.503 4.262 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000003959624 562940078 /nfs/dbraw/zinc/94/00/78/562940078.db2.gz QLSWFNQHDULUMY-UHFFFAOYSA-N 0 0 430.302 4.065 50 0 IIAARN O=C(CN1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCCC3)cc2)cc1 ZINC000004118291 562942187 /nfs/dbraw/zinc/94/21/87/562942187.db2.gz RTGRJCRSQRIYDI-UHFFFAOYSA-N 0 0 448.611 4.126 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC ZINC000006530778 562947186 /nfs/dbraw/zinc/94/71/86/562947186.db2.gz WCWDNUBYUCFOAT-JOCHJYFZSA-N 0 0 428.444 4.263 50 0 IIAARN COc1cc(C(=O)Oc2ccc3c(OC)c4ccoc4nc3c2OC)cc(OC)c1OC ZINC000008398941 562949314 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CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)CC1 ZINC000008608992 562957540 /nfs/dbraw/zinc/95/75/40/562957540.db2.gz IBFPHKNXJZLDBC-UHFFFAOYSA-N 0 0 440.544 4.165 50 0 IIAARN CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2cccc(C)c2)ncc1Cl ZINC000008613901 562959435 /nfs/dbraw/zinc/95/94/35/562959435.db2.gz WHIMNVXRVSWADG-UHFFFAOYSA-N 0 0 445.928 4.063 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)nc1n2CC[C@@H](C)C1 ZINC000008614469 562959650 /nfs/dbraw/zinc/95/96/50/562959650.db2.gz WHWAKXYQGZAXMS-CYBMUJFWSA-N 0 0 428.330 4.320 50 0 IIAARN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)N2CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000008670732 562960737 /nfs/dbraw/zinc/96/07/37/562960737.db2.gz ADQOQDWLPPQSFQ-WOJBJXKFSA-N 0 0 432.568 4.337 50 0 aggregator IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccc(Cl)nc2)cc1 ZINC000008685393 562962459 /nfs/dbraw/zinc/96/24/59/562962459.db2.gz OPUJZUMGWPZTKN-NRFANRHFSA-N 0 0 449.894 4.278 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2 ZINC000008685593 562962526 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O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032492089 568811412 /nfs/dbraw/zinc/81/14/12/568811412.db2.gz IXBINAOQVDFFSM-IBGZPJMESA-N 0 0 434.458 4.226 50 0 IIAARN COC(=O)/C=C(/Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)OC ZINC000085389593 568816518 /nfs/dbraw/zinc/81/65/18/568816518.db2.gz XBYNBSLZSVGGEF-RIYZIHGNSA-N 0 0 431.750 4.155 50 0 IIAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc4c(c3)OCCO4)c2n1 ZINC000015735976 568816910 /nfs/dbraw/zinc/81/69/10/568816910.db2.gz AMGISQUYSAKGON-UHFFFAOYSA-N 0 0 431.496 4.029 50 0 IIAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000085413467 568818666 /nfs/dbraw/zinc/81/86/66/568818666.db2.gz QZBOOYGSFWPGDR-TZIWHRDSSA-N 0 0 426.852 4.247 50 0 IIAARN COC(=O)c1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2cccs2)cc1 ZINC000001452537 568818875 /nfs/dbraw/zinc/81/88/75/568818875.db2.gz GADXTULPOWVFIN-IBGZPJMESA-N 0 0 428.897 4.239 50 0 IIAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000001467224 568820421 /nfs/dbraw/zinc/82/04/21/568820421.db2.gz KLLXKJDFHWHQRH-HSZRJFAPSA-N 0 0 438.491 4.180 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccccc4OC)CC3)c(C)o2)cc1 ZINC000015774822 568823299 /nfs/dbraw/zinc/82/32/99/568823299.db2.gz LZYUASYIRCUILT-UHFFFAOYSA-N 0 0 436.512 4.017 50 0 IIAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3cc(C)ccc3C)c3sccc32)cc1 ZINC000015775428 568823582 /nfs/dbraw/zinc/82/35/82/568823582.db2.gz QPOUILMTZWUVQA-UHFFFAOYSA-N 0 0 433.533 4.196 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)c1ccccc1S2 ZINC000015784984 568829742 /nfs/dbraw/zinc/82/97/42/568829742.db2.gz PPAKWAQZIACLJW-UHFFFAOYSA-N 0 0 432.501 4.248 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)s1 ZINC000015827854 568841025 /nfs/dbraw/zinc/84/10/25/568841025.db2.gz HYNWXXBFMPOJKN-UHFFFAOYSA-N 0 0 446.454 4.228 50 0 IIAARN O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccco2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000043198644 568842902 /nfs/dbraw/zinc/84/29/02/568842902.db2.gz URSAENOKOCRFDG-SFHVURJKSA-N 0 0 446.488 4.355 50 0 IIAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2C)cc(OC)c1OC ZINC000015834617 568842980 /nfs/dbraw/zinc/84/29/80/568842980.db2.gz AYAIEYMXVZHKCU-JOCHJYFZSA-N 0 0 439.537 4.290 50 0 IIAARN COc1ccc(CN2CC=CC[C@@H](c3ccccc3I)C2=O)cc1 ZINC000043214694 568843185 /nfs/dbraw/zinc/84/31/85/568843185.db2.gz UXLLLRVQCXBILC-SFHVURJKSA-N 0 0 433.289 4.372 50 0 IIAARN CC1CCC(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)CC1 ZINC000015863273 568849062 /nfs/dbraw/zinc/84/90/62/568849062.db2.gz VWDIGHBSFAGYEN-UHFFFAOYSA-N 0 0 437.588 4.094 50 0 IIAARN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccsc1-c1nc(-c2cccs2)no1 ZINC000015863969 568849454 /nfs/dbraw/zinc/84/94/54/568849454.db2.gz ITFFXNWIMPQFSS-UHFFFAOYSA-N 0 0 447.519 4.080 50 0 IIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCCC4)C3)ccc21 ZINC000015864958 568849883 /nfs/dbraw/zinc/84/98/83/568849883.db2.gz MSYQKHQCMYUIKU-FQEVSTJZSA-N 0 0 445.629 4.291 50 0 IIAARN Cc1ccc(OCc2nnc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)n2C)cc1 ZINC000015865340 568850119 /nfs/dbraw/zinc/85/01/19/568850119.db2.gz XJSLJFLTTFQSIC-UHFFFAOYSA-N 0 0 426.929 4.490 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000015865487 568850768 /nfs/dbraw/zinc/85/07/68/568850768.db2.gz YPGPDFSADZBSOQ-UHFFFAOYSA-N 0 0 429.476 4.233 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)nc3n2)cc1 ZINC000015868166 568851091 /nfs/dbraw/zinc/85/10/91/568851091.db2.gz UCYYKPFICOFPSD-UHFFFAOYSA-N 0 0 449.339 4.349 50 0 IIAARN CCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000015870007 568851483 /nfs/dbraw/zinc/85/14/83/568851483.db2.gz CEYSFKUAQCXCON-UHFFFAOYSA-N 0 0 440.344 4.208 50 0 IIAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc2s1 ZINC000015870414 568851612 /nfs/dbraw/zinc/85/16/12/568851612.db2.gz LNGCOOSENWTKHX-UHFFFAOYSA-N 0 0 446.554 4.184 50 0 IIAARN COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880679 568854275 /nfs/dbraw/zinc/85/42/75/568854275.db2.gz AWBKGLBENUORNP-UHFFFAOYSA-N 0 0 430.917 4.308 50 0 IIAARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000015954928 568859698 /nfs/dbraw/zinc/85/96/98/568859698.db2.gz HIWDCYQWMCCQQA-HRFSGMKKSA-N 0 0 447.531 4.301 50 0 biogenic IIAARN COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 ZINC000012939446 568868692 /nfs/dbraw/zinc/86/86/92/568868692.db2.gz LZQHZSUASDFGIU-UHFFFAOYSA-N 0 0 432.520 4.026 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@@H](C)Nc1ncnc3sc(C)c(C)c31)O[C@H](C)C2 ZINC000012940888 568869851 /nfs/dbraw/zinc/86/98/51/568869851.db2.gz WZIIXMVJUZHXBA-TZMCWYRMSA-N 0 0 440.569 4.147 50 0 IIAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012943392 568870297 /nfs/dbraw/zinc/87/02/97/568870297.db2.gz MUHATEUWLYJCRR-HXUWFJFHSA-N 0 0 438.524 4.460 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(-c4ccsc4)nc3C)CC2)c(F)c1 ZINC000016111564 568870781 /nfs/dbraw/zinc/87/07/81/568870781.db2.gz IOVGIVSWJSWGNB-UHFFFAOYSA-N 0 0 429.542 4.484 50 0 IIAARN Cc1ccc(-c2csc3ncn(CCC(=O)N4CCc5ccccc5C4)c(=O)c23)cc1 ZINC000016201940 568872785 /nfs/dbraw/zinc/87/27/85/568872785.db2.gz JNAOGOSYUAJSAH-UHFFFAOYSA-N 0 0 429.545 4.408 50 0 IIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575618380 568882034 /nfs/dbraw/zinc/88/20/34/568882034.db2.gz BEDRSLBLKIZCAJ-UHFFFAOYSA-N 0 0 439.972 4.402 50 0 IIAARN CCN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009781825 568884244 /nfs/dbraw/zinc/88/42/44/568884244.db2.gz HECOGBWCSWSEGI-WUKNDPDISA-N 0 0 430.552 4.316 50 0 IIAARN CC(C)(C)OC(=O)N1CC[C@@H](CN2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000225385089 568885128 /nfs/dbraw/zinc/88/51/28/568885128.db2.gz ARGICGFFXFBWSL-MAUKXSAKSA-N 0 0 425.367 4.079 50 0 IIAARN Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013101291 568888048 /nfs/dbraw/zinc/88/80/48/568888048.db2.gz PJLYMPLHGHGBAG-VAWYXSNFSA-N 0 0 444.944 4.143 50 0 IIAARN O=C(Nc1nc2c(s1)CN(C(=O)c1nc3ccccc3s1)CC2)c1ccsc1 ZINC000090582877 568888282 /nfs/dbraw/zinc/88/82/82/568888282.db2.gz CTCGAFQFZPQMNI-UHFFFAOYSA-N 0 0 426.548 4.265 50 0 IIAARN O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(F)c(Cl)c1 ZINC000090607153 568889796 /nfs/dbraw/zinc/88/97/96/568889796.db2.gz YMBDKXSNKQVWMM-UHFFFAOYSA-N 0 0 434.924 4.331 50 0 IIAARN Cc1ccnc(Nc2cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)nc(C)n2)c1 ZINC000090608013 568890766 /nfs/dbraw/zinc/89/07/66/568890766.db2.gz MVVKKLHYYGUFQW-UHFFFAOYSA-N 0 0 435.507 4.034 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012977566 568891383 /nfs/dbraw/zinc/89/13/83/568891383.db2.gz SDOLCFSDCYQIFC-CYBMUJFWSA-N 0 0 449.916 4.043 50 0 IIAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000012979845 568892057 /nfs/dbraw/zinc/89/20/57/568892057.db2.gz AYMMXFNIWLXXDK-CYBMUJFWSA-N 0 0 431.359 4.182 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012977568 568891408 /nfs/dbraw/zinc/89/14/08/568891408.db2.gz SDOLCFSDCYQIFC-ZDUSSCGKSA-N 0 0 449.916 4.043 50 0 IIAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012979854 568892063 /nfs/dbraw/zinc/89/20/63/568892063.db2.gz ISTCWZQFWNTGKI-MRVPVSSYSA-N 0 0 444.822 4.250 50 0 IIAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613853 568892425 /nfs/dbraw/zinc/89/24/25/568892425.db2.gz BXWBRECUMUUHSL-GOSISDBHSA-N 0 0 430.353 4.381 50 0 IIAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000035527861 568892922 /nfs/dbraw/zinc/89/29/22/568892922.db2.gz LHMUZWAANNOREI-IBGZPJMESA-N 0 0 429.929 4.405 50 0 IIAARN COc1ccc(CN2CCN(C(=O)/C=C/c3cc(C)n(Cc4ccco4)c3C)CC2)cc1 ZINC000014115410 568892969 /nfs/dbraw/zinc/89/29/69/568892969.db2.gz XXYCKJPKTRJXDV-DHZHZOJOSA-N 0 0 433.552 4.112 50 0 IIAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)c3ccc(Cl)s3)n2C)n1 ZINC000035531761 568893046 /nfs/dbraw/zinc/89/30/46/568893046.db2.gz UYFAGHDWNPNFIG-UHFFFAOYSA-N 0 0 425.992 4.204 50 0 IIAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@H](c1ccccc1)C1CC1 ZINC000012983306 568895269 /nfs/dbraw/zinc/89/52/69/568895269.db2.gz CVGPBROTYFUACW-OAQYLSRUSA-N 0 0 439.606 4.364 50 0 IIAARN CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000040052587 568896357 /nfs/dbraw/zinc/89/63/57/568896357.db2.gz DFIXGMFARYZTLT-HANTZDOSSA-N 0 0 439.462 4.201 50 0 IIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000013017601 568901915 /nfs/dbraw/zinc/90/19/15/568901915.db2.gz BJFMPZAPLCZBPH-QGZVFWFLSA-N 0 0 440.540 4.257 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000013017604 568901919 /nfs/dbraw/zinc/90/19/19/568901919.db2.gz BJFMPZAPLCZBPH-KRWDZBQOSA-N 0 0 440.540 4.257 50 0 IIAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000013020159 568902008 /nfs/dbraw/zinc/90/20/08/568902008.db2.gz LVEWXVIIEYQVGL-GOSISDBHSA-N 0 0 445.537 4.295 50 0 IIAARN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000013022591 568902515 /nfs/dbraw/zinc/90/25/15/568902515.db2.gz QJGMKZNMMYMXPS-KRWDZBQOSA-N 0 0 444.503 4.033 50 0 IIAARN CCOC(=O)c1csc(CN(CCOC)C(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000016457905 568905507 /nfs/dbraw/zinc/90/55/07/568905507.db2.gz AYDMNOCCQWRMHJ-UHFFFAOYSA-N 0 0 432.329 4.307 50 0 IIAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000245327369 568915086 /nfs/dbraw/zinc/91/50/86/568915086.db2.gz OXYHMUFBTGERQS-WXFUMESZSA-N 0 0 444.487 4.232 50 0 IIAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000245328556 568915102 /nfs/dbraw/zinc/91/51/02/568915102.db2.gz UZPHINACJLIIRP-BOLBYERCSA-N 0 0 443.330 4.137 50 0 IIAARN CSCC[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000026754956 568916554 /nfs/dbraw/zinc/91/65/54/568916554.db2.gz PWAAEUMFHVABHI-GOSISDBHSA-N 0 0 432.590 4.120 50 0 IIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1N1CCc2ccccc2C1 ZINC000026802106 568917320 /nfs/dbraw/zinc/91/73/20/568917320.db2.gz SRMHEEVFBRGZIM-IBGZPJMESA-N 0 0 440.547 4.425 50 0 IIAARN CCCCN(Cc1cccn1C)C(=O)CN(CCOC)C(=O)c1cccc2ccccc21 ZINC000035745225 568918124 /nfs/dbraw/zinc/91/81/24/568918124.db2.gz CZFPJVGSUBQJDV-UHFFFAOYSA-N 0 0 435.568 4.096 50 0 IIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)nc3N2)cc1 ZINC000248097359 568918913 /nfs/dbraw/zinc/91/89/13/568918913.db2.gz OCUDQRFWECVJDI-YUMYIRISSA-N 0 0 439.519 4.188 50 0 IIAARN COc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Nc1cccc3ccccc31)CC2 ZINC000016531303 568920501 /nfs/dbraw/zinc/92/05/01/568920501.db2.gz WQSPLXKCQAABAN-UHFFFAOYSA-N 0 0 440.503 4.113 50 0 IIAARN O=C(Nc1cccc(Cl)c1Cl)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000016531348 568920547 /nfs/dbraw/zinc/92/05/47/568920547.db2.gz SKIFEXOEJNHFEC-UHFFFAOYSA-N 0 0 447.297 4.397 50 0 IIAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000089420109 568924318 /nfs/dbraw/zinc/92/43/18/568924318.db2.gz XTHMAVVGGZBGIR-KBXCAEBGSA-N 0 0 441.329 4.365 50 0 IIAARN O=C(Nc1ccc(NC(=O)c2ccc(I)cc2)cc1)c1ccco1 ZINC000000666139 568924649 /nfs/dbraw/zinc/92/46/49/568924649.db2.gz NVJPQMIRXPLDLK-UHFFFAOYSA-N 0 0 432.217 4.389 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000002138658 568924973 /nfs/dbraw/zinc/92/49/73/568924973.db2.gz XHWDMVJCCDHQOJ-RRPZCPEXSA-N 0 0 435.520 4.332 50 0 IIAARN O=C1CN(Cc2ccco2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002148627 568925158 /nfs/dbraw/zinc/92/51/58/568925158.db2.gz PTDDFBWIBIEQFY-ZEQRLZLVSA-N 0 0 439.515 4.231 50 0 biogenic IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000016608741 568925443 /nfs/dbraw/zinc/92/54/43/568925443.db2.gz ULDQDYDKZYTNAJ-RZUBCFFCSA-N 0 0 449.576 4.127 50 0 IIAARN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-n3ccnc3SC)c2)C1 ZINC000089457727 568925612 /nfs/dbraw/zinc/92/56/12/568925612.db2.gz UERGLVUHJZFSEP-QGZVFWFLSA-N 0 0 442.972 4.265 50 0 IIAARN CSCC[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1nnc2ccccn21 ZINC000089493696 568926923 /nfs/dbraw/zinc/92/69/23/568926923.db2.gz JRTYYXJOPAFQQS-JOCHJYFZSA-N 0 0 445.592 4.347 50 0 IIAARN CCCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740412 568926978 /nfs/dbraw/zinc/92/69/78/568926978.db2.gz LKTAAXAVMICVEO-SSKFGXFMSA-N 0 0 430.526 4.167 50 0 biogenic IIAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 ZINC000026934591 568927565 /nfs/dbraw/zinc/92/75/65/568927565.db2.gz SKJYBUXXRLWSAB-UHFFFAOYSA-N 0 0 436.990 4.440 50 0 IIAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000026973584 568929140 /nfs/dbraw/zinc/92/91/40/568929140.db2.gz AYNLMHNZEWKISB-UHFFFAOYSA-N 0 0 428.275 4.208 50 0 IIAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000016653450 568929559 /nfs/dbraw/zinc/92/95/59/568929559.db2.gz AZSIDEOJZHTNQP-UHFFFAOYSA-N 0 0 444.528 4.047 50 0 IIAARN COc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)cc1 ZINC000064565852 568932625 /nfs/dbraw/zinc/93/26/25/568932625.db2.gz MCZPVLRGQVGXQU-UHFFFAOYSA-N 0 0 440.931 4.389 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000064580462 568934483 /nfs/dbraw/zinc/93/44/83/568934483.db2.gz DKSVADTVMIJTAI-UHFFFAOYSA-N 0 0 437.565 4.296 50 0 IIAARN O=c1c2nnc(SCc3cccc(F)c3)n2ccn1-c1ccc(Br)cc1 ZINC000064593852 568936150 /nfs/dbraw/zinc/93/61/50/568936150.db2.gz VMAURSVLQYNRDZ-UHFFFAOYSA-N 0 0 431.290 4.074 50 0 IIAARN O=c1c2nnc(SCc3ccccc3F)n2ccn1-c1ccc(Br)cc1 ZINC000064593851 568936262 /nfs/dbraw/zinc/93/62/62/568936262.db2.gz XWDCSOARPMOUMF-UHFFFAOYSA-N 0 0 431.290 4.074 50 0 IIAARN Cc1c(C(=O)NOCc2ccc(C(F)(F)F)cc2)nnn1-c1cccc2cccnc21 ZINC000089556362 568937302 /nfs/dbraw/zinc/93/73/02/568937302.db2.gz ONFPBECOMSNRHD-UHFFFAOYSA-N 0 0 427.386 4.004 50 0 IIAARN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3sc4ccccc4c3C[S@](C)=O)c2)n1 ZINC000089568366 568937801 /nfs/dbraw/zinc/93/78/01/568937801.db2.gz HRIVIAKBYAWTFY-SSEXGKCCSA-N 0 0 437.546 4.091 50 0 IIAARN CCOCCn1ccc2c(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2c1=O ZINC000016689952 568938545 /nfs/dbraw/zinc/93/85/45/568938545.db2.gz CFVFEXRNKARWRG-UHFFFAOYSA-N 0 0 434.414 4.074 50 0 IIAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(C[C@H]2CCCO2)CO4)cc1OC ZINC000054313639 568938697 /nfs/dbraw/zinc/93/86/97/568938697.db2.gz QORLBVBYILGDBV-QGZVFWFLSA-N 0 0 437.492 4.117 50 0 biogenic IIAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000064604994 568939077 /nfs/dbraw/zinc/93/90/77/568939077.db2.gz DPSCWCBENWFERA-AWEZNQCLSA-N 0 0 438.915 4.284 50 0 IIAARN CC(=O)Oc1cc2ccccc2cc1-c1nc2s/c(=C/C=C/c3ccccc3)c(=O)n2n1 ZINC000027024213 568939291 /nfs/dbraw/zinc/93/92/91/568939291.db2.gz FAZWYASQEKHZPT-QNUVFLEMSA-N 0 0 439.496 4.109 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000064605363 568939666 /nfs/dbraw/zinc/93/96/66/568939666.db2.gz PYJHKNHGBGVBOX-KRWDZBQOSA-N 0 0 448.523 4.022 50 0 IIAARN CC[C@H](C)NC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703824 568944493 /nfs/dbraw/zinc/94/44/93/568944493.db2.gz OSJFUYOEPNMGDF-ZDUSSCGKSA-N 0 0 432.569 4.158 50 0 IIAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)N4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703736 568944531 /nfs/dbraw/zinc/94/45/31/568944531.db2.gz PZJKSPZANDUINL-UHFFFAOYSA-N 0 0 440.617 4.289 50 0 IIAARN CN(CC(=O)N1CCCCC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704424 568944663 /nfs/dbraw/zinc/94/46/63/568944663.db2.gz DEFMZWJLZTXSBM-UHFFFAOYSA-N 0 0 426.590 4.117 50 0 IIAARN COc1cccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc(F)cc2)c1 ZINC000036072483 568946054 /nfs/dbraw/zinc/94/60/54/568946054.db2.gz UNYZEZANNQCUHX-UHFFFAOYSA-N 0 0 425.504 4.411 50 0 IIAARN O=C(NCc1cccnc1)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072449 568946085 /nfs/dbraw/zinc/94/60/85/568946085.db2.gz XGGNJHBKYMDXIE-UHFFFAOYSA-N 0 0 448.473 4.480 50 0 IIAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072437 568946119 /nfs/dbraw/zinc/94/61/19/568946119.db2.gz OIWJTCLJPUHMMT-UHFFFAOYSA-N 0 0 448.473 4.480 50 0 IIAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(OC)cc1OC ZINC000036082582 568946846 /nfs/dbraw/zinc/94/68/46/568946846.db2.gz ZQCNRNWMPVLVKG-SFHVURJKSA-N 0 0 437.540 4.423 50 0 IIAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccccc2)Cc2cccc(F)c2)n1 ZINC000036082873 568947583 /nfs/dbraw/zinc/94/75/83/568947583.db2.gz UFJUFAVXNGAPOF-UHFFFAOYSA-N 0 0 430.483 4.341 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083906 568947601 /nfs/dbraw/zinc/94/76/01/568947601.db2.gz PZRFXOIGWFCNGM-QHCPKHFHSA-N 0 0 438.524 4.213 50 0 IIAARN Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)cc1 ZINC000064748013 568950623 /nfs/dbraw/zinc/95/06/23/568950623.db2.gz CLYOWGIGLZANNH-UHFFFAOYSA-N 0 0 447.926 4.352 50 0 IIAARN Cc1ccc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)c1 ZINC000064754670 568951032 /nfs/dbraw/zinc/95/10/32/568951032.db2.gz YGOOANRVEZJEQL-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1 ZINC000064754613 568951040 /nfs/dbraw/zinc/95/10/40/568951040.db2.gz LZJCDRHNTFXJRV-FQEVSTJZSA-N 0 0 427.504 4.493 50 0 IIAARN COc1ccc(CN(Cc2ccccc2F)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095350 568951329 /nfs/dbraw/zinc/95/13/29/568951329.db2.gz VEWGSNUDYCIUHN-NRFANRHFSA-N 0 0 425.500 4.285 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095749 568951638 /nfs/dbraw/zinc/95/16/38/568951638.db2.gz NETLASIGWPMSRP-IBGZPJMESA-N 0 0 431.916 4.392 50 0 IIAARN Cc1cc(C)cc(Oc2cc(N3CCC(C(=O)NCCc4ccccc4)CC3)ncn2)c1 ZINC000064775291 568954518 /nfs/dbraw/zinc/95/45/18/568954518.db2.gz MQLHKDRZLFHRHO-UHFFFAOYSA-N 0 0 430.552 4.461 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C1CC1 ZINC000036116838 568955760 /nfs/dbraw/zinc/95/57/60/568955760.db2.gz HIKOZAWCXPYFKT-JOCHJYFZSA-N 0 0 426.582 4.387 50 0 IIAARN COc1cccc(-c2csc3ncc(C(=O)NCc4ccccc4Cl)c(=O)n23)c1 ZINC000064787909 568956289 /nfs/dbraw/zinc/95/62/89/568956289.db2.gz SXFNPWPECALSGL-UHFFFAOYSA-N 0 0 425.897 4.015 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(C)c4C)c(=O)n23)c1 ZINC000064788045 568956447 /nfs/dbraw/zinc/95/64/47/568956447.db2.gz SLEMXQOKYOEEQX-UHFFFAOYSA-N 0 0 435.505 4.309 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120533 568957302 /nfs/dbraw/zinc/95/73/02/568957302.db2.gz PIOYCRVBAMAKTN-IBGZPJMESA-N 0 0 430.545 4.041 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)[C@H](C)CC ZINC000036120859 568957619 /nfs/dbraw/zinc/95/76/19/568957619.db2.gz JOFPRKIIJMAYII-OXQOHEQNSA-N 0 0 432.561 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)[C@@H](C)CC ZINC000036120858 568957654 /nfs/dbraw/zinc/95/76/54/568957654.db2.gz JOFPRKIIJMAYII-JXFKEZNVSA-N 0 0 432.561 4.429 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C1CC1 ZINC000036121051 568957697 /nfs/dbraw/zinc/95/76/97/568957697.db2.gz DNIDGPGTKKWZTA-FQEVSTJZSA-N 0 0 444.572 4.429 50 0 IIAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121322 568957816 /nfs/dbraw/zinc/95/78/16/568957816.db2.gz IIYYWEXWGKNYPA-OAQYLSRUSA-N 0 0 444.572 4.287 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O ZINC000036121131 568957818 /nfs/dbraw/zinc/95/78/18/568957818.db2.gz OMUMOAGRRMHIHZ-IIBYNOLFSA-N 0 0 432.561 4.287 50 0 IIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)C(C)C ZINC000036121889 568958034 /nfs/dbraw/zinc/95/80/34/568958034.db2.gz TUUJFVUZWGTXDA-FQEVSTJZSA-N 0 0 428.598 4.454 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC1CC1 ZINC000036122109 568958199 /nfs/dbraw/zinc/95/81/99/568958199.db2.gz VMYQOJNSMPVDTG-HXUWFJFHSA-N 0 0 426.582 4.210 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000064792313 568959180 /nfs/dbraw/zinc/95/91/80/568959180.db2.gz VZWLPKDCEBNMFT-UHFFFAOYSA-N 0 0 429.524 4.074 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)c(C)c1 ZINC000064792484 568959294 /nfs/dbraw/zinc/95/92/94/568959294.db2.gz BRVQWJBVDZVWNP-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NC1CCCCC1 ZINC000064792971 568959546 /nfs/dbraw/zinc/95/95/46/568959546.db2.gz FMOSJCTYQWHBOW-JOCHJYFZSA-N 0 0 448.958 4.226 50 0 IIAARN CC1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccc(Cl)cc3)C=C2c2ccccc2)CC1 ZINC000064793553 568959785 /nfs/dbraw/zinc/95/97/85/568959785.db2.gz KDLBHZADOSHYDU-JOCHJYFZSA-N 0 0 448.958 4.036 50 0 IIAARN COCCn1c(SCc2ccc(F)c(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794325 568959864 /nfs/dbraw/zinc/95/98/64/568959864.db2.gz OZUDCQYWSBXRQR-UHFFFAOYSA-N 0 0 433.509 4.354 50 0 IIAARN COCCn1c(SCc2ccc(F)cc2F)nnc1-c1sc2ncccc2c1N ZINC000064794317 568959950 /nfs/dbraw/zinc/95/99/50/568959950.db2.gz POSVCEHCWLVHHM-UHFFFAOYSA-N 0 0 433.509 4.354 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801045 568960698 /nfs/dbraw/zinc/96/06/98/568960698.db2.gz YAPIZXDTBSJIDN-UHFFFAOYSA-N 0 0 433.512 4.016 50 0 IIAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2cccc(NC[C@@H](O)COC(C)(C)C)c2)n1 ZINC000036145555 568961737 /nfs/dbraw/zinc/96/17/37/568961737.db2.gz SOECHALPZHNDCO-OAQYLSRUSA-N 0 0 442.535 4.449 50 0 IIAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006723197 568962988 /nfs/dbraw/zinc/96/29/88/568962988.db2.gz HTRVRNGWIPAHPS-UHFFFAOYSA-N 0 0 429.536 4.165 50 0 IIAARN Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000064817780 568964872 /nfs/dbraw/zinc/96/48/72/568964872.db2.gz VAYLABOHNLVDJC-UHFFFAOYSA-N 0 0 442.563 4.077 50 0 IIAARN CSc1ccc([C@H]2OC(c3cccc(I)c3)=NN2C(C)=O)cc1 ZINC000064819709 568966863 /nfs/dbraw/zinc/96/68/63/568966863.db2.gz SKJHFNOVACSXIU-QGZVFWFLSA-N 0 0 438.290 4.252 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccccc3F)C2=O)c1 ZINC000036164643 568967973 /nfs/dbraw/zinc/96/79/73/568967973.db2.gz KOKFJQMRLXZOHU-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(F)cc1 ZINC000036165954 568968376 /nfs/dbraw/zinc/96/83/76/568968376.db2.gz FMWUSQGUMRYWBG-QHCPKHFHSA-N 0 0 438.480 4.016 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1cccc(F)c1 ZINC000036166277 568968489 /nfs/dbraw/zinc/96/84/89/568968489.db2.gz TXUJSEVMAMBCLM-DEOSSOPVSA-N 0 0 440.540 4.300 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nn3)n2)cc1 ZINC000064837942 568970139 /nfs/dbraw/zinc/97/01/39/568970139.db2.gz LLYZGAXLSDZNIA-UHFFFAOYSA-N 0 0 448.914 4.182 50 0 IIAARN CC[C@@H](C(=O)Nc1cccc(C)c1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842539 568970862 /nfs/dbraw/zinc/97/08/62/568970862.db2.gz GZJOHSICVNYGTK-IBGZPJMESA-N 0 0 432.480 4.267 50 0 IIAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 ZINC000064866077 568974308 /nfs/dbraw/zinc/97/43/08/568974308.db2.gz LZWWZQNEQUTJCV-UHFFFAOYSA-N 0 0 428.510 4.160 50 0 IIAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000064866306 568974422 /nfs/dbraw/zinc/97/44/22/568974422.db2.gz HEGAAHZVSRYENM-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1c(C)cc(C)cc1C ZINC000064866569 568974690 /nfs/dbraw/zinc/97/46/90/568974690.db2.gz NTOMHFIVTHTTMM-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN CCCCc1ccc(NC(=O)CN2c3ccccc3NC(CC(=O)OCC)=CC2=O)cc1 ZINC000064869446 568976016 /nfs/dbraw/zinc/97/60/16/568976016.db2.gz BJAPIJPWKMBTNP-UHFFFAOYSA-N 0 0 435.524 4.264 50 0 IIAARN COC(=O)CC1=CC(SCC(=O)NCCc2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000064869538 568976218 /nfs/dbraw/zinc/97/62/18/568976218.db2.gz BHKXWYLJXAGIPB-UHFFFAOYSA-N 0 0 443.956 4.335 50 0 IIAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869617 568976355 /nfs/dbraw/zinc/97/63/55/568976355.db2.gz OARMIUHKIAWNGB-CQSZACIVSA-N 0 0 425.510 4.358 50 0 IIAARN CCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1 ZINC000036218536 568977611 /nfs/dbraw/zinc/97/76/11/568977611.db2.gz XHUAMWYGPSSHRL-GOTSBHOMSA-N 0 0 443.503 4.137 50 0 IIAARN CC(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCCC(C)C)cc1 ZINC000036216753 568977737 /nfs/dbraw/zinc/97/77/37/568977737.db2.gz NRXKYPGLONLLKT-DHIUTWEWSA-N 0 0 437.540 4.178 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1C ZINC000064871977 568977912 /nfs/dbraw/zinc/97/79/12/568977912.db2.gz FLCVHDAVJDUQNK-UHFFFAOYSA-N 0 0 444.534 4.171 50 0 IIAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 ZINC000064871968 568977955 /nfs/dbraw/zinc/97/79/55/568977955.db2.gz SEPXMJMDLSDGFS-UHFFFAOYSA-N 0 0 430.551 4.451 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)c1 ZINC000064872859 568978076 /nfs/dbraw/zinc/97/80/76/568978076.db2.gz TWFMABHLQWLFPV-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1OC ZINC000064872829 568978088 /nfs/dbraw/zinc/97/80/88/568978088.db2.gz FRISJTJXVDIRFZ-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246969 568982144 /nfs/dbraw/zinc/98/21/44/568982144.db2.gz RZDBMIRQAIRICO-UHFFFAOYSA-N 0 0 431.897 4.473 50 0 IIAARN CCCN(CCC(=O)NCCOC)c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000006775360 568983555 /nfs/dbraw/zinc/98/35/55/568983555.db2.gz HTUYYZBJGXEJDO-UHFFFAOYSA-N 0 0 426.948 4.319 50 0 IIAARN COc1cc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000064919363 568985211 /nfs/dbraw/zinc/98/52/11/568985211.db2.gz XVVWROGYUIARNQ-UHFFFAOYSA-N 0 0 448.454 4.352 50 0 IIAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064927636 568986713 /nfs/dbraw/zinc/98/67/13/568986713.db2.gz KMSYMDZPXSJYNG-UHFFFAOYSA-N 0 0 434.515 4.350 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928463 568987640 /nfs/dbraw/zinc/98/76/40/568987640.db2.gz UFPWKBLPHMKGBA-AWEZNQCLSA-N 0 0 444.869 4.019 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928444 568987670 /nfs/dbraw/zinc/98/76/70/568987670.db2.gz YRTPGJZSCJATBU-IBGZPJMESA-N 0 0 434.515 4.350 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c(C)c1 ZINC000064928811 568987776 /nfs/dbraw/zinc/98/77/76/568987776.db2.gz YRTCCMJHYNVGRN-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)COc3cccc(C)c3)s2)cc1 ZINC000064930122 568988372 /nfs/dbraw/zinc/98/83/72/568988372.db2.gz VMCBNICJHMJKTG-IBGZPJMESA-N 0 0 436.537 4.150 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930085 568988414 /nfs/dbraw/zinc/98/84/14/568988414.db2.gz MYXPVCUBOBISQZ-LJQANCHMSA-N 0 0 436.537 4.014 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930110 568988456 /nfs/dbraw/zinc/98/84/56/568988456.db2.gz REUIXFDERBNCRM-LJQANCHMSA-N 0 0 436.537 4.475 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930335 568988690 /nfs/dbraw/zinc/98/86/90/568988690.db2.gz RNLNNUAXFGLOBM-INIZCTEOSA-N 0 0 441.488 4.307 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000064930555 568989027 /nfs/dbraw/zinc/98/90/27/568989027.db2.gz ITWIEXVPGGBNHL-QGZVFWFLSA-N 0 0 437.525 4.476 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)c2ccc(C)c(C)c2)nc1 ZINC000064942555 568991987 /nfs/dbraw/zinc/99/19/87/568991987.db2.gz DBJNQRYYHRTMRO-UHFFFAOYSA-N 0 0 430.913 4.446 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681223 568992766 /nfs/dbraw/zinc/99/27/66/568992766.db2.gz PKGLNCCCCXYMSF-UHFFFAOYSA-N 0 0 448.404 4.367 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc(NCc3ccc(F)cc3)nn2)cc1 ZINC000064944982 568993488 /nfs/dbraw/zinc/99/34/88/568993488.db2.gz LYKOBJBMXZUHFC-UHFFFAOYSA-N 0 0 440.500 4.135 50 0 IIAARN CC(C)c1ccc(Cn2c3nn(Cc4ccccc4F)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946512 568993529 /nfs/dbraw/zinc/99/35/29/568993529.db2.gz FKTQRGCVUCAUNA-UHFFFAOYSA-N 0 0 448.523 4.232 50 0 IIAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304027 568994287 /nfs/dbraw/zinc/99/42/87/568994287.db2.gz WAULJOMWHKSQDN-HXUWFJFHSA-N 0 0 445.510 4.471 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1 ZINC000064949216 568994628 /nfs/dbraw/zinc/99/46/28/568994628.db2.gz OKZWICSCVVHVGE-UHFFFAOYSA-N 0 0 449.536 4.308 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccn3)no2)cc1F ZINC000064947446 568995134 /nfs/dbraw/zinc/99/51/34/568995134.db2.gz HDNNATQOFOITTL-UHFFFAOYSA-N 0 0 430.486 4.133 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccn3)no2)cc1 ZINC000064947441 568995244 /nfs/dbraw/zinc/99/52/44/568995244.db2.gz DXNLCBOACHQNKM-UHFFFAOYSA-N 0 0 442.522 4.084 50 0 IIAARN O=c1c2ccccc2c(-c2nc(-c3ccncc3)no2)nn1-c1ccc(Br)cc1 ZINC000064949937 568995346 /nfs/dbraw/zinc/99/53/46/568995346.db2.gz VZWWYWLFTRRGOM-UHFFFAOYSA-N 0 0 446.264 4.260 50 0 IIAARN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC000006802062 568995409 /nfs/dbraw/zinc/99/54/09/568995409.db2.gz UJDHUCZEQRAOKM-FQEVSTJZSA-N 0 0 428.602 4.086 50 0 IIAARN CCCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310908 568996899 /nfs/dbraw/zinc/99/68/99/568996899.db2.gz HGCHCLMSUAYJQC-QHCPKHFHSA-N 0 0 428.621 4.387 50 0 IIAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(F)cc3F)C3CCCC3)CC2)cc1 ZINC000036312050 568997280 /nfs/dbraw/zinc/99/72/80/568997280.db2.gz NKQJUBDPCKNDIS-QHCPKHFHSA-N 0 0 441.522 4.229 50 0 IIAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(F)cc3F)C3CCCC3)CC2)cc1 ZINC000036312051 568997307 /nfs/dbraw/zinc/99/73/07/568997307.db2.gz NKQJUBDPCKNDIS-HSZRJFAPSA-N 0 0 441.522 4.229 50 0 IIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)Cc2ccccc2)c1 ZINC000036314382 568998547 /nfs/dbraw/zinc/99/85/47/568998547.db2.gz ZNQLCRMVSJFUFX-UHFFFAOYSA-N 0 0 445.563 4.468 50 0 IIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccccc2)C(=O)C2CC2)c1 ZINC000036314188 568998951 /nfs/dbraw/zinc/99/89/51/568998951.db2.gz OBUDWQUSQKCRQT-UHFFFAOYSA-N 0 0 431.536 4.425 50 0 IIAARN CCc1ccc(CNC(=O)c2nnn(Cc3nc(-c4cccc(C)c4)oc3C)c2C)cc1 ZINC000064967713 569001382 /nfs/dbraw/zinc/00/13/82/569001382.db2.gz FYOIYQZGULTICM-UHFFFAOYSA-N 0 0 429.524 4.399 50 0 IIAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c1C ZINC000064971747 569076845 /nfs/dbraw/zinc/07/68/45/569076845.db2.gz OHMYTMZFWMVRDJ-UHFFFAOYSA-N 0 0 428.492 4.438 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000064972468 569076943 /nfs/dbraw/zinc/07/69/43/569076943.db2.gz RHESXHKMYSSKNO-DEOSSOPVSA-N 0 0 448.588 4.044 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000064972220 569076954 /nfs/dbraw/zinc/07/69/54/569076954.db2.gz OKTFATKAVWRMEF-HSZRJFAPSA-N 0 0 438.524 4.197 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000064972253 569076971 /nfs/dbraw/zinc/07/69/71/569076971.db2.gz GMKRLNLLTJTZDC-NRFANRHFSA-N 0 0 444.915 4.233 50 0 IIAARN CCn1nc(C)c(CCNC(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)c1C ZINC000064972564 569077069 /nfs/dbraw/zinc/07/70/69/569077069.db2.gz CEXQUUWGMLXHOH-UHFFFAOYSA-N 0 0 447.564 4.354 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc21 ZINC000064977018 569077338 /nfs/dbraw/zinc/07/73/38/569077338.db2.gz IIPHGCXCQGCBCV-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN COc1cccc(-n2cc(C(=O)OCc3ccc4c(c3)OCO4)c3ccccc3c2=O)c1 ZINC000064977200 569077451 /nfs/dbraw/zinc/07/74/51/569077451.db2.gz DHCZLVPBQPIVGV-UHFFFAOYSA-N 0 0 429.428 4.085 50 0 IIAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cc(C)ccc2C)c(C)n3C)cc1 ZINC000064977715 569077605 /nfs/dbraw/zinc/07/76/05/569077605.db2.gz SQQRMIMVEAGJRP-UHFFFAOYSA-N 0 0 444.535 4.205 50 0 IIAARN Cc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(F)cc4)nn3c2=O)c(C)c1 ZINC000064977903 569077673 /nfs/dbraw/zinc/07/76/73/569077673.db2.gz QQKXTGCPATWOAN-UHFFFAOYSA-N 0 0 426.451 4.350 50 0 IIAARN Cc1ccc(C)c(C(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)c1 ZINC000064977880 569077711 /nfs/dbraw/zinc/07/77/11/569077711.db2.gz XWMYSJQFDNNVGZ-UHFFFAOYSA-N 0 0 426.451 4.350 50 0 IIAARN O=C(COc1ccc(Cl)cc1)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000064978241 569077713 /nfs/dbraw/zinc/07/77/13/569077713.db2.gz DCAVGPJMRBZPCB-UHFFFAOYSA-N 0 0 438.886 4.377 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCCC2)c1 ZINC000036344372 569080285 /nfs/dbraw/zinc/08/02/85/569080285.db2.gz JLUZZGWYXWABKH-XMMPIXPASA-N 0 0 435.568 4.484 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000064985265 569081855 /nfs/dbraw/zinc/08/18/55/569081855.db2.gz GDSUAQZNTJNMLJ-HSZRJFAPSA-N 0 0 436.533 4.405 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985371 569082023 /nfs/dbraw/zinc/08/20/23/569082023.db2.gz NXZXKJSXCLKJIC-FQEVSTJZSA-N 0 0 446.887 4.074 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000064985961 569082067 /nfs/dbraw/zinc/08/20/67/569082067.db2.gz NAZOSIOFIBGJNA-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc2c(cc1Oc1cccnc1)Oc1ccccc1NC2=O ZINC000064986617 569082225 /nfs/dbraw/zinc/08/22/25/569082225.db2.gz ZSILGLVNORQACZ-UHFFFAOYSA-N 0 0 439.493 4.262 50 0 IIAARN CC1CCN(c2cc3c(cc2S(=O)(=O)N2CCCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000064986567 569082259 /nfs/dbraw/zinc/08/22/59/569082259.db2.gz 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IIAARN O=C(CSc1nccc(N2CCCCCC2)n1)Nc1ccc(Br)cc1F ZINC000065151242 569111785 /nfs/dbraw/zinc/11/17/85/569111785.db2.gz VQLADRYGZMWOHD-UHFFFAOYSA-N 0 0 439.354 4.489 50 0 IIAARN COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)c(OC)c3)c(-c3ccncc3)n2)cc1 ZINC000065153953 569112228 /nfs/dbraw/zinc/11/22/28/569112228.db2.gz CABDSGLLTQTRPD-UHFFFAOYSA-N 0 0 442.475 4.484 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](COc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000065179265 569113519 /nfs/dbraw/zinc/11/35/19/569113519.db2.gz DAVOKNDYWVAXIR-GOSISDBHSA-N 0 0 426.944 4.092 50 0 IIAARN O=C(c1ccc(OCC2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1)N1CCCC1 ZINC000065179879 569113610 /nfs/dbraw/zinc/11/36/10/569113610.db2.gz WJOMWHRTCITVPB-UHFFFAOYSA-N 0 0 428.479 4.132 50 0 IIAARN O=S(=O)(c1cccn2cnnc12)N(Cc1ccccc1Cl)c1cc(F)cc(F)c1 ZINC000065185226 569114152 /nfs/dbraw/zinc/11/41/52/569114152.db2.gz GQKMQHMLDGCANG-UHFFFAOYSA-N 0 0 434.855 4.056 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178504 569114419 /nfs/dbraw/zinc/11/44/19/569114419.db2.gz GQHRKSYXZJIHCS-FQEVSTJZSA-N 0 0 438.543 4.312 50 0 IIAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000065199332 569115087 /nfs/dbraw/zinc/11/50/87/569115087.db2.gz PSGOQDQEMQGNEN-UHFFFAOYSA-N 0 0 442.928 4.095 50 0 IIAARN Cc1ccc(C(=O)N2CCc3sc(C(=O)NCc4cc(F)cc(F)c4)cc3C2)cc1 ZINC000065201363 569116197 /nfs/dbraw/zinc/11/61/97/569116197.db2.gz AEAXLSMVJFEVBT-UHFFFAOYSA-N 0 0 426.488 4.463 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CC5)cn43)cc2)cc1 ZINC000065209846 569116440 /nfs/dbraw/zinc/11/64/40/569116440.db2.gz QQSDYZQMCWOZCL-UHFFFAOYSA-N 0 0 427.464 4.006 50 0 IIAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000065217438 569117190 /nfs/dbraw/zinc/11/71/90/569117190.db2.gz HAMGDMAKCDXCBM-UHFFFAOYSA-N 0 0 446.985 4.461 50 0 IIAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccc1 ZINC000065227887 569117546 /nfs/dbraw/zinc/11/75/46/569117546.db2.gz UOBICRSLPVMDNP-YLJYHZDGSA-N 0 0 431.540 4.493 50 0 IIAARN C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000036576549 569118492 /nfs/dbraw/zinc/11/84/92/569118492.db2.gz ZTJJVTSVVJQCFI-OAHLLOKOSA-N 0 0 443.459 4.023 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2C1=O ZINC000065241613 569118827 /nfs/dbraw/zinc/11/88/27/569118827.db2.gz IZPXQFXFCRHTFF-UHFFFAOYSA-N 0 0 445.447 4.323 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1 ZINC000065232232 569118848 /nfs/dbraw/zinc/11/88/48/569118848.db2.gz YNNYMKOTEWKCAU-UHFFFAOYSA-N 0 0 425.529 4.028 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2C1=O ZINC000065241602 569118915 /nfs/dbraw/zinc/11/89/15/569118915.db2.gz WRCVQOSELJEJCE-INIZCTEOSA-N 0 0 429.542 4.197 50 0 IIAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)ncn1 ZINC000065244895 569121673 /nfs/dbraw/zinc/12/16/73/569121673.db2.gz IKSIJUXHUJJQQU-OALUTQOASA-N 0 0 425.577 4.181 50 0 IIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c12 ZINC000036616123 569122768 /nfs/dbraw/zinc/12/27/68/569122768.db2.gz BBPHXKUJBLOJRM-UHFFFAOYSA-N 0 0 441.417 4.006 50 0 IIAARN O=C(c1cc(Br)ccc1O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000036611191 569123442 /nfs/dbraw/zinc/12/34/42/569123442.db2.gz IEONPCGNFGTSOD-UHFFFAOYSA-N 0 0 444.156 4.420 50 0 IIAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@H](C)Cn1nc(C)cc1C ZINC000036613507 569123869 /nfs/dbraw/zinc/12/38/69/569123869.db2.gz QFZZPWXHZAORBJ-QGZVFWFLSA-N 0 0 430.556 4.367 50 0 IIAARN CC[C@H](C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1nc(C)c(Cl)c1C ZINC000036614376 569124115 /nfs/dbraw/zinc/12/41/15/569124115.db2.gz MXRVGPNZBGIXKP-OAHLLOKOSA-N 0 0 431.890 4.015 50 0 IIAARN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)c4cnn(C)c4C)c32)cc1 ZINC000036619345 569124695 /nfs/dbraw/zinc/12/46/95/569124695.db2.gz XIIDNRHJGUCDSI-ZDUSSCGKSA-N 0 0 431.496 4.309 50 0 IIAARN COc1cccc(CNC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1 ZINC000065260023 569125047 /nfs/dbraw/zinc/12/50/47/569125047.db2.gz ATRAAJFBZNCGHN-SANMLTNESA-N 0 0 447.583 4.427 50 0 biogenic IIAARN COC(=O)c1cc(NC(=O)CSc2cc(Cl)ccc2Cl)cc(C(=O)OC)c1 ZINC000013134366 569125452 /nfs/dbraw/zinc/12/54/52/569125452.db2.gz ILMPQOLXNXNTCN-UHFFFAOYSA-N 0 0 428.293 4.297 50 0 IIAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)c2cc(Cl)ccc2OC)C3)cc1OC ZINC000065270158 569128047 /nfs/dbraw/zinc/12/80/47/569128047.db2.gz VLLVFQMYTVVFSW-UHFFFAOYSA-N 0 0 441.915 4.275 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)cc1 ZINC000065272123 569129016 /nfs/dbraw/zinc/12/90/16/569129016.db2.gz VJZGYQYIXZHGTM-UHFFFAOYSA-N 0 0 446.536 4.012 50 0 IIAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1cc(F)cc(F)c1 ZINC000065272535 569129090 /nfs/dbraw/zinc/12/90/90/569129090.db2.gz GRKHIPDOELBMNY-UHFFFAOYSA-N 0 0 426.398 4.193 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273131 569129360 /nfs/dbraw/zinc/12/93/60/569129360.db2.gz MITULFKRFBWXIM-INIZCTEOSA-N 0 0 440.565 4.279 50 0 IIAARN COc1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccccc2Br)cc1 ZINC000065296549 569131558 /nfs/dbraw/zinc/13/15/58/569131558.db2.gz JGDZTCURPUQDOQ-UHFFFAOYSA-N 0 0 437.297 4.097 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4cccc(C)c4)CC3)sc12 ZINC000065296956 569131577 /nfs/dbraw/zinc/13/15/77/569131577.db2.gz DNQYWGMRPNIHGF-UHFFFAOYSA-N 0 0 435.528 4.200 50 0 IIAARN O=C(NCc1ccccc1F)c1ccn2c(c1)nnc2-c1ccccc1Br ZINC000065296627 569131607 /nfs/dbraw/zinc/13/16/07/569131607.db2.gz DXTMBPGTXCPWDO-UHFFFAOYSA-N 0 0 425.261 4.228 50 0 IIAARN CCC(CC)C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1 ZINC000065299626 569132133 /nfs/dbraw/zinc/13/21/33/569132133.db2.gz HOGPOLSIJQDOIC-UHFFFAOYSA-N 0 0 429.565 4.451 50 0 IIAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065306176 569133276 /nfs/dbraw/zinc/13/32/76/569133276.db2.gz DVPRXAYBXYVCFC-UHFFFAOYSA-N 0 0 431.924 4.345 50 0 IIAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000065306172 569133288 /nfs/dbraw/zinc/13/32/88/569133288.db2.gz PBWDWSATGFLPMR-UHFFFAOYSA-N 0 0 425.533 4.308 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)sc12 ZINC000065305663 569133338 /nfs/dbraw/zinc/13/33/38/569133338.db2.gz MPXGPVLXEIDJKW-GOSISDBHSA-N 0 0 446.580 4.027 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)c(C)c1 ZINC000065315518 569134136 /nfs/dbraw/zinc/13/41/36/569134136.db2.gz YWPMDDIWNNYNQD-SFHVURJKSA-N 0 0 449.555 4.470 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)NCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700103 569135104 /nfs/dbraw/zinc/13/51/04/569135104.db2.gz MNZYOPXVPUYDNB-OAQYLSRUSA-N 0 0 437.367 4.342 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000065315090 569135667 /nfs/dbraw/zinc/13/56/67/569135667.db2.gz GQIDGWADRPQGCT-UHFFFAOYSA-N 0 0 429.586 4.224 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000065315155 569135816 /nfs/dbraw/zinc/13/58/16/569135816.db2.gz HJZVLHFWTGADPW-UHFFFAOYSA-N 0 0 435.977 4.261 50 0 IIAARN CCOC(=O)c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn32)cc1 ZINC000065322729 569136838 /nfs/dbraw/zinc/13/68/38/569136838.db2.gz YHNFYKDALVGDDF-UHFFFAOYSA-N 0 0 443.507 4.153 50 0 IIAARN CCCNC(=O)Nc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1 ZINC000065330115 569137098 /nfs/dbraw/zinc/13/70/98/569137098.db2.gz SLXIBPVQVZLRQJ-SFHVURJKSA-N 0 0 433.512 4.405 50 0 IIAARN CCOc1cccc(-c2noc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[nH]3)n2)c1 ZINC000065330984 569137105 /nfs/dbraw/zinc/13/71/05/569137105.db2.gz PZVPEXHJFXGEBT-UHFFFAOYSA-N 0 0 436.493 4.187 50 0 IIAARN CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000036883352 569138754 /nfs/dbraw/zinc/13/87/54/569138754.db2.gz UQQVNRNTZQDFSX-UHFFFAOYSA-N 0 0 442.512 4.375 50 0 IIAARN O=c1c2cc(NCCOc3ccc(Cl)cc3Br)ccc2nc2n1CCC2 ZINC000065534622 569139393 /nfs/dbraw/zinc/13/93/93/569139393.db2.gz OCLDVPLTNSKLDR-UHFFFAOYSA-N 0 0 434.721 4.250 50 0 IIAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(Cl)cc4)c(=O)n3n2)cc1 ZINC000065534915 569139482 /nfs/dbraw/zinc/13/94/82/569139482.db2.gz VFCMUHLKVKBGHD-UHFFFAOYSA-N 0 0 444.878 4.256 50 0 IIAARN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)ccc21 ZINC000065621393 569140306 /nfs/dbraw/zinc/14/03/06/569140306.db2.gz UERRPOLQQGQIJS-UHFFFAOYSA-N 0 0 431.448 4.302 50 0 IIAARN Cc1ncsc1COC(=O)c1cc(I)ccc1Br ZINC000170593431 569141286 /nfs/dbraw/zinc/14/12/86/569141286.db2.gz PALBAPAWWUNNNT-UHFFFAOYSA-N 0 0 438.084 4.176 50 0 IIAARN COC(=O)[C@H]1CN(C(=O)c2ccc(SC(F)F)cc2)C[C@@H]1c1ccc(F)cc1F ZINC000170595302 569141577 /nfs/dbraw/zinc/14/15/77/569141577.db2.gz PHRCAFFFFUASAR-CVEARBPZSA-N 0 0 427.419 4.308 50 0 IIAARN Cc1ccc(CC(=O)OCc2nc3cc(Br)cnc3[nH]2)cc1Br ZINC000170603320 569143582 /nfs/dbraw/zinc/14/35/82/569143582.db2.gz MGBFOEKCCBJFNR-UHFFFAOYSA-N 0 0 439.107 4.077 50 0 IIAARN C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606030 569143899 /nfs/dbraw/zinc/14/38/99/569143899.db2.gz UQQWFCSWCNVVSX-KUHUBIRLSA-N 0 0 427.346 4.319 50 0 IIAARN Cc1nnc(CCNc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)n1C ZINC000170610810 569145049 /nfs/dbraw/zinc/14/50/49/569145049.db2.gz JKFYVQSQAUHECU-UHFFFAOYSA-N 0 0 432.219 4.247 50 0 IIAARN O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(Br)cc1 ZINC000207971987 569145699 /nfs/dbraw/zinc/14/56/99/569145699.db2.gz QDEIAXXTXSMPLC-SFHVURJKSA-N 0 0 438.368 4.071 50 0 IIAARN O=C(CSc1ccccc1)NCCc1csc(NC(=O)CSc2ccccc2)n1 ZINC000170615893 569146595 /nfs/dbraw/zinc/14/65/95/569146595.db2.gz YEBPMQWNXYECEE-UHFFFAOYSA-N 0 0 443.619 4.325 50 0 IIAARN CCO[C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000170615154 569146631 /nfs/dbraw/zinc/14/66/31/569146631.db2.gz HFGOJHAFDMKNOF-UXHICEINSA-N 0 0 434.989 4.086 50 0 IIAARN CN(C(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1)c1nccs1 ZINC000170616630 569146686 /nfs/dbraw/zinc/14/66/86/569146686.db2.gz SQLQLMVAHWXUCU-UHFFFAOYSA-N 0 0 439.518 4.396 50 0 IIAARN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000170617764 569146870 /nfs/dbraw/zinc/14/68/70/569146870.db2.gz DAWFHWVIHNYNTK-QGZVFWFLSA-N 0 0 448.485 4.075 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2)C[C@H](C)O1 ZINC000170621684 569147742 /nfs/dbraw/zinc/14/77/42/569147742.db2.gz WXHTZBXZAHLIRN-UEXGIBASSA-N 0 0 446.592 4.163 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2)C[C@@H](C)O1 ZINC000170621686 569147762 /nfs/dbraw/zinc/14/77/62/569147762.db2.gz WXHTZBXZAHLIRN-OPYAIIAOSA-N 0 0 446.592 4.163 50 0 IIAARN O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000170626257 569148662 /nfs/dbraw/zinc/14/86/62/569148662.db2.gz IDHKZHQGLONYHB-KRWDZBQOSA-N 0 0 441.325 4.112 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)Nc3sccc3S(C)(=O)=O)c2oc1-c1ccccc1 ZINC000170631541 569149047 /nfs/dbraw/zinc/14/90/47/569149047.db2.gz SYOXKHAZDGKUNG-UHFFFAOYSA-N 0 0 439.514 4.486 50 0 IIAARN O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)NCC(F)(F)F ZINC000009884225 569150356 /nfs/dbraw/zinc/15/03/56/569150356.db2.gz KYABAACBDNXMAC-UHFFFAOYSA-N 0 0 440.468 4.424 50 0 IIAARN COc1ccc(Cn2nnnc2SCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000009908769 569150594 /nfs/dbraw/zinc/15/05/94/569150594.db2.gz SGHXCESWEMFGPV-UHFFFAOYSA-N 0 0 431.521 4.275 50 0 IIAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(COC)s2)C12CCCCC2 ZINC000071288609 569151045 /nfs/dbraw/zinc/15/10/45/569151045.db2.gz AWCFKMVWHISPBG-KXBFYZLASA-N 0 0 442.585 4.364 50 0 IIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000010025632 569151655 /nfs/dbraw/zinc/15/16/55/569151655.db2.gz NMCNSBYQYJAFKT-UHFFFAOYSA-N 0 0 439.519 4.476 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010119430 569152704 /nfs/dbraw/zinc/15/27/04/569152704.db2.gz MCHDMPOOFONPLL-UHFFFAOYSA-N 0 0 442.924 4.352 50 0 IIAARN CCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1F)C1CC1 ZINC000010217262 569153245 /nfs/dbraw/zinc/15/32/45/569153245.db2.gz WMLJSBFJXSENJY-UHFFFAOYSA-N 0 0 428.323 4.340 50 0 IIAARN O=C(Nc1ccc2scnc2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010217488 569153246 /nfs/dbraw/zinc/15/32/46/569153246.db2.gz WBNXKDUQFMZKIT-UHFFFAOYSA-N 0 0 449.557 4.296 50 0 IIAARN Cc1nc2ccc3nc(NC(=O)CCCS(=O)(=O)c4ccccc4)sc3c2s1 ZINC000010218259 569153518 /nfs/dbraw/zinc/15/35/18/569153518.db2.gz LTSRHKWZUJNNDX-UHFFFAOYSA-N 0 0 431.564 4.407 50 0 IIAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000013301523 569154876 /nfs/dbraw/zinc/15/48/76/569154876.db2.gz PWFHNXZPQJVONB-QHCPKHFHSA-N 0 0 426.516 4.496 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000013295965 569154901 /nfs/dbraw/zinc/15/49/01/569154901.db2.gz WLWOMMNSNPIIBI-QGZVFWFLSA-N 0 0 439.541 4.472 50 0 IIAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013573763 569155765 /nfs/dbraw/zinc/15/57/65/569155765.db2.gz LZWHRTVXQJSWEZ-QHCPKHFHSA-N 0 0 429.497 4.487 50 0 IIAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000013692154 569156720 /nfs/dbraw/zinc/15/67/20/569156720.db2.gz CZQULSRPOXSHGQ-UHFFFAOYSA-N 0 0 425.554 4.200 50 0 IIAARN COc1cccc(-c2nnc3ccc(OCCNC(=O)Nc4ccc(C(C)C)cc4)nn32)c1 ZINC000013706534 569156794 /nfs/dbraw/zinc/15/67/94/569156794.db2.gz APCLVULJNSYTTM-UHFFFAOYSA-N 0 0 446.511 4.124 50 0 IIAARN O=C(CCn1cnc2sccc2c1=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014050884 569157725 /nfs/dbraw/zinc/15/77/25/569157725.db2.gz YKBWYQAQEJCBQD-SFHVURJKSA-N 0 0 448.573 4.339 50 0 IIAARN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014349245 569158660 /nfs/dbraw/zinc/15/86/60/569158660.db2.gz HBNPAWQNEBDVIK-SFHVURJKSA-N 0 0 425.426 4.129 50 0 IIAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000014426291 569159051 /nfs/dbraw/zinc/15/90/51/569159051.db2.gz XUHHUNXJQQWEGJ-SFHVURJKSA-N 0 0 430.570 4.436 50 0 IIAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)n2)cc1 ZINC000014489106 569159114 /nfs/dbraw/zinc/15/91/14/569159114.db2.gz YXKVURAOBNDQKZ-UHFFFAOYSA-N 0 0 447.322 4.010 50 0 IIAARN COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000089677879 569161268 /nfs/dbraw/zinc/16/12/68/569161268.db2.gz HFGYXHASPDBNBG-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1c(F)cc(Br)cc1F ZINC000089780577 569162893 /nfs/dbraw/zinc/16/28/93/569162893.db2.gz MHGJFSHAPQPJRE-UHFFFAOYSA-N 0 0 446.251 4.305 50 0 IIAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000016838758 569162930 /nfs/dbraw/zinc/16/29/30/569162930.db2.gz LXEGRTWXHUOYKG-UHFFFAOYSA-N 0 0 438.530 4.390 50 0 IIAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N(Cc1ccccc1)c1ccccn1 ZINC000089832663 569165275 /nfs/dbraw/zinc/16/52/75/569165275.db2.gz FJPBDLNSLYBICA-UHFFFAOYSA-N 0 0 449.576 4.493 50 0 IIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000016903624 569165743 /nfs/dbraw/zinc/16/57/43/569165743.db2.gz JQBBGSRJZQLQFL-VQTJNVASSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000016903626 569165750 /nfs/dbraw/zinc/16/57/50/569165750.db2.gz JQBBGSRJZQLQFL-UXHICEINSA-N 0 0 435.568 4.207 50 0 IIAARN CC(=O)N(c1nc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cs1)c1cccc(Cl)c1 ZINC000089930513 569167923 /nfs/dbraw/zinc/16/79/23/569167923.db2.gz KPWUQYDPWJNTPK-LEWJYISDSA-N 0 0 447.004 4.456 50 0 IIAARN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cs1)c1cccc(Cl)c1 ZINC000089930516 569168023 /nfs/dbraw/zinc/16/80/23/569168023.db2.gz KPWUQYDPWJNTPK-RTWAWAEBSA-N 0 0 447.004 4.456 50 0 IIAARN CC[C@@H](NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C)c1noc(C)n1 ZINC000089948023 569168524 /nfs/dbraw/zinc/16/85/24/569168524.db2.gz SVWXDEWIPPVKCI-CQSZACIVSA-N 0 0 433.310 4.122 50 0 IIAARN CCCCN(C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089954700 569168759 /nfs/dbraw/zinc/16/87/59/569168759.db2.gz VRNIESDPHRWEOT-LJQANCHMSA-N 0 0 439.597 4.416 50 0 IIAARN Cc1nn(C(C)(C)C)c(OC(=O)CCc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000016976623 569168951 /nfs/dbraw/zinc/16/89/51/569168951.db2.gz QCSMDOQGBKTDSM-UHFFFAOYSA-N 0 0 426.538 4.318 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)n(C)c1 ZINC000089969027 569169446 /nfs/dbraw/zinc/16/94/46/569169446.db2.gz WRUXGWOKMDHWFI-OAQYLSRUSA-N 0 0 445.629 4.073 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)c1 ZINC000037356478 569172177 /nfs/dbraw/zinc/17/21/77/569172177.db2.gz BSPHSIJLRQLPJF-UHFFFAOYSA-N 0 0 438.915 4.202 50 0 IIAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037356579 569172266 /nfs/dbraw/zinc/17/22/66/569172266.db2.gz ORUSRFSSXQZQAZ-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1 ZINC000017200353 569175836 /nfs/dbraw/zinc/17/58/36/569175836.db2.gz UODBTXDBTQTRPU-UHFFFAOYSA-N 0 0 444.538 4.375 50 0 IIAARN COCCNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037358451 569176127 /nfs/dbraw/zinc/17/61/27/569176127.db2.gz QTOKYHNQNJKTAT-UHFFFAOYSA-N 0 0 429.311 4.430 50 0 IIAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000001063249 569176525 /nfs/dbraw/zinc/17/65/25/569176525.db2.gz ADCZCKRDAYNPCN-HNNXBMFYSA-N 0 0 430.526 4.282 50 0 IIAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000001076486 569176676 /nfs/dbraw/zinc/17/66/76/569176676.db2.gz JURKXJNYOPZVKJ-UHFFFAOYSA-N 0 0 441.622 4.346 50 0 IIAARN CCCCCN1CC(=O)N2[C@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104674 569180263 /nfs/dbraw/zinc/18/02/63/569180263.db2.gz BELQXEQPDGOENE-WIOPSUGQSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN c1ccc(-n2c(SCCCc3nc(-c4ccncc4)no3)nnc2N2CCCCC2)cc1 ZINC000014902929 569183117 /nfs/dbraw/zinc/18/31/17/569183117.db2.gz AJSLYXFRJLJUTF-UHFFFAOYSA-N 0 0 447.568 4.428 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252461219 569184609 /nfs/dbraw/zinc/18/46/09/569184609.db2.gz LKIQFTDIFMWUSP-WGSAOQKQSA-N 0 0 428.536 4.043 50 0 IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002147609 569186963 /nfs/dbraw/zinc/18/69/63/569186963.db2.gz MTHQIRFWDQUMGZ-AWEZNQCLSA-N 0 0 441.933 4.307 50 0 biogenic IIAARN CC(C)CCN1CC(=O)N2[C@@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002148322 569187095 /nfs/dbraw/zinc/18/70/95/569187095.db2.gz QACBVJDXXNQGGU-ZEQRLZLVSA-N 0 0 429.564 4.483 50 0 biogenic IIAARN CC[C@@H](C)[C@@H](NC(=O)c1cn(CCOC)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000252493894 569187878 /nfs/dbraw/zinc/18/78/78/569187878.db2.gz NGAWRCOVWGZYQG-OPAMFIHVSA-N 0 0 432.524 4.041 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1 ZINC000037378384 569188632 /nfs/dbraw/zinc/18/86/32/569188632.db2.gz SCRIYMHYFIGGQE-UHFFFAOYSA-N 0 0 430.842 4.163 50 0 IIAARN CC(C)C[C@H](C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C)N1Cc2ccccc2C1=O ZINC000252523294 569189632 /nfs/dbraw/zinc/18/96/32/569189632.db2.gz CGUKTVIHRGGZEK-PKTZIBPZSA-N 0 0 432.568 4.457 50 0 IIAARN CCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1OCC ZINC000002196496 569191319 /nfs/dbraw/zinc/19/13/19/569191319.db2.gz STTANEWOCCCPRQ-DEDYPNTBSA-N 0 0 447.516 4.218 50 0 IIAARN O=C(C1CC1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1 ZINC000037382164 569191925 /nfs/dbraw/zinc/19/19/25/569191925.db2.gz PSTJPJCCVXSBQT-UHFFFAOYSA-N 0 0 426.314 4.480 50 0 IIAARN CCOC(=O)[C@@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F ZINC000002207918 569193826 /nfs/dbraw/zinc/19/38/26/569193826.db2.gz JINVMNMMDXWYRO-GOSISDBHSA-N 0 0 439.415 4.319 50 0 IIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccccc1F ZINC000037399039 569194197 /nfs/dbraw/zinc/19/41/97/569194197.db2.gz NGRMAIPAXWYMNP-UHFFFAOYSA-N 0 0 447.558 4.240 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)C3CCC3)cc2)cc1 ZINC000037400163 569194831 /nfs/dbraw/zinc/19/48/31/569194831.db2.gz WIXPJPSRKPUDHX-UHFFFAOYSA-N 0 0 431.554 4.248 50 0 IIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)NC(C)C ZINC000037400051 569194856 /nfs/dbraw/zinc/19/48/56/569194856.db2.gz PXFIWFKPBKALMT-QGZVFWFLSA-N 0 0 434.558 4.181 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)NC(C)(C)C)cc1 ZINC000037401170 569195121 /nfs/dbraw/zinc/19/51/21/569195121.db2.gz ORAIOLGWLKVWHP-UHFFFAOYSA-N 0 0 448.585 4.429 50 0 IIAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCN(c2ccccc2)CC1 ZINC000007650961 569195994 /nfs/dbraw/zinc/19/59/94/569195994.db2.gz MRLGPCIRVROLGP-UHFFFAOYSA-N 0 0 426.944 4.044 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1 ZINC000037443844 569197125 /nfs/dbraw/zinc/19/71/25/569197125.db2.gz BVODNMFWEZUONI-FXABVQRQSA-N 0 0 430.552 4.146 50 0 IIAARN CC[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000037524190 569198456 /nfs/dbraw/zinc/19/84/56/569198456.db2.gz UOVUFRMXGQFAMR-KRWDZBQOSA-N 0 0 443.975 4.032 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@@H]2C)c1 ZINC000037522783 569198459 /nfs/dbraw/zinc/19/84/59/569198459.db2.gz GKDXODGUADRWOF-SFHVURJKSA-N 0 0 430.504 4.248 50 0 IIAARN O=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2)CC1 ZINC000037524901 569198874 /nfs/dbraw/zinc/19/88/74/569198874.db2.gz SSJZDAZSUNSHHI-UHFFFAOYSA-N 0 0 442.563 4.450 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2Cc2cccc(OC)c2)C1 ZINC000037526338 569199102 /nfs/dbraw/zinc/19/91/02/569199102.db2.gz BEDFUQVWSYWKHP-QGZVFWFLSA-N 0 0 426.538 4.175 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000037555367 569200554 /nfs/dbraw/zinc/20/05/54/569200554.db2.gz HJIBZSDSFVMVJG-UHFFFAOYSA-N 0 0 436.939 4.492 50 0 IIAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000037557219 569200661 /nfs/dbraw/zinc/20/06/61/569200661.db2.gz CXWUBONXPVPRDX-HSZRJFAPSA-N 0 0 432.520 4.273 50 0 IIAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1)N1CCOCC1 ZINC000037557188 569200688 /nfs/dbraw/zinc/20/06/88/569200688.db2.gz HPAKXDIXWGCPGD-UHFFFAOYSA-N 0 0 432.495 4.074 50 0 IIAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559076 569200815 /nfs/dbraw/zinc/20/08/15/569200815.db2.gz YRRDGHFTHIYESR-UHFFFAOYSA-N 0 0 434.515 4.316 50 0 IIAARN COc1ccccc1Oc1cc(N2CCN(C(=O)/C=C/c3ccccc3)[C@H](C)C2)ncn1 ZINC000037623481 569203291 /nfs/dbraw/zinc/20/32/91/569203291.db2.gz BKRIYGWUSGTNGJ-JXOMPUQVSA-N 0 0 430.508 4.028 50 0 IIAARN COc1ccc(Oc2cc(N3CCN(C(=O)/C=C/c4ccccc4)[C@@H](C)C3)ncn2)cc1 ZINC000037623549 569203331 /nfs/dbraw/zinc/20/33/31/569203331.db2.gz JVXRBPLIOOIKDW-CWRQFWGNSA-N 0 0 430.508 4.028 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529302 569204179 /nfs/dbraw/zinc/20/41/79/569204179.db2.gz KWVQAKUXHIUMNS-ZPFYTHJMSA-N 0 0 447.624 4.451 50 0 IIAARN COc1ccc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@@H]32)cc1OC ZINC000066091480 569205760 /nfs/dbraw/zinc/20/57/60/569205760.db2.gz AIIREGOPUPQXRK-LEWJYISDSA-N 0 0 445.523 4.429 50 0 IIAARN CC(C)N(C(=O)Cn1cc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc21)C(C)C ZINC000009118615 569215008 /nfs/dbraw/zinc/21/50/08/569215008.db2.gz MVNIGXFTFPYGLC-RTBURBONSA-N 0 0 445.629 4.015 50 0 IIAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002262015 569215987 /nfs/dbraw/zinc/21/59/87/569215987.db2.gz YIHGDJFABIVMHF-UHFFFAOYSA-N 0 0 428.517 4.242 50 0 IIAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)cc1 ZINC000002265420 569216189 /nfs/dbraw/zinc/21/61/89/569216189.db2.gz GIYRVOUKPVOGOO-UHFFFAOYSA-N 0 0 438.340 4.095 50 0 IIAARN COc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)cc1OC ZINC000027527546 569263367 /nfs/dbraw/zinc/26/33/67/569263367.db2.gz WZAMHEGFWGXDIL-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cccc2[nH]ccc21 ZINC000253411545 569265727 /nfs/dbraw/zinc/26/57/27/569265727.db2.gz OTSFUTBRGMLWLP-XMMPIXPASA-N 0 0 436.471 4.312 50 0 biogenic IIAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2C)C[C@H]1c1ccco1 ZINC000253425069 569267081 /nfs/dbraw/zinc/26/70/81/569267081.db2.gz APNYGEWWKHZOEB-FQEVSTJZSA-N 0 0 437.521 4.477 50 0 IIAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002291338 569267997 /nfs/dbraw/zinc/26/79/97/569267997.db2.gz SRRMVHWCKGXVFJ-UHFFFAOYSA-N 0 0 441.422 4.276 50 0 IIAARN COc1ccccc1CNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002291734 569268039 /nfs/dbraw/zinc/26/80/39/569268039.db2.gz SIXMKAWRBRDBRN-UHFFFAOYSA-N 0 0 437.503 4.403 50 0 IIAARN CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000002300534 569271370 /nfs/dbraw/zinc/27/13/70/569271370.db2.gz PVIAYCWZBIBVPJ-GOSISDBHSA-N 0 0 448.800 4.460 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)C[C@@H](C(C)C)OC4)c1 ZINC000002354841 569285843 /nfs/dbraw/zinc/28/58/43/569285843.db2.gz ZCAKPABAHAWUGL-HNNXBMFYSA-N 0 0 444.582 4.110 50 0 IIAARN Cc1cccnc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027652175 569288605 /nfs/dbraw/zinc/28/86/05/569288605.db2.gz GIWSGWBUNNZKEY-UHFFFAOYSA-N 0 0 437.565 4.418 50 0 IIAARN COc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000002369124 569288804 /nfs/dbraw/zinc/28/88/04/569288804.db2.gz NAWSYXCLMHJHEC-UHFFFAOYSA-N 0 0 438.432 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CC1(C)CC(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC000008926481 569292428 /nfs/dbraw/zinc/29/24/28/569292428.db2.gz VEIUFOGBXIUEAX-HDJSHQJTSA-N 0 0 432.564 4.020 50 0 IIAARN COc1ccc(-c2c(C(=O)NCc3ccccc3)noc2C(=O)NCc2ccccc2)cc1 ZINC000027755303 569296732 /nfs/dbraw/zinc/29/67/32/569296732.db2.gz MLPZLGUTZUZDLZ-UHFFFAOYSA-N 0 0 441.487 4.210 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1F ZINC000002392076 569297862 /nfs/dbraw/zinc/29/78/62/569297862.db2.gz OVFNGBCRKUZZHX-UHFFFAOYSA-N 0 0 426.304 4.144 50 0 IIAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002415901 569301347 /nfs/dbraw/zinc/30/13/47/569301347.db2.gz FVSVEGNREWTEOL-QRWLVFNGSA-N 0 0 425.481 4.378 50 0 IIAARN COc1cc(-c2nn3c(nnc3-c3ccc(Br)cc3)s2)cc(OC)c1OC ZINC000011279754 569301946 /nfs/dbraw/zinc/30/19/46/569301946.db2.gz AYTQTKPHJLLAAC-UHFFFAOYSA-N 0 0 447.314 4.308 50 0 IIAARN COc1ccc(-n2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002421192 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CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000095460959 569369773 /nfs/dbraw/zinc/36/97/73/569369773.db2.gz KVDIGZDQEHABEA-ZQHDKMAOSA-N 0 0 429.590 4.072 50 0 IIAARN CCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc([C@H](C)O)c(C)n3)cc2)cc1 ZINC000095462060 569370014 /nfs/dbraw/zinc/37/00/14/569370014.db2.gz TZGQFTKRPMSZLZ-KRWDZBQOSA-N 0 0 442.537 4.113 50 0 IIAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095476048 569372879 /nfs/dbraw/zinc/37/28/79/569372879.db2.gz CYAYEADXUPIMPV-OAHLLOKOSA-N 0 0 431.897 4.381 50 0 IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1O ZINC000095475979 569372916 /nfs/dbraw/zinc/37/29/16/569372916.db2.gz PCKIXFWSKBWUIB-INIZCTEOSA-N 0 0 448.443 4.317 50 0 IIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCN(CCc2ccncc2)CC1 ZINC000095478198 569373456 /nfs/dbraw/zinc/37/34/56/569373456.db2.gz IRCPWBCJDUBYBM-QHCPKHFHSA-N 0 0 436.987 4.097 50 0 IIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCN(CCc2ccncc2)CC1 ZINC000095478197 569373463 /nfs/dbraw/zinc/37/34/63/569373463.db2.gz IRCPWBCJDUBYBM-HSZRJFAPSA-N 0 0 436.987 4.097 50 0 IIAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000095480325 569373915 /nfs/dbraw/zinc/37/39/15/569373915.db2.gz DMIPYGQKVWKWEQ-UHFFFAOYSA-N 0 0 439.943 4.100 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2ccc(Cl)c(C)c2)S1 ZINC000020896172 569375109 /nfs/dbraw/zinc/37/51/09/569375109.db2.gz UNDMVBPZWXMXAV-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN COC(=O)c1cccc(CS(=O)(=O)Nc2c(C)cc(Br)cc2Cl)c1 ZINC000095944136 569375678 /nfs/dbraw/zinc/37/56/78/569375678.db2.gz IKVHFLWNNBHJNY-UHFFFAOYSA-N 0 0 432.723 4.139 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945522 569375951 /nfs/dbraw/zinc/37/59/51/569375951.db2.gz BDDSUUAQPGFJEN-QFIPXVFZSA-N 0 0 440.496 4.383 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000095947006 569376166 /nfs/dbraw/zinc/37/61/66/569376166.db2.gz OAEHQDDOFMBHBT-HZPDHXFCSA-N 0 0 447.388 4.057 50 0 IIAARN CCOc1cc(C(=O)N2CCC(Oc3cccc(C)n3)CC2)ccc1OCc1cccnc1 ZINC000095992857 569378322 /nfs/dbraw/zinc/37/83/22/569378322.db2.gz YVISEVGLJKPLBT-UHFFFAOYSA-N 0 0 447.535 4.446 50 0 IIAARN CCc1cc(NC(=O)[C@H](C)OCC2CC2)c2cc(NC(=O)[C@H](C)OCC3CC3)ccc2n1 ZINC000095997605 569378919 /nfs/dbraw/zinc/37/89/19/569378919.db2.gz MAGUFTHQZGKGTF-HOTGVXAUSA-N 0 0 439.556 4.304 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)cc1OC ZINC000096099891 569381780 /nfs/dbraw/zinc/38/17/80/569381780.db2.gz JTZOBJCFSIVDMU-GQCTYLIASA-N 0 0 441.578 4.251 50 0 IIAARN COc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(OC)c1 ZINC000096102981 569381901 /nfs/dbraw/zinc/38/19/01/569381901.db2.gz LFYKEOTZCCOPMZ-UHFFFAOYSA-N 0 0 431.452 4.384 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 ZINC000096114317 569382648 /nfs/dbraw/zinc/38/26/48/569382648.db2.gz DIPKETFSIRQTSN-NFBKMPQASA-N 0 0 427.412 4.053 50 0 biogenic IIAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccc(C)cc2)cc(=O)c1O ZINC000096114793 569383070 /nfs/dbraw/zinc/38/30/70/569383070.db2.gz IVLLUKDRYHFUBQ-LJQANCHMSA-N 0 0 426.490 4.347 50 0 biogenic IIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)ccc1O ZINC000096116091 569383635 /nfs/dbraw/zinc/38/36/35/569383635.db2.gz CBXOMWIZTAESBB-NFBKMPQASA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1cc(/C=C/C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc(OC)c1OC ZINC000096119589 569384706 /nfs/dbraw/zinc/38/47/06/569384706.db2.gz BVSIGFOVFQFVJB-DHZHZOJOSA-N 0 0 435.480 4.216 50 0 IIAARN CCCCN(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(F)c1 ZINC000096203370 569386375 /nfs/dbraw/zinc/38/63/75/569386375.db2.gz MRQWDVKOIAOQGG-UHFFFAOYSA-N 0 0 427.476 4.378 50 0 IIAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1cccc2cccnc21 ZINC000096232314 569387747 /nfs/dbraw/zinc/38/77/47/569387747.db2.gz KDNNDZDSQBERAJ-OAHLLOKOSA-N 0 0 441.409 4.367 50 0 IIAARN CCn1c(C(=O)NC[C@@]2(C)CCCO2)cc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000096275571 569388238 /nfs/dbraw/zinc/38/82/38/569388238.db2.gz UCOHPKKSCLDGRQ-RUZDIDTESA-N 0 0 435.524 4.221 50 0 IIAARN CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096278728 569389245 /nfs/dbraw/zinc/38/92/45/569389245.db2.gz PDMVLAVHQFXSBM-LJQANCHMSA-N 0 0 429.860 4.011 50 0 IIAARN CC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000096279562 569389427 /nfs/dbraw/zinc/38/94/27/569389427.db2.gz BFRUQYMOEHFIHL-HXUWFJFHSA-N 0 0 430.911 4.207 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)NC(C)(C)C)cc2)cc1 ZINC000096289276 569390687 /nfs/dbraw/zinc/39/06/87/569390687.db2.gz ZBIDYOCNZZFMSU-UHFFFAOYSA-N 0 0 446.569 4.183 50 0 IIAARN COCCn1c(SCc2ccc(C(=O)NC3CC3)cc2)nnc1-c1ccccc1Cl ZINC000096290704 569390973 /nfs/dbraw/zinc/39/09/73/569390973.db2.gz PDVIFBASPGRFFM-UHFFFAOYSA-N 0 0 442.972 4.429 50 0 IIAARN CCCCN1c2ccc(NC(=O)C3CCC3)cc2S(=O)(=O)N=C1c1ccc(OC)cc1 ZINC000096293449 569391501 /nfs/dbraw/zinc/39/15/01/569391501.db2.gz PPYGFGQWYCFJFG-UHFFFAOYSA-N 0 0 441.553 4.189 50 0 IIAARN CCCCN1c2ccc(NC(=O)c3ccc(OC)cc3)cc2S(=O)(=O)N=C1CCC ZINC000096293450 569391555 /nfs/dbraw/zinc/39/15/55/569391555.db2.gz XBLJOWGUKWKJCN-UHFFFAOYSA-N 0 0 429.542 4.455 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096309474 569392316 /nfs/dbraw/zinc/39/23/16/569392316.db2.gz OBQPMKVMGMCZTG-HNNXBMFYSA-N 0 0 430.434 4.281 50 0 IIAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096316997 569392996 /nfs/dbraw/zinc/39/29/96/569392996.db2.gz WSTLDXVOQXKHRD-UHFFFAOYSA-N 0 0 427.568 4.132 50 0 IIAARN CCCS(=O)(=O)N1CCN(c2nc([C@H](C)CC)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317311 569393314 /nfs/dbraw/zinc/39/33/14/569393314.db2.gz RBGFJDWVMJLDJL-LJQANCHMSA-N 0 0 444.645 4.060 50 0 IIAARN CCc1nc(CN(Cc2ccco2)C(=O)NC(C)C)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000096318059 569393687 /nfs/dbraw/zinc/39/36/87/569393687.db2.gz IXCVCIGNUZGOKO-UHFFFAOYSA-N 0 0 442.947 4.290 50 0 IIAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(F)cc2F)C4)cc1 ZINC000096323763 569395506 /nfs/dbraw/zinc/39/55/06/569395506.db2.gz GZXRRECKYDATPO-UHFFFAOYSA-N 0 0 441.463 4.335 50 0 IIAARN CCc1ccc(NC(=O)CN2CCc3[nH]c4c(OC)ccc(Cl)c4c(=O)c3C2)cc1 ZINC000096326895 569396321 /nfs/dbraw/zinc/39/63/21/569396321.db2.gz UXUQZLHVNVTTGE-UHFFFAOYSA-N 0 0 425.916 4.162 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccc(F)c2)C12CCCCC2 ZINC000096344386 569397052 /nfs/dbraw/zinc/39/70/52/569397052.db2.gz CVALPXNQTWFQHB-QHCPKHFHSA-N 0 0 438.543 4.073 50 0 IIAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCSCC3)c2)cc1F ZINC000096386645 569398671 /nfs/dbraw/zinc/39/86/71/569398671.db2.gz YFDBZAMNSWTPLF-UHFFFAOYSA-N 0 0 439.516 4.489 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000096396472 569399080 /nfs/dbraw/zinc/39/90/80/569399080.db2.gz QQUQNECHKZYTCO-UHFFFAOYSA-N 0 0 434.423 4.129 50 0 IIAARN CCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1 ZINC000096397051 569399357 /nfs/dbraw/zinc/39/93/57/569399357.db2.gz VWKBRJQXQXTIPT-UHFFFAOYSA-N 0 0 426.517 4.029 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(F)c3)sc2c1 ZINC000096399561 569400128 /nfs/dbraw/zinc/40/01/28/569400128.db2.gz JOUJIYCLBAJVKH-UHFFFAOYSA-N 0 0 439.559 4.236 50 0 IIAARN C[C@@H](OC(=O)/C=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000096405039 569400658 /nfs/dbraw/zinc/40/06/58/569400658.db2.gz DGZIUGAXAPXIGL-KGHNQEBZSA-N 0 0 439.798 4.254 50 0 IIAARN O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097078095 569403121 /nfs/dbraw/zinc/40/31/21/569403121.db2.gz DOGBBNWPBGQHRM-KRWDZBQOSA-N 0 0 442.928 4.122 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000002459748 569403527 /nfs/dbraw/zinc/40/35/27/569403527.db2.gz SNEFAZOKYRLCMB-JXFKEZNVSA-N 0 0 432.586 4.470 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1cccc(Cl)c1 ZINC000002459518 569403529 /nfs/dbraw/zinc/40/35/29/569403529.db2.gz ICCDRDNDYIDZOQ-UHFFFAOYSA-N 0 0 447.944 4.404 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468431 569403912 /nfs/dbraw/zinc/40/39/12/569403912.db2.gz CCSOWFIYJHHUPB-DQEYMECFSA-N 0 0 448.563 4.380 50 0 IIAARN O=C(CSC1CCCC1)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561036 569404512 /nfs/dbraw/zinc/40/45/12/569404512.db2.gz HXPOQGZUYWSISC-UHFFFAOYSA-N 0 0 430.549 4.183 50 0 IIAARN CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002487022 569405073 /nfs/dbraw/zinc/40/50/73/569405073.db2.gz WBDPLQHBFVILOO-HXUWFJFHSA-N 0 0 432.542 4.087 50 0 IIAARN C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3ccccc3Br)CCCC2)s1 ZINC000225684283 569406976 /nfs/dbraw/zinc/40/69/76/569406976.db2.gz JQWIRNGJQSBUMH-ZDUSSCGKSA-N 0 0 444.416 4.354 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)cc1 ZINC000002522395 569407476 /nfs/dbraw/zinc/40/74/76/569407476.db2.gz FBJIFFACDJFAJW-UHFFFAOYSA-N 0 0 447.520 4.191 50 0 IIAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cccnc3-c3cccs3)n(C)n2)c1 ZINC000225760101 569408220 /nfs/dbraw/zinc/40/82/20/569408220.db2.gz QTZGUNREDMNLFR-UHFFFAOYSA-N 0 0 434.521 4.158 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000002549568 569408917 /nfs/dbraw/zinc/40/89/17/569408917.db2.gz YSJJZSXKHGULOR-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN Cc1nn(Cc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)cc2)c(C)c1Cl ZINC000028229784 569409262 /nfs/dbraw/zinc/40/92/62/569409262.db2.gz GVUWDQODFYLHFK-UHFFFAOYSA-N 0 0 440.950 4.299 50 0 IIAARN CCCOc1ccc(CN(C(=O)c2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000028293824 569409539 /nfs/dbraw/zinc/40/95/39/569409539.db2.gz LJHQAHLKLPAVMK-OAQYLSRUSA-N 0 0 437.561 4.458 50 0 IIAARN Nc1nc(Cl)cc(SCc2ccc(CSc3cc(Cl)nc(N)n3)cc2)n1 ZINC000002576498 569409889 /nfs/dbraw/zinc/40/98/89/569409889.db2.gz SZVDIYXXECEMOT-UHFFFAOYSA-N 0 0 425.370 4.322 50 0 IIAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002625733 569411629 /nfs/dbraw/zinc/41/16/29/569411629.db2.gz WLJSDRJZZOOMDG-UHFFFAOYSA-N 0 0 433.512 4.219 50 0 IIAARN Cc1ccc2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)cc(=O)n2c1 ZINC000002628243 569411995 /nfs/dbraw/zinc/41/19/95/569411995.db2.gz WUXABMRCMUYEND-UHFFFAOYSA-N 0 0 440.532 4.246 50 0 IIAARN COc1ccccc1CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000002631127 569412345 /nfs/dbraw/zinc/41/23/45/569412345.db2.gz ICPIHEXZTGVPJC-QGZVFWFLSA-N 0 0 441.380 4.170 50 0 IIAARN COc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000002633634 569412699 /nfs/dbraw/zinc/41/26/99/569412699.db2.gz MVRBDKUQDFPXNM-UHFFFAOYSA-N 0 0 427.353 4.033 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000002639781 569413408 /nfs/dbraw/zinc/41/34/08/569413408.db2.gz VVXBPSOKHBPPQR-CJNGLKHVSA-N 0 0 433.401 4.089 50 0 IIAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000002646818 569414301 /nfs/dbraw/zinc/41/43/01/569414301.db2.gz LSQAENKFMOWRJB-UHFFFAOYSA-N 0 0 432.904 4.309 50 0 IIAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000002647951 569414447 /nfs/dbraw/zinc/41/44/47/569414447.db2.gz GKLOPTZKLQMEDP-UHFFFAOYSA-N 0 0 429.929 4.294 50 0 IIAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3ccccc3n2)cc1 ZINC000028623603 569415382 /nfs/dbraw/zinc/41/53/82/569415382.db2.gz BUYDEBAOQBDGQN-UHFFFAOYSA-N 0 0 438.531 4.263 50 0 IIAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000002657594 569415605 /nfs/dbraw/zinc/41/56/05/569415605.db2.gz KRQWIEWQARRFAV-UHFFFAOYSA-N 0 0 447.000 4.219 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(F)cc2)no1 ZINC000002720871 569418191 /nfs/dbraw/zinc/41/81/91/569418191.db2.gz CRQXLXFMKLGTIQ-UHFFFAOYSA-N 0 0 449.467 4.033 50 0 IIAARN CCCNC(=O)c1c(NC(=O)c2ccc(COc3cc(C)c(Cl)c(C)c3)o2)cnn1C ZINC000002729770 569418736 /nfs/dbraw/zinc/41/87/36/569418736.db2.gz HWOVWNJAOLBSMZ-UHFFFAOYSA-N 0 0 444.919 4.254 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000230042383 569418932 /nfs/dbraw/zinc/41/89/32/569418932.db2.gz MZONRPRPYPAYIM-IPMKNSEASA-N 0 0 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569424165 /nfs/dbraw/zinc/42/41/65/569424165.db2.gz OEFYWQVSTDCLCY-OAHLLOKOSA-N 0 0 428.435 4.315 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000002887081 569424179 /nfs/dbraw/zinc/42/41/79/569424179.db2.gz PBUJVPPPJVBYBG-QRBZPYHOSA-N 0 0 438.376 4.265 50 0 IIAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3cc(Cl)ccc3OC)c2c1C ZINC000002912224 569425013 /nfs/dbraw/zinc/42/50/13/569425013.db2.gz SXLUQSBOEBNNGK-UHFFFAOYSA-N 0 0 449.916 4.298 50 0 IIAARN CCN(CC)c1ncnc2sc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)c21 ZINC000002925862 569425643 /nfs/dbraw/zinc/42/56/43/569425643.db2.gz RZFKMWNVNYYMBZ-UHFFFAOYSA-N 0 0 430.530 4.124 50 0 IIAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccsc2c1=O ZINC000002932309 569426130 /nfs/dbraw/zinc/42/61/30/569426130.db2.gz VATGXYNPBXEUCI-GFCCVEGCSA-N 0 0 433.555 4.177 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000002938316 569426342 /nfs/dbraw/zinc/42/63/42/569426342.db2.gz GIKVSAYRFIEWPS-BBGBUTGUSA-N 0 0 434.646 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IIAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc12 ZINC000003400066 569449564 /nfs/dbraw/zinc/44/95/64/569449564.db2.gz SMZGNGJIMFNQQU-UHFFFAOYSA-N 0 0 425.535 4.110 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)NCc3nc(-c4cccs4)no3)c2C(F)(F)F)cc1 ZINC000058172907 569449652 /nfs/dbraw/zinc/44/96/52/569449652.db2.gz NZGGVCXOFZOGDH-UHFFFAOYSA-N 0 0 433.415 4.241 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000003406975 569449939 /nfs/dbraw/zinc/44/99/39/569449939.db2.gz DOPCKNYAUYQTTF-UHFFFAOYSA-N 0 0 433.331 4.364 50 0 IIAARN Cc1ccc(NC(=O)/C=C/c2cccnc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000030874020 569450122 /nfs/dbraw/zinc/45/01/22/569450122.db2.gz ZGYACXMMJDWEPK-CSKARUKUSA-N 0 0 427.913 4.496 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000003416652 569450238 /nfs/dbraw/zinc/45/02/38/569450238.db2.gz VXDALNWVEPXZFJ-UHFFFAOYSA-N 0 0 444.318 4.293 50 0 IIAARN CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2ccc(C)cc2s1 ZINC000003422461 569450461 /nfs/dbraw/zinc/45/04/61/569450461.db2.gz NHUCZWLUCZZIFT-UHFFFAOYSA-N 0 0 431.583 4.302 50 0 IIAARN O=C(OCc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003425596 569450516 /nfs/dbraw/zinc/45/05/16/569450516.db2.gz CNNCUYUAFPNSHR-UHFFFAOYSA-N 0 0 430.551 4.218 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@@H](CCSC)NC(=O)c3ccccc3)n2)cc1 ZINC000003428809 569450696 /nfs/dbraw/zinc/45/06/96/569450696.db2.gz HTHQJUOIKLDGNF-GOSISDBHSA-N 0 0 441.578 4.309 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)CCC4)c2)cc1 ZINC000003433519 569450936 /nfs/dbraw/zinc/45/09/36/569450936.db2.gz QHATYBOJHXJCGY-UHFFFAOYSA-N 0 0 437.517 4.228 50 0 IIAARN O=C(CCNC(=O)c1ccco1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003433450 569450948 /nfs/dbraw/zinc/45/09/48/569450948.db2.gz VSDINJIQEMUFQG-UHFFFAOYSA-N 0 0 445.397 4.309 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(Cl)cn1 ZINC000003443002 569451260 /nfs/dbraw/zinc/45/12/60/569451260.db2.gz DXXFTTPXJBZELC-UHFFFAOYSA-N 0 0 436.924 4.224 50 0 IIAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000003447956 569451436 /nfs/dbraw/zinc/45/14/36/569451436.db2.gz DIYODLVDMHQROL-LMKMVOKYSA-N 0 0 435.451 4.295 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NC1CCCCCC1 ZINC000003464391 569451936 /nfs/dbraw/zinc/45/19/36/569451936.db2.gz RKIGSMPTDTZYGD-UHFFFAOYSA-N 0 0 425.529 4.456 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003481181 569452366 /nfs/dbraw/zinc/45/23/66/569452366.db2.gz AUPXPQBUYIOAGI-UHFFFAOYSA-N 0 0 437.359 4.266 50 0 IIAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1SC(F)F ZINC000031037569 569452708 /nfs/dbraw/zinc/45/27/08/569452708.db2.gz OHWHTFBYNKUJMS-UHFFFAOYSA-N 0 0 425.526 4.232 50 0 IIAARN C[C@]1(c2ccc(Br)cc2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O ZINC000031079174 569453282 /nfs/dbraw/zinc/45/32/82/569453282.db2.gz ZAKNMSHZFIKADC-HXUWFJFHSA-N 0 0 426.270 4.071 50 0 IIAARN C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@@H](C)C3)C(N)=O ZINC000003550535 569453857 /nfs/dbraw/zinc/45/38/57/569453857.db2.gz NOXIGJGDIWDDJN-MNOVXSKESA-N 0 0 433.986 4.191 50 0 IIAARN COc1ccccc1CNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21 ZINC000003585268 569454450 /nfs/dbraw/zinc/45/44/50/569454450.db2.gz XGFDNURUINQNCO-OEAKJJBVSA-N 0 0 448.906 4.432 50 0 IIAARN O=C(Nc1ccccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003618635 569455082 /nfs/dbraw/zinc/45/50/82/569455082.db2.gz RYCMLVYTSAFARZ-UHFFFAOYSA-N 0 0 447.560 4.291 50 0 IIAARN Cc1ccc(-c2nc(NC(=O)CSc3nnc4ccc5ccccc5n43)ns2)cc1 ZINC000003655250 569455746 /nfs/dbraw/zinc/45/57/46/569455746.db2.gz LIPCSJZGERXXML-UHFFFAOYSA-N 0 0 432.534 4.440 50 0 IIAARN CCOc1ccccc1-c1noc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000031419255 569456366 /nfs/dbraw/zinc/45/63/66/569456366.db2.gz WGUJWYNNARCJPF-UHFFFAOYSA-N 0 0 427.570 4.454 50 0 IIAARN CC(=O)N(c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1)c1ccccc1F ZINC000031786637 569457442 /nfs/dbraw/zinc/45/74/42/569457442.db2.gz MJTHTAWSSNQNJT-UHFFFAOYSA-N 0 0 428.876 4.378 50 0 IIAARN COc1ccc(-c2csc3nc(SCC(=O)Nc4nccs4)nc(N)c23)cc1 ZINC000031813204 569457869 /nfs/dbraw/zinc/45/78/69/569457869.db2.gz JZODHZCJMDVMRE-UHFFFAOYSA-N 0 0 429.552 4.136 50 0 IIAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000004026654 569458251 /nfs/dbraw/zinc/45/82/51/569458251.db2.gz YEHJSCLXMKVPNE-SUUHJWNJSA-N 0 0 434.642 4.321 50 0 biogenic IIAARN Cc1cc(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004046322 569458417 /nfs/dbraw/zinc/45/84/17/569458417.db2.gz NGOJCZPABDOTCU-KRWDZBQOSA-N 0 0 427.497 4.285 50 0 biogenic IIAARN O=C(CSc1cccc2cccc(Cl)c21)NCc1cccnc1N1CCOCC1 ZINC000032017506 569458894 /nfs/dbraw/zinc/45/88/94/569458894.db2.gz RGMCPUDJCCWEAI-UHFFFAOYSA-N 0 0 427.957 4.133 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 ZINC000032070446 569459171 /nfs/dbraw/zinc/45/91/71/569459171.db2.gz LAJLIAVYBCJHHF-UHFFFAOYSA-N 0 0 441.487 4.126 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032073544 569459309 /nfs/dbraw/zinc/45/93/09/569459309.db2.gz BBLGOFULRZZFQD-UHFFFAOYSA-N 0 0 437.565 4.147 50 0 IIAARN Cc1nc2ccccc2nc1N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000032095276 569459828 /nfs/dbraw/zinc/45/98/28/569459828.db2.gz YIFNCOJHUWRJKX-NRFANRHFSA-N 0 0 435.915 4.021 50 0 IIAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000032097456 569459988 /nfs/dbraw/zinc/45/99/88/569459988.db2.gz MNXZPLDEQIMROM-UHFFFAOYSA-N 0 0 448.914 4.425 50 0 IIAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)C1=O ZINC000004123029 569460100 /nfs/dbraw/zinc/46/01/00/569460100.db2.gz XHPJJSWJTPKNHU-QFIPXVFZSA-N 0 0 439.309 4.067 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2cccc(Cl)c2)c3=O)c(OC)c1 ZINC000032103050 569460186 /nfs/dbraw/zinc/46/01/86/569460186.db2.gz VUTJONLYHPNIHX-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN O=C1CCc2ccc(OCCCCS(=O)(=O)c3ccc(F)c4ccccc43)cc2N1 ZINC000032102874 569460216 /nfs/dbraw/zinc/46/02/16/569460216.db2.gz LQODKHRACVYBCM-UHFFFAOYSA-N 0 0 427.497 4.497 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3F)C2)cc1OC ZINC000004142126 569460446 /nfs/dbraw/zinc/46/04/46/569460446.db2.gz FFQKESWRJIWLSO-NRFANRHFSA-N 0 0 440.496 4.383 50 0 IIAARN CC(C)Oc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183290 569460743 /nfs/dbraw/zinc/46/07/43/569460743.db2.gz FVUAZPQDRRGNIC-JOCHJYFZSA-N 0 0 429.582 4.427 50 0 IIAARN CCCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183289 569460759 /nfs/dbraw/zinc/46/07/59/569460759.db2.gz GRSNFPGJGLMTGC-QFIPXVFZSA-N 0 0 429.582 4.428 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000004232579 569461077 /nfs/dbraw/zinc/46/10/77/569461077.db2.gz XJRGFZREOJRVIA-UHFFFAOYSA-N 0 0 429.586 4.403 50 0 IIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007986495 569462000 /nfs/dbraw/zinc/46/20/00/569462000.db2.gz JILCUJLMYWGGGV-UHFFFAOYSA-N 0 0 427.570 4.104 50 0 IIAARN Cc1cccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000008041160 569462140 /nfs/dbraw/zinc/46/21/40/569462140.db2.gz DWBSCWSFSPJKDY-UHFFFAOYSA-N 0 0 428.598 4.023 50 0 IIAARN COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCN(C)CC1 ZINC000038546404 569463593 /nfs/dbraw/zinc/46/35/93/569463593.db2.gz LXVAQKXUCZKVGG-OAQYLSRUSA-N 0 0 425.554 4.247 50 0 IIAARN Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)cc1Cl ZINC000067208369 569464717 /nfs/dbraw/zinc/46/47/17/569464717.db2.gz ZIFZGAOXSZAOGJ-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1ccc(Cl)cc1 ZINC000067208501 569464722 /nfs/dbraw/zinc/46/47/22/569464722.db2.gz XOXCDCGSJIZFDA-UHFFFAOYSA-N 0 0 429.867 4.003 50 0 IIAARN Cc1cccc(Cl)c1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208627 569464767 /nfs/dbraw/zinc/46/47/67/569464767.db2.gz KNYMBOAIIBNSFC-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN Cc1ccc(C)c(-n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)c1 ZINC000067216866 569464865 /nfs/dbraw/zinc/46/48/65/569464865.db2.gz WZVTWJTYYYNSSE-UHFFFAOYSA-N 0 0 425.535 4.066 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2C)c1=O ZINC000067218427 569465004 /nfs/dbraw/zinc/46/50/04/569465004.db2.gz BSFJJOGTKRQIGQ-UHFFFAOYSA-N 0 0 447.560 4.340 50 0 IIAARN COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 ZINC000008452521 569465131 /nfs/dbraw/zinc/46/51/31/569465131.db2.gz VYJVHZKGJJFQHV-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236795 569465453 /nfs/dbraw/zinc/46/54/53/569465453.db2.gz VPEWWWPISSXNHE-KRWDZBQOSA-N 0 0 446.576 4.252 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000067237203 569465465 /nfs/dbraw/zinc/46/54/65/569465465.db2.gz SNFKWUYQYGWLEH-UHFFFAOYSA-N 0 0 448.548 4.378 50 0 IIAARN Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067236999 569465492 /nfs/dbraw/zinc/46/54/92/569465492.db2.gz PIHWZVJPFNAGJM-UHFFFAOYSA-N 0 0 436.581 4.429 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C ZINC000067238198 569465592 /nfs/dbraw/zinc/46/55/92/569465592.db2.gz LDXSDODGVSAWMS-UHFFFAOYSA-N 0 0 428.558 4.127 50 0 IIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000067239014 569465645 /nfs/dbraw/zinc/46/56/45/569465645.db2.gz QKGWKDQBXQQZQM-NVXWUHKLSA-N 0 0 426.586 4.234 50 0 IIAARN Nc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1Cc1ccc(Cl)cc1 ZINC000067240092 569465683 /nfs/dbraw/zinc/46/56/83/569465683.db2.gz CURGMIZFMCZEJP-UHFFFAOYSA-N 0 0 430.217 4.487 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000067257155 569466120 /nfs/dbraw/zinc/46/61/20/569466120.db2.gz LMYIMORORXDLCQ-UHFFFAOYSA-N 0 0 425.485 4.499 50 0 IIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000067258898 569466198 /nfs/dbraw/zinc/46/61/98/569466198.db2.gz GCCGJCDYVMWYNT-UHFFFAOYSA-N 0 0 448.500 4.424 50 0 IIAARN COc1ccc(-c2cc3c(=O)n(Cc4ccccc4C(F)(F)F)ccn3n2)cc1OC ZINC000067260831 569466404 /nfs/dbraw/zinc/46/64/04/569466404.db2.gz NUVNRNGTQWDQSQ-UHFFFAOYSA-N 0 0 429.398 4.247 50 0 IIAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc(OC)c1 ZINC000067293472 569467812 /nfs/dbraw/zinc/46/78/12/569467812.db2.gz ZCFIZVRCBLHHAN-LCUIJRPUSA-N 0 0 431.448 4.338 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301613 569468288 /nfs/dbraw/zinc/46/82/88/569468288.db2.gz ZRDCOMPOHDOWKU-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038726887 569468290 /nfs/dbraw/zinc/46/82/90/569468290.db2.gz NCGFBXWBYAJSEC-LEWJYISDSA-N 0 0 444.934 4.111 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2nc3ccccc3s2)n1 ZINC000038740480 569468650 /nfs/dbraw/zinc/46/86/50/569468650.db2.gz WNPNPRHFLCXKIK-UHFFFAOYSA-N 0 0 434.506 4.267 50 0 IIAARN CC(C)c1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 ZINC000067334570 569468824 /nfs/dbraw/zinc/46/88/24/569468824.db2.gz PBNGSRCKJMMGQP-UHFFFAOYSA-N 0 0 432.524 4.159 50 0 IIAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)cc(Sc2ccccc2)c1 ZINC000067351092 569469058 /nfs/dbraw/zinc/46/90/58/569469058.db2.gz PKVCAVXLMRYKRU-UHFFFAOYSA-N 0 0 428.535 4.398 50 0 IIAARN Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)c1 ZINC000008596228 569469271 /nfs/dbraw/zinc/46/92/71/569469271.db2.gz JMPZKVDAFKABLO-UHFFFAOYSA-N 0 0 428.529 4.199 50 0 IIAARN COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1OC ZINC000008705844 569470439 /nfs/dbraw/zinc/47/04/39/569470439.db2.gz NULOHXNLZRJUCL-UHFFFAOYSA-N 0 0 446.569 4.218 50 0 IIAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1-c1ccc(C)cc1 ZINC000008710872 569470989 /nfs/dbraw/zinc/47/09/89/569470989.db2.gz ZIDGWQZLTHMFQO-UHFFFAOYSA-N 0 0 449.580 4.287 50 0 IIAARN COc1ccc(CNC(=O)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 ZINC000008718991 569471376 /nfs/dbraw/zinc/47/13/76/569471376.db2.gz JIOZBXDUHHHBTB-UHFFFAOYSA-N 0 0 427.504 4.005 50 0 IIAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000008720087 569471497 /nfs/dbraw/zinc/47/14/97/569471497.db2.gz MNZHVWYDPRBHCD-UHFFFAOYSA-N 0 0 445.592 4.485 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCc4ccccc43)nnc2N2CCCC2)cc1 ZINC000008720954 569471690 /nfs/dbraw/zinc/47/16/90/569471690.db2.gz SKSQQSXQWXGGEJ-JOCHJYFZSA-N 0 0 447.608 4.462 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000008722155 569471749 /nfs/dbraw/zinc/47/17/49/569471749.db2.gz FNQVZGVSBXAPEA-INIZCTEOSA-N 0 0 435.889 4.074 50 0 IIAARN CCCCOC[C@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740415 569472842 /nfs/dbraw/zinc/47/28/42/569472842.db2.gz LKTAAXAVMICVEO-HVETUWLQSA-N 0 0 430.526 4.167 50 0 biogenic IIAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008747242 569473082 /nfs/dbraw/zinc/47/30/82/569473082.db2.gz AHSATGXWGIQJEN-UHFFFAOYSA-N 0 0 429.520 4.234 50 0 IIAARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000008748122 569473153 /nfs/dbraw/zinc/47/31/53/569473153.db2.gz WHSZYNIQNNSNLN-CQSZACIVSA-N 0 0 434.300 4.436 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCCC1=CCCCC1 ZINC000008748542 569473239 /nfs/dbraw/zinc/47/32/39/569473239.db2.gz AZRJXBMWDRTPOL-MJGOQNOKSA-N 0 0 441.597 4.063 50 0 IIAARN O=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)N1CCCC1 ZINC000008752629 569473601 /nfs/dbraw/zinc/47/36/01/569473601.db2.gz GJBFOSLAIPBGDC-UHFFFAOYSA-N 0 0 447.358 4.063 50 0 IIAARN Cn1nc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c2ccccc2c1=O ZINC000008762384 569474307 /nfs/dbraw/zinc/47/43/07/569474307.db2.gz FWFZLMLCRGAWMH-UHFFFAOYSA-N 0 0 426.501 4.391 50 0 IIAARN COc1cc2oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2cc1Cl ZINC000008764257 569474502 /nfs/dbraw/zinc/47/45/02/569474502.db2.gz WBHPUAFFMAACJW-UHFFFAOYSA-N 0 0 425.824 4.051 50 0 biogenic IIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C/C=C/c3ccccc3)C2=O)c(OC)c1 ZINC000008765360 569474711 /nfs/dbraw/zinc/47/47/11/569474711.db2.gz QHOKVMVZJJQULP-HWOQGQEBSA-N 0 0 443.499 4.224 50 0 biogenic IIAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000008768827 569475031 /nfs/dbraw/zinc/47/50/31/569475031.db2.gz YTYOUUQPVRMSPX-UHFFFAOYSA-N 0 0 438.958 4.002 50 0 IIAARN O=C(COc1cccc2ccc(N3CCOCC3)nc21)Nc1ccccc1C(F)(F)F ZINC000008769680 569475034 /nfs/dbraw/zinc/47/50/34/569475034.db2.gz SITJRWIFJIFYCH-UHFFFAOYSA-N 0 0 431.414 4.108 50 0 IIAARN O=C(COc1cccc2ccc(N3CCOCC3)nc21)Nc1cccc(C(F)(F)F)c1 ZINC000008769684 569475039 /nfs/dbraw/zinc/47/50/39/569475039.db2.gz NOPMNQHHHOLZLF-UHFFFAOYSA-N 0 0 431.414 4.108 50 0 IIAARN CC(C)n1c(=O)c2c3c(sc2n(CC(=O)c2ccc(Cl)cc2)c1=O)COC(C)(C)C3 ZINC000008769917 569475132 /nfs/dbraw/zinc/47/51/32/569475132.db2.gz LELCOIXJXYANHK-UHFFFAOYSA-N 0 0 446.956 4.193 50 0 IIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000008770849 569475151 /nfs/dbraw/zinc/47/51/51/569475151.db2.gz HHKUVOZTMFQDTL-UHFFFAOYSA-N 0 0 434.587 4.152 50 0 IIAARN O=C(NCCc1ccccc1F)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791241 569476140 /nfs/dbraw/zinc/47/61/40/569476140.db2.gz FIIFQBSUHBELJN-ZCYQVOJMSA-N 0 0 439.490 4.136 50 0 biogenic IIAARN CCOc1cc2c(cc1[C@H]1C=C3c4cc(OC)c(OC)cc4CCN3C(=O)C1)O[C@H](C)C2 ZINC000008790919 569476170 /nfs/dbraw/zinc/47/61/70/569476170.db2.gz UICXHDZYLYRUPS-WBVHZDCISA-N 0 0 435.520 4.339 50 0 biogenic IIAARN COC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1 ZINC000008791645 569476279 /nfs/dbraw/zinc/47/62/79/569476279.db2.gz OORPOUQTSWZPQG-UHFFFAOYSA-N 0 0 435.476 4.173 50 0 biogenic IIAARN CCCC(CCC)C(=O)NCCn1ncc2c1nc(SC(C)C)nc2N1CCCC1 ZINC000008797487 569476423 /nfs/dbraw/zinc/47/64/23/569476423.db2.gz GFZOUXXQLBSEEX-UHFFFAOYSA-N 0 0 432.638 4.260 50 0 IIAARN CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1 ZINC000008845154 569478720 /nfs/dbraw/zinc/47/87/20/569478720.db2.gz SIRGFRDQMXDWTO-QFIPXVFZSA-N 0 0 441.915 4.070 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCCCc3ccccc3)cs2)cc1 ZINC000008852843 569479525 /nfs/dbraw/zinc/47/95/25/569479525.db2.gz WRPCCYXUWQNTOU-UHFFFAOYSA-N 0 0 439.606 4.474 50 0 IIAARN CC[C@H]1CCc2sc(-c3nnc(SCc4nnnn4-c4ccccc4)n3C)cc2C1 ZINC000008860830 569479941 /nfs/dbraw/zinc/47/99/41/569479941.db2.gz TXBJOMZNCNRHMK-AWEZNQCLSA-N 0 0 437.598 4.327 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008862156 569480084 /nfs/dbraw/zinc/48/00/84/569480084.db2.gz AJHNBBQNFFFHKI-UHFFFAOYSA-N 0 0 436.943 4.258 50 0 IIAARN CC[C@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC ZINC000008869887 569480460 /nfs/dbraw/zinc/48/04/60/569480460.db2.gz NNCHOCPXJJOWSP-IPELMVKDSA-N 0 0 445.309 4.458 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)OCC(F)(F)F)cc1OCC ZINC000008869892 569480461 /nfs/dbraw/zinc/48/04/61/569480461.db2.gz QYPIXDGORVAEGK-IAGOWNOFSA-N 0 0 445.478 4.055 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)cc1)[C@@]31c2ccccc2NC1=O ZINC000008877627 569481258 /nfs/dbraw/zinc/48/12/58/569481258.db2.gz ABZYUACNUMIIIB-MHZLTWQESA-N 0 0 437.499 4.379 50 0 biogenic IIAARN CC(C)[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000008878634 569481285 /nfs/dbraw/zinc/48/12/85/569481285.db2.gz CSKVGXDOIKXGME-QFIPXVFZSA-N 0 0 430.932 4.135 50 0 IIAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cc(C)on4)CC3)c3ccccc3n2)cc1 ZINC000039981905 569482280 /nfs/dbraw/zinc/48/22/80/569482280.db2.gz JAXPOIQHYZFGPL-UHFFFAOYSA-N 0 0 442.519 4.165 50 0 IIAARN COCCCn1c(C)cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000039990588 569482345 /nfs/dbraw/zinc/48/23/45/569482345.db2.gz PJQZBPAPEDIEBL-UHFFFAOYSA-N 0 0 440.371 4.201 50 0 IIAARN CC[C@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COc2cccc3ccccc32)C1=O ZINC000040034735 569483279 /nfs/dbraw/zinc/48/32/79/569483279.db2.gz ZVELJMVCOUPZGZ-YADARESESA-N 0 0 438.911 4.090 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)C1 ZINC000040042796 569483528 /nfs/dbraw/zinc/48/35/28/569483528.db2.gz KGAHVOQLQDRYQM-CZDDOEBCSA-N 0 0 425.569 4.335 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2c(s1)CCCCC2 ZINC000008896149 569483865 /nfs/dbraw/zinc/48/38/65/569483865.db2.gz ZLJDWNATDIEHDA-UHFFFAOYSA-N 0 0 430.551 4.341 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC(F)F ZINC000040049937 569484131 /nfs/dbraw/zinc/48/41/31/569484131.db2.gz GRLXKUQXGOVJRK-XHBUVVKHSA-N 0 0 448.510 4.443 50 0 IIAARN C[C@@H](OC(=O)CNC(=O)c1ccco1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040052140 569484462 /nfs/dbraw/zinc/48/44/62/569484462.db2.gz KRKHGNVOTLDNKF-OAHLLOKOSA-N 0 0 437.883 4.365 50 0 IIAARN COc1ccccc1CCNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008912208 569484985 /nfs/dbraw/zinc/48/49/85/569484985.db2.gz ANLRKQIKLIVSKT-UHFFFAOYSA-N 0 0 446.576 4.264 50 0 IIAARN CSc1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 ZINC000008917034 569485937 /nfs/dbraw/zinc/48/59/37/569485937.db2.gz UCEULKQGRBXFRB-UHFFFAOYSA-N 0 0 427.939 4.387 50 0 IIAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000040072772 569485985 /nfs/dbraw/zinc/48/59/85/569485985.db2.gz OCTOIFBYMXMBBD-ZDUSSCGKSA-N 0 0 425.872 4.136 50 0 IIAARN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)c(I)c2)c1 ZINC000040094470 569487503 /nfs/dbraw/zinc/48/75/03/569487503.db2.gz YULXFRXHAHLHLW-UHFFFAOYSA-N 0 0 428.657 4.464 50 0 IIAARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933486 569487780 /nfs/dbraw/zinc/48/77/80/569487780.db2.gz JATFMSFSBHAELU-JTSKRJEESA-N 0 0 446.526 4.234 50 0 IIAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N(CC)C(C)C)cc2)C1=O ZINC000008945059 569489002 /nfs/dbraw/zinc/48/90/02/569489002.db2.gz QPUHLRJEDYKTMH-RUZDIDTESA-N 0 0 436.556 4.107 50 0 IIAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000040117552 569489282 /nfs/dbraw/zinc/48/92/82/569489282.db2.gz FYKDFBREENFCII-UHFFFAOYSA-N 0 0 447.445 4.176 50 0 IIAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nnnn1-c1ccccc1 ZINC000040122975 569489728 /nfs/dbraw/zinc/48/97/28/569489728.db2.gz RJLRUVNPGIJVME-ZDUSSCGKSA-N 0 0 426.933 4.289 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)N1CCc3ccccc31)c2=O ZINC000008955210 569490137 /nfs/dbraw/zinc/49/01/37/569490137.db2.gz ISQRKSVPEXJKAI-UHFFFAOYSA-N 0 0 436.924 4.071 50 0 IIAARN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2noc(C)n2)cc1OC ZINC000040134299 569490518 /nfs/dbraw/zinc/49/05/18/569490518.db2.gz YCABHJUQJMTGRW-AWEZNQCLSA-N 0 0 427.526 4.487 50 0 IIAARN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000040139217 569490846 /nfs/dbraw/zinc/49/08/46/569490846.db2.gz TZLGUDNMWVXIRZ-BBRMVZONSA-N 0 0 425.583 4.303 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1F ZINC000008961296 569490999 /nfs/dbraw/zinc/49/09/99/569490999.db2.gz RLXLVDDYJFLKST-UHFFFAOYSA-N 0 0 428.441 4.302 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(OC)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965248 569491388 /nfs/dbraw/zinc/49/13/88/569491388.db2.gz PWECJJUHIOIBSH-JOCHJYFZSA-N 0 0 430.508 4.402 50 0 IIAARN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008965749 569491530 /nfs/dbraw/zinc/49/15/30/569491530.db2.gz HCQBALGAXQVILZ-FQEVSTJZSA-N 0 0 435.549 4.408 50 0 IIAARN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008965748 569491568 /nfs/dbraw/zinc/49/15/68/569491568.db2.gz HCQBALGAXQVILZ-HXUWFJFHSA-N 0 0 435.549 4.408 50 0 IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000040140282 569491578 /nfs/dbraw/zinc/49/15/78/569491578.db2.gz BOAIKVUAKOMMHK-UHFFFAOYSA-N 0 0 428.242 4.043 50 0 IIAARN C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000040141198 569491684 /nfs/dbraw/zinc/49/16/84/569491684.db2.gz GTDPEOCEGMKAKF-NSHDSACASA-N 0 0 426.261 4.116 50 0 IIAARN COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000008966267 569491696 /nfs/dbraw/zinc/49/16/96/569491696.db2.gz DHOLMIWVFXUPFK-UHFFFAOYSA-N 0 0 445.548 4.305 50 0 IIAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)cn2)c1 ZINC000040142278 569491857 /nfs/dbraw/zinc/49/18/57/569491857.db2.gz FGTAWHPQCRLRMA-NRFANRHFSA-N 0 0 436.556 4.035 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC(N2CCCc3ccccc32)CC1 ZINC000040150170 569493175 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569554560 /nfs/dbraw/zinc/55/45/60/569554560.db2.gz FGXAWHUCWDIHRB-DCFHFQCYSA-N 0 0 447.579 4.352 50 0 IIAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(-c3ccc(Cl)cc3)o1)C2=O ZINC000009637625 569554864 /nfs/dbraw/zinc/55/48/64/569554864.db2.gz XDHMWCUGAVSLSD-UHFFFAOYSA-N 0 0 443.931 4.059 50 0 IIAARN CCCCN(c1nc2ccccc2nc1SCCO)S(=O)(=O)c1ccc(C)cc1 ZINC000009638593 569555031 /nfs/dbraw/zinc/55/50/31/569555031.db2.gz VXCUEQHSBIJDJI-UHFFFAOYSA-N 0 0 431.583 4.018 50 0 IIAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(=O)OC)C1 ZINC000009639138 569555133 /nfs/dbraw/zinc/55/51/33/569555133.db2.gz WLBBGQWMNIHYOH-UHFFFAOYSA-N 0 0 428.919 4.017 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c2C)no1 ZINC000009640669 569555484 /nfs/dbraw/zinc/55/54/84/569555484.db2.gz FHZPGCWJWJWSBE-UHFFFAOYSA-N 0 0 434.525 4.354 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000009643337 569555876 /nfs/dbraw/zinc/55/58/76/569555876.db2.gz QKPJYPGRHXEPCZ-WGDIFIGCSA-N 0 0 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CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)cc1 ZINC000009673725 569558944 /nfs/dbraw/zinc/55/89/44/569558944.db2.gz AQHZBGDAMIOTHD-IBGZPJMESA-N 0 0 443.912 4.296 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2cccs2)c1 ZINC000009673793 569558966 /nfs/dbraw/zinc/55/89/66/569558966.db2.gz LSSIDVSHCDNDRG-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc(-c4ccoc4C)o3)nc(=O)c2c1C ZINC000009690539 569560946 /nfs/dbraw/zinc/56/09/46/569560946.db2.gz BRTZJKPVDNOCKT-SNVBAGLBSA-N 0 0 446.510 4.274 50 0 IIAARN O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000009703547 569561342 /nfs/dbraw/zinc/56/13/42/569561342.db2.gz BYYHTVFOZCNRCZ-UHFFFAOYSA-N 0 0 427.342 4.429 50 0 IIAARN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708332 569561965 /nfs/dbraw/zinc/56/19/65/569561965.db2.gz SQJSMASSRSGOIL-HXUWFJFHSA-N 0 0 435.549 4.006 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1NC(=O)c1ccco1 ZINC000009709848 569562018 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IIAARN C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009730292 569564409 /nfs/dbraw/zinc/56/44/09/569564409.db2.gz AZWFWXOTAYKDMX-CYBMUJFWSA-N 0 0 436.566 4.328 50 0 IIAARN O=c1cc(CSc2nccn2-c2cccc(F)c2)nc2ccc(Br)cn12 ZINC000009731555 569564598 /nfs/dbraw/zinc/56/45/98/569564598.db2.gz KKQXCRNWOIPPIZ-UHFFFAOYSA-N 0 0 431.290 4.074 50 0 IIAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1 ZINC000009741350 569565245 /nfs/dbraw/zinc/56/52/45/569565245.db2.gz ZTPPPNHYWDVNEC-FQEVSTJZSA-N 0 0 449.981 4.420 50 0 IIAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009742928 569565408 /nfs/dbraw/zinc/56/54/08/569565408.db2.gz XIDXLMQZVPHPBW-UHFFFAOYSA-N 0 0 427.913 4.264 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)NC2CCCCC2)s1 ZINC000009743847 569565530 /nfs/dbraw/zinc/56/55/30/569565530.db2.gz RWHMDYMDMBWJPM-UHFFFAOYSA-N 0 0 435.575 4.122 50 0 IIAARN CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)cc1 ZINC000009743787 569565542 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CCOc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OCC ZINC000021871251 520948852 /nfs/dbraw/zinc/94/88/52/520948852.db2.gz RZZMYEBQDKMSBJ-UHFFFAOYSA-N 0 0 438.568 4.004 50 0 IIAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccc(F)cc2)CC1 ZINC000021860721 520949736 /nfs/dbraw/zinc/94/97/36/520949736.db2.gz XCAFTZYCGYOGJL-XCUQADKLSA-N 0 0 448.542 4.285 50 0 IIAARN CCOc1ccc(CN(C)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)cc1 ZINC000022342606 520965284 /nfs/dbraw/zinc/96/52/84/520965284.db2.gz WVUQTMYASDAQRT-UHFFFAOYSA-N 0 0 425.554 4.332 50 0 IIAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000021716663 520970197 /nfs/dbraw/zinc/97/01/97/520970197.db2.gz KMOAPLOOVPTXAK-DEOSSOPVSA-N 0 0 430.504 4.107 50 0 IIAARN CCOc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000035562002 520981408 /nfs/dbraw/zinc/98/14/08/520981408.db2.gz AVTYWGXEXKIQRB-UHFFFAOYSA-N 0 0 449.551 4.134 50 0 IIAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccc(C)cc1 ZINC000035847507 521034843 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50 0 IIAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000012306580 521179990 /nfs/dbraw/zinc/17/99/90/521179990.db2.gz JMXHMMHHQNNQHH-HSZRJFAPSA-N 0 0 425.916 4.245 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527858 521195210 /nfs/dbraw/zinc/19/52/10/521195210.db2.gz KZCYGCMCHGZKRT-SFHVURJKSA-N 0 0 433.917 4.315 50 0 IIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000020899541 521228331 /nfs/dbraw/zinc/22/83/31/521228331.db2.gz GECVROASHSJAPD-UHFFFAOYSA-N 0 0 440.503 4.359 50 0 IIAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)cc1 ZINC000015670109 521270890 /nfs/dbraw/zinc/27/08/90/521270890.db2.gz ORRXDUJJVJEQGH-HXUWFJFHSA-N 0 0 440.507 4.214 50 0 IIAARN CCOc1ccc2nc(NC(=O)Cn3ncc4c3c3cc(C)ccc3oc4=O)sc2c1 ZINC000020321928 521305844 /nfs/dbraw/zinc/30/58/44/521305844.db2.gz GOEPRXPCJPNFME-UHFFFAOYSA-N 0 0 434.477 4.098 50 0 IIAARN CCOc1cccc(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c1 ZINC000033290498 521357903 /nfs/dbraw/zinc/35/79/03/521357903.db2.gz SAVKKWQSSKXFIR-SFHVURJKSA-N 0 0 430.508 4.308 50 0 IIAARN CCCc1cc(C(=O)NC[C@@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)no1 ZINC000012193398 521358941 /nfs/dbraw/zinc/35/89/41/521358941.db2.gz DXBWYNKDMIGPPS-HNNXBMFYSA-N 0 0 444.944 4.193 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cc1coc2cc(CC)ccc12 ZINC000012813370 521385763 /nfs/dbraw/zinc/38/57/63/521385763.db2.gz SHBPYGKKYIQMOI-UHFFFAOYSA-N 0 0 428.510 4.083 50 0 IIAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000012217893 521419161 /nfs/dbraw/zinc/41/91/61/521419161.db2.gz SNQIPYLUDWYAOA-UHFFFAOYSA-N 0 0 430.537 4.326 50 0 IIAARN CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc21 ZINC000020742759 521436509 /nfs/dbraw/zinc/43/65/09/521436509.db2.gz DXRIFQXWHHTOGO-UHFFFAOYSA-N 0 0 439.581 4.291 50 0 IIAARN CCOc1ccccc1CNC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000033311948 521489302 /nfs/dbraw/zinc/48/93/02/521489302.db2.gz LOCYZYFPSRPYLW-UHFFFAOYSA-N 0 0 432.524 4.200 50 0 IIAARN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908322 521523151 /nfs/dbraw/zinc/52/31/51/521523151.db2.gz RWWGVCJIIJNEDF-OAQYLSRUSA-N 0 0 449.576 4.001 50 0 IIAARN CCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000022631123 521526641 /nfs/dbraw/zinc/52/66/41/521526641.db2.gz GMEXCBFDWXESDM-UHFFFAOYSA-N 0 0 442.610 4.027 50 0 IIAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000035766665 521533890 /nfs/dbraw/zinc/53/38/90/521533890.db2.gz ZLUDPKUPPSQCIG-UHFFFAOYSA-N 0 0 440.565 4.218 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2cc(C)c3cccc(C)c3n21 ZINC000011907883 521551650 /nfs/dbraw/zinc/55/16/50/521551650.db2.gz MMVLUZBYUOPGHU-UHFFFAOYSA-N 0 0 434.521 4.407 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(CC)n2c3ccsc3cc12 ZINC000020510742 521552005 /nfs/dbraw/zinc/55/20/05/521552005.db2.gz CEOOBBVSSONZER-UHFFFAOYSA-N 0 0 440.550 4.414 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OCC)cc1)S2 ZINC000020445793 521572760 /nfs/dbraw/zinc/57/27/60/521572760.db2.gz DYWQDXHIUFSLRM-VQTJNVASSA-N 0 0 441.532 4.166 50 0 IIAARN CCC(CC)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)N1CCOCC1 ZINC000022898683 521618687 /nfs/dbraw/zinc/61/86/87/521618687.db2.gz BCYZDLYCKSKMRO-VWLOTQADSA-N 0 0 432.568 4.164 50 0 IIAARN CCCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1 ZINC000021329469 521634281 /nfs/dbraw/zinc/63/42/81/521634281.db2.gz JIUFLMSAFMXEEC-UHFFFAOYSA-N 0 0 440.554 4.099 50 0 IIAARN CCCn1c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000012633023 521634747 /nfs/dbraw/zinc/63/47/47/521634747.db2.gz IPIIBGYZVKUYSE-ZDUSSCGKSA-N 0 0 443.960 4.227 50 0 IIAARN CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012859367 521682102 /nfs/dbraw/zinc/68/21/02/521682102.db2.gz YTNZTCIJNJANCW-UHFFFAOYSA-N 0 0 440.496 4.027 50 0 biogenic IIAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)CCc2ccccc2)c1 ZINC000035770060 521686924 /nfs/dbraw/zinc/68/69/24/521686924.db2.gz BFPMJIJKQYSWRW-UHFFFAOYSA-N 0 0 427.522 4.170 50 0 IIAARN CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2nc(C)sc2C)n1CCc1ccccc1 ZINC000012433367 521694666 /nfs/dbraw/zinc/69/46/66/521694666.db2.gz IYWOUKLQRJMQTC-INIZCTEOSA-N 0 0 446.642 4.186 50 0 IIAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3cccs3)cc2)C(C(=O)OCC)=C1C ZINC000035710004 521701275 /nfs/dbraw/zinc/70/12/75/521701275.db2.gz ANSIMFFNYSTYLI-IBGZPJMESA-N 0 0 427.526 4.314 50 0 IIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(SC)c1)C[C@@H]1CSCN12 ZINC000021152347 521731181 /nfs/dbraw/zinc/73/11/81/521731181.db2.gz RVMJGUKJMNWUAL-HFXUHXBXSA-N 0 0 439.606 4.004 50 0 biogenic IIAARN CCS[C@H]1Nc2ccccc2N1C(=O)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000015441234 521733140 /nfs/dbraw/zinc/73/31/40/521733140.db2.gz LSFPUMVYOJDHDF-DEOSSOPVSA-N 0 0 431.517 4.321 50 0 IIAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NC(C)C)cnc2n1C[C@H]1CCCO1 ZINC000014748488 521770889 /nfs/dbraw/zinc/77/08/89/521770889.db2.gz XMSAEHPNXIPBSL-GOSISDBHSA-N 0 0 436.512 4.075 50 0 IIAARN COC(=O)c1cc(CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)oc1C ZINC000012800394 521864429 /nfs/dbraw/zinc/86/44/29/521864429.db2.gz XFLUFSPWIGVKIM-AWEZNQCLSA-N 0 0 448.928 4.209 50 0 IIAARN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000012816725 521928000 /nfs/dbraw/zinc/92/80/00/521928000.db2.gz KYEFHEKEWXYRPW-MPNRVQBSSA-N 0 0 431.435 4.445 50 0 IIAARN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1 ZINC000021598605 522058738 /nfs/dbraw/zinc/05/87/38/522058738.db2.gz MQKSFDWQZJGWOT-UHFFFAOYSA-N 0 0 428.666 4.159 50 0 IIAARN COc1cc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2cccc(C)c2)cc(OC)c1OC ZINC000015722600 522065168 /nfs/dbraw/zinc/06/51/68/522065168.db2.gz AVQDDSNXYGOQSB-KGENOOAVSA-N 0 0 446.503 4.430 50 0 IIAARN COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc32)nnc1-c1ccncc1 ZINC000012805796 522075142 /nfs/dbraw/zinc/07/51/42/522075142.db2.gz PCZVMBJPGNBRLO-UHFFFAOYSA-N 0 0 432.431 4.100 50 0 IIAARN COCCn1c2ncc(NC[C@H]3CC=CCC3)cc2c(NC(=O)CC(C)C)c1C(=O)OC ZINC000014740529 522078024 /nfs/dbraw/zinc/07/80/24/522078024.db2.gz CJCZJIXBKKXXHA-KRWDZBQOSA-N 0 0 442.560 4.222 50 0 IIAARN COCCn1cnnc1SCC(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000022219295 522141222 /nfs/dbraw/zinc/14/12/22/522141222.db2.gz SOTBNEVALNHYQZ-UHFFFAOYSA-N 0 0 432.343 4.329 50 0 IIAARN COc1cc(C)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1OC ZINC000012921206 522203832 /nfs/dbraw/zinc/20/38/32/522203832.db2.gz ZWBRJUOBTZZIQM-UHFFFAOYSA-N 0 0 441.534 4.151 50 0 IIAARN COC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012429623 522255993 /nfs/dbraw/zinc/25/59/93/522255993.db2.gz JCMOSGSQIKDAEP-QGZVFWFLSA-N 0 0 442.943 4.075 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F ZINC000020734813 522277914 /nfs/dbraw/zinc/27/79/14/522277914.db2.gz IKOSVMLVXSGQSS-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2)ccc1O[C@H]1CCOC1 ZINC000012456769 522362876 /nfs/dbraw/zinc/36/28/76/522362876.db2.gz ZAUSQBSDEHSEFY-QFIPXVFZSA-N 0 0 436.483 4.240 50 0 IIAARN COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(C)s2)ccc1O[C@@H]1CCOC1 ZINC000012453514 522363328 /nfs/dbraw/zinc/36/33/28/522363328.db2.gz LUZYQPSPOQLUFB-HXUWFJFHSA-N 0 0 438.549 4.470 50 0 IIAARN COc1cc(CNC(=O)CSc2nc(C)c(C)n2C2CCCC2)cc(OC)c1OC ZINC000012573644 522414297 /nfs/dbraw/zinc/41/42/97/522414297.db2.gz IUKYFIPIBCXTLM-UHFFFAOYSA-N 0 0 433.574 4.049 50 0 IIAARN CC[C@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 ZINC000036048488 522434217 /nfs/dbraw/zinc/43/42/17/522434217.db2.gz LBBNJWNVAZKHAZ-XUZZJYLKSA-N 0 0 443.563 4.429 50 0 IIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000036002922 522442215 /nfs/dbraw/zinc/44/22/15/522442215.db2.gz CHTBEPAXBJNIBU-GOSISDBHSA-N 0 0 444.539 4.275 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)c1cccc(F)c1 ZINC000035961650 522452288 /nfs/dbraw/zinc/45/22/88/522452288.db2.gz BEWHOAWILSPTRF-QHCPKHFHSA-N 0 0 433.458 4.415 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000021843683 522502747 /nfs/dbraw/zinc/50/27/47/522502747.db2.gz FRIDODVUVCCBRX-HNNXBMFYSA-N 0 0 437.323 4.262 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1N1CCCCC1 ZINC000012533981 522517466 /nfs/dbraw/zinc/51/74/66/522517466.db2.gz SHDDYCLOGSMFHZ-UHFFFAOYSA-N 0 0 448.611 4.420 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000012890676 522518219 /nfs/dbraw/zinc/51/82/19/522518219.db2.gz LNRHSSKBPWXSQA-UHFFFAOYSA-N 0 0 437.721 4.163 50 0 IIAARN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)cc1 ZINC000012895452 522531001 /nfs/dbraw/zinc/53/10/01/522531001.db2.gz MHGDROGNLDNUKI-IBGZPJMESA-N 0 0 436.961 4.014 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1Cl ZINC000001074448 522531426 /nfs/dbraw/zinc/53/14/26/522531426.db2.gz KSTKKDQVATUWLQ-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN COc1cc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc(OC)c1OC ZINC000012361871 522688407 /nfs/dbraw/zinc/68/84/07/522688407.db2.gz NFWMZDZRNQDDPQ-NRFANRHFSA-N 0 0 425.460 4.290 50 0 IIAARN CCc1nn2c(nc(CSc3nc4ccc(NC(=O)C(C)C)cc4s3)cc2=O)s1 ZINC000020583352 522708663 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IIAARN CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)cc1 ZINC000041086075 523988371 /nfs/dbraw/zinc/98/83/71/523988371.db2.gz BXEFKLRQPYUFKQ-UHFFFAOYSA-N 0 0 438.538 4.045 50 0 IIAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CCCC2)cc1OCC1(C)COC1 ZINC000012038756 524013817 /nfs/dbraw/zinc/01/38/17/524013817.db2.gz HXOCTTYNYJWBEL-NRFANRHFSA-N 0 0 431.573 4.198 50 0 IIAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020680171 524019484 /nfs/dbraw/zinc/01/94/84/524019484.db2.gz YZUCVHLCDBGAJL-VWLOTQADSA-N 0 0 436.552 4.339 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021809453 524021416 /nfs/dbraw/zinc/02/14/16/524021416.db2.gz TUUQQNHLPSWGAX-DEOSSOPVSA-N 0 0 437.565 4.185 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000021811225 524021579 /nfs/dbraw/zinc/02/15/79/524021579.db2.gz HWJIZQXAPADYBZ-ZZTRNUCDSA-N 0 0 449.551 4.353 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(OC)cc2)C2CCCCC2)c1C 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50 0 IIAARN Cc1cccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2ccccc2C)c1 ZINC000034692795 524494395 /nfs/dbraw/zinc/49/43/95/524494395.db2.gz HHRRPKMSTMUGOP-UHFFFAOYSA-N 0 0 436.515 4.062 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3OC)n2)cc1 ZINC000033325054 524503780 /nfs/dbraw/zinc/50/37/80/524503780.db2.gz MIQALTVEULRARI-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1cc(C)n(CCC(=O)N(Cc2ccc(OC[C@H]3CCCO3)cc2)Cc2cccnc2)n1 ZINC000012162544 524516144 /nfs/dbraw/zinc/51/61/44/524516144.db2.gz JBIKGZSBLXWHKU-RUZDIDTESA-N 0 0 448.567 4.072 50 0 IIAARN Cc1cc(C)n(CCCNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)n1 ZINC000012585971 524523769 /nfs/dbraw/zinc/52/37/69/524523769.db2.gz RPHPYFSMOURPOP-UHFFFAOYSA-N 0 0 436.581 4.359 50 0 IIAARN COc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1 ZINC000034927427 524542743 /nfs/dbraw/zinc/54/27/43/524542743.db2.gz SBHQRLVSLXXJJZ-UHFFFAOYSA-N 0 0 431.945 4.453 50 0 IIAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccccc2)=N3)c(OC)c1 ZINC000020578248 524542877 /nfs/dbraw/zinc/54/28/77/524542877.db2.gz XMGVDNAHGLCAAW-UHFFFAOYSA-N 0 0 438.553 4.292 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CCCn3c4ccccc4n4cccc4c3=O)C[C@H]2C)c1 ZINC000020489636 524543766 /nfs/dbraw/zinc/54/37/66/524543766.db2.gz INYZFRHROPFSNX-OAQYLSRUSA-N 0 0 442.563 4.080 50 0 IIAARN Cc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000015783578 524548634 /nfs/dbraw/zinc/54/86/34/524548634.db2.gz ZWKFELOTXKWEHO-OXJNMPFZSA-N 0 0 434.565 4.048 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2csc(-c3cc4ccccc4n3C)n2)CC1 ZINC000035598446 524551468 /nfs/dbraw/zinc/55/14/68/524551468.db2.gz MTCRQDVRWOFFNT-UHFFFAOYSA-N 0 0 432.549 4.273 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccccc4C)n3c2)cc1 ZINC000033284618 524561961 /nfs/dbraw/zinc/56/19/61/524561961.db2.gz UOIKFIWBBNBFOX-UHFFFAOYSA-N 0 0 445.548 4.007 50 0 IIAARN COc1ccc(NC(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1OC ZINC000035376391 524564615 /nfs/dbraw/zinc/56/46/15/524564615.db2.gz TYLATHBIVODLQZ-UHFFFAOYSA-N 0 0 431.496 4.246 50 0 IIAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156882 524579059 /nfs/dbraw/zinc/57/90/59/524579059.db2.gz WLMDOBBJTGNVQN-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccccc1NC(=O)C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000021053234 524582887 /nfs/dbraw/zinc/58/28/87/524582887.db2.gz VJFLFMIWEFBXIH-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc4ccccc34)CC2)cc1OC ZINC000022931974 524604771 /nfs/dbraw/zinc/60/47/71/524604771.db2.gz AWABCANODNBDOJ-KRWDZBQOSA-N 0 0 439.581 4.063 50 0 IIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)c1 ZINC000035535144 524608786 /nfs/dbraw/zinc/60/87/86/524608786.db2.gz RNDYXPXPVZOMMQ-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035399782 524608924 /nfs/dbraw/zinc/60/89/24/524608924.db2.gz WIPQGVRSKAYHGE-UHFFFAOYSA-N 0 0 440.478 4.486 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1C ZINC000012228966 524610097 /nfs/dbraw/zinc/61/00/97/524610097.db2.gz KVLIOSISWWYAGA-UHFFFAOYSA-N 0 0 433.487 4.100 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1OC ZINC000022483749 524614338 /nfs/dbraw/zinc/61/43/38/524614338.db2.gz PWTZMXNNJUNISY-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl ZINC000033088676 524637128 /nfs/dbraw/zinc/63/71/28/524637128.db2.gz ORLSDMQWCYVKDW-UHFFFAOYSA-N 0 0 428.897 4.406 50 0 IIAARN Cc1ccc(CSCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 ZINC000097985863 524643273 /nfs/dbraw/zinc/64/32/73/524643273.db2.gz NLQGQAVCZOUNGC-CPNJWEJPSA-N 0 0 426.563 4.081 50 0 IIAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2O1 ZINC000041157595 524659099 /nfs/dbraw/zinc/65/90/99/524659099.db2.gz XJBTXRQLCDSCFW-HNNXBMFYSA-N 0 0 426.469 4.054 50 0 IIAARN Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)c4ccccc4)C3)CCC(=O)N2)cc1 ZINC000014980217 524667281 /nfs/dbraw/zinc/66/72/81/524667281.db2.gz OMLOJMWEKBAPSP-HOFKKMOUSA-N 0 0 432.564 4.088 50 0 IIAARN COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1Cl ZINC000012235215 524719629 /nfs/dbraw/zinc/71/96/29/524719629.db2.gz JWEQMFDPUYQSNS-UHFFFAOYSA-N 0 0 440.935 4.474 50 0 IIAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)cc2C1 ZINC000012700824 524735013 /nfs/dbraw/zinc/73/50/13/524735013.db2.gz QTHGCKMUIMGMAD-OAHLLOKOSA-N 0 0 438.549 4.328 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCC3)ccc21 ZINC000021714179 524750442 /nfs/dbraw/zinc/75/04/42/524750442.db2.gz RBYXWXHOUDTYCI-UHFFFAOYSA-N 0 0 425.920 4.056 50 0 IIAARN COc1ccccc1[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000012738558 524775208 /nfs/dbraw/zinc/77/52/08/524775208.db2.gz PFJMVIGEZJTJCZ-AWEZNQCLSA-N 0 0 438.391 4.108 50 0 IIAARN Cc1cc(CSc2ncccc2C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)no1 ZINC000012602865 524820105 /nfs/dbraw/zinc/82/01/05/524820105.db2.gz WOBARCIMWIRQBR-UHFFFAOYSA-N 0 0 447.564 4.462 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1 ZINC000012641084 524887903 /nfs/dbraw/zinc/88/79/03/524887903.db2.gz WPZIIKYQQOXSIP-ROUUACIJSA-N 0 0 439.581 4.406 50 0 IIAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045601 524897709 /nfs/dbraw/zinc/89/77/09/524897709.db2.gz HFQAPINGACBRDC-XZOQPEGZSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC000012881656 524902271 /nfs/dbraw/zinc/90/22/71/524902271.db2.gz OYBVRZDBOSSRDX-INIZCTEOSA-N 0 0 432.524 4.327 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(Cl)cc1 ZINC000012905671 524913409 /nfs/dbraw/zinc/91/34/09/524913409.db2.gz BIHJVJIFICZGKU-INIZCTEOSA-N 0 0 447.000 4.107 50 0 IIAARN C[C@H](NC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21)C12CC3CC(CC(C3)C1)C2 ZINC000035372372 524931550 /nfs/dbraw/zinc/93/15/50/524931550.db2.gz MYRBONCSYAORHA-AWYKWWOESA-N 0 0 446.595 4.390 50 0 IIAARN COc1ccc(OC[C@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000012512979 524973191 /nfs/dbraw/zinc/97/31/91/524973191.db2.gz QKUCJFRYVXZVCT-NRFANRHFSA-N 0 0 447.560 4.399 50 0 IIAARN Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885326 524995027 /nfs/dbraw/zinc/99/50/27/524995027.db2.gz QRTCUKNBXLVUQV-KRWDZBQOSA-N 0 0 434.471 4.443 50 0 IIAARN Cc1cc(F)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012767898 524995834 /nfs/dbraw/zinc/99/58/34/524995834.db2.gz JSCCAKIAETWXDE-UHFFFAOYSA-N 0 0 430.526 4.195 50 0 IIAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nn1 ZINC000022493646 525002648 /nfs/dbraw/zinc/00/26/48/525002648.db2.gz MDSUVHWIJXIJAX-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1Cl ZINC000022907615 525004831 /nfs/dbraw/zinc/00/48/31/525004831.db2.gz ALJAJNMEMKNOLN-NRFANRHFSA-N 0 0 437.927 4.096 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1C ZINC000022908236 525004879 /nfs/dbraw/zinc/00/48/79/525004879.db2.gz OPAPKSQYNLZEBV-QFIPXVFZSA-N 0 0 433.577 4.219 50 0 IIAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000012537799 525027921 /nfs/dbraw/zinc/02/79/21/525027921.db2.gz DUQJKQNNSPBMIL-MRXNPFEDSA-N 0 0 442.972 4.429 50 0 IIAARN Cc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)c3cccc(F)c3[nH]2)s1 ZINC000021099325 525065378 /nfs/dbraw/zinc/06/53/78/525065378.db2.gz BHACWFIIBXIUTP-UHFFFAOYSA-N 0 0 426.498 4.372 50 0 IIAARN C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000012756928 525079586 /nfs/dbraw/zinc/07/95/86/525079586.db2.gz VHOVUBQJTHQAOP-INIZCTEOSA-N 0 0 435.977 4.075 50 0 IIAARN COc1nn(C)cc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000021011387 525089893 /nfs/dbraw/zinc/08/98/93/525089893.db2.gz IXZXMUNALSUZIO-UHFFFAOYSA-N 0 0 430.342 4.132 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)C3CCC3)C(C)C)ccc2OC)cc1 ZINC000036008426 525091180 /nfs/dbraw/zinc/09/11/80/525091180.db2.gz MPHQZDUDXNGRMS-UHFFFAOYSA-N 0 0 447.553 4.009 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862745 525135316 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4.264 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccco1 ZINC000021781974 525198944 /nfs/dbraw/zinc/19/89/44/525198944.db2.gz ASGZJOZKRFIUGZ-RUZDIDTESA-N 0 0 435.524 4.247 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000021864487 525200348 /nfs/dbraw/zinc/20/03/48/525200348.db2.gz HLKXUELUTJMZRE-AREMUKBSSA-N 0 0 446.551 4.397 50 0 IIAARN C[C@H](NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1 ZINC000012542917 525210249 /nfs/dbraw/zinc/21/02/49/525210249.db2.gz OATMMALERQDKRV-ZDUSSCGKSA-N 0 0 433.892 4.166 50 0 IIAARN Cc1ccccc1N(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000012752501 525217193 /nfs/dbraw/zinc/21/71/93/525217193.db2.gz JRDUDUZVXGEXMB-UHFFFAOYSA-N 0 0 446.475 4.430 50 0 IIAARN Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(Br)c1 ZINC000012873705 525246144 /nfs/dbraw/zinc/24/61/44/525246144.db2.gz VLCGSHPDXADAKV-UHFFFAOYSA-N 0 0 437.359 4.184 50 0 IIAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000012738348 525249277 /nfs/dbraw/zinc/24/92/77/525249277.db2.gz XWUWGOGDYKMNSL-INIZCTEOSA-N 0 0 431.432 4.128 50 0 IIAARN Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012508320 525249257 /nfs/dbraw/zinc/24/92/57/525249257.db2.gz JVFQYJSUOJDJOO-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN Cc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021800854 525255920 /nfs/dbraw/zinc/25/59/20/525255920.db2.gz ZGQIPTQRDTXGOT-UHFFFAOYSA-N 0 0 432.484 4.003 50 0 IIAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000012850283 525258069 /nfs/dbraw/zinc/25/80/69/525258069.db2.gz UMGPSBDKUMUCIV-LJQANCHMSA-N 0 0 435.597 4.350 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000033062000 525261121 /nfs/dbraw/zinc/26/11/21/525261121.db2.gz KLGRFQSADWCRBT-UHFFFAOYSA-N 0 0 428.945 4.044 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012216168 525299266 /nfs/dbraw/zinc/29/92/66/525299266.db2.gz LCHIKVJPLVJVDP-UHFFFAOYSA-N 0 0 426.563 4.364 50 0 IIAARN C[C@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000020551727 525301518 /nfs/dbraw/zinc/30/15/18/525301518.db2.gz QANDUNOCNUVCBG-MZLPPYGWSA-N 0 0 442.515 4.004 50 0 IIAARN COc1ccc([C@H](CC(=O)NCc2cccs2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561265 525344488 /nfs/dbraw/zinc/34/44/88/525344488.db2.gz IMEGJNCQXUFORQ-FQEVSTJZSA-N 0 0 436.533 4.169 50 0 IIAARN Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)ccc1Cl ZINC000012798622 525367858 /nfs/dbraw/zinc/36/78/58/525367858.db2.gz QZDIPTXMTOABSX-UHFFFAOYSA-N 0 0 448.972 4.079 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012915417 525410782 /nfs/dbraw/zinc/41/07/82/525410782.db2.gz SZLIBIXJELVULL-GOSISDBHSA-N 0 0 437.323 4.104 50 0 IIAARN Cc1cc(S(=O)(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)ccc1F ZINC000021038264 525416386 /nfs/dbraw/zinc/41/63/86/525416386.db2.gz LIXPCDSVGOFDRI-HXUWFJFHSA-N 0 0 441.459 4.391 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1F ZINC000041154792 525420002 /nfs/dbraw/zinc/42/00/02/525420002.db2.gz CHOIZZILPMFWBZ-UHFFFAOYSA-N 0 0 439.917 4.421 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036041643 525422369 /nfs/dbraw/zinc/42/23/69/525422369.db2.gz YSWKZMDQCMKQAG-RPWUZVMVSA-N 0 0 432.495 4.007 50 0 IIAARN CC(=O)c1ccc(NC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000009114892 534857439 /nfs/dbraw/zinc/85/74/39/534857439.db2.gz PDSJWRSOVHOJEF-HSZRJFAPSA-N 0 0 429.476 4.170 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)CC3 ZINC000023430194 525484858 /nfs/dbraw/zinc/48/48/58/525484858.db2.gz QIYYYMFFNFHEDI-UHFFFAOYSA-N 0 0 449.580 4.070 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc(F)cc1F ZINC000017340169 525526732 /nfs/dbraw/zinc/52/67/32/525526732.db2.gz JRWKUJFKHWMYFG-UHFFFAOYSA-N 0 0 440.537 4.179 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012785863 525529929 /nfs/dbraw/zinc/52/99/29/525529929.db2.gz XMWUTEQMLUVXHU-SFHVURJKSA-N 0 0 427.353 4.484 50 0 IIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000012782056 525530727 /nfs/dbraw/zinc/53/07/27/525530727.db2.gz PWXUXLKAZIQMEY-MRXNPFEDSA-N 0 0 431.521 4.051 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2ccccc2C)cc1 ZINC000035559372 525554292 /nfs/dbraw/zinc/55/42/92/525554292.db2.gz UZPOYWGPIZCEFI-RUZDIDTESA-N 0 0 448.588 4.298 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc4c(cc32)OCO4)cc1 ZINC000021158537 525630314 /nfs/dbraw/zinc/63/03/14/525630314.db2.gz BQVVFGOCPWRZNU-UHFFFAOYSA-N 0 0 431.469 4.336 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccc3c(c2)OCO3)cc1 ZINC000012419439 525633305 /nfs/dbraw/zinc/63/33/05/525633305.db2.gz SVXAJWDHGBQIGX-UHFFFAOYSA-N 0 0 438.461 4.417 50 0 IIAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 ZINC000035448195 525672511 /nfs/dbraw/zinc/67/25/11/525672511.db2.gz LVTZBRLQZURSKH-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc(=O)n2o1 ZINC000035378662 525674778 /nfs/dbraw/zinc/67/47/78/525674778.db2.gz AJNWHCVOMMAOFB-GOSISDBHSA-N 0 0 447.491 4.198 50 0 IIAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3ccccc3C)cc(=O)n2o1 ZINC000020983223 525675583 /nfs/dbraw/zinc/67/55/83/525675583.db2.gz KAAAYHNYRXDQFO-UHFFFAOYSA-N 0 0 435.505 4.214 50 0 IIAARN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)cc2c1 ZINC000263584811 525678499 /nfs/dbraw/zinc/67/84/99/525678499.db2.gz BAFRHWJIXRFVAH-KRWDZBQOSA-N 0 0 443.455 4.294 50 0 biogenic IIAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)CCc2ccc(C)cc2)C3)n1 ZINC000012162008 525708883 /nfs/dbraw/zinc/70/88/83/525708883.db2.gz GPBAWPPHNFLFBQ-UHFFFAOYSA-N 0 0 432.520 4.428 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccc(C)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020890479 525712573 /nfs/dbraw/zinc/71/25/73/525712573.db2.gz QRWUTLFLLLJEEQ-XMMPIXPASA-N 0 0 443.547 4.177 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)on2)cc1 ZINC000012918646 525737040 /nfs/dbraw/zinc/73/70/40/525737040.db2.gz JVXCKELNQIOQTO-UHFFFAOYSA-N 0 0 444.468 4.280 50 0 IIAARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)NC[C@@H]3CCCO3)o2)cc1 ZINC000012461967 525740398 /nfs/dbraw/zinc/74/03/98/525740398.db2.gz SMZRUXPTMRSODN-NRPPHEFGSA-N 0 0 430.504 4.321 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000012507313 525766934 /nfs/dbraw/zinc/76/69/34/525766934.db2.gz UQCAXBOVMHVLOU-UHFFFAOYSA-N 0 0 448.910 4.244 50 0 IIAARN CSCc1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)o1 ZINC000012922707 525767374 /nfs/dbraw/zinc/76/73/74/525767374.db2.gz JLTGHWJKPCDDNC-OAHLLOKOSA-N 0 0 445.566 4.166 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382272 525767721 /nfs/dbraw/zinc/76/77/21/525767721.db2.gz BUKDXQVETIHCGY-MGPUTAFESA-N 0 0 438.915 4.094 50 0 IIAARN Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3cccs3)N3CCOCC3)o2)cc1C ZINC000012912043 525769038 /nfs/dbraw/zinc/76/90/38/525769038.db2.gz FZOQTWIOJZOWQQ-FQEVSTJZSA-N 0 0 439.581 4.142 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000021651469 525774010 /nfs/dbraw/zinc/77/40/10/525774010.db2.gz BBGGGQQGTYQMBA-GOSISDBHSA-N 0 0 434.970 4.238 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000021651472 525776757 /nfs/dbraw/zinc/77/67/57/525776757.db2.gz BBGGGQQGTYQMBA-SFHVURJKSA-N 0 0 434.970 4.238 50 0 IIAARN Cc1ccc(-c2csc3[nH]c(CSc4nc5nc(C)cc(C)n5n4)nc(=O)c23)s1 ZINC000012818928 525784203 /nfs/dbraw/zinc/78/42/03/525784203.db2.gz ZLNIIUVTTHWGFE-UHFFFAOYSA-N 0 0 440.579 4.368 50 0 IIAARN Cc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)o1 ZINC000012810367 525796135 /nfs/dbraw/zinc/79/61/35/525796135.db2.gz QBIDKDUQJMRQLW-HSZRJFAPSA-N 0 0 428.448 4.474 50 0 IIAARN COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 ZINC000036041279 525809687 /nfs/dbraw/zinc/80/96/87/525809687.db2.gz UKZVQRKRYGSJMR-BJKOFHAPSA-N 0 0 432.495 4.007 50 0 IIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccccc3)C2)c1 ZINC000036041280 525810780 /nfs/dbraw/zinc/81/07/80/525810780.db2.gz UKZVQRKRYGSJMR-RPWUZVMVSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000012932350 525861943 /nfs/dbraw/zinc/86/19/43/525861943.db2.gz LVGIDRMGHBNZKI-QFIPXVFZSA-N 0 0 443.551 4.223 50 0 IIAARN Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012361769 525866714 /nfs/dbraw/zinc/86/67/14/525866714.db2.gz HSIAGIYHPFGEET-HXUWFJFHSA-N 0 0 431.355 4.353 50 0 IIAARN COc1cccc(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccc(C(C)=O)s4)c3O2)c1 ZINC000012034508 525872042 /nfs/dbraw/zinc/87/20/42/525872042.db2.gz LHTOARQELIBRFQ-LJQANCHMSA-N 0 0 439.508 4.428 50 0 IIAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1ccccc1F ZINC000035961828 525890418 /nfs/dbraw/zinc/89/04/18/525890418.db2.gz YRWGYYUOCIGIJG-QGZVFWFLSA-N 0 0 427.526 4.365 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nnc2-c2ccccc2F)cc1 ZINC000017835694 525897731 /nfs/dbraw/zinc/89/77/31/525897731.db2.gz BGIWFPCWZJKCQW-CALCHBBNSA-N 0 0 440.544 4.110 50 0 IIAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000012530253 525903339 /nfs/dbraw/zinc/90/33/39/525903339.db2.gz NZORHLKFCYPLOT-VWLOTQADSA-N 0 0 447.922 4.013 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858597 525928624 /nfs/dbraw/zinc/92/86/24/525928624.db2.gz VCKGVULEEHJHKS-AREMUKBSSA-N 0 0 433.552 4.227 50 0 IIAARN Cc1ccc(-n2ncc(NC[C@@H](O)c3ccc(F)c(F)c3)c(Cl)c2=O)cc1Cl ZINC000065477158 525931428 /nfs/dbraw/zinc/93/14/28/525931428.db2.gz UORWHVKNKVJBDK-QGZVFWFLSA-N 0 0 426.250 4.271 50 0 IIAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000012140411 525933649 /nfs/dbraw/zinc/93/36/49/525933649.db2.gz KAXFQYHFZSXVOZ-UHFFFAOYSA-N 0 0 425.464 4.441 50 0 IIAARN Cc1cn2c(nc(COc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)cc2=O)s1 ZINC000041085600 525941611 /nfs/dbraw/zinc/94/16/11/525941611.db2.gz KSMBLEAMNDCFIR-MRXNPFEDSA-N 0 0 435.505 4.049 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(F)c3)C2=O)c1 ZINC000020573823 525959737 /nfs/dbraw/zinc/95/97/37/525959737.db2.gz ZYIDWTJFBAEYGD-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN Cc1ccc([C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2cccs2)cc1 ZINC000012911657 525967911 /nfs/dbraw/zinc/96/79/11/525967911.db2.gz LTAWJRURSHNTHZ-NRFANRHFSA-N 0 0 439.606 4.413 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)c1 ZINC000012303846 525968509 /nfs/dbraw/zinc/96/85/09/525968509.db2.gz BDRGJMYOIFFLIL-IBGZPJMESA-N 0 0 431.536 4.192 50 0 IIAARN CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000022808525 525972372 /nfs/dbraw/zinc/97/23/72/525972372.db2.gz ZVZIFTAKXCGOIQ-UHFFFAOYSA-N 0 0 437.590 4.380 50 0 IIAARN CSc1ccc(CCNC(=O)c2cnc3sc4c(n3c2=O)CCCCCC4)cc1 ZINC000035430613 525985455 /nfs/dbraw/zinc/98/54/55/525985455.db2.gz CBRULFZIFLCSNC-UHFFFAOYSA-N 0 0 427.595 4.109 50 0 IIAARN CSc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012737044 525986429 /nfs/dbraw/zinc/98/64/29/525986429.db2.gz DKOXJQXDVHEKLJ-SFHVURJKSA-N 0 0 437.487 4.147 50 0 IIAARN CSc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012737042 525987838 /nfs/dbraw/zinc/98/78/38/525987838.db2.gz DKOXJQXDVHEKLJ-GOSISDBHSA-N 0 0 437.487 4.147 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417262 525996030 /nfs/dbraw/zinc/99/60/30/525996030.db2.gz DQGTWNZYEYIXKN-UHFFFAOYSA-N 0 0 438.890 4.294 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n4cccc34)C2)c1OC ZINC000020902692 525997865 /nfs/dbraw/zinc/99/78/65/525997865.db2.gz RTZTWYNPKBQRJN-LJQANCHMSA-N 0 0 444.535 4.038 50 0 IIAARN COc1cccc(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000021166826 526002027 /nfs/dbraw/zinc/00/20/27/526002027.db2.gz NNSAZFLPNKQVOJ-UHFFFAOYSA-N 0 0 433.938 4.294 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)c1OC ZINC000020514725 526004225 /nfs/dbraw/zinc/00/42/25/526004225.db2.gz FPILNMDMJVFAGW-GDLZYMKVSA-N 0 0 433.913 4.188 50 0 IIAARN COc1cccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 ZINC000021531226 526007303 /nfs/dbraw/zinc/00/73/03/526007303.db2.gz CCADMTQECWDEQQ-UHFFFAOYSA-N 0 0 434.521 4.164 50 0 IIAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012600986 526012287 /nfs/dbraw/zinc/01/22/87/526012287.db2.gz FXNFJTXQGJFJKV-ZDUSSCGKSA-N 0 0 442.566 4.156 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)on1 ZINC000020580169 526039833 /nfs/dbraw/zinc/03/98/33/526039833.db2.gz IPTZZHKAEFTWOL-UHFFFAOYSA-N 0 0 445.972 4.431 50 0 IIAARN Cc1ccc(C(=O)COC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)s1 ZINC000012909112 526048382 /nfs/dbraw/zinc/04/83/82/526048382.db2.gz FREBIDHHAIGKOH-KRWDZBQOSA-N 0 0 429.441 4.232 50 0 IIAARN C[C@H](c1ccccc1)n1cc2c(c1-c1cccc(Br)c1)c(=O)n(C)c(=O)n2C ZINC000021150132 526109488 /nfs/dbraw/zinc/10/94/88/526109488.db2.gz CEFDKEDOSGGMJL-CQSZACIVSA-N 0 0 438.325 4.078 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3nc(C)nc4c3cnn4-c3ccccc3Cl)CC2)cc1 ZINC000035990649 526116735 /nfs/dbraw/zinc/11/67/35/526116735.db2.gz DAHAIUMIURCWAK-UHFFFAOYSA-N 0 0 446.942 4.048 50 0 IIAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012752985 526132593 /nfs/dbraw/zinc/13/25/93/526132593.db2.gz GISHCSXBHPQCOS-OAHLLOKOSA-N 0 0 430.346 4.127 50 0 IIAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN([C@H](C)c4ccccc4)CC3)c(Cl)cc12 ZINC000022024837 526148865 /nfs/dbraw/zinc/14/88/65/526148865.db2.gz FSSCIMISIWHURQ-QGZVFWFLSA-N 0 0 440.927 4.039 50 0 IIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012924826 526157850 /nfs/dbraw/zinc/15/78/50/526157850.db2.gz UQKZJSFGHBQOSW-UHFFFAOYSA-N 0 0 437.721 4.321 50 0 IIAARN CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000014982710 526163865 /nfs/dbraw/zinc/16/38/65/526163865.db2.gz FYOJJZIZOJTKHW-HKUYNNGSSA-N 0 0 426.969 4.500 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012877604 526165017 /nfs/dbraw/zinc/16/50/17/526165017.db2.gz QDIJJVLCUHBFMJ-MRXNPFEDSA-N 0 0 433.474 4.061 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000012920407 526180473 /nfs/dbraw/zinc/18/04/73/526180473.db2.gz PAWGNGDPRNHEHR-GFCCVEGCSA-N 0 0 437.974 4.033 50 0 IIAARN COc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCc3ccccc3)c2)c1 ZINC000035210147 526193725 /nfs/dbraw/zinc/19/37/25/526193725.db2.gz MWLJWWFCDPDEMX-UHFFFAOYSA-N 0 0 432.524 4.378 50 0 IIAARN COc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000033068199 526195171 /nfs/dbraw/zinc/19/51/71/526195171.db2.gz MPQXYURUNCGCLX-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN Cc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000012935613 526203882 /nfs/dbraw/zinc/20/38/82/526203882.db2.gz QSCPHCDKZJRQPY-LJQANCHMSA-N 0 0 448.585 4.276 50 0 IIAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000012447622 526206038 /nfs/dbraw/zinc/20/60/38/526206038.db2.gz CUMCFBJHDXUFNG-QFIPXVFZSA-N 0 0 441.409 4.066 50 0 IIAARN CSc1nc2nc(C)c(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c(C)n2n1 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O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(OC(F)(F)F)cc1 ZINC000022608883 527470771 /nfs/dbraw/zinc/47/07/71/527470771.db2.gz GUBFGKFWUHFYBG-UHFFFAOYSA-N 0 0 438.409 4.242 50 0 IIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000040132011 527475083 /nfs/dbraw/zinc/47/50/83/527475083.db2.gz RXBBNTMHFMMEIG-UHFFFAOYSA-N 0 0 429.501 4.370 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1cc2ccccc2oc1=O ZINC000021659725 527497807 /nfs/dbraw/zinc/49/78/07/527497807.db2.gz FDQXYZGGAJCTEK-UHFFFAOYSA-N 0 0 434.296 4.388 50 0 IIAARN O=C(NC1CCCCCC1)[C@@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012772018 527519755 /nfs/dbraw/zinc/51/97/55/527519755.db2.gz VZLFLCYDIVDINN-PXNSSMCTSA-N 0 0 437.403 4.179 50 0 IIAARN O=C(Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1)Nc1ccccc1 ZINC000015882716 527534678 /nfs/dbraw/zinc/53/46/78/527534678.db2.gz RQBRQYJODUXTFF-UHFFFAOYSA-N 0 0 425.539 4.254 50 0 IIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012763214 527535329 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Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020891608 527569659 /nfs/dbraw/zinc/56/96/59/527569659.db2.gz RTNKOJPUHZNNNJ-QGZVFWFLSA-N 0 0 444.358 4.125 50 0 IIAARN Cc1nn(-c2nc(CC(=O)Nc3nccs3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000021804463 527570931 /nfs/dbraw/zinc/57/09/31/527570931.db2.gz GJJOBSZQNHUFFQ-UHFFFAOYSA-N 0 0 427.530 4.313 50 0 IIAARN Nc1nccnc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000012736551 527572167 /nfs/dbraw/zinc/57/21/67/527572167.db2.gz BBYDHZYNCFPMOL-UHFFFAOYSA-N 0 0 447.364 4.396 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000015670566 527574252 /nfs/dbraw/zinc/57/42/52/527574252.db2.gz OAWRXCAQIMXKCD-IBGZPJMESA-N 0 0 428.471 4.263 50 0 IIAARN Nn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccccc1F ZINC000012921150 527584237 /nfs/dbraw/zinc/58/42/37/527584237.db2.gz FKECEHFYHDVNHB-UHFFFAOYSA-N 0 0 429.480 4.458 50 0 IIAARN O=C(NCC1CCCCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458681 527606715 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ZINC000008594577 537046564 /nfs/dbraw/zinc/04/65/64/537046564.db2.gz OKYUCAZURUCNAS-UHFFFAOYSA-N 0 0 434.521 4.164 50 0 IIAARN COc1ccccc1N1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000002850580 537064961 /nfs/dbraw/zinc/06/49/61/537064961.db2.gz ADRNAAYAILZFOQ-UHFFFAOYSA-N 0 0 429.731 4.383 50 0 IIAARN COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)c(OC)c1 ZINC000009278565 555507299 /nfs/dbraw/zinc/50/72/99/555507299.db2.gz QADPIGCHPPLMJM-UHFFFAOYSA-N 0 0 441.534 4.485 50 0 IIAARN COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccc(Cl)cc1 ZINC000000624143 555511763 /nfs/dbraw/zinc/51/17/63/555511763.db2.gz OCPVNBOLSQNKAE-UHFFFAOYSA-N 0 0 432.929 4.187 50 0 IIAARN O=C(c1cccs1)c1nn(-c2cccc(Cl)c2)c2nc(-c3ccccc3)cc(=O)n12 ZINC000000624438 555512038 /nfs/dbraw/zinc/51/20/38/555512038.db2.gz SUHKWKOLVJXORN-UHFFFAOYSA-N 0 0 432.892 4.493 50 0 IIAARN CCOC(=O)c1sc(NC(=O)COc2ccccc2Cl)c(C(=O)OCC)c1C ZINC000000633166 555515749 /nfs/dbraw/zinc/51/57/49/555515749.db2.gz KIDPDNQHEGHWRJ-UHFFFAOYSA-N 0 0 425.890 4.081 50 0 IIAARN O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000637068 555516933 /nfs/dbraw/zinc/51/69/33/555516933.db2.gz LELLDCYVIKCGGG-HXUWFJFHSA-N 0 0 449.304 4.295 50 0 IIAARN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccc(I)cc1 ZINC000000658520 555526026 /nfs/dbraw/zinc/52/60/26/555526026.db2.gz ODYLZFNGQUKPJG-FQEVSTJZSA-N 0 0 427.241 4.145 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000000667341 555529246 /nfs/dbraw/zinc/52/92/46/555529246.db2.gz WHGXQPZXKOEXFT-UHFFFAOYSA-N 0 0 428.476 4.354 50 0 IIAARN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2OCC)cc1 ZINC000000669356 555530190 /nfs/dbraw/zinc/53/01/90/555530190.db2.gz KAFKDVPCZHHBEZ-HSZRJFAPSA-N 0 0 431.492 4.396 50 0 IIAARN COc1ccc(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1 ZINC000000671339 555531364 /nfs/dbraw/zinc/53/13/64/555531364.db2.gz METJVLVNMRGPAL-IBVKSMDESA-N 0 0 438.568 4.449 50 0 IIAARN Cc1c(CN(C)C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cnn1C 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COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)cc2C1=O ZINC000000688636 555541400 /nfs/dbraw/zinc/54/14/00/555541400.db2.gz AZLMWGBNLZMZON-INIZCTEOSA-N 0 0 443.455 4.232 50 0 IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000000695959 555542650 /nfs/dbraw/zinc/54/26/50/555542650.db2.gz DNAPGNWGOOJPFW-JKSUJKDBSA-N 0 0 428.554 4.372 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)c(Cl)c3n2)cc1OC ZINC000000709076 555546126 /nfs/dbraw/zinc/54/61/26/555546126.db2.gz WQEZRSKSBCQSPL-UHFFFAOYSA-N 0 0 442.825 4.224 50 0 IIAARN O=C(Cn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1 ZINC000000721461 555550243 /nfs/dbraw/zinc/55/02/43/555550243.db2.gz OZFIRPFTFJZREH-UHFFFAOYSA-N 0 0 441.878 4.181 50 0 IIAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000724743 555551117 /nfs/dbraw/zinc/55/11/17/555551117.db2.gz UIENYKHISAKOLS-UHFFFAOYSA-N 0 0 431.945 4.228 50 0 IIAARN COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1CC[C@H](C)C2 ZINC000000729991 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0 IIAARN COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccc(OC)c(OC)c2)cc1OC ZINC000001431411 555696591 /nfs/dbraw/zinc/69/65/91/555696591.db2.gz ZJZAUTVWYGANJT-OAQYLSRUSA-N 0 0 435.520 4.477 50 0 IIAARN COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000002050314 555728727 /nfs/dbraw/zinc/72/87/27/555728727.db2.gz GEMACFZFURZEBX-IBGZPJMESA-N 0 0 437.443 4.187 50 0 IIAARN NC(=O)c1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 ZINC000002052480 555729575 /nfs/dbraw/zinc/72/95/75/555729575.db2.gz JWUSHFQJZUXELJ-UHFFFAOYSA-N 0 0 435.983 4.331 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1OS(=O)(=O)c1ccccc1C ZINC000002069559 555734282 /nfs/dbraw/zinc/73/42/82/555734282.db2.gz YTCVCRVTMMLYGG-UHFFFAOYSA-N 0 0 431.535 4.180 50 0 IIAARN CCc1ccccc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002072028 555735191 /nfs/dbraw/zinc/73/51/91/555735191.db2.gz LEGJIEKPKFPFLP-UHFFFAOYSA-N 0 0 436.577 4.112 50 0 IIAARN CCCNC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000002083775 555739209 /nfs/dbraw/zinc/73/92/09/555739209.db2.gz HSVPHIMQFAKAQZ-UHFFFAOYSA-N 0 0 427.224 4.317 50 0 IIAARN CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002088320 555740580 /nfs/dbraw/zinc/74/05/80/555740580.db2.gz OJJQDMVBGVRFMJ-OCCSQVGLSA-N 0 0 431.256 4.446 50 0 IIAARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1OC ZINC000002091966 555741140 /nfs/dbraw/zinc/74/11/40/555741140.db2.gz HMFYPJXIGQQTEV-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN COc1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl ZINC000002170581 555751814 /nfs/dbraw/zinc/75/18/14/555751814.db2.gz NIUKUDURJRPCIJ-UHFFFAOYSA-N 0 0 427.950 4.012 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002207427 555758079 /nfs/dbraw/zinc/75/80/79/555758079.db2.gz RNZFRBSNEXWWHV-UHFFFAOYSA-N 0 0 425.901 4.366 50 0 IIAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(Br)c4)cc1c32 ZINC000002211989 555758204 /nfs/dbraw/zinc/75/82/04/555758204.db2.gz JGPWMEPYEKBITC-UHFFFAOYSA-N 0 0 426.266 4.393 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 ZINC000002334401 555769550 /nfs/dbraw/zinc/76/95/50/555769550.db2.gz GGUCICTVEKCSJD-UHFFFAOYSA-N 0 0 430.537 4.326 50 0 IIAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002399954 555775846 /nfs/dbraw/zinc/77/58/46/555775846.db2.gz WTDYACBNMQVRGA-IBGZPJMESA-N 0 0 433.489 4.410 50 0 IIAARN CCOc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002410419 555776786 /nfs/dbraw/zinc/77/67/86/555776786.db2.gz QVYVYXJXZHBQGU-UHFFFAOYSA-N 0 0 447.539 4.100 50 0 IIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(OC)c2)s1 ZINC000002423815 555777709 /nfs/dbraw/zinc/77/77/09/555777709.db2.gz IHOZTACHJCPZTH-LJQANCHMSA-N 0 0 433.489 4.274 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccccc1Cl ZINC000002447734 555780736 /nfs/dbraw/zinc/78/07/36/555780736.db2.gz YDZRJXMHKLDWCI-UHFFFAOYSA-N 0 0 435.940 4.391 50 0 IIAARN O=C1C=C(NNc2nc3ccccc3s2)C(O)N1c1ccc(Oc2ccccc2)cc1 ZINC000002453417 555782280 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Cc1ccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccccc2Cl)cc1 ZINC000034693050 555805911 /nfs/dbraw/zinc/80/59/11/555805911.db2.gz WWDJEKASDKSZQT-UHFFFAOYSA-N 0 0 434.927 4.474 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002736010 555806186 /nfs/dbraw/zinc/80/61/86/555806186.db2.gz HRFCHFCONBQLKV-UHFFFAOYSA-N 0 0 439.537 4.467 50 0 IIAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccccc1 ZINC000034693141 555806262 /nfs/dbraw/zinc/80/62/62/555806262.db2.gz IUXTWLPROHSNOM-UHFFFAOYSA-N 0 0 442.906 4.099 50 0 IIAARN CC(C)n1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000034694791 555809702 /nfs/dbraw/zinc/80/97/02/555809702.db2.gz GVUPAVSXOWKBGP-UHFFFAOYSA-N 0 0 447.297 4.424 50 0 IIAARN O=C(NCCCOC(=O)c1ccccc1Br)c1ccccc1Br ZINC000002753404 555810906 /nfs/dbraw/zinc/81/09/06/555810906.db2.gz XNUUSBVBXARXRN-UHFFFAOYSA-N 0 0 441.119 4.189 50 0 IIAARN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034680024 555813162 /nfs/dbraw/zinc/81/31/62/555813162.db2.gz LSVZQFKGULVFHE-UHFFFAOYSA-N 0 0 434.511 4.206 50 0 IIAARN CCCc1nnc(NC(=O)[C@H](CC)Sc2nnc3c4ccccc4n(CC)c3n2)s1 ZINC000002775800 555817826 /nfs/dbraw/zinc/81/78/26/555817826.db2.gz REEQPMRPRNTGGP-AWEZNQCLSA-N 0 0 441.586 4.313 50 0 IIAARN Cc1ccc(N2CCN(C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1C ZINC000034685889 555821014 /nfs/dbraw/zinc/82/10/14/555821014.db2.gz FZQSOVWLOQEYED-HSZRJFAPSA-N 0 0 442.991 4.012 50 0 IIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)C5CCC5)[C@H](C)C4)n23)c1 ZINC000034707034 555821819 /nfs/dbraw/zinc/82/18/19/555821819.db2.gz DJZUBSQOOJQRAO-GOSISDBHSA-N 0 0 440.551 4.090 50 0 IIAARN C[C@H]1CN(c2nc3ccccc3c3nnc(C4CC4)n32)CCN1C(=O)c1ccccc1Cl ZINC000034707240 555822189 /nfs/dbraw/zinc/82/21/89/555822189.db2.gz CPFDOAFEPDKPTL-HNNXBMFYSA-N 0 0 446.942 4.159 50 0 IIAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 ZINC000002796762 555822387 /nfs/dbraw/zinc/82/23/87/555822387.db2.gz MYIZRUGUOABIQG-UHFFFAOYSA-N 0 0 439.483 4.328 50 0 IIAARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000002796958 555822844 /nfs/dbraw/zinc/82/28/44/555822844.db2.gz UIDUUOUESXRNBX-UHFFFAOYSA-N 0 0 427.884 4.062 50 0 IIAARN CCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002829994 555831592 /nfs/dbraw/zinc/83/15/92/555831592.db2.gz LZOCKWDIBQCNQY-UHFFFAOYSA-N 0 0 449.787 4.364 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C ZINC000002835258 555832595 /nfs/dbraw/zinc/83/25/95/555832595.db2.gz IZFDQTDMOSHSLV-UHFFFAOYSA-N 0 0 437.569 4.296 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Br)cc1 ZINC000002835363 555832599 /nfs/dbraw/zinc/83/25/99/555832599.db2.gz NBSFJQHVAUYVHT-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000002861180 555844516 /nfs/dbraw/zinc/84/45/16/555844516.db2.gz XBVWRRAYJPFWKO-UHFFFAOYSA-N 0 0 431.471 4.314 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000002861852 555845140 /nfs/dbraw/zinc/84/51/40/555845140.db2.gz FNXJKFIVWYDALB-UHFFFAOYSA-N 0 0 430.913 4.467 50 0 IIAARN COc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000002871552 555850046 /nfs/dbraw/zinc/85/00/46/555850046.db2.gz JINQMUXUTBPVIM-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1-c1ccccc1F ZINC000002874422 555851304 /nfs/dbraw/zinc/85/13/04/555851304.db2.gz IINIJYOIWBRXLB-UHFFFAOYSA-N 0 0 442.516 4.400 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000002875191 555851827 /nfs/dbraw/zinc/85/18/27/555851827.db2.gz KTPRYDMJCIBTPM-UHFFFAOYSA-N 0 0 438.505 4.143 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000002875343 555851971 /nfs/dbraw/zinc/85/19/71/555851971.db2.gz UFLJDTCXZHISTH-UHFFFAOYSA-N 0 0 438.505 4.143 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000002886403 555858149 /nfs/dbraw/zinc/85/81/49/555858149.db2.gz UHMXBHLFZYBHFO-LJQANCHMSA-N 0 0 438.549 4.222 50 0 IIAARN O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCC2(CC1)OCCO2 ZINC000002890808 555859491 /nfs/dbraw/zinc/85/94/91/555859491.db2.gz KLARLECYBZJKAD-UHFFFAOYSA-N 0 0 440.503 4.042 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)cc1OC ZINC000002981799 555872207 /nfs/dbraw/zinc/87/22/07/555872207.db2.gz YJLUFDKXVCUVKZ-UHFFFAOYSA-N 0 0 441.534 4.144 50 0 IIAARN Ic1ccc(OCCOCCOc2cccc3cccnc32)cc1 ZINC000002983912 555873408 /nfs/dbraw/zinc/87/34/08/555873408.db2.gz UMVGYIMVZGNQEQ-UHFFFAOYSA-N 0 0 435.261 4.314 50 0 IIAARN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000003004094 555878132 /nfs/dbraw/zinc/87/81/32/555878132.db2.gz LTPFIDJYTLPANT-CCRNYGKSSA-N 0 0 441.915 4.357 50 0 IIAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000003118625 555888733 /nfs/dbraw/zinc/88/87/33/555888733.db2.gz OJRJOKMMJSFOEE-AWEZNQCLSA-N 0 0 426.797 4.374 50 0 IIAARN CN(C)C(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003130763 555890173 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O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000009371454 556286179 /nfs/dbraw/zinc/28/61/79/556286179.db2.gz RYVSJHQMIKVSBE-UHFFFAOYSA-N 0 0 427.298 4.243 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H](C)O)occ3-c1ccc(Cl)cc1 ZINC000009410695 556288513 /nfs/dbraw/zinc/28/85/13/556288513.db2.gz DKJRFWDKLGITGJ-GFCCVEGCSA-N 0 0 425.868 4.208 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCCCc3ccccc3)N(Cc3ccccc3Cl)[C@@H]2C1 ZINC000009419807 556289233 /nfs/dbraw/zinc/28/92/33/556289233.db2.gz HKLUABPLXJLMBF-VQTJNVASSA-N 0 0 435.014 4.043 50 0 IIAARN Cc1sc2nc(SCC(=O)Nc3ccc(Br)cc3)n(C)c(=O)c2c1C ZINC000009424087 556289665 /nfs/dbraw/zinc/28/96/65/556289665.db2.gz NNIIBGQJFCFYBW-UHFFFAOYSA-N 0 0 438.372 4.105 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4nc(C)cs4)c(C)c13)CCC(C)(C)O2 ZINC000013720632 556289773 /nfs/dbraw/zinc/28/97/73/556289773.db2.gz NRZDSCNCIQLKDF-UHFFFAOYSA-N 0 0 428.510 4.160 50 0 IIAARN CCOc1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1OCC ZINC000009436356 556291810 /nfs/dbraw/zinc/29/18/10/556291810.db2.gz IGHAHQBWADAWEW-UHFFFAOYSA-N 0 0 442.487 4.154 50 0 IIAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1OC ZINC000009496047 556295193 /nfs/dbraw/zinc/29/51/93/556295193.db2.gz ZKDAQBKCLYQQNO-HXUWFJFHSA-N 0 0 439.903 4.266 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1cccs1 ZINC000013731302 556295732 /nfs/dbraw/zinc/29/57/32/556295732.db2.gz FTDXWKNFKWAFTE-UHFFFAOYSA-N 0 0 436.530 4.037 50 0 IIAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccs1 ZINC000004451490 556297207 /nfs/dbraw/zinc/29/72/07/556297207.db2.gz KUDVVTVTHSVYOY-UHFFFAOYSA-N 0 0 427.566 4.478 50 0 IIAARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O ZINC000009581485 556300716 /nfs/dbraw/zinc/30/07/16/556300716.db2.gz KVGUPKCUGISANC-NRFANRHFSA-N 0 0 444.535 4.043 50 0 IIAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000013758636 556301130 /nfs/dbraw/zinc/30/11/30/556301130.db2.gz XFACIRCHMAWJKX-IBGZPJMESA-N 0 0 433.489 4.492 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000032740805 556302005 /nfs/dbraw/zinc/30/20/05/556302005.db2.gz NEMYRIBFOJKGBS-UHFFFAOYSA-N 0 0 440.916 4.241 50 0 IIAARN COc1ccc(CCn2c(C)cc(C(=O)Cn3c4ccccc4nc(C)c3=O)c2C)cc1 ZINC000032741468 556303166 /nfs/dbraw/zinc/30/31/66/556303166.db2.gz BGFLNMUEVDXEFS-UHFFFAOYSA-N 0 0 429.520 4.257 50 0 IIAARN O=C(Cc1c(Cl)cccc1Cl)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000009633333 556304209 /nfs/dbraw/zinc/30/42/09/556304209.db2.gz KWBZFFUFXNHGET-BOPFTXTBSA-N 0 0 435.332 4.389 50 0 IIAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000032744580 556304550 /nfs/dbraw/zinc/30/45/50/556304550.db2.gz VVVRJFKKSZCTGT-UHFFFAOYSA-N 0 0 438.380 4.140 50 0 IIAARN O=C(CN1c2ccccc2OCCC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032744649 556304630 /nfs/dbraw/zinc/30/46/30/556304630.db2.gz DDVNNBOAANODMT-TUAJMSPBSA-N 0 0 438.527 4.216 50 0 IIAARN O=C(Nc1cccc(Cl)c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663661 556304974 /nfs/dbraw/zinc/30/49/74/556304974.db2.gz FQIUCXWWCSLARL-IBGZPJMESA-N 0 0 448.910 4.224 50 0 IIAARN Cc1nc2nc(SCC(=O)NC(C)(C)C)nn2c(C)c1Cc1ccc(F)cc1Cl ZINC000009673018 556305528 /nfs/dbraw/zinc/30/55/28/556305528.db2.gz JEZWOKONILWDDA-UHFFFAOYSA-N 0 0 435.956 4.131 50 0 IIAARN Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O ZINC000009698715 556306841 /nfs/dbraw/zinc/30/68/41/556306841.db2.gz NEGYWSSWIZGGOC-CQSZACIVSA-N 0 0 442.928 4.071 50 0 IIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000013775129 556307242 /nfs/dbraw/zinc/30/72/42/556307242.db2.gz ISROYEPCEPNTGG-UHFFFAOYSA-N 0 0 437.515 4.377 50 0 IIAARN CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013778602 556308289 /nfs/dbraw/zinc/30/82/89/556308289.db2.gz WRCKAAVHYOIAHA-UHFFFAOYSA-N 0 0 438.524 4.305 50 0 IIAARN COc1cccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ncccc3c2=O)c1 ZINC000009830399 556310985 /nfs/dbraw/zinc/31/09/85/556310985.db2.gz PGUJREIHDOEOOM-UHFFFAOYSA-N 0 0 446.532 4.137 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000032747517 556316220 /nfs/dbraw/zinc/31/62/20/556316220.db2.gz PCBGZDJTRKSTQT-UHFFFAOYSA-N 0 0 438.887 4.102 50 0 IIAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000032747518 556316288 /nfs/dbraw/zinc/31/62/88/556316288.db2.gz MANCCBIZXBURNI-UHFFFAOYSA-N 0 0 443.868 4.129 50 0 IIAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)cc1 ZINC000009925406 556316681 /nfs/dbraw/zinc/31/66/81/556316681.db2.gz KJOBBMHYCXIRGC-SFHVURJKSA-N 0 0 447.329 4.242 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2cccc(F)c2)cc1 ZINC000009934192 556317939 /nfs/dbraw/zinc/31/79/39/556317939.db2.gz VIGQVFHUXDLAQN-QFIPXVFZSA-N 0 0 447.466 4.201 50 0 IIAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2=O)c1 ZINC000032760267 556320486 /nfs/dbraw/zinc/32/04/86/556320486.db2.gz DXYDTUWNYDDMBE-KRWDZBQOSA-N 0 0 427.460 4.495 50 0 IIAARN Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000013857181 556321415 /nfs/dbraw/zinc/32/14/15/556321415.db2.gz MPKMBEPGUGBWCO-UHFFFAOYSA-N 0 0 449.459 4.342 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc(OC(C)C)c4)c3)nn12 ZINC000010010245 556322015 /nfs/dbraw/zinc/32/20/15/556322015.db2.gz ITSDESXRHFTLMK-UHFFFAOYSA-N 0 0 437.525 4.463 50 0 IIAARN COc1ccc(CN(C(=O)CSc2nc3sc(C)c(C)c3c(N)n2)C2CC2)cc1 ZINC000032776967 556327138 /nfs/dbraw/zinc/32/71/38/556327138.db2.gz MFJYFXYYIIEYFK-UHFFFAOYSA-N 0 0 428.583 4.182 50 0 IIAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(OC)c1C ZINC000013896070 556329261 /nfs/dbraw/zinc/32/92/61/556329261.db2.gz XYEHQFLOBKDPNR-YBFXNURJSA-N 0 0 440.521 4.304 50 0 IIAARN COc1cc(CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C2CC2)ccc1OC(F)F ZINC000032772478 556335192 /nfs/dbraw/zinc/33/51/92/556335192.db2.gz JNVHNKRLTALXNT-UHFFFAOYSA-N 0 0 444.478 4.224 50 0 IIAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2)CC1=O ZINC000010461937 556335568 /nfs/dbraw/zinc/33/55/68/556335568.db2.gz JWFOFKBLOPHKDR-MRXNPFEDSA-N 0 0 443.931 4.188 50 0 IIAARN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nnsc1Cl ZINC000032776155 556336986 /nfs/dbraw/zinc/33/69/86/556336986.db2.gz RWDGOFMETYEJLW-UHFFFAOYSA-N 0 0 431.370 4.274 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc4c(c3)CCCC4)n2C)c1 ZINC000013941889 556338843 /nfs/dbraw/zinc/33/88/43/556338843.db2.gz LSARHBMSHAWXLQ-UHFFFAOYSA-N 0 0 438.553 4.109 50 0 IIAARN Cc1ccccc1OCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000013942566 556340043 /nfs/dbraw/zinc/34/00/43/556340043.db2.gz OXGXRDDLZMPNTN-KQWNVCNZSA-N 0 0 428.513 4.223 50 0 IIAARN COc1cccc(C2=N/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)O2)c1 ZINC000013943391 556340674 /nfs/dbraw/zinc/34/06/74/556340674.db2.gz HFHQIBXIJMIMPI-HMAPJEAMSA-N 0 0 449.484 4.116 50 0 IIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)CC1=O ZINC000013944426 556341635 /nfs/dbraw/zinc/34/16/35/556341635.db2.gz AMHZXPUOFCHZNH-AWEZNQCLSA-N 0 0 442.928 4.038 50 0 IIAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000013944732 556342029 /nfs/dbraw/zinc/34/20/29/556342029.db2.gz OSQULFCIPMKJLW-INIZCTEOSA-N 0 0 425.916 4.250 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccnc1 ZINC000013945640 556342752 /nfs/dbraw/zinc/34/27/52/556342752.db2.gz NXCZAMSNGDIKDV-JOCHJYFZSA-N 0 0 427.287 4.396 50 0 IIAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCCCOC(C)C ZINC000013955471 556344906 /nfs/dbraw/zinc/34/49/06/556344906.db2.gz HUWCTZCFTZFYEB-RUZDIDTESA-N 0 0 433.552 4.343 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000011664576 556345191 /nfs/dbraw/zinc/34/51/91/556345191.db2.gz LBXLAQJMVDJKCG-HSZRJFAPSA-N 0 0 441.528 4.306 50 0 IIAARN COc1ccc([C@H](O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000013957429 556345260 /nfs/dbraw/zinc/34/52/60/556345260.db2.gz HKOODBATRGWRRN-QFIPXVFZSA-N 0 0 425.868 4.454 50 0 IIAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000011706843 556347666 /nfs/dbraw/zinc/34/76/66/556347666.db2.gz HIGIZTKGPPHERE-NRFANRHFSA-N 0 0 436.527 4.235 50 0 IIAARN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCC[C@@H]1CCn1cccn1 ZINC000011715064 556348106 /nfs/dbraw/zinc/34/81/06/556348106.db2.gz ZVDVJZUTPOGOQO-OAQYLSRUSA-N 0 0 434.540 4.414 50 0 IIAARN CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]cn4)c3n2)cc1 ZINC000013961268 556349005 /nfs/dbraw/zinc/34/90/05/556349005.db2.gz OSBCBUYXWMSSOQ-UHFFFAOYSA-N 0 0 442.445 4.234 50 0 IIAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000013990293 556352759 /nfs/dbraw/zinc/35/27/59/556352759.db2.gz LHBGMVLPAORMIQ-SFHVURJKSA-N 0 0 444.597 4.097 50 0 IIAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(CC)C[C@@H]2CCCO2)c1 ZINC000011784831 556352913 /nfs/dbraw/zinc/35/29/13/556352913.db2.gz JUQWUPJDTRGEAL-FQEVSTJZSA-N 0 0 448.567 4.154 50 0 IIAARN COc1cccc(CNc2ncnc3sc(C(=O)N(C)CCc4ccccn4)c(C)c32)c1 ZINC000011786968 556353742 /nfs/dbraw/zinc/35/37/42/556353742.db2.gz GWYPKSRDZNUEKO-UHFFFAOYSA-N 0 0 447.564 4.330 50 0 IIAARN O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Br)o1 ZINC000032796107 556358909 /nfs/dbraw/zinc/35/89/09/556358909.db2.gz QOBMQYOXEHUDTH-UHFFFAOYSA-N 0 0 429.226 4.275 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)C[C@@H](C)O1 ZINC000014070802 556361110 /nfs/dbraw/zinc/36/11/10/556361110.db2.gz CJEGSUMCBJYORQ-CHWSQXEVSA-N 0 0 443.352 4.044 50 0 IIAARN COC[C@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819536 556361432 /nfs/dbraw/zinc/36/14/32/556361432.db2.gz LFZKVTQJZJMDRH-SFHVURJKSA-N 0 0 432.996 4.252 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000014083619 556363204 /nfs/dbraw/zinc/36/32/04/556363204.db2.gz WROFZBXAPVYOPO-UHFFFAOYSA-N 0 0 434.583 4.223 50 0 IIAARN Cc1ccccc1C(=O)NCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014085120 556364295 /nfs/dbraw/zinc/36/42/95/556364295.db2.gz WFZBKXMLWPQRMF-UHFFFAOYSA-N 0 0 438.531 4.236 50 0 IIAARN Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)[nH]c1Cc1ccccc1 ZINC000014095390 556367161 /nfs/dbraw/zinc/36/71/61/556367161.db2.gz 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COc1ccc([C@H](CNC(=O)c2sc3cccc(F)c3c2C)N2CCOCC2)cc1 ZINC000014181536 556382416 /nfs/dbraw/zinc/38/24/16/556382416.db2.gz XAHAVMFGHKCWED-IBGZPJMESA-N 0 0 428.529 4.161 50 0 IIAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)n1 ZINC000011974074 556382813 /nfs/dbraw/zinc/38/28/13/556382813.db2.gz ISOHIZGVDZTVBT-KRWDZBQOSA-N 0 0 430.483 4.043 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)s2)cs1 ZINC000014183788 556383695 /nfs/dbraw/zinc/38/36/95/556383695.db2.gz XXCXBBJPNPAMHI-KRWDZBQOSA-N 0 0 425.579 4.153 50 0 IIAARN CC(=O)N1CCCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000011999353 556385370 /nfs/dbraw/zinc/38/53/70/556385370.db2.gz AOAWTESZEKBTQM-UHFFFAOYSA-N 0 0 426.561 4.411 50 0 IIAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)CCn2ccc(C)n2)C3)c1 ZINC000012035024 556389475 /nfs/dbraw/zinc/38/94/75/556389475.db2.gz LZAZYVZOLHDHDG-FQEVSTJZSA-N 0 0 435.499 4.019 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1cc(Cl)sc1Cl ZINC000014199512 556390314 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BQSNXBYIXIKDKN-UHFFFAOYSA-N 0 0 430.448 4.489 50 0 IIAARN CCCCS(=O)(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000032926222 556655190 /nfs/dbraw/zinc/65/51/90/556655190.db2.gz ZKLYAGGVLLRWIC-UHFFFAOYSA-N 0 0 437.370 4.336 50 0 IIAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)cc1 ZINC000100706907 556655564 /nfs/dbraw/zinc/65/55/64/556655564.db2.gz ZGEFYBKAJXAZLE-LJQANCHMSA-N 0 0 425.330 4.330 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3cccc(C)c3)c2=O)cc1 ZINC000033006755 556655628 /nfs/dbraw/zinc/65/56/28/556655628.db2.gz JILMTPAEPGOUPW-UHFFFAOYSA-N 0 0 443.572 4.470 50 0 IIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(I)c2)N3)C1 ZINC000017086075 556657189 /nfs/dbraw/zinc/65/71/89/556657189.db2.gz POGOJDTWZSTBKT-VXJOIVPMSA-N 0 0 440.306 4.037 50 0 IIAARN C[C@H](NC(=S)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 ZINC000017094544 556657626 /nfs/dbraw/zinc/65/76/26/556657626.db2.gz IUUUJNUPJMUMNO-KRWDZBQOSA-N 0 0 425.579 4.213 50 0 IIAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCCc1c[nH]c2ccccc12 ZINC000011834930 556659192 /nfs/dbraw/zinc/65/91/92/556659192.db2.gz PPRPAWAOGXIRTR-UHFFFAOYSA-N 0 0 436.512 4.307 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@@H](C(=O)Nc4ccccc4)[C@H]3C2=O)cc1 ZINC000248076508 556661087 /nfs/dbraw/zinc/66/10/87/556661087.db2.gz BMQAUPASMPCXPU-WSOYEBOPSA-N 0 0 449.510 4.024 50 0 IIAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000011854352 556661772 /nfs/dbraw/zinc/66/17/72/556661772.db2.gz WCTGHBLFBJSLLW-UHFFFAOYSA-N 0 0 435.553 4.147 50 0 IIAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)CSCc4ccccc4)c(=O)c23)C1 ZINC000017097683 556662070 /nfs/dbraw/zinc/66/20/70/556662070.db2.gz SYIZKIAAYUDOPT-LBPRGKRZSA-N 0 0 431.608 4.249 50 0 IIAARN CCOc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013760 556663462 /nfs/dbraw/zinc/66/34/62/556663462.db2.gz BFVMMQSITHXOLY-UHFFFAOYSA-N 0 0 432.480 4.247 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1-c1noc(C(C)(C)C)n1 ZINC000033013436 556664124 /nfs/dbraw/zinc/66/41/24/556664124.db2.gz KAFLODUHVTUJLA-UHFFFAOYSA-N 0 0 435.933 4.175 50 0 IIAARN CCn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1sccc1C(=O)OC ZINC000017100739 556665705 /nfs/dbraw/zinc/66/57/05/556665705.db2.gz QUEPCHJOOJZWLF-UHFFFAOYSA-N 0 0 436.603 4.390 50 0 IIAARN CCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000004599472 556666990 /nfs/dbraw/zinc/66/69/90/556666990.db2.gz WCBYTSIBTNDSFF-KROKWJMESA-N 0 0 425.569 4.332 50 0 IIAARN COc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc(OC)c1OC ZINC000017138251 556669370 /nfs/dbraw/zinc/66/93/70/556669370.db2.gz BDBMVBSYUSJGDA-UHFFFAOYSA-N 0 0 444.487 4.401 50 0 IIAARN Cc1cccc2sc(NC(=O)c3cccn(OCc4cccc(Cl)c4)c3=O)nc21 ZINC000017135826 556669405 /nfs/dbraw/zinc/66/94/05/556669405.db2.gz PLOJYGLONVAXFI-UHFFFAOYSA-N 0 0 425.897 4.301 50 0 IIAARN O=C(c1cccc2ccccc21)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914204 556673717 /nfs/dbraw/zinc/67/37/17/556673717.db2.gz URGKTYRFQJFDED-OAHLLOKOSA-N 0 0 448.338 4.025 50 0 IIAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCC[S@@](=O)c1ccccc1 ZINC000032931573 556674542 /nfs/dbraw/zinc/67/45/42/556674542.db2.gz QMIPFKRFDUDGGJ-LJAQVGFWSA-N 0 0 430.595 4.112 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)c3cccnc3SC(F)F)CC2)c(OC)c1 ZINC000011918752 556675069 /nfs/dbraw/zinc/67/50/69/556675069.db2.gz NYKPGBIASBOQAA-UHFFFAOYSA-N 0 0 436.480 4.352 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100799117 556675374 /nfs/dbraw/zinc/67/53/74/556675374.db2.gz IUBITZYLXRRGMJ-BDTNDASRSA-N 0 0 434.879 4.400 50 0 IIAARN Cc1nc2ccc3nc(NC(=O)CCS(=O)(=O)Cc4ccccc4)sc3c2s1 ZINC000010620388 556676372 /nfs/dbraw/zinc/67/63/72/556676372.db2.gz FSTMGCOCPVSISO-UHFFFAOYSA-N 0 0 431.564 4.158 50 0 IIAARN O=C(CCN1C(=O)CSc2ccccc21)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000032931855 556676990 /nfs/dbraw/zinc/67/69/90/556676990.db2.gz GOIJORLTMYIKKB-XMMPIXPASA-N 0 0 445.544 4.012 50 0 IIAARN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032936084 556678061 /nfs/dbraw/zinc/67/80/61/556678061.db2.gz UBTXVHUDKDWFEJ-UHFFFAOYSA-N 0 0 438.413 4.092 50 0 IIAARN CC(C)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011997132 556679148 /nfs/dbraw/zinc/67/91/48/556679148.db2.gz BBNFBPSILRKVSW-SFHVURJKSA-N 0 0 439.537 4.411 50 0 IIAARN C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]21 ZINC000017986563 556680630 /nfs/dbraw/zinc/68/06/30/556680630.db2.gz YGJHETJKGOEWDE-ONTRVFCTSA-N 0 0 437.879 4.081 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1C ZINC000017976320 556680720 /nfs/dbraw/zinc/68/07/20/556680720.db2.gz GTXKKADMKMCGMQ-HNKPZJSLSA-N 0 0 431.488 4.045 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)cc1 ZINC000033020745 556685800 /nfs/dbraw/zinc/68/58/00/556685800.db2.gz RJPZLMRRKFNQIL-OFNKIYASSA-N 0 0 435.616 4.369 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000018247645 556688103 /nfs/dbraw/zinc/68/81/03/556688103.db2.gz QYDHLFSULMPJBS-KDURUIRLSA-N 0 0 442.309 4.390 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000072313059 556688245 /nfs/dbraw/zinc/68/82/45/556688245.db2.gz RMLLUUJOVSQEMH-QHCPKHFHSA-N 0 0 438.549 4.367 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018247510 556688265 /nfs/dbraw/zinc/68/82/65/556688265.db2.gz REPPSLWYXGSPOP-OALUTQOASA-N 0 0 447.516 4.391 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000046141517 556692967 /nfs/dbraw/zinc/69/29/67/556692967.db2.gz WUPJTMWJTQIGIY-UHFFFAOYSA-N 0 0 443.525 4.434 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N[C@H](C)Cc1ccco1 ZINC000046141543 556693291 /nfs/dbraw/zinc/69/32/91/556693291.db2.gz VOEBZXQOWXDJCD-GFCCVEGCSA-N 0 0 447.513 4.415 50 0 IIAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(N(C)C)c2)n1-c1ccccc1 ZINC000033025641 556700771 /nfs/dbraw/zinc/70/07/71/556700771.db2.gz BKPBRVUWQHABMH-GOSISDBHSA-N 0 0 435.597 4.493 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)NCCCn1c2ncccc2nc1C(F)(F)F ZINC000033025584 556701145 /nfs/dbraw/zinc/70/11/45/556701145.db2.gz UUONSALOUFRVSB-UHFFFAOYSA-N 0 0 427.814 4.324 50 0 IIAARN Cn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000033025921 556702020 /nfs/dbraw/zinc/70/20/20/556702020.db2.gz QDEPZDRYSCNOMO-UHFFFAOYSA-N 0 0 434.446 4.076 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2C ZINC000033025878 556702036 /nfs/dbraw/zinc/70/20/36/556702036.db2.gz VFGBUZGNNDNWQR-UHFFFAOYSA-N 0 0 430.483 4.246 50 0 IIAARN Cc1ccc(C(=O)NCCc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)cc1F ZINC000033026147 556702146 /nfs/dbraw/zinc/70/21/46/556702146.db2.gz BYOFTVQGISDWDX-UHFFFAOYSA-N 0 0 448.473 4.385 50 0 IIAARN CCCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032327 556712894 /nfs/dbraw/zinc/71/28/94/556712894.db2.gz RGYAITRHHVYWLR-UHFFFAOYSA-N 0 0 428.489 4.038 50 0 IIAARN O=C(c1ccccc1)[C@@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000019225556 556716649 /nfs/dbraw/zinc/71/66/49/556716649.db2.gz PPMGJXYHVKSBQZ-LJQANCHMSA-N 0 0 436.581 4.117 50 0 IIAARN Cc1cc(C)n(-c2ccc(SCC(=O)Nc3ccc(OC(F)F)c(Cl)c3)nn2)n1 ZINC000011140033 556720002 /nfs/dbraw/zinc/72/00/02/556720002.db2.gz CFWXNTVSDAHIFI-UHFFFAOYSA-N 0 0 439.875 4.265 50 0 IIAARN Cc1ccccc1S(=O)(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038256 556724669 /nfs/dbraw/zinc/72/46/69/556724669.db2.gz XTQGCKGYVUTNFY-UHFFFAOYSA-N 0 0 433.533 4.186 50 0 IIAARN Cc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1 ZINC000060352272 556729448 /nfs/dbraw/zinc/72/94/48/556729448.db2.gz YMHPGCKINHYLGH-UHFFFAOYSA-N 0 0 426.563 4.080 50 0 IIAARN O=C(OCc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000011150122 556731298 /nfs/dbraw/zinc/73/12/98/556731298.db2.gz MVIZSCYPPSPCNC-UHFFFAOYSA-N 0 0 430.913 4.030 50 0 IIAARN CNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 ZINC000019296780 556734545 /nfs/dbraw/zinc/73/45/45/556734545.db2.gz VTOZLVGBMCRREH-AWEZNQCLSA-N 0 0 427.595 4.169 50 0 IIAARN O=C(c1ccccc1CCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019309175 556735277 /nfs/dbraw/zinc/73/52/77/556735277.db2.gz KHDGNHSCQGKFLJ-UHFFFAOYSA-N 0 0 428.532 4.159 50 0 IIAARN CCOC(=O)COc1ccc(CC)cc1C(=O)c1ccn2nc(-c3ccccc3)cc2n1 ZINC000013828393 556744723 /nfs/dbraw/zinc/74/47/23/556744723.db2.gz UZGOBXJQGKGAQR-UHFFFAOYSA-N 0 0 429.476 4.132 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)CC1 ZINC000033048985 556745868 /nfs/dbraw/zinc/74/58/68/556745868.db2.gz UDJLMULRJZFJKR-UHFFFAOYSA-N 0 0 449.576 4.423 50 0 IIAARN CC[C@@H](C(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000013854891 556746715 /nfs/dbraw/zinc/74/67/15/556746715.db2.gz OIKIIUAHSXDXRI-HSZRJFAPSA-N 0 0 447.510 4.118 50 0 IIAARN O=C(Nc1nc2c(s1)C(=O)CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000060362031 556747236 /nfs/dbraw/zinc/74/72/36/556747236.db2.gz SRZBZRWPVLCWFE-UHFFFAOYSA-N 0 0 438.958 4.041 50 0 IIAARN Cc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000072333028 556749341 /nfs/dbraw/zinc/74/93/41/556749341.db2.gz CMRGMMBEMKHCTH-KRWDZBQOSA-N 0 0 425.286 4.143 50 0 IIAARN COc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1 ZINC000072332563 556750716 /nfs/dbraw/zinc/75/07/16/556750716.db2.gz DXYFMXFGMVVFKS-UHFFFAOYSA-N 0 0 431.477 4.269 50 0 IIAARN Cc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4cccc(Cl)c4)C(=O)N3C2)cc1C ZINC000072332977 556751352 /nfs/dbraw/zinc/75/13/52/556751352.db2.gz BADZNUDSZYGWLX-SFHVURJKSA-N 0 0 428.945 4.021 50 0 IIAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCC(=O)N(C1=CCCCC1)C1CC1 ZINC000011156319 556752268 /nfs/dbraw/zinc/75/22/68/556752268.db2.gz LSKIANIBVLQBIU-SFHVURJKSA-N 0 0 434.945 4.135 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000058156545 556762722 /nfs/dbraw/zinc/76/27/22/556762722.db2.gz GRPXTACKNMVNRW-UHFFFAOYSA-N 0 0 429.171 4.440 50 0 IIAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1 ZINC000058157900 556763233 /nfs/dbraw/zinc/76/32/33/556763233.db2.gz RLRDPJIOLQNDSW-LBPRGKRZSA-N 0 0 431.279 4.442 50 0 IIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN(Cc1ccc(F)cc1)C1CC1 ZINC000058160654 556764694 /nfs/dbraw/zinc/76/46/94/556764694.db2.gz JDTSAJDLFWROSV-UHFFFAOYSA-N 0 0 429.495 4.243 50 0 IIAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC(n2nnc3c2CCCC3)CC1 ZINC000058167756 556767088 /nfs/dbraw/zinc/76/70/88/556767088.db2.gz FDIYJWGCIDWONY-UHFFFAOYSA-N 0 0 430.618 4.097 50 0 IIAARN COc1ccc([C@H]2CCCCCN2CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169950 556767709 /nfs/dbraw/zinc/76/77/09/556767709.db2.gz PQSXDVDBONCONJ-QPPBQGQZSA-N 0 0 443.494 4.315 50 0 IIAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)N1CCOCC1 ZINC000001132179 556767805 /nfs/dbraw/zinc/76/78/05/556767805.db2.gz KJEDGTWSQILDTF-MDZDMXLPSA-N 0 0 438.325 4.174 50 0 IIAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1SCc1ccccc1 ZINC000058172457 556768548 /nfs/dbraw/zinc/76/85/48/556768548.db2.gz PNQUJBGLLNNKEW-UHFFFAOYSA-N 0 0 433.577 4.445 50 0 IIAARN Cc1ncc(CN(C)C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)s1 ZINC000058264876 556776235 /nfs/dbraw/zinc/77/62/35/556776235.db2.gz VBLODTMODVZWSW-UHFFFAOYSA-N 0 0 442.472 4.236 50 0 IIAARN CN(CCCNc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000058267981 556776604 /nfs/dbraw/zinc/77/66/04/556776604.db2.gz MMMCLZRZJNJRDZ-UHFFFAOYSA-N 0 0 441.528 4.201 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1 ZINC000058282270 556777449 /nfs/dbraw/zinc/77/74/49/556777449.db2.gz ZHCDOWWCKWTOHN-MHECFPHRSA-N 0 0 433.614 4.022 50 0 IIAARN COc1cc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c(C(=O)N2CCCCC2)cc1OC ZINC000058305001 556778830 /nfs/dbraw/zinc/77/88/30/556778830.db2.gz OQTCRJZXQTYBEZ-XLIONFOSSA-N 0 0 447.576 4.047 50 0 IIAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)ccc1OC ZINC000058310090 556779528 /nfs/dbraw/zinc/77/95/28/556779528.db2.gz KGSGWOYWOCHKNK-FQEVSTJZSA-N 0 0 430.570 4.045 50 0 IIAARN C[C@H](C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21)S(=O)(=O)c1ccc(F)cc1 ZINC000058357014 556782661 /nfs/dbraw/zinc/78/26/61/556782661.db2.gz HKCIHTYKVVJWFH-GFCCVEGCSA-N 0 0 447.488 4.142 50 0 IIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000058426608 556787921 /nfs/dbraw/zinc/78/79/21/556787921.db2.gz DBRDZSPJDUCMIN-UGKGYDQZSA-N 0 0 428.410 4.359 50 0 IIAARN COC(=O)[C@@H](NC(=O)c1cc2ccc(F)cc2nc1C)c1ccc(Br)cc1 ZINC000058429404 556787972 /nfs/dbraw/zinc/78/79/72/556787972.db2.gz FSNQGMCFIGXOSN-SFHVURJKSA-N 0 0 431.261 4.089 50 0 IIAARN O=S(=O)(Cc1nc(-c2ccccc2Cl)no1)Cc1cc(Cl)cc2c1OCOC2 ZINC000058439332 556788599 /nfs/dbraw/zinc/78/85/99/556788599.db2.gz PERGUTMOHMZMFK-UHFFFAOYSA-N 0 0 441.292 4.025 50 0 IIAARN COc1cc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)ccc1N1CCCC1=O ZINC000058537285 556790075 /nfs/dbraw/zinc/79/00/75/556790075.db2.gz AUOUCOYPYBCGGA-UHFFFAOYSA-N 0 0 446.507 4.118 50 0 IIAARN CCc1c(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cnn1-c1ccc(F)cc1 ZINC000059287054 556797052 /nfs/dbraw/zinc/79/70/52/556797052.db2.gz QRRNUWLNSBKGOK-UHFFFAOYSA-N 0 0 448.420 4.427 50 0 IIAARN Cc1cccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)n1 ZINC000059331456 556797992 /nfs/dbraw/zinc/79/79/92/556797992.db2.gz XDRGGFXZBHKZON-QFIPXVFZSA-N 0 0 437.613 4.393 50 0 IIAARN Cc1cc(C)c(CNC(=O)c2ccccc2Oc2cccc(Br)c2)c(=O)[nH]1 ZINC000059363592 556798760 /nfs/dbraw/zinc/79/87/60/556798760.db2.gz PQRWPLVYSFQMTN-UHFFFAOYSA-N 0 0 427.298 4.477 50 0 IIAARN O=C1c2cccc(N3CCN(Cc4ccoc4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000059433879 556801026 /nfs/dbraw/zinc/80/10/26/556801026.db2.gz VTHPGGMWOMIRTD-UHFFFAOYSA-N 0 0 435.911 4.051 50 0 IIAARN COc1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc(OC)c1 ZINC000002629522 556801148 /nfs/dbraw/zinc/80/11/48/556801148.db2.gz AXESESSGQGYZDL-UHFFFAOYSA-N 0 0 432.432 4.308 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000002651080 556802237 /nfs/dbraw/zinc/80/22/37/556802237.db2.gz PRTOPMDBMNFADS-UHFFFAOYSA-N 0 0 444.940 4.470 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000002658761 556802771 /nfs/dbraw/zinc/80/27/71/556802771.db2.gz FCAKNIPLFRFPOF-VMPITWQZSA-N 0 0 425.815 4.454 50 0 IIAARN COc1ccc(/C=C/C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(OC)cc2)cc1 ZINC000003171014 556803997 /nfs/dbraw/zinc/80/39/97/556803997.db2.gz CQHRZUSRNHCVBW-CXUHLZMHSA-N 0 0 442.471 4.004 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000033053377 556804211 /nfs/dbraw/zinc/80/42/11/556804211.db2.gz LQBMBCLHLOFVOG-LJQANCHMSA-N 0 0 435.634 4.160 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1OC ZINC000003202130 556804326 /nfs/dbraw/zinc/80/43/26/556804326.db2.gz JNXDAYQPSWWKGK-XBXARRHUSA-N 0 0 436.430 4.211 50 0 IIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCn2cncn2)c1 ZINC000059766845 556804381 /nfs/dbraw/zinc/80/43/81/556804381.db2.gz YPERQWASZGAYNZ-IBGZPJMESA-N 0 0 428.492 4.430 50 0 IIAARN CCOC(=O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000059928484 556805536 /nfs/dbraw/zinc/80/55/36/556805536.db2.gz RJZUERCRKCNVFY-UHFFFAOYSA-N 0 0 426.782 4.090 50 0 IIAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003221697 556805826 /nfs/dbraw/zinc/80/58/26/556805826.db2.gz RUJOCNXNVJDQIK-KPKJPENVSA-N 0 0 449.370 4.276 50 0 IIAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc4c3OCCO4)c(C(F)(F)F)c2)n1 ZINC000060155205 556806941 /nfs/dbraw/zinc/80/69/41/556806941.db2.gz RIHZIGIJSAXSOB-UHFFFAOYSA-N 0 0 431.414 4.209 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncnc3ccccc31)CCCCC2 ZINC000003260401 556807390 /nfs/dbraw/zinc/80/73/90/556807390.db2.gz CYLUFMFDWWOPED-UHFFFAOYSA-N 0 0 427.551 4.478 50 0 IIAARN O=C(/C=C/c1cccc(Br)c1)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003283215 556808409 /nfs/dbraw/zinc/80/84/09/556808409.db2.gz ZIHDBLCSPQYDFR-RUDMXATFSA-N 0 0 426.213 4.246 50 0 IIAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003308892 556809497 /nfs/dbraw/zinc/80/94/97/556809497.db2.gz JAOUCMZQNAREOL-UHFFFAOYSA-N 0 0 445.928 4.398 50 0 IIAARN CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Br)c1OC(C)=O ZINC000003361748 556811819 /nfs/dbraw/zinc/81/18/19/556811819.db2.gz CKNDOCHWRRDNEP-MDWZMJQESA-N 0 0 436.283 4.179 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000003503994 556816856 /nfs/dbraw/zinc/81/68/56/556816856.db2.gz PXVBRNHUFHTWNV-NRFANRHFSA-N 0 0 431.521 4.451 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000033067910 556820300 /nfs/dbraw/zinc/82/03/00/556820300.db2.gz BOYODBNZUDPULI-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cc1nc2ccccc2nc1COC(=O)C1(c2cccc(Br)c2)CCOCC1 ZINC000062395837 556820904 /nfs/dbraw/zinc/82/09/04/556820904.db2.gz SVLPMKSDTSNXMT-UHFFFAOYSA-N 0 0 441.325 4.492 50 0 IIAARN COC(=O)c1ccccc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000064591732 556825469 /nfs/dbraw/zinc/82/54/69/556825469.db2.gz GMWKGJLYWULSDM-UHFFFAOYSA-N 0 0 446.463 4.100 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064661927 556825703 /nfs/dbraw/zinc/82/57/03/556825703.db2.gz SXYABHLFZJLTOA-VWLOTQADSA-N 0 0 429.545 4.434 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064662095 556825955 /nfs/dbraw/zinc/82/59/55/556825955.db2.gz ZHIMRABCIFKCJO-DEOSSOPVSA-N 0 0 437.565 4.185 50 0 IIAARN CCCCc1cc2c(cc1O[C@@H](CC)C(=O)OCC)occ(-n1ccccc1=O)c2=O ZINC000005467972 556827002 /nfs/dbraw/zinc/82/70/02/556827002.db2.gz RJGIBZLYNNAYQW-IBGZPJMESA-N 0 0 425.481 4.007 50 0 biogenic IIAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000064958734 556829771 /nfs/dbraw/zinc/82/97/71/556829771.db2.gz XTPMOZMDQHGNBC-IBGZPJMESA-N 0 0 447.489 4.207 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1 ZINC000064958703 556829781 /nfs/dbraw/zinc/82/97/81/556829781.db2.gz JWBJDORDUOKGRH-OAQYLSRUSA-N 0 0 443.526 4.377 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3ccccc3F)cc21 ZINC000065002787 556831064 /nfs/dbraw/zinc/83/10/64/556831064.db2.gz SJFVGYXMZACVHS-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)cc32)cc1 ZINC000065003087 556831185 /nfs/dbraw/zinc/83/11/85/556831185.db2.gz ZMLQDBKKPILFEC-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccccc3Cl)cc21 ZINC000065003253 556831476 /nfs/dbraw/zinc/83/14/76/556831476.db2.gz RGPDWQSEOLOFMS-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000062580151 556835697 /nfs/dbraw/zinc/83/56/97/556835697.db2.gz GBJDYUVNNJJQJR-HSZRJFAPSA-N 0 0 432.524 4.449 50 0 IIAARN CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)[C@H](C)CC)nc1C(F)(F)F ZINC000019640454 556837105 /nfs/dbraw/zinc/83/71/05/556837105.db2.gz UDVVZKBZXCDPKV-ANYFNZRUSA-N 0 0 444.479 4.225 50 0 IIAARN Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2cnn(C3CCCC3)c2n1 ZINC000072405021 556839460 /nfs/dbraw/zinc/83/94/60/556839460.db2.gz QSBSENWEVHCILD-JXMROGBWSA-N 0 0 429.568 4.326 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000019679143 556841461 /nfs/dbraw/zinc/84/14/61/556841461.db2.gz UMCKGRIFPBKTTL-RUZDIDTESA-N 0 0 447.441 4.083 50 0 IIAARN CCOC(=O)c1cc(O[C@@H](C)C(=O)Nc2ccccc2SC)cc(C(=O)OCC)c1 ZINC000011212092 556842291 /nfs/dbraw/zinc/84/22/91/556842291.db2.gz BHJBGTHXWLRNCJ-AWEZNQCLSA-N 0 0 431.510 4.168 50 0 IIAARN Cc1cccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000067340573 556842545 /nfs/dbraw/zinc/84/25/45/556842545.db2.gz MEHCNWYGZRPBDG-UHFFFAOYSA-N 0 0 425.456 4.469 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)C12CC3CC(CC(C3)C1)C2 ZINC000008824322 556848993 /nfs/dbraw/zinc/84/89/93/556848993.db2.gz XUAJWVYUSKCKPV-DSINJZSRSA-N 0 0 443.547 4.213 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1 ZINC000008826104 556849173 /nfs/dbraw/zinc/84/91/73/556849173.db2.gz SHQGSAXWZCOGNZ-UHFFFAOYSA-N 0 0 447.538 4.052 50 0 IIAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071371 556852078 /nfs/dbraw/zinc/85/20/78/556852078.db2.gz BNTLSWVOCNLKJK-MRXNPFEDSA-N 0 0 427.346 4.167 50 0 IIAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008939602 556853107 /nfs/dbraw/zinc/85/31/07/556853107.db2.gz DAEBEVCQNPXHGO-UHFFFAOYSA-N 0 0 435.592 4.169 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(OC)cc3OC)C2)s1 ZINC000033078259 556853294 /nfs/dbraw/zinc/85/32/94/556853294.db2.gz NXVKTBQALOSGFO-CQSZACIVSA-N 0 0 426.542 4.126 50 0 IIAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087841 556855563 /nfs/dbraw/zinc/85/55/63/556855563.db2.gz YOBOIRIUWBRVRZ-MRXNPFEDSA-N 0 0 443.594 4.221 50 0 IIAARN CCn1c2ccccc2nc1N1CCN(C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000033106436 556858944 /nfs/dbraw/zinc/85/89/44/556858944.db2.gz RDCMXDLGMXGIJT-UHFFFAOYSA-N 0 0 443.935 4.081 50 0 IIAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NC4CCCCC4)C3)s2)cc1 ZINC000033113165 556859794 /nfs/dbraw/zinc/85/97/94/556859794.db2.gz MLMJYHQAIYKUHP-OAHLLOKOSA-N 0 0 443.573 4.021 50 0 IIAARN Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccccc2C)cc1 ZINC000033126222 556867105 /nfs/dbraw/zinc/86/71/05/556867105.db2.gz ICAWDGXGHKORLS-UHFFFAOYSA-N 0 0 432.592 4.001 50 0 IIAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCC2)cc1OC ZINC000004672938 556868115 /nfs/dbraw/zinc/86/81/15/556868115.db2.gz HFRPXSIAGGKMGQ-XMMPIXPASA-N 0 0 428.573 4.471 50 0 IIAARN Cc1ccc(CCNC(=O)CNC(=S)N(Cc2cccs2)C2CCCCC2)cc1 ZINC000004672116 556869822 /nfs/dbraw/zinc/86/98/22/556869822.db2.gz GKLZNYGRMPHLAA-UHFFFAOYSA-N 0 0 429.655 4.425 50 0 IIAARN CCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138524 556871654 /nfs/dbraw/zinc/87/16/54/556871654.db2.gz NROFIPKLIVDERA-UHFFFAOYSA-N 0 0 441.578 4.482 50 0 IIAARN CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000072414597 556874557 /nfs/dbraw/zinc/87/45/57/556874557.db2.gz VDMDAURHBPBHJE-UHFFFAOYSA-N 0 0 432.723 4.445 50 0 IIAARN COc1cc(C(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc(OC)c1OC ZINC000033139581 556874579 /nfs/dbraw/zinc/87/45/79/556874579.db2.gz KHLJYXMBCMSWCU-UHFFFAOYSA-N 0 0 437.496 4.091 50 0 IIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)cc2C1=O ZINC000011224699 556875392 /nfs/dbraw/zinc/87/53/92/556875392.db2.gz WVVBFYNLPWHJRE-XPIZARPCSA-N 0 0 448.519 4.036 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(-n4cnc(NC(=O)C(C)C)c4)cc3)CC2)c1 ZINC000033140776 556876841 /nfs/dbraw/zinc/87/68/41/556876841.db2.gz UTZZMSHXQGFZEK-UHFFFAOYSA-N 0 0 445.567 4.046 50 0 IIAARN O=C(NCc1ccccc1F)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000526052650 556879892 /nfs/dbraw/zinc/87/98/92/556879892.db2.gz XEILEOCVVYHEJB-UHFFFAOYSA-N 0 0 432.499 4.110 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2c3cc(OC)c(OC)cc3[nH]c21 ZINC000033172824 556883198 /nfs/dbraw/zinc/88/31/98/556883198.db2.gz PWOCBQCCKCUOPF-UHFFFAOYSA-N 0 0 438.509 4.176 50 0 IIAARN O=C(CSc1nccnc1N1CCSCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000033170122 556885494 /nfs/dbraw/zinc/88/54/94/556885494.db2.gz SEBLKXUVQGBYGH-UHFFFAOYSA-N 0 0 448.923 4.433 50 0 IIAARN CCOc1cc(Br)c(CC(=O)NCc2ccc(COC)cc2)cc1OCC ZINC000033190615 556887278 /nfs/dbraw/zinc/88/72/78/556887278.db2.gz ANSHGXOPNWECOC-UHFFFAOYSA-N 0 0 436.346 4.252 50 0 IIAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249387 556889131 /nfs/dbraw/zinc/88/91/31/556889131.db2.gz FSFNOBQCONFHOY-UHFFFAOYSA-N 0 0 442.512 4.232 50 0 IIAARN Cc1ccccc1S(=O)(=O)c1c(C(=O)N2CCSCC2)cnc2ccc(Cl)cc21 ZINC000033249445 556889302 /nfs/dbraw/zinc/88/93/02/556889302.db2.gz QNURYGGRSOHMFZ-UHFFFAOYSA-N 0 0 446.981 4.218 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1F ZINC000033249418 556889361 /nfs/dbraw/zinc/88/93/61/556889361.db2.gz XRYRJGYTTDFRTJ-UHFFFAOYSA-N 0 0 430.476 4.280 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3ccc(-c4noc(C5CCCC5)n4)cc3)CC2)c1 ZINC000033254359 556890379 /nfs/dbraw/zinc/89/03/79/556890379.db2.gz PMTYRHLGZQTPAA-UHFFFAOYSA-N 0 0 432.524 4.365 50 0 IIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000033254455 556890568 /nfs/dbraw/zinc/89/05/68/556890568.db2.gz XPTRBFRTXVNOCT-UHFFFAOYSA-N 0 0 446.507 4.114 50 0 IIAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033250398 556891347 /nfs/dbraw/zinc/89/13/47/556891347.db2.gz UQSBXUDXVZLRBZ-UHFFFAOYSA-N 0 0 446.935 4.111 50 0 IIAARN CCOC(=O)c1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 ZINC000033250455 556891490 /nfs/dbraw/zinc/89/14/90/556891490.db2.gz ABBAMZSFJWKEQZ-UHFFFAOYSA-N 0 0 439.537 4.330 50 0 IIAARN Cc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)c2c1 ZINC000033251226 556892111 /nfs/dbraw/zinc/89/21/11/556892111.db2.gz ZTPZETMPQVJUEM-CQSZACIVSA-N 0 0 442.441 4.125 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251915 556892298 /nfs/dbraw/zinc/89/22/98/556892298.db2.gz OHBFYGKXOWXPHK-SFHVURJKSA-N 0 0 427.353 4.484 50 0 IIAARN COC(=O)c1ccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1 ZINC000033252136 556892441 /nfs/dbraw/zinc/89/24/41/556892441.db2.gz VFNBCJRPNRWOOB-UHFFFAOYSA-N 0 0 435.528 4.285 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)c(C)c1 ZINC000033252101 556892495 /nfs/dbraw/zinc/89/24/95/556892495.db2.gz ZNBHYVAIZHWKPK-UHFFFAOYSA-N 0 0 448.592 4.120 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000033252406 556892875 /nfs/dbraw/zinc/89/28/75/556892875.db2.gz CAPQLVIXOKHEIS-INIZCTEOSA-N 0 0 439.899 4.472 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc(Cl)s1 ZINC000072193841 556900469 /nfs/dbraw/zinc/90/04/69/556900469.db2.gz JFTWVWXMZGAIES-JOCHJYFZSA-N 0 0 441.892 4.138 50 0 IIAARN O=C(Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)C1CC1 ZINC000019782508 556914222 /nfs/dbraw/zinc/91/42/22/556914222.db2.gz JVJXMQJDJASCFA-UHFFFAOYSA-N 0 0 425.533 4.331 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2Cc2ccco2)cc1 ZINC000019810633 556918888 /nfs/dbraw/zinc/91/88/88/556918888.db2.gz PQVZMMPGNZFYCB-UHFFFAOYSA-N 0 0 438.484 4.465 50 0 IIAARN COc1cccc(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1OC ZINC000019823822 556925105 /nfs/dbraw/zinc/92/51/05/556925105.db2.gz LBLIWINHBNQTFL-UHFFFAOYSA-N 0 0 432.520 4.454 50 0 IIAARN COc1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1OC ZINC000019826566 556925918 /nfs/dbraw/zinc/92/59/18/556925918.db2.gz LMWSOXAQNKIYNJ-UHFFFAOYSA-N 0 0 431.315 4.083 50 0 IIAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019858120 556931813 /nfs/dbraw/zinc/93/18/13/556931813.db2.gz PIAKKKXFIKOBNX-OAQYLSRUSA-N 0 0 428.598 4.300 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000019860940 556933405 /nfs/dbraw/zinc/93/34/05/556933405.db2.gz CUGQEAJVMOKABX-LJQANCHMSA-N 0 0 434.989 4.446 50 0 IIAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)C1CCCCC1 ZINC000019939147 556952894 /nfs/dbraw/zinc/95/28/94/556952894.db2.gz SQGPLQKPOGEJRP-HSZRJFAPSA-N 0 0 443.469 4.431 50 0 IIAARN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962173 556955862 /nfs/dbraw/zinc/95/58/62/556955862.db2.gz IATANMOJGUGQJQ-JOCHJYFZSA-N 0 0 446.457 4.474 50 0 IIAARN CCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019996192 556957222 /nfs/dbraw/zinc/95/72/22/556957222.db2.gz CFKQXVOZMSGBCR-UHFFFAOYSA-N 0 0 430.599 4.430 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000020003701 556957693 /nfs/dbraw/zinc/95/76/93/556957693.db2.gz OXHIAKDROVUJQL-UHFFFAOYSA-N 0 0 431.517 4.220 50 0 IIAARN CCOc1cc(/C=C/c2ccc(C(=O)OC)cn2)ccc1OCC(=O)Nc1ccccc1 ZINC000036394669 556972146 /nfs/dbraw/zinc/97/21/46/556972146.db2.gz POPRUWGUVKFIHJ-FMIVXFBMSA-N 0 0 432.476 4.455 50 0 IIAARN COc1ccc(CNC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)cc1 ZINC000033264766 556974751 /nfs/dbraw/zinc/97/47/51/556974751.db2.gz XONLECNRNUKLNF-UHFFFAOYSA-N 0 0 442.519 4.245 50 0 biogenic IIAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CCN(C)C3 ZINC000020057496 556975037 /nfs/dbraw/zinc/97/50/37/556975037.db2.gz FVLLJGVMKUGIFR-UHFFFAOYSA-N 0 0 441.607 4.024 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccco2)c1 ZINC000033265029 556975081 /nfs/dbraw/zinc/97/50/81/556975081.db2.gz LJSIYZKWGSHHSK-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)cc1 ZINC000033265285 556975240 /nfs/dbraw/zinc/97/52/40/556975240.db2.gz AVFYEMYEWJOZGN-UHFFFAOYSA-N 0 0 447.564 4.033 50 0 IIAARN CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095660 556979471 /nfs/dbraw/zinc/97/94/71/556979471.db2.gz UQNQNBFRMNGKNK-HSZRJFAPSA-N 0 0 447.535 4.396 50 0 IIAARN COC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccn3)nc3ccccc31)OCO2 ZINC000033267220 556980515 /nfs/dbraw/zinc/98/05/15/556980515.db2.gz MYUULTLQGUPSRH-UHFFFAOYSA-N 0 0 427.416 4.064 50 0 IIAARN Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000020103566 556980986 /nfs/dbraw/zinc/98/09/86/556980986.db2.gz XDKLCUMEDHJPOV-JOCHJYFZSA-N 0 0 425.492 4.165 50 0 IIAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)n2c3ccccc3nc21 ZINC000020103427 556981126 /nfs/dbraw/zinc/98/11/26/556981126.db2.gz SEVQNGSQWVQQCF-GOSISDBHSA-N 0 0 446.429 4.008 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1 ZINC000097086963 556983138 /nfs/dbraw/zinc/98/31/38/556983138.db2.gz FBTPWFAOVIKVEZ-LJQANCHMSA-N 0 0 436.537 4.450 50 0 IIAARN COC(=O)c1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097096811 556984343 /nfs/dbraw/zinc/98/43/43/556984343.db2.gz KGGIIHVNBPSRNB-GOSISDBHSA-N 0 0 436.855 4.312 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1C ZINC000033268545 556985114 /nfs/dbraw/zinc/98/51/14/556985114.db2.gz LWYBQJPQLMREDL-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN O=c1c([C@@H]2[NH2+]CCc3ccccc32)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000020149643 556990950 /nfs/dbraw/zinc/99/09/50/556990950.db2.gz AZYWGZYFBRKNNA-JOCHJYFZSA-N 0 0 427.529 4.298 50 0 IIAARN Cc1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000097151868 556993006 /nfs/dbraw/zinc/99/30/06/556993006.db2.gz BWPQBJSTXHFLIC-UHFFFAOYSA-N 0 0 433.299 4.101 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1-c1ccncc1 ZINC000010677644 556997629 /nfs/dbraw/zinc/99/76/29/556997629.db2.gz UPNGZOADAOOVSD-UHFFFAOYSA-N 0 0 443.532 4.322 50 0 IIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1Cl ZINC000010679681 557000701 /nfs/dbraw/zinc/00/07/01/557000701.db2.gz NIJOWOHWAHFOCZ-UHFFFAOYSA-N 0 0 441.380 4.193 50 0 IIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000020248899 557003427 /nfs/dbraw/zinc/00/34/27/557003427.db2.gz XYUZIWPTKOBPND-NRFANRHFSA-N 0 0 439.487 4.333 50 0 IIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000020248896 557003479 /nfs/dbraw/zinc/00/34/79/557003479.db2.gz XYUZIWPTKOBPND-OAQYLSRUSA-N 0 0 439.487 4.333 50 0 IIAARN CN(CCOc1ccccc1)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000020254830 557003696 /nfs/dbraw/zinc/00/36/96/557003696.db2.gz CQXPVGZEVCIYPA-UHFFFAOYSA-N 0 0 448.592 4.221 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(C)no1)CN(Cc1ccccc1)CC2 ZINC000023128089 557012014 /nfs/dbraw/zinc/01/20/14/557012014.db2.gz UWMAUJQZOLJIPG-UHFFFAOYSA-N 0 0 425.510 4.032 50 0 IIAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(NCCN2CCOCC2)n1 ZINC000020391444 557012720 /nfs/dbraw/zinc/01/27/20/557012720.db2.gz SRJVGUCGFSOLHN-UHFFFAOYSA-N 0 0 443.642 4.318 50 0 IIAARN CC(C)Sc1nc2sc3c(c2c(NCCCN2CCOCC2)n1)CC(C)(C)OC3 ZINC000020392805 557013047 /nfs/dbraw/zinc/01/30/47/557013047.db2.gz MVGJDBSLCRMTOT-UHFFFAOYSA-N 0 0 436.647 4.177 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NC1CCCCC1 ZINC000045971501 557014583 /nfs/dbraw/zinc/01/45/83/557014583.db2.gz CCIMNMXUPBCPQV-UHFFFAOYSA-N 0 0 440.960 4.238 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)NCc3ccco3)cc(C(F)(F)F)c12 ZINC000045991178 557017029 /nfs/dbraw/zinc/01/70/29/557017029.db2.gz RERROLGIUUSGRA-UHFFFAOYSA-N 0 0 444.413 4.344 50 0 IIAARN Cc1nn(C)c2nc(OCC(=O)Nc3ccccc3C(F)(F)F)cc(C(F)(F)F)c12 ZINC000045991370 557017069 /nfs/dbraw/zinc/01/70/69/557017069.db2.gz QUAOAGPEYVNZGX-UHFFFAOYSA-N 0 0 432.324 4.332 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1 ZINC000045991769 557017304 /nfs/dbraw/zinc/01/73/04/557017304.db2.gz YNOXKTVWUHXQSB-QGZVFWFLSA-N 0 0 446.507 4.461 50 0 IIAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)NCc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045992674 557018242 /nfs/dbraw/zinc/01/82/42/557018242.db2.gz SYWWGMUMXCNMEJ-LLVKDONJSA-N 0 0 426.826 4.033 50 0 IIAARN COc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc(OC)c1OC ZINC000010717528 557020554 /nfs/dbraw/zinc/02/05/54/557020554.db2.gz XZWDHEOGJBHKOT-UHFFFAOYSA-N 0 0 442.493 4.211 50 0 IIAARN COc1ccc(CCNC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138235 557021310 /nfs/dbraw/zinc/02/13/10/557021310.db2.gz BRVJNWNPYXULIJ-UHFFFAOYSA-N 0 0 443.956 4.038 50 0 IIAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000023138476 557021566 /nfs/dbraw/zinc/02/15/66/557021566.db2.gz ZBOPHCRARGTXFQ-UHFFFAOYSA-N 0 0 449.454 4.450 50 0 IIAARN Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)Nc1nc2ccccc2s1 ZINC000023138619 557021738 /nfs/dbraw/zinc/02/17/38/557021738.db2.gz NQFMIEJHCLOSEU-UHFFFAOYSA-N 0 0 440.525 4.301 50 0 IIAARN COc1ccccc1N1CCN(c2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)CC1 ZINC000046022670 557022597 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C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)NCCc1ccccc1 ZINC000024226170 557141815 /nfs/dbraw/zinc/14/18/15/557141815.db2.gz UZCPIYLWXSBPEN-CYBMUJFWSA-N 0 0 431.359 4.074 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000024341786 557144537 /nfs/dbraw/zinc/14/45/37/557144537.db2.gz KAXQWTIQQMYECM-PJIJBLCYSA-N 0 0 431.558 4.076 50 0 IIAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(N4CCOCC4)nc3)c2c1 ZINC000024528352 557150442 /nfs/dbraw/zinc/15/04/42/557150442.db2.gz RBYLMEWQZXCWFK-UHFFFAOYSA-N 0 0 440.503 4.394 50 0 IIAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)n2C)c(C)c1 ZINC000016425508 557151472 /nfs/dbraw/zinc/15/14/72/557151472.db2.gz OISLAPHBUZLOMU-UHFFFAOYSA-N 0 0 428.533 4.177 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000023271367 557152453 /nfs/dbraw/zinc/15/24/53/557152453.db2.gz ZBKZHSCRGCUVAJ-WMLDXEAASA-N 0 0 446.544 4.081 50 0 IIAARN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc(OC)c1OC(C)=O ZINC000000726914 557152721 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557171071 /nfs/dbraw/zinc/17/10/71/557171071.db2.gz RYMDEQHDSZSMPR-UHFFFAOYSA-N 0 0 433.530 4.171 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000024835393 557171942 /nfs/dbraw/zinc/17/19/42/557171942.db2.gz MHYZTPKARWNONH-UHFFFAOYSA-N 0 0 445.423 4.130 50 0 IIAARN CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4ccccc4o3)n2CC)s1 ZINC000008784748 557173830 /nfs/dbraw/zinc/17/38/30/557173830.db2.gz YZJKDPFZWBIZPX-LLVKDONJSA-N 0 0 428.543 4.244 50 0 IIAARN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000024866005 557175254 /nfs/dbraw/zinc/17/52/54/557175254.db2.gz GGBBRPXNFSKIFG-SJCJKPOMSA-N 0 0 425.838 4.297 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nnc3n2CCCCC3)cc1 ZINC000010961990 557177702 /nfs/dbraw/zinc/17/77/02/557177702.db2.gz RKEVRAVMPHZCIQ-UHFFFAOYSA-N 0 0 426.524 4.096 50 0 IIAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000024912638 557178645 /nfs/dbraw/zinc/17/86/45/557178645.db2.gz MYGNGWLDTPXJGM-UHFFFAOYSA-N 0 0 442.928 4.198 50 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COc1ccc2c(C)c(CCC(=O)O[C@@H](C)c3nnc(-c4ccccc4)o3)c(=O)oc2c1 ZINC000026088997 557234016 /nfs/dbraw/zinc/23/40/16/557234016.db2.gz GFUXMBZCLICOGR-HNNXBMFYSA-N 0 0 434.448 4.397 50 0 IIAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc(OC)c1OC ZINC000098212177 557235526 /nfs/dbraw/zinc/23/55/26/557235526.db2.gz XUGRSYGRJDKNLD-MRXNPFEDSA-N 0 0 443.887 4.393 50 0 IIAARN COc1ccc(-c2cc(N3CCC(NC(=O)Cc4c(F)cccc4Cl)CC3)n[nH]2)cc1 ZINC000098212806 557236070 /nfs/dbraw/zinc/23/60/70/557236070.db2.gz FRUKVPMXOWBTAN-UHFFFAOYSA-N 0 0 442.922 4.206 50 0 IIAARN CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC12CCCC2 ZINC000100024513 557237640 /nfs/dbraw/zinc/23/76/40/557237640.db2.gz KOKJHNLVAHSLKW-UHFFFAOYSA-N 0 0 434.561 4.382 50 0 IIAARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000026278909 557238273 /nfs/dbraw/zinc/23/82/73/557238273.db2.gz ITFQKHHFECVAOL-UHFFFAOYSA-N 0 0 448.592 4.078 50 0 IIAARN Cc1noc(CSc2ccccc2C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)n1 ZINC000026319785 557239022 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/nfs/dbraw/zinc/28/04/37/557280437.db2.gz FRKMTUOLJFYDDU-SOLBZPMBSA-N 0 0 443.594 4.046 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101384496 557281862 /nfs/dbraw/zinc/28/18/62/557281862.db2.gz GGWDDXHVODEABD-HXUWFJFHSA-N 0 0 445.972 4.394 50 0 IIAARN CN(c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1)S(=O)(=O)c1cccs1 ZINC000014067751 557296705 /nfs/dbraw/zinc/29/67/05/557296705.db2.gz OYANYJKSPRITJR-PXNSSMCTSA-N 0 0 448.610 4.133 50 0 IIAARN Cc1cc(NC(=O)Cn2nc3c4cc(Cl)ccc4[nH]cc-3c2=O)ccc1Br ZINC000101800902 557298917 /nfs/dbraw/zinc/29/89/17/557298917.db2.gz MROHRGLPHDIDTO-UHFFFAOYSA-N 0 0 445.704 4.192 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000014077246 557299404 /nfs/dbraw/zinc/29/94/04/557299404.db2.gz ZHBSRAUENBQJOF-UHFFFAOYSA-N 0 0 440.503 4.167 50 0 IIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101861296 557304152 /nfs/dbraw/zinc/30/41/52/557304152.db2.gz KNHRWLJZFCMNQL-UHFFFAOYSA-N 0 0 429.524 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ZINC000023222035 557313464 /nfs/dbraw/zinc/31/34/64/557313464.db2.gz UCSDISUMEKPYIU-ZDUSSCGKSA-N 0 0 448.397 4.197 50 0 IIAARN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(=O)NCc3ccc(F)c(F)c3)cc2)n1 ZINC000023327552 557313615 /nfs/dbraw/zinc/31/36/15/557313615.db2.gz TUQIOGOQAPKJKU-UHFFFAOYSA-N 0 0 427.451 4.381 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000102300769 557316042 /nfs/dbraw/zinc/31/60/42/557316042.db2.gz GDHXAMNHXMOTGN-UHFFFAOYSA-N 0 0 447.516 4.421 50 0 IIAARN COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032830454 557316860 /nfs/dbraw/zinc/31/68/60/557316860.db2.gz ACPIWLSDMFJKOS-BHMZLHOFSA-N 0 0 444.457 4.485 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4cccc(Br)c4)C3)c2c1C ZINC000032960062 557319148 /nfs/dbraw/zinc/31/91/48/557319148.db2.gz NILIYEUGRSOPRA-AWEZNQCLSA-N 0 0 429.318 4.457 50 0 IIAARN O=C(/C=C\c1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000102395441 557320761 /nfs/dbraw/zinc/32/07/61/557320761.db2.gz DZCUDWNYZAINPA-VOKGJARPSA-N 0 0 430.378 4.284 50 0 IIAARN CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000033131392 557325261 /nfs/dbraw/zinc/32/52/61/557325261.db2.gz BFIILGFZEBNVHJ-UHFFFAOYSA-N 0 0 434.989 4.397 50 0 IIAARN COc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)c1 ZINC000033113965 557325952 /nfs/dbraw/zinc/32/59/52/557325952.db2.gz YCLZZPZFZFNIDB-UHFFFAOYSA-N 0 0 436.537 4.127 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1 ZINC000014248918 557329753 /nfs/dbraw/zinc/32/97/53/557329753.db2.gz RQDPSMVAIUIGOG-UHFFFAOYSA-N 0 0 438.549 4.101 50 0 IIAARN Cc1csc(-c2csc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)n1 ZINC000033297608 557330385 /nfs/dbraw/zinc/33/03/85/557330385.db2.gz CADSIRDNEMHKFX-UHFFFAOYSA-N 0 0 433.624 4.308 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c(C)c1 ZINC000014255061 557330679 /nfs/dbraw/zinc/33/06/79/557330679.db2.gz VDJKVVJOOOUNSM-OAQYLSRUSA-N 0 0 442.625 4.150 50 0 IIAARN O=C(Cn1cnc2c3ccc(-c4cccs4)nc3sc2c1=O)NCc1cccs1 ZINC000033284054 557332027 /nfs/dbraw/zinc/33/20/27/557332027.db2.gz YTDOWMXFPPNSID-UHFFFAOYSA-N 0 0 438.559 4.113 50 0 IIAARN Cc1ccccc1Sc1nccnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000033288983 557332272 /nfs/dbraw/zinc/33/22/72/557332272.db2.gz FMSLDWZGSKQZBB-UHFFFAOYSA-N 0 0 425.535 4.438 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312899 557332556 /nfs/dbraw/zinc/33/25/56/557332556.db2.gz LMXIIVVSGLLFEN-JIPXPUAJSA-N 0 0 447.623 4.284 50 0 IIAARN Cc1ccc(OCc2nc(-c3ccccc3OCC(=O)NCc3ccccc3)no2)cc1 ZINC000033325154 557333312 /nfs/dbraw/zinc/33/33/12/557333312.db2.gz FYQPEJGMDYEYHK-UHFFFAOYSA-N 0 0 429.476 4.319 50 0 IIAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836696 557336296 /nfs/dbraw/zinc/33/62/96/557336296.db2.gz UTKJWXRGGOIHSF-MRXNPFEDSA-N 0 0 446.787 4.416 50 0 IIAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014370393 557336525 /nfs/dbraw/zinc/33/65/25/557336525.db2.gz LPMGIGMZLSGXFZ-IBGZPJMESA-N 0 0 429.524 4.201 50 0 IIAARN Cc1noc2nc(C)cc(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)c12 ZINC000014527965 557339301 /nfs/dbraw/zinc/33/93/01/557339301.db2.gz WSXVWDGXDIHUQW-UHFFFAOYSA-N 0 0 430.839 4.429 50 0 IIAARN Cc1nn(-c2nc(C)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c(C)c1Cl ZINC000014608792 557344893 /nfs/dbraw/zinc/34/48/93/557344893.db2.gz ZOEKMWWURIKCMR-UHFFFAOYSA-N 0 0 433.940 4.009 50 0 IIAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(OC)c(O)c(OC)c3)C2)cc1 ZINC000102587371 557356085 /nfs/dbraw/zinc/35/60/85/557356085.db2.gz KQXYQMDYEJPKSJ-JLCFBVMHSA-N 0 0 448.479 4.075 50 0 IIAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102603321 557358181 /nfs/dbraw/zinc/35/81/81/557358181.db2.gz QWEWPUFCABXJGN-VFNWGFHPSA-N 0 0 432.480 4.369 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc5c(c4)OCCO5)n[nH]3)cc2)c1 ZINC000023453827 557361773 /nfs/dbraw/zinc/36/17/73/557361773.db2.gz ZRDQJBPDBBWXCL-UHFFFAOYSA-N 0 0 441.487 4.454 50 0 biogenic IIAARN COc1ccc(CCNC(=O)c2cccc(-n3nc(-c4nnc(C)o4)cc3C3CC3)c2)cc1 ZINC000023456420 557362680 /nfs/dbraw/zinc/36/26/80/557362680.db2.gz HDYNYISXCAGZDZ-UHFFFAOYSA-N 0 0 443.507 4.089 50 0 biogenic IIAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220677779 557363583 /nfs/dbraw/zinc/36/35/83/557363583.db2.gz LRPWANRXXJKCLP-QGZVFWFLSA-N 0 0 445.498 4.371 50 0 IIAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220674805 557364177 /nfs/dbraw/zinc/36/41/77/557364177.db2.gz JGDNRLSZHVNWOS-LJQANCHMSA-N 0 0 445.498 4.215 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)cc1 ZINC000220826038 557367546 /nfs/dbraw/zinc/36/75/46/557367546.db2.gz CJANVZLGQUMNID-HXUWFJFHSA-N 0 0 434.540 4.260 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)s1 ZINC000220831561 557368212 /nfs/dbraw/zinc/36/82/12/557368212.db2.gz SSFPOWGTSSRZDF-MRXNPFEDSA-N 0 0 431.583 4.312 50 0 IIAARN COC(=O)c1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(OC)cc4)CC(=O)C32)cc1 ZINC000102736568 557368979 /nfs/dbraw/zinc/36/89/79/557368979.db2.gz SCDRCHGTGDHOQO-HRAATJIYSA-N 0 0 446.463 4.494 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102729390 557370856 /nfs/dbraw/zinc/37/08/56/557370856.db2.gz JQUZKCPXNCFLNV-WXFUMESZSA-N 0 0 444.487 4.063 50 0 IIAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000023802959 557375483 /nfs/dbraw/zinc/37/54/83/557375483.db2.gz ZWOBNYYJAMITEE-UHFFFAOYSA-N 0 0 429.885 4.001 50 0 IIAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000023822086 557375997 /nfs/dbraw/zinc/37/59/97/557375997.db2.gz YTQSCPDUPUEDKL-UHFFFAOYSA-N 0 0 431.561 4.234 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102744757 557377488 /nfs/dbraw/zinc/37/74/88/557377488.db2.gz RJMNYYGBCXEPKN-WXFUMESZSA-N 0 0 444.487 4.150 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000102760940 557385159 /nfs/dbraw/zinc/38/51/59/557385159.db2.gz ZPTSNQBCAKAQMC-XPWALMASSA-N 0 0 432.451 4.276 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 ZINC000011695713 557393366 /nfs/dbraw/zinc/39/33/66/557393366.db2.gz XALPSOOPZLPQCJ-UHFFFAOYSA-N 0 0 431.323 4.150 50 0 IIAARN O=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000033428936 557396729 /nfs/dbraw/zinc/39/67/29/557396729.db2.gz SJCDPGFMFPEYKT-UHFFFAOYSA-N 0 0 427.574 4.087 50 0 IIAARN COC(=O)c1ccc(NC=Cc2oc(=O)c(NC(=O)c3ccc(C)cc3)cc2C(C)=O)cc1 ZINC000100281668 557397347 /nfs/dbraw/zinc/39/73/47/557397347.db2.gz RCVQSFGEAIEXDI-OUKQBFOZSA-N 0 0 446.459 4.273 50 0 IIAARN Cc1ccc(C)c2sc(NC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc21 ZINC000102914621 557412343 /nfs/dbraw/zinc/41/23/43/557412343.db2.gz GATMZKFIOXTJMO-ULQDDVLXSA-N 0 0 425.554 4.218 50 0 IIAARN Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)CC(C)(C)C)CC3)n12 ZINC000103311699 557433866 /nfs/dbraw/zinc/43/38/66/557433866.db2.gz APPPBTLBYQRZCL-UHFFFAOYSA-N 0 0 442.567 4.338 50 0 IIAARN C[C@@H]1CN(C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccco2)CC3)C[C@@H](C)O1 ZINC000104299445 557454096 /nfs/dbraw/zinc/45/40/96/557454096.db2.gz IYYCWHMVYVXFMI-NVZRXXAXSA-N 0 0 446.503 4.107 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105010726 557472758 /nfs/dbraw/zinc/47/27/58/557472758.db2.gz YNRCAUJSRYCVRG-UKILVPOCSA-N 0 0 447.579 4.256 50 0 IIAARN CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccco1 ZINC000209819594 557497519 /nfs/dbraw/zinc/49/75/19/557497519.db2.gz YNQAPTCLFHIMIP-LJQANCHMSA-N 0 0 436.537 4.141 50 0 IIAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccs3)n2)c1 ZINC000105763556 557510236 /nfs/dbraw/zinc/51/02/36/557510236.db2.gz VNXHQJDTBYGVFI-UHFFFAOYSA-N 0 0 439.493 4.293 50 0 IIAARN COc1cc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3ccco3)n2)cc(OC)c1OC ZINC000105821365 557511379 /nfs/dbraw/zinc/51/13/79/557511379.db2.gz YCIBFYFUUUOMHP-QGZVFWFLSA-N 0 0 449.463 4.069 50 0 IIAARN COc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)CC(C)(C)C)n2)cc1OC ZINC000105897542 557512155 /nfs/dbraw/zinc/51/21/55/557512155.db2.gz MCGONLFWRZGXFD-UHFFFAOYSA-N 0 0 427.501 4.354 50 0 IIAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc2c(c1)OCO2 ZINC000012062707 557525913 /nfs/dbraw/zinc/52/59/13/557525913.db2.gz FNCNZKUCOXMLOQ-PKNBQFBNSA-N 0 0 428.381 4.297 50 0 IIAARN O=C(CSc1nnc(NC(=O)Cc2cccc3ccccc32)s1)NCc1ccccc1 ZINC000012080603 557527287 /nfs/dbraw/zinc/52/72/87/557527287.db2.gz CLHFGMNQDGEQCU-UHFFFAOYSA-N 0 0 448.573 4.281 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n[nH]2)cc1 ZINC000044837836 557538909 /nfs/dbraw/zinc/53/89/09/557538909.db2.gz CKZAFMOFIBHZTI-UHFFFAOYSA-N 0 0 438.553 4.202 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1Cl ZINC000045895189 557546424 /nfs/dbraw/zinc/54/64/24/557546424.db2.gz NHLGAUDJIMBAOD-UHFFFAOYSA-N 0 0 432.929 4.453 50 0 IIAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(Cl)cc4)n3n2)cc1 ZINC000045939033 557548230 /nfs/dbraw/zinc/54/82/30/557548230.db2.gz HHFAZWWXQXUUOB-UHFFFAOYSA-N 0 0 439.928 4.031 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccccc5)n4ccn3n2)cc1C ZINC000045971565 557555560 /nfs/dbraw/zinc/55/55/60/557555560.db2.gz ZBJWVPLSFFDNFF-UHFFFAOYSA-N 0 0 442.548 4.069 50 0 IIAARN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000040113047 557701305 /nfs/dbraw/zinc/70/13/05/557701305.db2.gz KBXBTOFLRBQFSJ-OPAMFIHVSA-N 0 0 425.960 4.252 50 0 IIAARN CC(C)CCOc1ccc(S(=O)(=O)Nc2cc(C[S@@](C)=O)ccc2Cl)cc1 ZINC000225395800 557718311 /nfs/dbraw/zinc/71/83/11/557718311.db2.gz FICBSQYUKIKLII-AREMUKBSSA-N 0 0 429.991 4.444 50 0 IIAARN COCC1(C(=O)NCCc2c(Cl)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC000225417154 557720633 /nfs/dbraw/zinc/72/06/33/557720633.db2.gz VXSUBMAWOZACCU-UHFFFAOYSA-N 0 0 445.387 4.316 50 0 IIAARN COc1ccccc1[C@H](O)CNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000225522464 557735125 /nfs/dbraw/zinc/73/51/25/557735125.db2.gz HPXMKXSIIOVGQU-CQSZACIVSA-N 0 0 433.224 4.332 50 0 IIAARN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000225680259 557762111 /nfs/dbraw/zinc/76/21/11/557762111.db2.gz AVODFLPFVAJUFO-WTLGNFPFSA-N 0 0 438.557 4.285 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2ccccn2)[C@@H](c2cccc(F)c2)C1 ZINC000225718641 557768123 /nfs/dbraw/zinc/76/81/23/557768123.db2.gz JVAVVIAPCNKTKB-OAQYLSRUSA-N 0 0 427.520 4.364 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCc5cc(F)ccc54)cc3C2=O)cc1 ZINC000225772674 557775561 /nfs/dbraw/zinc/77/55/61/557775561.db2.gz YXHLVXLNRJMROS-UHFFFAOYSA-N 0 0 430.435 4.228 50 0 IIAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226872505 557810108 /nfs/dbraw/zinc/81/01/08/557810108.db2.gz ZWASGVCXVNBOPB-RBZQAINGSA-N 0 0 428.488 4.132 50 0 IIAARN C[C@@H](NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(N)=O)cc1 ZINC000058912717 557813314 /nfs/dbraw/zinc/81/33/14/557813314.db2.gz CMRBQGWIUOFRMR-SSDOTTSWSA-N 0 0 447.152 4.255 50 0 IIAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000229811823 557833359 /nfs/dbraw/zinc/83/33/59/557833359.db2.gz KTTFRASFFDAQLE-ZXYWRSMDSA-N 0 0 449.473 4.324 50 0 IIAARN COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000866313 557839808 /nfs/dbraw/zinc/83/98/08/557839808.db2.gz USLYHMIKXNRQBJ-UHFFFAOYSA-N 0 0 445.537 4.102 50 0 biogenic,in-vitro IIAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(OC)c1 ZINC000000866685 557839916 /nfs/dbraw/zinc/83/99/16/557839916.db2.gz LDCHHMCNLPLOEI-YOEHRIQHSA-N 0 0 436.390 4.406 50 0 IIAARN O=S(=O)(c1cccc(Br)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000238937201 557842071 /nfs/dbraw/zinc/84/20/71/557842071.db2.gz UDYBUYKFAJPYLT-UHFFFAOYSA-N 0 0 448.342 4.067 50 0 IIAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@@H]3CCOC3)c2)cc1 ZINC000241653389 557846835 /nfs/dbraw/zinc/84/68/35/557846835.db2.gz PURPTRJYBCDXQZ-UYAOXDASSA-N 0 0 444.597 4.293 50 0 IIAARN Cc1ccccc1CN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000001131511 562920587 /nfs/dbraw/zinc/92/05/87/562920587.db2.gz YYJGWGHKKFYTKG-UHFFFAOYSA-N 0 0 434.561 4.160 50 0 IIAARN CCNc1nc(NCC)nc(SCCOC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000002266817 562926711 /nfs/dbraw/zinc/92/67/11/562926711.db2.gz GXZOAZOEMKZYIT-UHFFFAOYSA-N 0 0 431.349 4.383 50 0 IIAARN CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1ccc2c(c1)OCO2 ZINC000002457409 562928023 /nfs/dbraw/zinc/92/80/23/562928023.db2.gz RLPFUDOSEIFZLH-HSZRJFAPSA-N 0 0 428.554 4.347 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1)OCc1ccccc1 ZINC000002635613 562928895 /nfs/dbraw/zinc/92/88/95/562928895.db2.gz HCKXTZLGWCTTTI-XMMPIXPASA-N 0 0 445.494 4.461 50 0 IIAARN Cc1ccc(C(=O)c2c3c(sc2NC(=O)CSc2nnc(N)s2)CCCC3)cc1 ZINC000002657718 562929558 /nfs/dbraw/zinc/92/95/58/562929558.db2.gz CUBVIEZKHNXVIG-UHFFFAOYSA-N 0 0 444.607 4.331 50 0 IIAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C ZINC000002912236 562930575 /nfs/dbraw/zinc/93/05/75/562930575.db2.gz ZYSMPTUHBIMKRI-UHFFFAOYSA-N 0 0 433.917 4.157 50 0 IIAARN COc1cc(CCC(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1OC ZINC000003218183 562932886 /nfs/dbraw/zinc/93/28/86/562932886.db2.gz VJEKIHVQEUDUAT-UHFFFAOYSA-N 0 0 429.513 4.259 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC000003229012 562933034 /nfs/dbraw/zinc/93/30/34/562933034.db2.gz GCCNADOHYLDEOK-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 IIAARN C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1 ZINC000003279978 562933607 /nfs/dbraw/zinc/93/36/07/562933607.db2.gz PLWMHUOIYTVFHJ-SFHVURJKSA-N 0 0 439.537 4.257 50 0 IIAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1N ZINC000003439248 562935830 /nfs/dbraw/zinc/93/58/30/562935830.db2.gz ZPXOWXTZGNZWDW-MRXNPFEDSA-N 0 0 446.580 4.189 50 0 IIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000003438361 562935851 /nfs/dbraw/zinc/93/58/51/562935851.db2.gz NJEXOKCHXGVMKV-UHFFFAOYSA-N 0 0 429.520 4.264 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 ZINC000005827252 562944917 /nfs/dbraw/zinc/94/49/17/562944917.db2.gz DGCVUYKEYGESFU-NQIIRXRSSA-N 0 0 425.554 4.345 50 0 IIAARN O=C(c1sc2ccccc2c1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000006577062 562947389 /nfs/dbraw/zinc/94/73/89/562947389.db2.gz QKFAADOEFVVURY-GFCCVEGCSA-N 0 0 425.984 4.446 50 0 IIAARN CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000006577644 562947723 /nfs/dbraw/zinc/94/77/23/562947723.db2.gz VRKOASDRBNQPPH-HNNXBMFYSA-N 0 0 426.567 4.223 50 0 IIAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000006577711 562947811 /nfs/dbraw/zinc/94/78/11/562947811.db2.gz ZKGQCCLXZACWHM-UHFFFAOYSA-N 0 0 447.564 4.244 50 0 IIAARN CCCC[C@H](CC)CNC(=O)CCCc1nnc2n1c1ccsc1c(=O)n2CCC ZINC000006817128 562948366 /nfs/dbraw/zinc/94/83/66/562948366.db2.gz NGSQGIDENRAWQY-INIZCTEOSA-N 0 0 431.606 4.171 50 0 IIAARN CCOc1cc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc(OCC)c1OCC ZINC000006811188 562948406 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COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccccc1 ZINC000008589967 562951409 /nfs/dbraw/zinc/95/14/09/562951409.db2.gz RQKHWPUWGFWSOZ-NRFANRHFSA-N 0 0 427.464 4.474 50 0 IIAARN CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c3cc(Cl)ccc3oc12 ZINC000008590500 562951716 /nfs/dbraw/zinc/95/17/16/562951716.db2.gz KDALQOJBDUISRL-UHFFFAOYSA-N 0 0 428.803 4.267 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CN2c3cc(C)nn3CCC2=O)cc1 ZINC000008593672 562952830 /nfs/dbraw/zinc/95/28/30/562952830.db2.gz LZDMYYQMVOBVRA-UHFFFAOYSA-N 0 0 438.915 4.351 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)Nc1cccc(Cl)c1C)nc2C ZINC000008593714 562952833 /nfs/dbraw/zinc/95/28/33/562952833.db2.gz WUKVBNIOZXLZBS-INIZCTEOSA-N 0 0 435.915 4.361 50 0 IIAARN CCN(CC)c1ccc(NC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c(C)c1 ZINC000008597260 562953991 /nfs/dbraw/zinc/95/39/91/562953991.db2.gz NRJZALYRSOEVTP-UHFFFAOYSA-N 0 0 438.601 4.339 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000008597614 562954017 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/nfs/dbraw/zinc/75/03/79/568750379.db2.gz GUXSGCFCQUVUSM-UHFFFAOYSA-N 0 0 449.507 4.323 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C1 ZINC000003517836 568750517 /nfs/dbraw/zinc/75/05/17/568750517.db2.gz KWAKVQVAAGJNCG-HUUCEWRRSA-N 0 0 429.567 4.215 50 0 IIAARN CSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000003567810 568750860 /nfs/dbraw/zinc/75/08/60/568750860.db2.gz BRFBPPWTSWPWFR-UHFFFAOYSA-N 0 0 437.546 4.491 50 0 IIAARN CC(C)c1ccc(/C=C/C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000334158330 568750880 /nfs/dbraw/zinc/75/08/80/568750880.db2.gz HCCJQFXKPDRSNJ-QPNLFZSOSA-N 0 0 449.576 4.107 50 0 IIAARN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)O2)cc1 ZINC000015263736 568751587 /nfs/dbraw/zinc/75/15/87/568751587.db2.gz SDVSSSOIXYEVHT-MOSHPQCFSA-N 0 0 437.448 4.061 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OCCC)cc4)c(=O)n3n2)cc1 ZINC000003636973 568752224 /nfs/dbraw/zinc/75/22/24/568752224.db2.gz WPHXLGXUJHHPIG-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1 ZINC000003852716 568754641 /nfs/dbraw/zinc/75/46/41/568754641.db2.gz PLNYEFNSIQGPQN-SSEXGKCCSA-N 0 0 427.501 4.205 50 0 IIAARN Cc1cnc(-n2ncc(C(=O)N(C)[C@H](C)c3ccon3)c2C2CC2)nc1-c1cccs1 ZINC000299795706 568758017 /nfs/dbraw/zinc/75/80/17/568758017.db2.gz LWCUVSAZYZLZGC-CQSZACIVSA-N 0 0 434.525 4.398 50 0 IIAARN Cc1cc(C(=O)Nc2ccccc2N2CCCC2=O)c2cnn(Cc3cccs3)c2n1 ZINC000078254014 568760749 /nfs/dbraw/zinc/76/07/49/568760749.db2.gz YZCOUBBXWHCMKY-UHFFFAOYSA-N 0 0 431.521 4.229 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccccc1O ZINC000001320610 568779872 /nfs/dbraw/zinc/77/98/72/568779872.db2.gz OBUNLXZYBOCNBZ-QHCPKHFHSA-N 0 0 425.843 4.192 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(-n3cncn3)c1)CC2 ZINC000083925362 568785889 /nfs/dbraw/zinc/78/58/89/568785889.db2.gz PDQBYHPKLAZSKL-QHCPKHFHSA-N 0 0 446.532 4.134 50 0 IIAARN CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1 ZINC000001396068 568785969 /nfs/dbraw/zinc/78/59/69/568785969.db2.gz NJVAQBJGDGBGTR-AWEZNQCLSA-N 0 0 438.471 4.341 50 0 IIAARN COc1ccc(C[S@@](=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001403473 568786751 /nfs/dbraw/zinc/78/67/51/568786751.db2.gz UOOBIWPIXDIPLC-NDEPHWFRSA-N 0 0 429.563 4.156 50 0 IIAARN CC(C)[C@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000060098978 568787819 /nfs/dbraw/zinc/78/78/19/568787819.db2.gz OXZNQUWSTOFVDH-SFHVURJKSA-N 0 0 430.302 4.391 50 0 IIAARN Cn1nc(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C2CC2)cc1C(F)(F)F ZINC000002778426 568789339 /nfs/dbraw/zinc/78/93/39/568789339.db2.gz IMJGMMKMUBBSSI-UHFFFAOYSA-N 0 0 443.779 4.005 50 0 IIAARN c1cnc2c(c1)cccc2OCCOCCOCCOCCOc1cccc2cccnc21 ZINC000005707362 568791471 /nfs/dbraw/zinc/79/14/71/568791471.db2.gz GHYUCQLUMXYVRT-UHFFFAOYSA-N 0 0 448.519 4.291 50 0 IIAARN CC(C)COc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000016731424 568792557 /nfs/dbraw/zinc/79/25/57/568792557.db2.gz QRNJNWMARROPQP-QPNANDPSSA-N 0 0 445.544 4.217 50 0 IIAARN CCOC(=O)C1C(CNc2cccc3cccnc32)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001422884 568793391 /nfs/dbraw/zinc/79/33/91/568793391.db2.gz RCYGTQUCXUQNMC-QHCPKHFHSA-N 0 0 430.508 4.135 50 0 IIAARN Cc1cccc(OCc2nnc(SCc3noc([C@H]4COc5ccccc5O4)n3)o2)c1 ZINC000084211277 568796318 /nfs/dbraw/zinc/79/63/18/568796318.db2.gz NQNJYWCPYNFTES-QGZVFWFLSA-N 0 0 438.465 4.145 50 0 IIAARN CC(C)(C)c1nc(C(C)(C)NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)no1 ZINC000084284830 568796735 /nfs/dbraw/zinc/79/67/35/568796735.db2.gz XICBGXJSGNTNSJ-CQSZACIVSA-N 0 0 425.316 4.218 50 0 IIAARN O=C(CSc1ncccc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000084358212 568797178 /nfs/dbraw/zinc/79/71/78/568797178.db2.gz ZYMBXJNCQXKFMB-OAHLLOKOSA-N 0 0 435.343 4.071 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015541270 568797330 /nfs/dbraw/zinc/79/73/30/568797330.db2.gz SGIANRFTQIMJSW-IBGZPJMESA-N 0 0 441.578 4.058 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000084445164 568797859 /nfs/dbraw/zinc/79/78/59/568797859.db2.gz MNHRUZMQVYENAY-ZDUSSCGKSA-N 0 0 441.336 4.460 50 0 IIAARN O=C(NCc1cc(Br)ccc1OC(F)F)C1=NO[C@H](c2ccccc2)C1 ZINC000084525324 568798312 /nfs/dbraw/zinc/79/83/12/568798312.db2.gz HBMZMDRTEAUTCI-INIZCTEOSA-N 0 0 425.229 4.184 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000015670641 568802529 /nfs/dbraw/zinc/80/25/29/568802529.db2.gz RILFPFXOFUVJLN-QGZVFWFLSA-N 0 0 434.862 4.299 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccccc3)c2)cc1F ZINC000015700256 568807606 /nfs/dbraw/zinc/80/76/06/568807606.db2.gz FJEMWTOENNKZNP-UHFFFAOYSA-N 0 0 426.513 4.298 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(Br)c1 ZINC000015730427 568814183 /nfs/dbraw/zinc/81/41/83/568814183.db2.gz ZMGGKZNMNXDZBG-LLVKDONJSA-N 0 0 441.372 4.381 50 0 IIAARN CSc1cccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)c1 ZINC000015734394 568816197 /nfs/dbraw/zinc/81/61/97/568816197.db2.gz GSRROPBZKIXKBO-UHFFFAOYSA-N 0 0 436.585 4.173 50 0 IIAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c2c1OCCO2 ZINC000085412023 568817987 /nfs/dbraw/zinc/81/79/87/568817987.db2.gz UXYFLBUEBBCGIJ-HXUWFJFHSA-N 0 0 445.541 4.356 50 0 IIAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC)cc3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777198 568823836 /nfs/dbraw/zinc/82/38/36/568823836.db2.gz YLSJGCVDAULMDK-UHFFFAOYSA-N 0 0 438.524 4.167 50 0 IIAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3cccc(OC)c3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777200 568823860 /nfs/dbraw/zinc/82/38/60/568823860.db2.gz MDMSJDMCUIZDKX-UHFFFAOYSA-N 0 0 438.524 4.167 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2F)c2cccs2)ccc1F ZINC000015780991 568825145 /nfs/dbraw/zinc/82/51/45/568825145.db2.gz VPFNGIBXMJTRGP-SFHVURJKSA-N 0 0 439.480 4.419 50 0 IIAARN COc1ccccc1C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000015781016 568825590 /nfs/dbraw/zinc/82/55/90/568825590.db2.gz AALYRDWDLLBIPQ-FQEVSTJZSA-N 0 0 433.526 4.149 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)ccc1F ZINC000015780997 568825941 /nfs/dbraw/zinc/82/59/41/568825941.db2.gz UMKYPHPDFCUIQS-HXUWFJFHSA-N 0 0 435.517 4.209 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C ZINC000006110625 568828320 /nfs/dbraw/zinc/82/83/20/568828320.db2.gz KYKKHHZHPNXOSF-HIFRSBDPSA-N 0 0 427.570 4.091 50 0 IIAARN CCOc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(OC)cc4)o3)n2)cc1 ZINC000085643922 568829073 /nfs/dbraw/zinc/82/90/73/568829073.db2.gz DAECZFBEKINOBP-UHFFFAOYSA-N 0 0 440.477 4.378 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)o3)CC2=O)cc1 ZINC000015785008 568829759 /nfs/dbraw/zinc/82/97/59/568829759.db2.gz KXIVHXIKCJIQAW-KRWDZBQOSA-N 0 0 436.537 4.246 50 0 IIAARN CCc1ccc(Cn2c(CNS(=O)(=O)c3c(C)cc(C)cc3C)nc3cccnc32)cc1 ZINC000085713927 568835674 /nfs/dbraw/zinc/83/56/74/568835674.db2.gz QOCLGKNBRVZSRZ-UHFFFAOYSA-N 0 0 448.592 4.446 50 0 IIAARN O=C(OC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21)c1ccccc1 ZINC000101653823 568837221 /nfs/dbraw/zinc/83/72/21/568837221.db2.gz NUFDHWUEKBIADG-UKPGDCENSA-N 0 0 444.524 4.089 50 0 IIAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000000635360 568837988 /nfs/dbraw/zinc/83/79/88/568837988.db2.gz VHMXEHYOUCTCIL-UHFFFAOYSA-N 0 0 439.320 4.318 50 0 IIAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)Nc1ccc(F)cc1F ZINC000015824436 568840427 /nfs/dbraw/zinc/84/04/27/568840427.db2.gz AHIKVBVXKUEFRB-UHFFFAOYSA-N 0 0 446.479 4.085 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NC4CCCCC4)CC3)s2)cc1 ZINC000015827994 568841152 /nfs/dbraw/zinc/84/11/52/568841152.db2.gz HOOITOJIGDMPCC-UHFFFAOYSA-N 0 0 427.574 4.321 50 0 IIAARN CC(=O)[C@@H](C[C@H](C(C)=O)C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl ZINC000002161701 568841968 /nfs/dbraw/zinc/84/19/68/568841968.db2.gz WGLGFAXMURDXDQ-HUUCEWRRSA-N 0 0 435.307 4.371 50 0 IIAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2nccs2)cc1 ZINC000015860622 568847761 /nfs/dbraw/zinc/84/77/61/568847761.db2.gz QETZRJUZJPPJNC-UHFFFAOYSA-N 0 0 437.550 4.104 50 0 IIAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015867976 568851404 /nfs/dbraw/zinc/85/14/04/568851404.db2.gz LNKSANNWDMTILR-FQEVSTJZSA-N 0 0 440.507 4.296 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870570 568851898 /nfs/dbraw/zinc/85/18/98/568851898.db2.gz CIGVLAPGJPLJKB-UHFFFAOYSA-N 0 0 433.533 4.362 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@@H](C)Cc4ccco4)CC3)[nH]c2c1 ZINC000015868663 568852236 /nfs/dbraw/zinc/85/22/36/568852236.db2.gz RRFMPYPZQRLIEE-IRXDYDNUSA-N 0 0 437.540 4.005 50 0 IIAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000015881033 568854434 /nfs/dbraw/zinc/85/44/34/568854434.db2.gz OUEQRQWJGQZNKK-UHFFFAOYSA-N 0 0 425.510 4.156 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)c1 ZINC000015881046 568855570 /nfs/dbraw/zinc/85/55/70/568855570.db2.gz NNSUVDSFZOBCBK-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)CCCc4ccccc4)c(C)n3n2)cc1 ZINC000015882120 568856459 /nfs/dbraw/zinc/85/64/59/568856459.db2.gz OMRBNQCWDCICPD-UHFFFAOYSA-N 0 0 434.565 4.456 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1OC ZINC000015882472 568856711 /nfs/dbraw/zinc/85/67/11/568856711.db2.gz WHSYNQNDABXWHV-UHFFFAOYSA-N 0 0 429.476 4.272 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883304 568857551 /nfs/dbraw/zinc/85/75/51/568857551.db2.gz KTIANDBHQUMUMB-UHFFFAOYSA-N 0 0 434.293 4.460 50 0 IIAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 ZINC000012897376 568858540 /nfs/dbraw/zinc/85/85/40/568858540.db2.gz UHWBAZSENPKICV-HXUWFJFHSA-N 0 0 437.956 4.016 50 0 IIAARN COC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)Cc1cccs1 ZINC000012939036 568867787 /nfs/dbraw/zinc/86/77/87/568867787.db2.gz RNBXJKFTOACSSF-OAHLLOKOSA-N 0 0 435.592 4.418 50 0 IIAARN COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000012938858 568867897 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432.933 4.033 50 0 IIAARN CCN(C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C1CCCCC1 ZINC000010037154 568884316 /nfs/dbraw/zinc/88/43/16/568884316.db2.gz KGFWNDBUCLKMPG-INIZCTEOSA-N 0 0 433.597 4.302 50 0 IIAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)CCn1cnc2ccccc2c1=O ZINC000090593196 568888935 /nfs/dbraw/zinc/88/89/35/568888935.db2.gz ZWOKNWKDKCCDSD-UHFFFAOYSA-N 0 0 438.940 4.188 50 0 IIAARN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1C ZINC000012979055 568891854 /nfs/dbraw/zinc/89/18/54/568891854.db2.gz UFZUXUFMNKDSEW-UHFFFAOYSA-N 0 0 430.551 4.208 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1Cl ZINC000012980430 568893739 /nfs/dbraw/zinc/89/37/39/568893739.db2.gz IAPVUUSLGKCTCQ-UHFFFAOYSA-N 0 0 442.932 4.098 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)[C@@H]1C ZINC000012989863 568895315 /nfs/dbraw/zinc/89/53/15/568895315.db2.gz YKQAVFHYPCAIKJ-LBTNJELSSA-N 0 0 447.428 4.335 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)c1cccs1 ZINC000012984050 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431.517 4.331 50 0 IIAARN CCCCCOC(=O)c1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001781088 568907056 /nfs/dbraw/zinc/90/70/56/568907056.db2.gz CHPZDVRMXBKHTG-OAQYLSRUSA-N 0 0 436.508 4.293 50 0 IIAARN Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc6c(c5)COC6=O)o4)c(=O)n23)c(C)c1 ZINC000006459167 568909359 /nfs/dbraw/zinc/90/93/59/568909359.db2.gz NGCBEZVOGGDUQX-JMIUGGIZSA-N 0 0 428.469 4.004 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239338655 568911176 /nfs/dbraw/zinc/91/11/76/568911176.db2.gz KWVQAKUXHIUMNS-GFAJBQDWSA-N 0 0 447.624 4.451 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239338656 568911185 /nfs/dbraw/zinc/91/11/85/568911185.db2.gz KWVQAKUXHIUMNS-YPLULLRNSA-N 0 0 447.624 4.451 50 0 IIAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245257268 568914103 /nfs/dbraw/zinc/91/41/03/568914103.db2.gz YFAYOMXYWNJREC-WKILWMFISA-N 0 0 429.517 4.030 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)C[C@@H](C(C)C)OC4)cc1 ZINC000001814770 568915488 /nfs/dbraw/zinc/91/54/88/568915488.db2.gz QUJXMNFVNMADRT-HNNXBMFYSA-N 0 0 444.582 4.110 50 0 IIAARN CCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000035745000 568918021 /nfs/dbraw/zinc/91/80/21/568918021.db2.gz IBTKCSQUBPLAST-UHFFFAOYSA-N 0 0 436.343 4.489 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@H](c3c(F)cccc3F)N(C)C)n2)cc1OC ZINC000089313940 568920857 /nfs/dbraw/zinc/92/08/57/568920857.db2.gz XCJQIJNGBVCVMT-IBGZPJMESA-N 0 0 433.480 4.347 50 0 IIAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000001917044 568922728 /nfs/dbraw/zinc/92/27/28/568922728.db2.gz OGMNHFUHXSQSLQ-QFIPXVFZSA-N 0 0 444.487 4.032 50 0 IIAARN CCCc1cc(=O)[nH]c(SCc2ccc(CSc3nc(CCC)cc(=O)[nH]3)cc2)n1 ZINC000001918378 568922831 /nfs/dbraw/zinc/92/28/31/568922831.db2.gz RVYJLVDBSXEDTG-UHFFFAOYSA-N 0 0 442.610 4.343 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1I ZINC000001934411 568923513 /nfs/dbraw/zinc/92/35/13/568923513.db2.gz PSJFFGLHTZBOGB-UHFFFAOYSA-N 0 0 429.641 4.049 50 0 IIAARN COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)Nc2cccc(C)c2C)cc1 ZINC000016610320 568925632 /nfs/dbraw/zinc/92/56/32/568925632.db2.gz RLGDQITWFQUEDN-FQEVSTJZSA-N 0 0 438.553 4.255 50 0 IIAARN CC(C)N(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1cccc2ccccc21 ZINC000016613261 568925812 /nfs/dbraw/zinc/92/58/12/568925812.db2.gz BQOQXRBBTIFVCR-UHFFFAOYSA-N 0 0 449.938 4.177 50 0 IIAARN Cc1nn(C)c(NC(=O)N[C@H](CO)c2ccccc2)c1-c1ccc(Br)cc1 ZINC000089512452 568928071 /nfs/dbraw/zinc/92/80/71/568928071.db2.gz DMWWKNKXSWWCQW-QGZVFWFLSA-N 0 0 429.318 4.013 50 0 IIAARN Cc1cc(=O)c(C(=O)N(C)c2nc3ccccc3s2)nn1-c1ccccc1C(F)(F)F ZINC000026965631 568928169 /nfs/dbraw/zinc/92/81/69/568928169.db2.gz LOAFJBXNOAZMFE-UHFFFAOYSA-N 0 0 444.438 4.446 50 0 IIAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)Nc2ccccc2)c1=O ZINC000064438489 568928241 /nfs/dbraw/zinc/92/82/41/568928241.db2.gz WWPLHDXOBRHIHP-UHFFFAOYSA-N 0 0 441.531 4.329 50 0 IIAARN CCC(=O)N1CCN(c2nn3c(nc(-c4ccc(CC)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450789 568928843 /nfs/dbraw/zinc/92/88/43/568928843.db2.gz ADADTKRTJWLDCN-UHFFFAOYSA-N 0 0 440.617 4.289 50 0 IIAARN CCN1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC3CCCCC3)s2)CC1 ZINC000064450777 568928850 /nfs/dbraw/zinc/92/88/50/568928850.db2.gz RXTPPNQKJFOXTK-UHFFFAOYSA-N 0 0 428.581 4.483 50 0 IIAARN COc1cc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc(OC)c1 ZINC000064471921 568929811 /nfs/dbraw/zinc/92/98/11/568929811.db2.gz VDDFPQXRVVZMOD-UHFFFAOYSA-N 0 0 427.501 4.324 50 0 IIAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000064566103 568932829 /nfs/dbraw/zinc/93/28/29/568932829.db2.gz KKYXFWKSBVNIER-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1 ZINC000064566140 568932954 /nfs/dbraw/zinc/93/29/54/568932954.db2.gz OWIUHFWZQRQUBE-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000089532430 568936390 /nfs/dbraw/zinc/93/63/90/568936390.db2.gz DJGUYVKZQIRBNM-GOSISDBHSA-N 0 0 438.553 4.195 50 0 IIAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000089532434 568936459 /nfs/dbraw/zinc/93/64/59/568936459.db2.gz DJGUYVKZQIRBNM-SFHVURJKSA-N 0 0 438.553 4.195 50 0 IIAARN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690134 568938551 /nfs/dbraw/zinc/93/85/51/568938551.db2.gz SRKGKCBQIXHYPJ-LPMFXHHGSA-N 0 0 430.574 4.143 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(C)cc(C)c3)cc2)cc1 ZINC000089585177 568938738 /nfs/dbraw/zinc/93/87/38/568938738.db2.gz PZQIOZAOCDZUQW-UHFFFAOYSA-N 0 0 425.506 4.356 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc12 ZINC000006603661 568938889 /nfs/dbraw/zinc/93/88/89/568938889.db2.gz GQTNMHNJYZSQGP-YZVOILCLSA-N 0 0 425.554 4.493 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1)n1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605393 568939626 /nfs/dbraw/zinc/93/96/26/568939626.db2.gz KPNBYILRPKQBBN-QFIPXVFZSA-N 0 0 432.524 4.403 50 0 IIAARN Cc1ccc(F)cc1-n1nnc(C(=O)NCc2ccc(F)c(Cl)c2)c1-c1ccccn1 ZINC000064611103 568940065 /nfs/dbraw/zinc/94/00/65/568940065.db2.gz GJTXBPOGOSVNLB-UHFFFAOYSA-N 0 0 439.853 4.499 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000002064858 568941382 /nfs/dbraw/zinc/94/13/82/568941382.db2.gz DPGAKOGYJAOXIV-SFHVURJKSA-N 0 0 426.513 4.207 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665420 568942673 /nfs/dbraw/zinc/94/26/73/568942673.db2.gz YMUSPDGSUFSZNH-UHFFFAOYSA-N 0 0 426.879 4.282 50 0 IIAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(C)cc3)c2NC(C)(C)C)s1 ZINC000064704110 568944516 /nfs/dbraw/zinc/94/45/16/568944516.db2.gz HGOPKAQZZIDQSG-UHFFFAOYSA-N 0 0 428.606 4.329 50 0 IIAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)n1 ZINC000036065777 568945034 /nfs/dbraw/zinc/94/50/34/568945034.db2.gz CIDXGBPRCPOXAL-MRXNPFEDSA-N 0 0 439.487 4.273 50 0 IIAARN COc1ccc(Br)cc1C(=O)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000064726429 568945715 /nfs/dbraw/zinc/94/57/15/568945715.db2.gz QFTCYVQJJVOADD-UHFFFAOYSA-N 0 0 443.297 4.417 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036083488 568947252 /nfs/dbraw/zinc/94/72/52/568947252.db2.gz VNWJCMQWCQQESH-NRFANRHFSA-N 0 0 442.899 4.135 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000036083730 568947435 /nfs/dbraw/zinc/94/74/35/568947435.db2.gz MSRZFEWKTTWSBR-HXUWFJFHSA-N 0 0 432.879 4.462 50 0 IIAARN Cc1nc2cc(C(=O)NCc3ccccc3C)ccc2n1CCC(=O)NC1CCCCC1 ZINC000064748065 568950544 /nfs/dbraw/zinc/95/05/44/568950544.db2.gz JGKLFAYRVWUONW-UHFFFAOYSA-N 0 0 432.568 4.422 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4ccc(F)cc4)CC3=O)c2)cc1 ZINC000064754727 568951035 /nfs/dbraw/zinc/95/10/35/568951035.db2.gz AHULKFCSQIPSRK-FQEVSTJZSA-N 0 0 445.494 4.056 50 0 IIAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)ccc1F ZINC000064754653 568951054 /nfs/dbraw/zinc/95/10/54/568951054.db2.gz INQJVKCRBAZUAN-GOSISDBHSA-N 0 0 431.467 4.378 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000064775702 568954703 /nfs/dbraw/zinc/95/47/03/568954703.db2.gz YEWYLDYVXSMEGP-NRFANRHFSA-N 0 0 449.532 4.440 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)=O ZINC000036118259 568955960 /nfs/dbraw/zinc/95/59/60/568955960.db2.gz HUOLXICHXZJFGU-PXNSSMCTSA-N 0 0 444.597 4.156 50 0 IIAARN CCc1ccc(NC(=O)c2cnc3scc(-c4cc(OC)ccc4OC)n3c2=O)cc1 ZINC000064788052 568956442 /nfs/dbraw/zinc/95/64/42/568956442.db2.gz OUZHOUVDRRGKCY-UHFFFAOYSA-N 0 0 435.505 4.255 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccc(F)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788176 568956596 /nfs/dbraw/zinc/95/65/96/568956596.db2.gz PCVFNFCAVDKVLD-HSZRJFAPSA-N 0 0 447.510 4.008 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC(C)C ZINC000036120283 568957115 /nfs/dbraw/zinc/95/71/15/568957115.db2.gz GLMWSMZMVKUEPD-IBGZPJMESA-N 0 0 432.561 4.287 50 0 IIAARN Cc1cc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791477 568957630 /nfs/dbraw/zinc/95/76/30/568957630.db2.gz JKYSTFKUFQKHAW-UHFFFAOYSA-N 0 0 435.491 4.168 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](C)CC ZINC000036122709 568958326 /nfs/dbraw/zinc/95/83/26/568958326.db2.gz SMIXXTIXGZPBRZ-RXVVDRJESA-N 0 0 443.613 4.331 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036122923 568958536 /nfs/dbraw/zinc/95/85/36/568958536.db2.gz GEIATSYQPVQCMD-NRFANRHFSA-N 0 0 441.597 4.003 50 0 IIAARN Cc1cccc(NC(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)c1C ZINC000064792385 568959300 /nfs/dbraw/zinc/95/93/00/568959300.db2.gz GCHVVWMAACFQGR-UHFFFAOYSA-N 0 0 449.942 4.245 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccc(C)cc3)C=C2c2ccccc2)cc1 ZINC000064793128 568959629 /nfs/dbraw/zinc/95/96/29/568959629.db2.gz NXWVBBCVKRYBSC-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1sc2ncccc2c1N ZINC000064794269 568959867 /nfs/dbraw/zinc/95/98/67/568959867.db2.gz ZFNWUPRRBUAIGO-UHFFFAOYSA-N 0 0 425.539 4.236 50 0 IIAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064797846 568960436 /nfs/dbraw/zinc/96/04/36/568960436.db2.gz OYVVGZJYUNPQBO-INIZCTEOSA-N 0 0 443.546 4.462 50 0 IIAARN CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064799001 568960573 /nfs/dbraw/zinc/96/05/73/568960573.db2.gz XNAZNMSKBWNIJT-GOSISDBHSA-N 0 0 443.546 4.462 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2OC)cc1 ZINC000064798922 568960606 /nfs/dbraw/zinc/96/06/06/568960606.db2.gz FPTQBUSNPHAMGE-INIZCTEOSA-N 0 0 429.519 4.072 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1O ZINC000064798415 568960613 /nfs/dbraw/zinc/96/06/13/568960613.db2.gz MJAJWJPEOAIPIS-MRXNPFEDSA-N 0 0 443.546 4.468 50 0 IIAARN CC(C)NC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C[C@H]1CCCO1 ZINC000006712349 568961037 /nfs/dbraw/zinc/96/10/37/568961037.db2.gz JVDZEUUKPLXZDK-HXUWFJFHSA-N 0 0 432.609 4.226 50 0 IIAARN COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146433 568962851 /nfs/dbraw/zinc/96/28/51/568962851.db2.gz JXRLMHSLBVGCKH-AOYPEHQESA-N 0 0 448.538 4.433 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)NC(C)C)[C@H](C)c2ccccc2)c1 ZINC000006722655 568963213 /nfs/dbraw/zinc/96/32/13/568963213.db2.gz ZROBUJVTMFNMJB-GOSISDBHSA-N 0 0 426.561 4.019 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000006722703 568963229 /nfs/dbraw/zinc/96/32/29/568963229.db2.gz AKBQPDDDQPZIGR-KRWDZBQOSA-N 0 0 429.536 4.164 50 0 IIAARN COc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152392 568963473 /nfs/dbraw/zinc/96/34/73/568963473.db2.gz KXSHLXOFFBUYRJ-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN Cc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815759 568963511 /nfs/dbraw/zinc/96/35/11/568963511.db2.gz SUBDKAKIQKNEOS-RUZDIDTESA-N 0 0 448.592 4.394 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817445 568964539 /nfs/dbraw/zinc/96/45/39/568964539.db2.gz ZMVMVYFGDNDDEO-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NC3CCCCC3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819582 568966573 /nfs/dbraw/zinc/96/65/73/568966573.db2.gz VCFUNLAYZHNVHU-UHFFFAOYSA-N 0 0 432.568 4.354 50 0 IIAARN COCCN1c2ccccc2[C@@]2(SCCN2C(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000036163385 568967867 /nfs/dbraw/zinc/96/78/67/568967867.db2.gz WWLGERNICGGFSN-HSZRJFAPSA-N 0 0 425.554 4.237 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3cccc(F)c3)C2=O)c1 ZINC000036164646 568968073 /nfs/dbraw/zinc/96/80/73/568968073.db2.gz GUKHBKDRJHLKOW-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccccc1F ZINC000036165906 568968332 /nfs/dbraw/zinc/96/83/32/568968332.db2.gz HRCBGDOLANWTEI-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000064835721 568968931 /nfs/dbraw/zinc/96/89/31/568968931.db2.gz PLFYZKQYQSYDLI-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(C)c1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842541 568970799 /nfs/dbraw/zinc/97/07/99/568970799.db2.gz GZJOHSICVNYGTK-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1c(C)cccc1C ZINC000064866439 568974504 /nfs/dbraw/zinc/97/45/04/568974504.db2.gz JNMDBHYQLAAHTM-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869643 568976310 /nfs/dbraw/zinc/97/63/10/568976310.db2.gz KPACNPCFKBFQRB-AWEZNQCLSA-N 0 0 425.510 4.358 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)NCc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869782 568976472 /nfs/dbraw/zinc/97/64/72/568976472.db2.gz QHWUVTQKIBSZPQ-UHFFFAOYSA-N 0 0 439.537 4.037 50 0 IIAARN CCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215836 568977792 /nfs/dbraw/zinc/97/77/92/568977792.db2.gz BWFWHNHFUYNWTI-FGZHOGPDSA-N 0 0 447.491 4.120 50 0 IIAARN CCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215828 568977803 /nfs/dbraw/zinc/97/78/03/568977803.db2.gz BWFWHNHFUYNWTI-VXKWHMMOSA-N 0 0 447.491 4.120 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000064872154 568977950 /nfs/dbraw/zinc/97/79/50/568977950.db2.gz AHSXSGQPBJKLEG-UHFFFAOYSA-N 0 0 434.514 4.282 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c(OC)c1 ZINC000064872755 568978135 /nfs/dbraw/zinc/97/81/35/568978135.db2.gz DIDKRSYYOSCLCG-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN COc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000036247122 568982180 /nfs/dbraw/zinc/98/21/80/568982180.db2.gz OFWMGRSVUOZPSU-UHFFFAOYSA-N 0 0 428.485 4.188 50 0 IIAARN COc1ccccc1CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000036247536 568982225 /nfs/dbraw/zinc/98/22/25/568982225.db2.gz PMDQSQOBBKAYRB-UHFFFAOYSA-N 0 0 428.485 4.188 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(OC)c(OC)c2)cc1 ZINC000036247604 568982303 /nfs/dbraw/zinc/98/23/03/568982303.db2.gz PSAXEPVIROHJAU-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2cccc(C)c2)cc1 ZINC000036247391 568982354 /nfs/dbraw/zinc/98/23/54/568982354.db2.gz GATHUCYSGKOCBM-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2OC)c2ccc(OC)c(OC)c2)c1 ZINC000036248510 568982783 /nfs/dbraw/zinc/98/27/83/568982783.db2.gz UAXCQGQMSHPEHW-UHFFFAOYSA-N 0 0 443.521 4.117 50 0 IIAARN CCOCCOc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006775672 568983582 /nfs/dbraw/zinc/98/35/82/568983582.db2.gz NIJKOPFNCAODCO-UHFFFAOYSA-N 0 0 426.492 4.473 50 0 IIAARN CC(C)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036254552 568984786 /nfs/dbraw/zinc/98/47/86/568984786.db2.gz SNRUXQQKZWQKNW-XMMPIXPASA-N 0 0 441.660 4.463 50 0 IIAARN O=C(NCC1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036255121 568985062 /nfs/dbraw/zinc/98/50/62/568985062.db2.gz WJQFBLULGYMPMP-QHCPKHFHSA-N 0 0 446.035 4.353 50 0 IIAARN CCc1cccc(C)c1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927629 568986628 /nfs/dbraw/zinc/98/66/28/568986628.db2.gz KRJGXUFUCIKRPP-UHFFFAOYSA-N 0 0 434.515 4.098 50 0 IIAARN O=C(NCCC1=CCCCC1)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928014 568986818 /nfs/dbraw/zinc/98/68/18/568986818.db2.gz LGFSGDAKQMVEBI-UHFFFAOYSA-N 0 0 440.975 4.109 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927388 568987144 /nfs/dbraw/zinc/98/71/44/568987144.db2.gz UHQFKPZRHAFIRG-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc(OC)c1 ZINC000064928931 568987263 /nfs/dbraw/zinc/98/72/63/568987263.db2.gz ZAYURPFOKOVDAX-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928845 568988007 /nfs/dbraw/zinc/98/80/07/568988007.db2.gz YDRJEWHCELGYQC-IBGZPJMESA-N 0 0 440.975 4.109 50 0 IIAARN CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169677892 568990172 /nfs/dbraw/zinc/99/01/72/568990172.db2.gz OPSPNZWDFQERNZ-GCJKJVERSA-N 0 0 449.492 4.484 50 0 IIAARN O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169681859 568992623 /nfs/dbraw/zinc/99/26/23/568992623.db2.gz DNCJGNHLLXUBBT-NVQXNPDNSA-N 0 0 429.539 4.052 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1 ZINC000064944138 568993263 /nfs/dbraw/zinc/99/32/63/568993263.db2.gz CQQKCKPDIYEXME-UHFFFAOYSA-N 0 0 441.582 4.400 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)NCc1ccc(F)cc1 ZINC000064944289 568993331 /nfs/dbraw/zinc/99/33/31/568993331.db2.gz QJSUQWMQCUPMJA-UHFFFAOYSA-N 0 0 431.562 4.014 50 0 IIAARN COc1cc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)cc(OC)c1 ZINC000064945053 568993420 /nfs/dbraw/zinc/99/34/20/568993420.db2.gz VVZAPLXXMNWHEK-UHFFFAOYSA-N 0 0 444.944 4.490 50 0 IIAARN CCc1cc(N2CCCC[C@@H]2C)nc(SCc2ccc(C(=O)NCCOC)cc2)n1 ZINC000006802229 568995583 /nfs/dbraw/zinc/99/55/83/568995583.db2.gz BYFGJQOANWDEKN-KRWDZBQOSA-N 0 0 428.602 4.086 50 0 IIAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000064950987 568996116 /nfs/dbraw/zinc/99/61/16/568996116.db2.gz KYUKTJSMGLBVCD-UHFFFAOYSA-N 0 0 426.398 4.153 50 0 IIAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c2cc(C)ccc2O1 ZINC000064952296 568998252 /nfs/dbraw/zinc/99/82/52/568998252.db2.gz NNNFXEXSBBKKNF-KRWDZBQOSA-N 0 0 446.594 4.210 50 0 IIAARN O=S(=O)(c1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957152 568999482 /nfs/dbraw/zinc/99/94/82/568999482.db2.gz BCVMFSCPDZRFHV-UHFFFAOYSA-N 0 0 433.533 4.001 50 0 IIAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000064969100 569076112 /nfs/dbraw/zinc/07/61/12/569076112.db2.gz YLBAEXYMKGOPHZ-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Br)c(Br)s1 ZINC000036339015 569076691 /nfs/dbraw/zinc/07/66/91/569076691.db2.gz AARJTGJIJJSUOH-VIFPVBQESA-N 0 0 447.148 4.185 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000064971810 569076790 /nfs/dbraw/zinc/07/67/90/569076790.db2.gz ZQYUFSUMZTYRML-UHFFFAOYSA-N 0 0 442.519 4.115 50 0 IIAARN Cc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O ZINC000064971758 569076799 /nfs/dbraw/zinc/07/67/99/569076799.db2.gz TYMNDOKJWUJZRW-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000064972217 569076967 /nfs/dbraw/zinc/07/69/67/569076967.db2.gz FAEQLKIWLWJHBJ-JOCHJYFZSA-N 0 0 442.487 4.028 50 0 IIAARN COc1cccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976691 569077166 /nfs/dbraw/zinc/07/71/66/569077166.db2.gz JIRCLUDILVUEPP-UHFFFAOYSA-N 0 0 441.896 4.249 50 0 IIAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)COc3ccc(C)cc3)cc(=O)n12 ZINC000064976800 569077274 /nfs/dbraw/zinc/07/72/74/569077274.db2.gz FOVGWLYCDBWEAP-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN Cc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)c(C)c1 ZINC000064977879 569077699 /nfs/dbraw/zinc/07/76/99/569077699.db2.gz BEMUXDXOOLALMS-UHFFFAOYSA-N 0 0 426.451 4.350 50 0 IIAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(C)cc4C)c(=O)n3n2)cc1 ZINC000064977857 569077735 /nfs/dbraw/zinc/07/77/35/569077735.db2.gz ZMERLCWJPWFXFV-UHFFFAOYSA-N 0 0 438.487 4.220 50 0 IIAARN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000064978085 569077759 /nfs/dbraw/zinc/07/77/59/569077759.db2.gz DLTGEYHXGBAJEA-UHFFFAOYSA-N 0 0 430.504 4.145 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341326 569079355 /nfs/dbraw/zinc/07/93/55/569079355.db2.gz UVQYVOZIUQOAKR-JOCHJYFZSA-N 0 0 425.504 4.007 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCCCC2)c(OC)c1 ZINC000036343178 569079639 /nfs/dbraw/zinc/07/96/39/569079639.db2.gz QGDRQRYQZZLUCU-JOCHJYFZSA-N 0 0 425.504 4.007 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2)C1 ZINC000036344305 569080077 /nfs/dbraw/zinc/08/00/77/569080077.db2.gz CWHIBUSIEMDKFP-RDGATRHJSA-N 0 0 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O=C(NCc1ccc(Cl)cc1)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 ZINC000064999390 569085797 /nfs/dbraw/zinc/08/57/97/569085797.db2.gz RXXLZAHKQPQLRS-UHFFFAOYSA-N 0 0 426.307 4.354 50 0 IIAARN Cc1cccc(CNC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000292 569085884 /nfs/dbraw/zinc/08/58/84/569085884.db2.gz VORHRGQSQGUSLK-UHFFFAOYSA-N 0 0 432.495 4.370 50 0 IIAARN COc1ccc(OCC(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1 ZINC000036366189 569087170 /nfs/dbraw/zinc/08/71/70/569087170.db2.gz NAGFADMCDWQVNW-UHFFFAOYSA-N 0 0 442.519 4.473 50 0 IIAARN COCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006263 569087296 /nfs/dbraw/zinc/08/72/96/569087296.db2.gz VUNLWPWDIGSWEZ-UHFFFAOYSA-N 0 0 449.551 4.198 50 0 IIAARN COc1ccc(F)cc1-c1cc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)ncn1 ZINC000065008064 569087316 /nfs/dbraw/zinc/08/73/16/569087316.db2.gz QBOYORSQFVGRDZ-UHFFFAOYSA-N 0 0 435.503 4.262 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000065007885 569087400 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/nfs/dbraw/zinc/11/49/81/569114981.db2.gz SEJDAIIWNHFYCS-UHFFFAOYSA-N 0 0 430.508 4.012 50 0 IIAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199002 569115076 /nfs/dbraw/zinc/11/50/76/569115076.db2.gz SQOINBQXKUBJRJ-UHFFFAOYSA-N 0 0 442.928 4.095 50 0 IIAARN CC1CCN(Cc2csc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)CC1 ZINC000065200607 569115191 /nfs/dbraw/zinc/11/51/91/569115191.db2.gz MOHHVFSQHQQPIS-UHFFFAOYSA-N 0 0 425.023 4.052 50 0 IIAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4cc(C)ccc4C)cs3)CC2)c1 ZINC000065211618 569116600 /nfs/dbraw/zinc/11/66/00/569116600.db2.gz PXEKHCWKPGZKTE-UHFFFAOYSA-N 0 0 436.581 4.025 50 0 IIAARN Cc1nn2c(CNS(=O)(=O)c3cc(C)c(C)cc3C)c(-c3ccccc3)nc2s1 ZINC000065217346 569117070 /nfs/dbraw/zinc/11/70/70/569117070.db2.gz CSGOLJHLRROJSN-UHFFFAOYSA-N 0 0 426.567 4.170 50 0 IIAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2ccccc2Cl)s1 ZINC000065217444 569117168 /nfs/dbraw/zinc/11/71/68/569117168.db2.gz OXNCFYWYWOZIRK-UHFFFAOYSA-N 0 0 446.985 4.293 50 0 IIAARN O=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000065220459 569117262 /nfs/dbraw/zinc/11/72/62/569117262.db2.gz QQUFDIFCEBQAGK-UHFFFAOYSA-N 0 0 427.838 4.422 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219122 569117414 /nfs/dbraw/zinc/11/74/14/569117414.db2.gz BRXQLMWDWUHXIX-CYBMUJFWSA-N 0 0 436.468 4.361 50 0 IIAARN Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)cc4Cl)CC3)o2)cc1 ZINC000065229553 569118135 /nfs/dbraw/zinc/11/81/35/569118135.db2.gz AHVSXFHWYZKGTF-UHFFFAOYSA-N 0 0 428.895 4.370 50 0 IIAARN O=C(N[C@H](C(=O)NCc1ccncc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000036569740 569118345 /nfs/dbraw/zinc/11/83/45/569118345.db2.gz ADKHDWLYRWGSDF-SANMLTNESA-N 0 0 435.527 4.387 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2C1=O ZINC000065241611 569118803 /nfs/dbraw/zinc/11/88/03/569118803.db2.gz DUQOHZSOIJQQAE-MRXNPFEDSA-N 0 0 437.521 4.284 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2C1=O ZINC000065241597 569118908 /nfs/dbraw/zinc/11/89/08/569118908.db2.gz NLZJOFUNPGZKIJ-UHFFFAOYSA-N 0 0 439.493 4.054 50 0 IIAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cc(C)ccc3F)cc2C1=O ZINC000065241581 569118929 /nfs/dbraw/zinc/11/89/29/569118929.db2.gz YIKHBXZRMTYVJO-UHFFFAOYSA-N 0 0 427.457 4.102 50 0 IIAARN CSc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1 ZINC000065232324 569119008 /nfs/dbraw/zinc/11/90/08/569119008.db2.gz RAHSDBXUTDTCDQ-UHFFFAOYSA-N 0 0 428.558 4.352 50 0 IIAARN Cc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)sc1C(=O)NCc1ccc(F)cc1 ZINC000065232977 569119086 /nfs/dbraw/zinc/11/90/86/569119086.db2.gz UXQHUEGKGUTSSI-UHFFFAOYSA-N 0 0 435.883 4.494 50 0 IIAARN COc1ccc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccccc3)s2)cc1Cl ZINC000065232948 569119106 /nfs/dbraw/zinc/11/91/06/569119106.db2.gz SBOBMZMCYAYYEK-UHFFFAOYSA-N 0 0 429.929 4.225 50 0 IIAARN CCN1c2ccc(C)cc2C(=O)NC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000065235177 569119200 /nfs/dbraw/zinc/11/92/00/569119200.db2.gz JBUXJXHRFMBWOW-UHFFFAOYSA-N 0 0 431.458 4.216 50 0 biogenic IIAARN Cc1csc(-c2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nc2)n1 ZINC000065240694 569120860 /nfs/dbraw/zinc/12/08/60/569120860.db2.gz UROWIFSIKTUOFV-UHFFFAOYSA-N 0 0 443.370 4.238 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1 ZINC000065250810 569122143 /nfs/dbraw/zinc/12/21/43/569122143.db2.gz ODLTXOFGWKXRAZ-UHFFFAOYSA-N 0 0 432.484 4.184 50 0 IIAARN Cc1nc(-c2nc(-c3cccs3)cs2)cn1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000065250565 569122160 /nfs/dbraw/zinc/12/21/60/569122160.db2.gz AZOOLKHVGOWQKA-UHFFFAOYSA-N 0 0 449.605 4.392 50 0 IIAARN COc1cccc(-c2cc(C(=O)Nc3ccc(-n4cccn4)cc3)c3c(C)nn(C)c3n2)c1 ZINC000036615927 569122667 /nfs/dbraw/zinc/12/26/67/569122667.db2.gz SJLAAIXJKIKEID-UHFFFAOYSA-N 0 0 438.491 4.390 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccc(C)n4)cc3)c3cnn(C)c3n2)cc1 ZINC000036613298 569123731 /nfs/dbraw/zinc/12/37/31/569123731.db2.gz DFQMDKGLSLZBEC-UHFFFAOYSA-N 0 0 438.491 4.390 50 0 IIAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)n1 ZINC000036613636 569123957 /nfs/dbraw/zinc/12/39/57/569123957.db2.gz SPOXCCGIXKDMLE-KRWDZBQOSA-N 0 0 442.567 4.297 50 0 IIAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000065258022 569124159 /nfs/dbraw/zinc/12/41/59/569124159.db2.gz MPTPXOXLRQWNTD-UHFFFAOYSA-N 0 0 443.910 4.400 50 0 IIAARN CCOc1ccccc1C(=O)N1CCCN(c2ncccc2-c2nc(C(C)C)no2)CC1 ZINC000065258041 569124197 /nfs/dbraw/zinc/12/41/97/569124197.db2.gz XZLDQNSHPPASNE-UHFFFAOYSA-N 0 0 435.528 4.006 50 0 IIAARN CCn1nccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(-c3cccc(OC)c3)c21 ZINC000036619294 569124677 /nfs/dbraw/zinc/12/46/77/569124677.db2.gz BCHLGSZMAQDMAZ-CQSZACIVSA-N 0 0 431.496 4.483 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1OC ZINC000065260086 569125018 /nfs/dbraw/zinc/12/50/18/569125018.db2.gz TUDZOMBOXSGLKA-RUZDIDTESA-N 0 0 436.556 4.222 50 0 IIAARN O=C(CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O)Nc1ccccc1F ZINC000036621472 569126178 /nfs/dbraw/zinc/12/61/78/569126178.db2.gz FCPRATQMNOUEHV-UHFFFAOYSA-N 0 0 440.425 4.352 50 0 IIAARN CCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)N1CCCc2cc(C)ccc21 ZINC000036621480 569126202 /nfs/dbraw/zinc/12/62/02/569126202.db2.gz QVWAZACLBKECTL-UHFFFAOYSA-N 0 0 428.483 4.142 50 0 IIAARN O=C(CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O)NC1CCCCCC1 ZINC000036621395 569126209 /nfs/dbraw/zinc/12/62/09/569126209.db2.gz GZLYWOXTCULXTA-UHFFFAOYSA-N 0 0 442.510 4.413 50 0 IIAARN O=C(c1ccn2c(c1)nnc2-c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065296155 569131492 /nfs/dbraw/zinc/13/14/92/569131492.db2.gz VENJMWMUUWGZIE-UHFFFAOYSA-N 0 0 435.890 4.151 50 0 IIAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)cc1 ZINC000065315520 569134093 /nfs/dbraw/zinc/13/40/93/569134093.db2.gz YHDPBVHKWNXBRM-IBGZPJMESA-N 0 0 443.592 4.157 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314010 569135303 /nfs/dbraw/zinc/13/53/03/569135303.db2.gz DFUKMFHQXGUHJA-QFIPXVFZSA-N 0 0 430.552 4.270 50 0 IIAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000036712382 569137320 /nfs/dbraw/zinc/13/73/20/569137320.db2.gz LEISWQCKWZYOAZ-UHFFFAOYSA-N 0 0 447.560 4.396 50 0 IIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(SC)c1)C[C@H]1CSCN12 ZINC000037009724 569139633 /nfs/dbraw/zinc/13/96/33/569139633.db2.gz RVMJGUKJMNWUAL-QUZZAMIASA-N 0 0 439.606 4.004 50 0 biogenic IIAARN C[S@](=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)cc1 ZINC000065610251 569140204 /nfs/dbraw/zinc/14/02/04/569140204.db2.gz FNLMQCRTWZPGJC-SSEXGKCCSA-N 0 0 429.492 4.112 50 0 IIAARN O=C1CC[C@@H](Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)C(=O)N1 ZINC000170596286 569141893 /nfs/dbraw/zinc/14/18/93/569141893.db2.gz RLYUUJMMMPVJJI-OAHLLOKOSA-N 0 0 433.320 4.138 50 0 IIAARN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000170602351 569143315 /nfs/dbraw/zinc/14/33/15/569143315.db2.gz FJMHVUCZMILWDE-BMFZPTHFSA-N 0 0 428.451 4.157 50 0 IIAARN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc21 ZINC000170602919 569143476 /nfs/dbraw/zinc/14/34/76/569143476.db2.gz XPXLXJJIRJJHFJ-RDTXWAMCSA-N 0 0 432.314 4.300 50 0 IIAARN CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccc2[nH]ccc2c1 ZINC000170606416 569144118 /nfs/dbraw/zinc/14/41/18/569144118.db2.gz KQHHGXPKYRGRBX-UHFFFAOYSA-N 0 0 439.581 4.239 50 0 IIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccn([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000170611539 569145280 /nfs/dbraw/zinc/14/52/80/569145280.db2.gz VGGUARSXOYETDA-RDJZCZTQSA-N 0 0 432.496 4.000 50 0 IIAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000037277001 569145357 /nfs/dbraw/zinc/14/53/57/569145357.db2.gz DRSUWJKEWJEYJG-UHFFFAOYSA-N 0 0 425.960 4.365 50 0 IIAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000207972926 569145712 /nfs/dbraw/zinc/14/57/12/569145712.db2.gz FEMQTVBDRKSZIP-GOSISDBHSA-N 0 0 434.439 4.104 50 0 IIAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cccc(OC)c4nc3Cl)C2)cc1 ZINC000170612458 569145947 /nfs/dbraw/zinc/14/59/47/569145947.db2.gz HQRVPPGLOZBMLZ-GOSISDBHSA-N 0 0 445.928 4.016 50 0 IIAARN O=C(NCc1nccn1-c1ccccc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000170617857 569146851 /nfs/dbraw/zinc/14/68/51/569146851.db2.gz HQTXMORKRFZNHY-UHFFFAOYSA-N 0 0 436.874 4.245 50 0 IIAARN O=S(=O)(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000170621857 569147791 /nfs/dbraw/zinc/14/77/91/569147791.db2.gz RSTUYDQMMOOVDO-LJQANCHMSA-N 0 0 449.429 4.313 50 0 IIAARN COc1cc(C(=O)c2coc3ccc(OCC(=O)OC(C)C)cc23)cc(OC)c1OC ZINC000170622165 569147859 /nfs/dbraw/zinc/14/78/59/569147859.db2.gz IFSAFXBUEJKDMB-UHFFFAOYSA-N 0 0 428.437 4.020 50 0 IIAARN COc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000170622648 569148010 /nfs/dbraw/zinc/14/80/10/569148010.db2.gz ACEHGULTERZPCN-GOSISDBHSA-N 0 0 444.286 4.372 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1nc2c(cccc2F)n1C ZINC000170623988 569148374 /nfs/dbraw/zinc/14/83/74/569148374.db2.gz IJQSRQWHMHDYOF-UHFFFAOYSA-N 0 0 430.842 4.441 50 0 IIAARN O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000170626535 569148718 /nfs/dbraw/zinc/14/87/18/569148718.db2.gz VCCZHABVWFBWFG-IBGZPJMESA-N 0 0 429.517 4.279 50 0 IIAARN CCN(Cc1ccccc1)C(=O)CSCc1nc(N)nc(Nc2ccc(Cl)cc2)n1 ZINC000009882392 569149685 /nfs/dbraw/zinc/14/96/85/569149685.db2.gz PPNISMYOEZPNJH-UHFFFAOYSA-N 0 0 442.976 4.133 50 0 IIAARN O=C(CCSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009882862 569149836 /nfs/dbraw/zinc/14/98/36/569149836.db2.gz ICWAULNECJWBEB-UHFFFAOYSA-N 0 0 447.607 4.202 50 0 IIAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000009883943 569150241 /nfs/dbraw/zinc/15/02/41/569150241.db2.gz ILINDDVGYPUAAR-UHFFFAOYSA-N 0 0 447.568 4.185 50 0 IIAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000071283061 569150659 /nfs/dbraw/zinc/15/06/59/569150659.db2.gz OBJUVLFUUAMZFB-UHFFFAOYSA-N 0 0 441.318 4.057 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1C ZINC000009956192 569151306 /nfs/dbraw/zinc/15/13/06/569151306.db2.gz LXLFFWXCKMTCSW-QHCPKHFHSA-N 0 0 426.582 4.068 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)c1ccc(C)c(NC(=O)c3ccco3)c1)O[C@@H](C)C2 ZINC000010220095 569152823 /nfs/dbraw/zinc/15/28/23/569152823.db2.gz YVWOMEOXNGMCOM-INIZCTEOSA-N 0 0 434.492 4.492 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)nc1C ZINC000014078342 569157618 /nfs/dbraw/zinc/15/76/18/569157618.db2.gz XEXJGSZTQIRTTM-UHFFFAOYSA-N 0 0 428.495 4.454 50 0 IIAARN O=C(CCn1cnc2sccc2c1=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014050882 569157631 /nfs/dbraw/zinc/15/76/31/569157631.db2.gz YKBWYQAQEJCBQD-GOSISDBHSA-N 0 0 448.573 4.339 50 0 IIAARN COc1ccc(-c2noc(CCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000014189161 569158014 /nfs/dbraw/zinc/15/80/14/569158014.db2.gz DCRNTVXSQMRSJF-SBNSQYLKSA-N 0 0 439.556 4.408 50 0 IIAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000014317591 569158499 /nfs/dbraw/zinc/15/84/99/569158499.db2.gz JWRWOKFWDROMCW-UHFFFAOYSA-N 0 0 428.488 4.124 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014375551 569158827 /nfs/dbraw/zinc/15/88/27/569158827.db2.gz SDRVXBQRSMSRCS-UHFFFAOYSA-N 0 0 440.906 4.254 50 0 IIAARN CC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000089669324 569161164 /nfs/dbraw/zinc/16/11/64/569161164.db2.gz ZEYNGFYURDFSLP-XMMPIXPASA-N 0 0 433.533 4.493 50 0 IIAARN CCOC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1OC ZINC000016841850 569163377 /nfs/dbraw/zinc/16/33/77/569163377.db2.gz PHLYUTZNZCNHQQ-UHFFFAOYSA-N 0 0 449.532 4.104 50 0 IIAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000016845625 569163961 /nfs/dbraw/zinc/16/39/61/569163961.db2.gz PDRNNLZULSDGJA-UHFFFAOYSA-N 0 0 428.370 4.036 50 0 IIAARN CCSc1nnc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)s1 ZINC000016849063 569164555 /nfs/dbraw/zinc/16/45/55/569164555.db2.gz DIXSAEMFSTYWRE-UHFFFAOYSA-N 0 0 434.572 4.322 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1nnc2n1CCCC2)c1ccccc1 ZINC000089825874 569165210 /nfs/dbraw/zinc/16/52/10/569165210.db2.gz RHOGUOLYAYSFEY-HXUWFJFHSA-N 0 0 429.446 4.103 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1nnc2n1CCCC2)c1ccccc1 ZINC000089825871 569165227 /nfs/dbraw/zinc/16/52/27/569165227.db2.gz RHOGUOLYAYSFEY-FQEVSTJZSA-N 0 0 429.446 4.103 50 0 IIAARN NC(=O)CSc1ccccc1NC(=O)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830416 569165564 /nfs/dbraw/zinc/16/55/64/569165564.db2.gz ZKRYKVSJYZUXLB-QHCPKHFHSA-N 0 0 445.588 4.045 50 0 IIAARN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000089851228 569166174 /nfs/dbraw/zinc/16/61/74/569166174.db2.gz CZJVUMASLVPZOC-QFIPXVFZSA-N 0 0 428.536 4.060 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000089893482 569166695 /nfs/dbraw/zinc/16/66/95/569166695.db2.gz WJGZWDLFWJNWCG-XUZZJYLKSA-N 0 0 440.588 4.232 50 0 IIAARN CCSc1nnc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)s1 ZINC000016978857 569169200 /nfs/dbraw/zinc/16/92/00/569169200.db2.gz HEJSEIPTRCSXPF-UHFFFAOYSA-N 0 0 440.620 4.132 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CSC(=S)N1CCC(C)CC1 ZINC000089984796 569169992 /nfs/dbraw/zinc/16/99/92/569169992.db2.gz UFFABWPVZXWLPZ-UHFFFAOYSA-N 0 0 435.567 4.403 50 0 IIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000017011977 569170450 /nfs/dbraw/zinc/17/04/50/569170450.db2.gz GXMLGFKRANYJMI-UHFFFAOYSA-N 0 0 429.871 4.215 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Cc4ccc(F)cc4)ccc32)cc1 ZINC000017050704 569171749 /nfs/dbraw/zinc/17/17/49/569171749.db2.gz LBUZOXVCFITSKG-UHFFFAOYSA-N 0 0 438.524 4.457 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)cc4F)ncn3)CC2)cc1 ZINC000037356282 569171966 /nfs/dbraw/zinc/17/19/66/569171966.db2.gz VKUBHAJZCFHRJO-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN CC(C)c1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000017113666 569174169 /nfs/dbraw/zinc/17/41/69/569174169.db2.gz CTUJALVUEYKBEI-UHFFFAOYSA-N 0 0 436.899 4.047 50 0 IIAARN CCc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000008984291 569174755 /nfs/dbraw/zinc/17/47/55/569174755.db2.gz CADIWYAUHCLYAP-UHFFFAOYSA-N 0 0 448.654 4.401 50 0 IIAARN CCc1cc2c(nc(SCC(=O)NC3CCCCC3)n(Cc3ccco3)c2=O)s1 ZINC000001057018 569176629 /nfs/dbraw/zinc/17/66/29/569176629.db2.gz FNRYUITUAKHNRC-UHFFFAOYSA-N 0 0 431.583 4.203 50 0 IIAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1F ZINC000002877315 569177648 /nfs/dbraw/zinc/17/76/48/569177648.db2.gz QQVMPHWCTXXEOK-UHFFFAOYSA-N 0 0 434.876 4.297 50 0 IIAARN CCN1CCN(C(=O)c2cc3occc3c(Nc3ccc(Br)c(C)c3)n2)CC1 ZINC000096323735 569178162 /nfs/dbraw/zinc/17/81/62/569178162.db2.gz YWOZGACGCHBKEU-UHFFFAOYSA-N 0 0 443.345 4.420 50 0 IIAARN Cc1sc2nc(CCC(=O)NC3(c4cccc(Br)c4)CC3)[nH]c(=O)c2c1C ZINC000170636973 569178321 /nfs/dbraw/zinc/17/83/21/569178321.db2.gz HPXCMBOQHZRGHL-UHFFFAOYSA-N 0 0 446.370 4.102 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1cccc(N3CCCCCC3)c1)C[C@@H]2O ZINC000170637554 569178451 /nfs/dbraw/zinc/17/84/51/569178451.db2.gz MCKWWIMGEOPNKE-FQEVSTJZSA-N 0 0 425.529 4.165 50 0 IIAARN O=C(N[C@H](C(=O)Oc1ccc2ccc(=O)oc2c1)c1ccccc1)OCc1ccccc1 ZINC000002093904 569179075 /nfs/dbraw/zinc/17/90/75/569179075.db2.gz XFLVOZLOPPWUQG-QHCPKHFHSA-N 0 0 429.428 4.366 50 0 biogenic IIAARN Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)cc1 ZINC000002095117 569179110 /nfs/dbraw/zinc/17/91/10/569179110.db2.gz ZYMQZIUGZFDEFL-IGKIAQTJSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002094514 569179199 /nfs/dbraw/zinc/17/91/99/569179199.db2.gz HXIYOIIUPKFHCW-OZXSUGGESA-N 0 0 445.563 4.013 50 0 biogenic IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002095993 569179246 /nfs/dbraw/zinc/17/92/46/569179246.db2.gz QBIAWVANQHYYFB-SFHVURJKSA-N 0 0 447.553 4.224 50 0 biogenic IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccn1 ZINC000002397235 569180755 /nfs/dbraw/zinc/18/07/55/569180755.db2.gz VOFOYCGHQUZBRH-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000002399269 569180771 /nfs/dbraw/zinc/18/07/71/569180771.db2.gz LUQOKNVCIZALQH-UHFFFAOYSA-N 0 0 443.594 4.486 50 0 IIAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC(C)C)CC(=O)N12 ZINC000002108613 569181690 /nfs/dbraw/zinc/18/16/90/569181690.db2.gz SQQHPQJRPCDOMT-BKMJKUGQSA-N 0 0 445.563 4.298 50 0 biogenic IIAARN CCCCOc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1C ZINC000002112363 569182066 /nfs/dbraw/zinc/18/20/66/569182066.db2.gz NHFAXISHLPUFFJ-NIYFSFCBSA-N 0 0 441.568 4.285 50 0 biogenic IIAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCC3)CC(=O)N21 ZINC000002113778 569182206 /nfs/dbraw/zinc/18/22/06/569182206.db2.gz OKSBHCJHHFHXKW-NVQXNPDNSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(OC)c1 ZINC000252453076 569184143 /nfs/dbraw/zinc/18/41/43/569184143.db2.gz BGSDUYZDQCDMJD-JLZXMEHYSA-N 0 0 436.552 4.342 50 0 IIAARN CCOc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001232188 569185533 /nfs/dbraw/zinc/18/55/33/569185533.db2.gz AOIGZBVDVHSAQW-INIZCTEOSA-N 0 0 446.787 4.498 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OC[C@H](O)COCc2ccccc2F)cc1 ZINC000027212852 569186197 /nfs/dbraw/zinc/18/61/97/569186197.db2.gz HKIKLSXRRRUDEV-LJQANCHMSA-N 0 0 425.456 4.043 50 0 IIAARN CCCCCN=c1c(Br)cccn1C(=O)c1cncc(Br)c1 ZINC000252504406 569188227 /nfs/dbraw/zinc/18/82/27/569188227.db2.gz AVKPIVDHCLWWEY-UHFFFAOYSA-N 0 0 427.140 4.188 50 0 IIAARN O=C(COc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2cccs2)cc1)N1CCCC1 ZINC000252507689 569188376 /nfs/dbraw/zinc/18/83/76/569188376.db2.gz WRRNMKBNDRGIBY-FQEVSTJZSA-N 0 0 449.532 4.334 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc2)C[C@@H](C)O1 ZINC000252587268 569191594 /nfs/dbraw/zinc/19/15/94/569191594.db2.gz WXHTZBXZAHLIRN-DBXWQHBBSA-N 0 0 446.592 4.163 50 0 IIAARN O=C(CCn1c(Cc2ccc(F)cc2)nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000037397124 569193073 /nfs/dbraw/zinc/19/30/73/569193073.db2.gz YPKLSEWQVTUAMH-UHFFFAOYSA-N 0 0 431.467 4.201 50 0 IIAARN CCS(=O)(=O)Oc1ccccc1CN(Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000037400578 569194896 /nfs/dbraw/zinc/19/48/96/569194896.db2.gz MEPWXWMHABSGSB-UHFFFAOYSA-N 0 0 433.526 4.458 50 0 IIAARN O=C(NC1CC1)[C@H]1CCCN(C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000037426521 569195668 /nfs/dbraw/zinc/19/56/68/569195668.db2.gz SBBZPAZFPAAMGO-NSHDSACASA-N 0 0 439.368 4.324 50 0 IIAARN Cc1cn(Cc2ccc(C(=O)NCc3ccco3)o2)/c(=N/C(=O)c2cccc(C)c2)s1 ZINC000037436100 569196126 /nfs/dbraw/zinc/19/61/26/569196126.db2.gz CBDRJEOHKUUQRU-BZZOAKBMSA-N 0 0 435.505 4.072 50 0 IIAARN CC[C@H](C(=O)NCc1ccccn1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037436614 569196302 /nfs/dbraw/zinc/19/63/02/569196302.db2.gz XLQBYPRDAPOZKR-BOLJVCIBSA-N 0 0 449.363 4.260 50 0 IIAARN CC(C)CC(=O)N1CCN(CCN2C(=O)[C@H](C)S[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000037438133 569196423 /nfs/dbraw/zinc/19/64/23/569196423.db2.gz VRZNRFNTVXMUTN-YADARESESA-N 0 0 445.673 4.137 50 0 IIAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccco2)CC1 ZINC000037524822 569198670 /nfs/dbraw/zinc/19/86/70/569198670.db2.gz ITASOZRHZIQTDJ-UHFFFAOYSA-N 0 0 431.536 4.259 50 0 IIAARN O=C(NCc1cccc(F)c1)c1ccccc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000037525578 569198842 /nfs/dbraw/zinc/19/88/42/569198842.db2.gz VMCYUYTUQZXKCO-UHFFFAOYSA-N 0 0 437.559 4.421 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037524521 569198868 /nfs/dbraw/zinc/19/88/68/569198868.db2.gz NDLHLDJHKQLABD-UHFFFAOYSA-N 0 0 449.501 4.294 50 0 IIAARN COc1ccc(CCNC(=O)[C@@H]2CC[C@H](c3cccc(C)c3)N(C(=O)NC(C)C)C2)cc1 ZINC000037546638 569200220 /nfs/dbraw/zinc/20/02/20/569200220.db2.gz FQTHTLIVWMHZGR-ISKFKSNPSA-N 0 0 437.584 4.234 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037547641 569200354 /nfs/dbraw/zinc/20/03/54/569200354.db2.gz LKBLKVJFESUHQE-RPWUZVMVSA-N 0 0 438.549 4.227 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2ccccc2Cl)c1=O ZINC000037557673 569200710 /nfs/dbraw/zinc/20/07/10/569200710.db2.gz SYGLQRQSSFTHFV-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000195587363 569204338 /nfs/dbraw/zinc/20/43/38/569204338.db2.gz FSOLQEBISVJJGG-GFCCVEGCSA-N 0 0 435.398 4.142 50 0 IIAARN CC1(C)Cc2nc3oc4c(ncnc4SCC(=O)NCCc4ccccc4)c3cc2CO1 ZINC000002219385 569204377 /nfs/dbraw/zinc/20/43/77/569204377.db2.gz KULSDLYVMFWUFJ-UHFFFAOYSA-N 0 0 448.548 4.073 50 0 IIAARN O=C(NCc1cccc(Cl)c1)C1=NO[C@@H](Cc2noc(-c3cccc(Cl)c3)n2)C1 ZINC000066088993 569205719 /nfs/dbraw/zinc/20/57/19/569205719.db2.gz BPAAZKBLXOCUSX-MRXNPFEDSA-N 0 0 431.279 4.047 50 0 IIAARN Cc1nc2ccccc2n1CCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000015140616 569209281 /nfs/dbraw/zinc/20/92/81/569209281.db2.gz URZDKXGLJDUVJA-UHFFFAOYSA-N 0 0 448.836 4.070 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 ZINC000002260980 569215730 /nfs/dbraw/zinc/21/57/30/569215730.db2.gz AWIUCVZCBWPXQG-GRVPHDJPSA-N 0 0 445.544 4.361 50 0 IIAARN COCc1cc(C)nc(N=NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C#N ZINC000027497217 569215792 /nfs/dbraw/zinc/21/57/92/569215792.db2.gz CVKCIJPVEBJPAX-UHFFFAOYSA-N 0 0 431.452 4.341 50 0 IIAARN Cc1cc(OC(=O)CCCNC(=O)OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002263928 569216041 /nfs/dbraw/zinc/21/60/41/569216041.db2.gz WUENRLFSQUJDCB-UHFFFAOYSA-N 0 0 435.476 4.202 50 0 IIAARN Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(F)cc1 ZINC000002265260 569216144 /nfs/dbraw/zinc/21/61/44/569216144.db2.gz UHSNIVFVUUOVMN-UHFFFAOYSA-N 0 0 449.511 4.108 50 0 IIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CN1Cc2cc(C)ccc2O[C@H](c2ccsc2)C1 ZINC000011840228 569256648 /nfs/dbraw/zinc/25/66/48/569256648.db2.gz IVACZMZUGLULSF-ZHRRBRCNSA-N 0 0 438.597 4.220 50 0 IIAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1Cl ZINC000059437956 569258535 /nfs/dbraw/zinc/25/85/35/569258535.db2.gz LBAWSBIVZWUDKI-UHFFFAOYSA-N 0 0 435.130 4.286 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002286854 569263974 /nfs/dbraw/zinc/26/39/74/569263974.db2.gz IOJOUDNVYMXRKS-LFVJCYFKSA-N 0 0 427.479 4.437 50 0 IIAARN CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)N(C)c4ccccc4)nc(N)c23)CO1 ZINC000002289682 569264398 /nfs/dbraw/zinc/26/43/98/569264398.db2.gz HWTFCMRQVPAVMO-HNNXBMFYSA-N 0 0 428.583 4.126 50 0 IIAARN COc1ccc(NC(=O)[C@](C)(O)c2ccccc2C(F)(F)F)cc1N1CCCCC1=O ZINC000253405760 569265351 /nfs/dbraw/zinc/26/53/51/569265351.db2.gz QEORRGLHVQXGRB-OAQYLSRUSA-N 0 0 436.430 4.077 50 0 IIAARN CO[C@@H](C)c1noc(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)n1 ZINC000253415653 569266424 /nfs/dbraw/zinc/26/64/24/569266424.db2.gz WGUDJDJFQIPDQL-KRWDZBQOSA-N 0 0 442.947 4.332 50 0 IIAARN CC(C)c1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C ZINC000253424203 569267023 /nfs/dbraw/zinc/26/70/23/569267023.db2.gz BSSLNKFWQPUULB-LJQANCHMSA-N 0 0 427.549 4.369 50 0 IIAARN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1 ZINC000253428241 569267530 /nfs/dbraw/zinc/26/75/30/569267530.db2.gz ILVHJACVMHZJET-HXUWFJFHSA-N 0 0 435.528 4.043 50 0 IIAARN COC(=O)[C@]1(CC(=O)c2ccc(F)cc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 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/nfs/dbraw/zinc/33/45/39/569334539.db2.gz ZXZKPBXOLRXLDZ-XLRMEXJBSA-N 0 0 429.601 4.152 50 0 biogenic IIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000020116388 569335149 /nfs/dbraw/zinc/33/51/49/569335149.db2.gz CTASOGSYEDGLAA-GOSISDBHSA-N 0 0 434.970 4.238 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000020135924 569335666 /nfs/dbraw/zinc/33/56/66/569335666.db2.gz XPVODBIWOLJBMF-UHFFFAOYSA-N 0 0 445.422 4.071 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137178 569335860 /nfs/dbraw/zinc/33/58/60/569335860.db2.gz XQHMLUMTHYLWBI-QGZVFWFLSA-N 0 0 440.468 4.425 50 0 IIAARN CCOC(=O)CSC1=N/C(=C/c2ccccc2OC)C(=O)N1c1ccc(OCC)cc1 ZINC000020152047 569336546 /nfs/dbraw/zinc/33/65/46/569336546.db2.gz LYRHRMLWZVEJJU-XMHGGMMESA-N 0 0 440.521 4.134 50 0 IIAARN CCOC(CNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1C)S2)OCC ZINC000020180095 569355035 /nfs/dbraw/zinc/35/50/35/569355035.db2.gz TWNUXWUCWOETMP-STZFKDTASA-N 0 0 440.565 4.234 50 0 IIAARN COc1ccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(Cl)c4)ccc3c2=O)cc1 ZINC000094993030 569355792 /nfs/dbraw/zinc/35/57/92/569355792.db2.gz POHHLOYBRCLYFG-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccc(F)cc4)cc23)cc1OC ZINC000020233578 569357251 /nfs/dbraw/zinc/35/72/51/569357251.db2.gz HVXFWLCIQISADC-UHFFFAOYSA-N 0 0 425.485 4.388 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSCc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020241260 569357923 /nfs/dbraw/zinc/35/79/23/569357923.db2.gz BEEMVIWTAASMEY-LJQANCHMSA-N 0 0 430.570 4.247 50 0 IIAARN C[C@@H]1CN(c2ccc(C(=O)NC3(c4ccc(Br)cc4)CCC3)cn2)C[C@@H](C)O1 ZINC000095364880 569362385 /nfs/dbraw/zinc/36/23/85/569362385.db2.gz SZSDEJVCDGJSET-HZPDHXFCSA-N 0 0 444.373 4.267 50 0 IIAARN O=C(NCc1ccco1)c1cccc(Cn2cnc3sc4c(c3c2=O)CCCCC4)c1 ZINC000095364746 569362406 /nfs/dbraw/zinc/36/24/06/569362406.db2.gz GAEVZKYLWIBPJG-UHFFFAOYSA-N 0 0 433.533 4.298 50 0 IIAARN COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2cc1OC ZINC000020380977 569362645 /nfs/dbraw/zinc/36/26/45/569362645.db2.gz ALLTZNAUSFHAMZ-UHFFFAOYSA-N 0 0 426.538 4.321 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)c(OC)c1 ZINC000020385157 569363038 /nfs/dbraw/zinc/36/30/38/569363038.db2.gz CVXQCIDDSUQRMG-UHFFFAOYSA-N 0 0 434.517 4.393 50 0 biogenic IIAARN O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000095392992 569363416 /nfs/dbraw/zinc/36/34/16/569363416.db2.gz AUTUOPPZPMRZSQ-UHFFFAOYSA-N 0 0 430.829 4.378 50 0 IIAARN CC1=C(C(=O)N(CC(=O)NCCc2cccs2)c2ccc(Cl)cc2)SCCO1 ZINC000020413730 569364150 /nfs/dbraw/zinc/36/41/50/569364150.db2.gz SYPUWHRVBYFQSC-UHFFFAOYSA-N 0 0 436.986 4.088 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417275 569364958 /nfs/dbraw/zinc/36/49/58/569364958.db2.gz LRFMMDJNZOICIR-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN Cn1ccc([C@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C(F)(F)F)c1 ZINC000095431801 569366274 /nfs/dbraw/zinc/36/62/74/569366274.db2.gz YSEOGUPZAXTPJV-NLPFYKDJSA-N 0 0 427.511 4.390 50 0 IIAARN O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000095432329 569366335 /nfs/dbraw/zinc/36/63/35/569366335.db2.gz KKBLUMDBXUMZNK-UHFFFAOYSA-N 0 0 445.972 4.043 50 0 IIAARN C[C@@H]1C[C@H](CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1 ZINC000095458063 569369082 /nfs/dbraw/zinc/36/90/82/569369082.db2.gz PMNKIGXCZSYXRW-QZTJIDSGSA-N 0 0 430.508 4.285 50 0 IIAARN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000095460916 569369714 /nfs/dbraw/zinc/36/97/14/569369714.db2.gz SIEABXWHJHIGLT-FQEVSTJZSA-N 0 0 439.560 4.420 50 0 IIAARN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000095460917 569369721 /nfs/dbraw/zinc/36/97/21/569369721.db2.gz SIEABXWHJHIGLT-HXUWFJFHSA-N 0 0 439.560 4.420 50 0 IIAARN COc1cccc(-n2cnc3c2[C@H](c2cc(OC)c(O)c(OC)c2)SCC(=O)N3)c1 ZINC000095477224 569373262 /nfs/dbraw/zinc/37/32/62/569373262.db2.gz OGIBONGQBAIVJE-FQEVSTJZSA-N 0 0 427.482 4.028 50 0 IIAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095478970 569373719 /nfs/dbraw/zinc/37/37/19/569373719.db2.gz GKCICBIRNOEENO-QFIPXVFZSA-N 0 0 435.597 4.424 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3C)c(Cl)c2)S1 ZINC000020895887 569375013 /nfs/dbraw/zinc/37/50/13/569375013.db2.gz JCGDTVCFIBYXCA-HXUWFJFHSA-N 0 0 447.944 4.107 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccc(C)cc2)S1 ZINC000020896041 569375097 /nfs/dbraw/zinc/37/50/97/569375097.db2.gz RLCRUNFILNMKNT-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc1 ZINC000095944139 569375682 /nfs/dbraw/zinc/37/56/82/569375682.db2.gz SEAXEFPKLIASHW-UHFFFAOYSA-N 0 0 437.489 4.226 50 0 IIAARN O=S(=O)(c1ccc(Nc2nc(C(F)(F)F)nc3cc(F)ccc32)cc1)N1CCCC1 ZINC000095948793 569376539 /nfs/dbraw/zinc/37/65/39/569376539.db2.gz NJWPYVMVPVORAI-UHFFFAOYSA-N 0 0 440.422 4.316 50 0 IIAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000095983578 569378106 /nfs/dbraw/zinc/37/81/06/569378106.db2.gz AAUCMJOLIFFUPD-UHFFFAOYSA-N 0 0 427.909 4.354 50 0 IIAARN CC(=O)NC1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1 ZINC000096011554 569379925 /nfs/dbraw/zinc/37/99/25/569379925.db2.gz DISKPVJBYPURDK-UHFFFAOYSA-N 0 0 434.231 4.260 50 0 IIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(CNC(=O)[C@H](C)Oc3ccc(C)cc3)ccn2)cc1 ZINC000096012008 569380005 /nfs/dbraw/zinc/38/00/05/569380005.db2.gz XVDZQMNVYZYXEK-VQTJNVASSA-N 0 0 447.535 4.188 50 0 IIAARN COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1 ZINC000096102985 569381961 /nfs/dbraw/zinc/38/19/61/569381961.db2.gz UGQYNVPGHVEVDR-UHFFFAOYSA-N 0 0 429.480 4.095 50 0 IIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)ccc1O ZINC000096116090 569383663 /nfs/dbraw/zinc/38/36/63/569383663.db2.gz CBXOMWIZTAESBB-REWPJTCUSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000096231042 569387489 /nfs/dbraw/zinc/38/74/89/569387489.db2.gz AOKOQBMNNAVQOO-LJQANCHMSA-N 0 0 446.507 4.391 50 0 IIAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1 ZINC000096232056 569387733 /nfs/dbraw/zinc/38/77/33/569387733.db2.gz NJKUNRYRAPUWCH-MRXNPFEDSA-N 0 0 436.386 4.005 50 0 IIAARN CCCn1c(C(=O)N2CCN(CC)CC2)cc2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000096278507 569389089 /nfs/dbraw/zinc/38/90/89/569389089.db2.gz HHAGDBYGFORSKN-UHFFFAOYSA-N 0 0 436.531 4.220 50 0 IIAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000096279388 569389306 /nfs/dbraw/zinc/38/93/06/569389306.db2.gz VGUTWBYTRPAVKR-SFHVURJKSA-N 0 0 427.476 4.058 50 0 IIAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000096280559 569389647 /nfs/dbraw/zinc/38/96/47/569389647.db2.gz BUIRUEYWYLQJAJ-UHFFFAOYSA-N 0 0 434.462 4.047 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccco4)nc4ccc(C)cc43)CC2)cc1 ZINC000096288711 569390420 /nfs/dbraw/zinc/39/04/20/569390420.db2.gz JCKMHKBUXUSJBB-UHFFFAOYSA-N 0 0 448.548 4.018 50 0 IIAARN CCCCN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1c1ccco1 ZINC000096289282 569390658 /nfs/dbraw/zinc/39/06/58/569390658.db2.gz SHPPBJVEWFTQOR-UHFFFAOYSA-N 0 0 429.523 4.349 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293142 569391423 /nfs/dbraw/zinc/39/14/23/569391423.db2.gz QMDBZSWFHLWVAP-KSFYIVLOSA-N 0 0 439.512 4.174 50 0 IIAARN O=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000096322879 569394856 /nfs/dbraw/zinc/39/48/56/569394856.db2.gz BILXKMVZJUTVJL-UHFFFAOYSA-N 0 0 432.333 4.046 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1OC ZINC000096323141 569395164 /nfs/dbraw/zinc/39/51/64/569395164.db2.gz MBTNPJRKEDWSJD-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000096324516 569396011 /nfs/dbraw/zinc/39/60/11/569396011.db2.gz ZFERSJGTNCXHPY-UHFFFAOYSA-N 0 0 444.507 4.411 50 0 IIAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000096335774 569396607 /nfs/dbraw/zinc/39/66/07/569396607.db2.gz OIMVMGRDEPWTSI-PZJWPPBQSA-N 0 0 426.852 4.247 50 0 IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)NCCc2cccs2)cc1 ZINC000096335994 569396733 /nfs/dbraw/zinc/39/67/33/569396733.db2.gz KIFBPSAMEVALGF-REWPJTCUSA-N 0 0 447.512 4.115 50 0 IIAARN COc1ccc(CC(=O)N(C)CCc2noc(-c3cc4cc(C)ccc4[nH]3)n2)c(Cl)c1 ZINC000096349604 569397337 /nfs/dbraw/zinc/39/73/37/569397337.db2.gz JZEVMUUGQZQCGB-UHFFFAOYSA-N 0 0 438.915 4.432 50 0 IIAARN COc1ccc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1F ZINC000096349890 569397352 /nfs/dbraw/zinc/39/73/52/569397352.db2.gz KBUMCFCEECTYBD-UHFFFAOYSA-N 0 0 428.851 4.334 50 0 IIAARN O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000096372465 569397807 /nfs/dbraw/zinc/39/78/07/569397807.db2.gz BXVSFRCPWDJYST-UHFFFAOYSA-N 0 0 438.478 4.033 50 0 IIAARN O=C(NCc1csc(C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)n1)C1CCC1 ZINC000096372642 569397978 /nfs/dbraw/zinc/39/79/78/569397978.db2.gz CXEBIKVLZZZERF-UHFFFAOYSA-N 0 0 435.952 4.372 50 0 IIAARN COc1cccc(CNC(=O)c2csc(N3CCN(c4ccc(Cl)cc4)CC3)n2)c1 ZINC000096386334 569398550 /nfs/dbraw/zinc/39/85/50/569398550.db2.gz JBLACEXBAJGOQW-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)NCc1cc(F)ccc1F ZINC000096387102 569398833 /nfs/dbraw/zinc/39/88/33/569398833.db2.gz GZJJRAZMKUHCCA-IBGZPJMESA-N 0 0 427.838 4.421 50 0 IIAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000096399046 569399813 /nfs/dbraw/zinc/39/98/13/569399813.db2.gz WPUAVMFOGYNBPQ-QGZVFWFLSA-N 0 0 427.570 4.244 50 0 IIAARN CCOc1cc(/C=C2\SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OC(C)C ZINC000096472232 569400893 /nfs/dbraw/zinc/40/08/93/569400893.db2.gz PKLTYMMTYGEKMK-PDICVPPASA-N 0 0 427.906 4.124 50 0 IIAARN CC(C)CCn1ccc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000334162704 569402253 /nfs/dbraw/zinc/40/22/53/569402253.db2.gz YEGRMFAOVUVLQN-OAQYLSRUSA-N 0 0 432.524 4.157 50 0 IIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000096931183 569402639 /nfs/dbraw/zinc/40/26/39/569402639.db2.gz DTDQIQPZNWKHLI-INIZCTEOSA-N 0 0 448.272 4.444 50 0 IIAARN CC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000097165215 569403385 /nfs/dbraw/zinc/40/33/85/569403385.db2.gz KWWBDFRYELXANJ-HSZRJFAPSA-N 0 0 437.496 4.324 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccccc1 ZINC000002459538 569403513 /nfs/dbraw/zinc/40/35/13/569403513.db2.gz CFJBGMUWEMUCEL-UHFFFAOYSA-N 0 0 429.954 4.265 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468429 569403925 /nfs/dbraw/zinc/40/39/25/569403925.db2.gz CCSOWFIYJHHUPB-JWQCQUIFSA-N 0 0 448.563 4.380 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N(C)C3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468379 569403983 /nfs/dbraw/zinc/40/39/83/569403983.db2.gz BWYBCSFHWCQTHK-LOSJGSFVSA-N 0 0 448.563 4.332 50 0 IIAARN Cc1nc2c(c(N3CCC(NC(=O)c4csc(-c5ccccc5)n4)CC3)n1)CCCC2 ZINC000225738434 569407835 /nfs/dbraw/zinc/40/78/35/569407835.db2.gz YAMCOXQRSWHEJI-UHFFFAOYSA-N 0 0 433.581 4.186 50 0 IIAARN 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569474227 /nfs/dbraw/zinc/47/42/27/569474227.db2.gz SJIJHOMLJSIWIC-YVLHZVERSA-N 0 0 446.912 4.007 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000008765174 569474744 /nfs/dbraw/zinc/47/47/44/569474744.db2.gz QDNHCZWKKOXVHF-OFNKIYASSA-N 0 0 431.580 4.477 50 0 biogenic IIAARN O=C(COc1cccc2ccc(N3CCOCC3)nc21)Nc1ccc(C(F)(F)F)cc1 ZINC000008769685 569475076 /nfs/dbraw/zinc/47/50/76/569475076.db2.gz XLOVRESPZABFBO-UHFFFAOYSA-N 0 0 431.414 4.108 50 0 IIAARN CCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000008791111 569476169 /nfs/dbraw/zinc/47/61/69/569476169.db2.gz GFTFTGYDHODKAX-VFNWGFHPSA-N 0 0 430.508 4.152 50 0 biogenic IIAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000008825246 569477346 /nfs/dbraw/zinc/47/73/46/569477346.db2.gz GHQLBAQRGDSZOE-UHFFFAOYSA-N 0 0 436.693 4.380 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827482 569477638 /nfs/dbraw/zinc/47/76/38/569477638.db2.gz 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CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000008851716 569479415 /nfs/dbraw/zinc/47/94/15/569479415.db2.gz BGAYHIXCWOMLRP-HXUWFJFHSA-N 0 0 448.997 4.013 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 ZINC000008855995 569479752 /nfs/dbraw/zinc/47/97/52/569479752.db2.gz WDWYTYXZXDPRSN-UHFFFAOYSA-N 0 0 449.601 4.266 50 0 IIAARN COCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000008860959 569479950 /nfs/dbraw/zinc/47/99/50/569479950.db2.gz TXIBSACOVKYANS-HNNXBMFYSA-N 0 0 442.972 4.315 50 0 IIAARN CCc1ccc2oc(C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000008867469 569480263 /nfs/dbraw/zinc/48/02/63/569480263.db2.gz WYZFKRZOWKMNDR-GOSISDBHSA-N 0 0 429.513 4.272 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)OCC(F)(F)F)cc1OCC ZINC000008869895 569480492 /nfs/dbraw/zinc/48/04/92/569480492.db2.gz QYPIXDGORVAEGK-DLBZAZTESA-N 0 0 445.478 4.055 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1OCC ZINC000008869889 569480495 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O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC(OCc2ccccc2)CC1 ZINC000040017382 569482608 /nfs/dbraw/zinc/48/26/08/569482608.db2.gz GRPKWLMNURYCFK-UHFFFAOYSA-N 0 0 439.533 4.075 50 0 IIAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000040025787 569482845 /nfs/dbraw/zinc/48/28/45/569482845.db2.gz ULXQIHZLVUTNKL-OAQYLSRUSA-N 0 0 434.569 4.366 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000040040158 569483397 /nfs/dbraw/zinc/48/33/97/569483397.db2.gz LWRXWLSEHXCWTF-OAQYLSRUSA-N 0 0 440.297 4.380 50 0 IIAARN O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)N1CCc2ccccc2C1 ZINC000008892938 569483568 /nfs/dbraw/zinc/48/35/68/569483568.db2.gz ZQLCCJQIUVLXNE-UHFFFAOYSA-N 0 0 437.499 4.067 50 0 IIAARN Cc1cc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000008895705 569483816 /nfs/dbraw/zinc/48/38/16/569483816.db2.gz GJJGQRTVDOLZAX-LJQANCHMSA-N 0 0 447.564 4.388 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(OC(F)(F)F)c1 ZINC000040051109 569484450 /nfs/dbraw/zinc/48/44/50/569484450.db2.gz BYTQAMWBRVDVKJ-UHFFFAOYSA-N 0 0 448.488 4.003 50 0 IIAARN COc1cc(OC)cc([C@@H](NC(=O)COc2cccc(C(C)(C)C)c2)c2nccn2C)c1 ZINC000040058983 569484713 /nfs/dbraw/zinc/48/47/13/569484713.db2.gz QMXCOCMNHSHNEF-HSZRJFAPSA-N 0 0 437.540 4.019 50 0 IIAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059859 569484803 /nfs/dbraw/zinc/48/48/03/569484803.db2.gz XVPLUHXRINBNDT-HNNXBMFYSA-N 0 0 438.484 4.286 50 0 IIAARN Cc1cc(NC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)ccc1Br ZINC000008912615 569485041 /nfs/dbraw/zinc/48/50/41/569485041.db2.gz YMMCLJDROYVIJU-UHFFFAOYSA-N 0 0 446.374 4.255 50 0 IIAARN CN(CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040071049 569485705 /nfs/dbraw/zinc/48/57/05/569485705.db2.gz SPUDCQLANOVAKM-NRFANRHFSA-N 0 0 432.973 4.029 50 0 IIAARN CCc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 ZINC000008917613 569486059 /nfs/dbraw/zinc/48/60/59/569486059.db2.gz ORYVEYZUTTUSNG-UHFFFAOYSA-N 0 0 429.929 4.227 50 0 IIAARN Cc1c(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cnn1-c1cccc(Cl)c1 ZINC000040087213 569486764 /nfs/dbraw/zinc/48/67/64/569486764.db2.gz LKTJJKCNDQRCSB-UHFFFAOYSA-N 0 0 445.910 4.411 50 0 IIAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000008921291 569486800 /nfs/dbraw/zinc/48/68/00/569486800.db2.gz LRDIOGTWOMPPTA-UHFFFAOYSA-N 0 0 431.521 4.173 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccccn1 ZINC000008923632 569487082 /nfs/dbraw/zinc/48/70/82/569487082.db2.gz ZWPHESIQCFXTKH-QFIPXVFZSA-N 0 0 427.287 4.396 50 0 IIAARN COc1ccc(CCNC(=O)CCCNc2ccnc3cc(Cl)ccc32)cc1OC ZINC000040090020 569487355 /nfs/dbraw/zinc/48/73/55/569487355.db2.gz RPCAHEMOFLMYMI-UHFFFAOYSA-N 0 0 427.932 4.456 50 0 IIAARN CCCCc1nc(C)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)s1 ZINC000040093876 569487500 /nfs/dbraw/zinc/48/75/00/569487500.db2.gz LVAFFOSEBYFDHB-UHFFFAOYSA-N 0 0 428.554 4.300 50 0 IIAARN Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC4CCCC4)c(=O)c32)c1 ZINC000008933175 569487767 /nfs/dbraw/zinc/48/77/67/569487767.db2.gz OSHIGCUVQMDJBL-UHFFFAOYSA-N 0 0 428.536 4.075 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933485 569487813 /nfs/dbraw/zinc/48/78/13/569487813.db2.gz JATFMSFSBHAELU-VGSWGCGISA-N 0 0 446.526 4.234 50 0 IIAARN CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000008941060 569488651 /nfs/dbraw/zinc/48/86/51/569488651.db2.gz PPSILNKKSKIKLL-UHFFFAOYSA-N 0 0 440.956 4.360 50 0 IIAARN CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@@H](C)c1cccc(OC)c1 ZINC000040122949 569489700 /nfs/dbraw/zinc/48/97/00/569489700.db2.gz CEIGBZMMHFDYRU-HNNXBMFYSA-N 0 0 428.533 4.199 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000008959121 569490317 /nfs/dbraw/zinc/49/03/17/569490317.db2.gz QXZNQHPEUKCZGL-UHFFFAOYSA-N 0 0 426.513 4.120 50 0 IIAARN CCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc(OCC)c1OCC ZINC000008959893 569490367 /nfs/dbraw/zinc/49/03/67/569490367.db2.gz QYRUCPBBIJETQK-UHFFFAOYSA-N 0 0 442.512 4.492 50 0 IIAARN Cc1cc(-c2cc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000040135693 569490798 /nfs/dbraw/zinc/49/07/98/569490798.db2.gz NREGNDDKEJYUGX-BBRMVZONSA-N 0 0 439.585 4.084 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)nc3)sc2c1 ZINC000040140112 569491480 /nfs/dbraw/zinc/49/14/80/569491480.db2.gz CVPURKVSQGRCOD-UHFFFAOYSA-N 0 0 425.491 4.139 50 0 IIAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008966336 569491774 /nfs/dbraw/zinc/49/17/74/569491774.db2.gz FUDGBKZXEHOXPL-CQSZACIVSA-N 0 0 438.944 4.009 50 0 IIAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008966335 569491797 /nfs/dbraw/zinc/49/17/97/569491797.db2.gz FUDGBKZXEHOXPL-AWEZNQCLSA-N 0 0 438.944 4.009 50 0 IIAARN C[C@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccncc1 ZINC000040143177 569491865 /nfs/dbraw/zinc/49/18/65/569491865.db2.gz PGPYNXRNNJTEAE-AWEZNQCLSA-N 0 0 425.330 4.400 50 0 IIAARN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000040142791 569491866 /nfs/dbraw/zinc/49/18/66/569491866.db2.gz VCLSQKBOHPLNIZ-UHFFFAOYSA-N 0 0 428.286 4.275 50 0 IIAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000040145793 569492168 /nfs/dbraw/zinc/49/21/68/569492168.db2.gz NWHQFXYKMIFBBQ-UHFFFAOYSA-N 0 0 438.524 4.218 50 0 IIAARN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cc(Br)ccc1F ZINC000040146466 569492299 /nfs/dbraw/zinc/49/22/99/569492299.db2.gz NJRYILSTGPCEIF-UHFFFAOYSA-N 0 0 445.288 4.371 50 0 IIAARN COC(=O)C[C@H](NC(=O)CCSc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000040149058 569492392 /nfs/dbraw/zinc/49/23/92/569492392.db2.gz WWNBWHBCCKXLCM-INIZCTEOSA-N 0 0 429.567 4.211 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008979371 569493020 /nfs/dbraw/zinc/49/30/20/569493020.db2.gz BXNGMYZAOOVBJH-HXUWFJFHSA-N 0 0 446.576 4.164 50 0 IIAARN COc1ccc(S[C@H](C)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000040154594 569493744 /nfs/dbraw/zinc/49/37/44/569493744.db2.gz XIFJGLYEXOFFMJ-OAHLLOKOSA-N 0 0 431.533 4.128 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000040157294 569494272 /nfs/dbraw/zinc/49/42/72/569494272.db2.gz ISWBJQDBVNPZBO-XMMPIXPASA-N 0 0 436.552 4.143 50 0 IIAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OC ZINC000040157538 569494330 /nfs/dbraw/zinc/49/43/30/569494330.db2.gz OEHAGFUSCVSZHO-UHFFFAOYSA-N 0 0 449.529 4.280 50 0 IIAARN COCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1Cl ZINC000008989496 569494922 /nfs/dbraw/zinc/49/49/22/569494922.db2.gz ZLDNNUFJAOHNRT-UHFFFAOYSA-N 0 0 437.978 4.131 50 0 IIAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12 ZINC000008990213 569495029 /nfs/dbraw/zinc/49/50/29/569495029.db2.gz YXMQRXNVYZWNPC-UHFFFAOYSA-N 0 0 438.487 4.065 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1F ZINC000040159963 569495076 /nfs/dbraw/zinc/49/50/76/569495076.db2.gz FNIFVYLALCRXBR-UHFFFAOYSA-N 0 0 440.924 4.305 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)cc1 ZINC000008991262 569495263 /nfs/dbraw/zinc/49/52/63/569495263.db2.gz XEYJIVHHPBPNFS-UHFFFAOYSA-N 0 0 433.537 4.290 50 0 IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000009034084 569497217 /nfs/dbraw/zinc/49/72/17/569497217.db2.gz QINPNZMGLXVXFW-YJBOKZPZSA-N 0 0 438.789 4.158 50 0 biogenic IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)c(OC)c1OC ZINC000009038495 569497367 /nfs/dbraw/zinc/49/73/67/569497367.db2.gz BEJQIAIWDUZFKU-UHFFFAOYSA-N 0 0 446.503 4.163 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000040267675 569497461 /nfs/dbraw/zinc/49/74/61/569497461.db2.gz DYWHCJPVCPFURQ-FQEVSTJZSA-N 0 0 442.878 4.477 50 0 IIAARN COc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1 ZINC000009049296 569498524 /nfs/dbraw/zinc/49/85/24/569498524.db2.gz DVQCLCMIPBLEDM-IBGZPJMESA-N 0 0 426.944 4.392 50 0 IIAARN COCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009049612 569498537 /nfs/dbraw/zinc/49/85/37/569498537.db2.gz UVZZIEINVMIZAD-QGZVFWFLSA-N 0 0 440.569 4.026 50 0 IIAARN CCCCN(C)C(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000009051787 569498764 /nfs/dbraw/zinc/49/87/64/569498764.db2.gz MAXZNSVHIJVEIQ-UHFFFAOYSA-N 0 0 439.508 4.423 50 0 biogenic IIAARN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2c1C ZINC000009052918 569498824 /nfs/dbraw/zinc/49/88/24/569498824.db2.gz DWGLEOSWMWNGMB-LBPRGKRZSA-N 0 0 429.567 4.357 50 0 IIAARN COc1cccc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009059023 569499266 /nfs/dbraw/zinc/49/92/66/569499266.db2.gz OPDDNPULPUFQMH-HYBUGGRVSA-N 0 0 432.863 4.430 50 0 IIAARN CC(C)Cn1c(Cn2ccnc2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000009059521 569499345 /nfs/dbraw/zinc/49/93/45/569499345.db2.gz XUUGXWWCLKKAHM-UHFFFAOYSA-N 0 0 443.960 4.391 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355735 569499805 /nfs/dbraw/zinc/49/98/05/569499805.db2.gz SLIMXABEATTXSV-UHFFFAOYSA-N 0 0 449.410 4.073 50 0 IIAARN COc1ccccc1CCNC(=O)[C@H]1CCCc2sc(NC(=O)c3ccccc3)nc21 ZINC000009071781 569500181 /nfs/dbraw/zinc/50/01/81/569500181.db2.gz QVNXTCRVGTZQOE-SFHVURJKSA-N 0 0 435.549 4.183 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009072859 569500200 /nfs/dbraw/zinc/50/02/00/569500200.db2.gz SIMVVSNOFFPFLK-UHFFFAOYSA-N 0 0 426.441 4.030 50 0 IIAARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000009086464 569500660 /nfs/dbraw/zinc/50/06/60/569500660.db2.gz FADKNQSQWKOEIF-YCAMKHIRSA-N 0 0 438.458 4.098 50 0 IIAARN Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)C4CCCC4)[C@H](C)C3)cc3ccoc32)c1 ZINC000040382744 569500859 /nfs/dbraw/zinc/50/08/59/569500859.db2.gz RBVVURTXDFMPJI-LJQANCHMSA-N 0 0 433.552 4.454 50 0 IIAARN CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009097304 569501543 /nfs/dbraw/zinc/50/15/43/569501543.db2.gz IYJLAZJQHAAILF-UHFFFAOYSA-N 0 0 431.345 4.497 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCc3ccccc32)cc1 ZINC000009101012 569501708 /nfs/dbraw/zinc/50/17/08/569501708.db2.gz XCZUXZBYNSTPPN-SFHVURJKSA-N 0 0 433.533 4.413 50 0 IIAARN C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)C[C@@H](C)O1 ZINC000009101502 569501766 /nfs/dbraw/zinc/50/17/66/569501766.db2.gz CMMUTKFMQBDTSY-IAGOWNOFSA-N 0 0 441.478 4.038 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000009116876 569502997 /nfs/dbraw/zinc/50/29/97/569502997.db2.gz COMQXOXRAVPQMY-UHFFFAOYSA-N 0 0 448.566 4.205 50 0 IIAARN CCOc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000009118286 569503258 /nfs/dbraw/zinc/50/32/58/569503258.db2.gz VBEWCDSYWSIDOO-UHFFFAOYSA-N 0 0 437.565 4.393 50 0 IIAARN COc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000009118327 569503297 /nfs/dbraw/zinc/50/32/97/569503297.db2.gz GLIDJVIGYVUCQX-UHFFFAOYSA-N 0 0 437.565 4.393 50 0 IIAARN CCc1ccc(S(=O)(=O)c2cn(CC)c3cc(N(CC)CC)c(F)cc3c2=O)cc1 ZINC000009119218 569503421 /nfs/dbraw/zinc/50/34/21/569503421.db2.gz YYIIEBDHBIDRAQ-UHFFFAOYSA-N 0 0 430.545 4.402 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521926648 /nfs/dbraw/zinc/92/66/48/521926648.db2.gz ZZULAFRWCAKGHE-UHFFFAOYSA-N 0 0 437.565 4.154 50 0 biogenic IIAARN COc1cc(Br)c(CN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC000023200168 522020840 /nfs/dbraw/zinc/02/08/40/522020840.db2.gz DJTAYQXZTUUZPC-UHFFFAOYSA-N 0 0 434.311 4.328 50 0 IIAARN COc1cc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc(OC)c1Br ZINC000012915816 522055259 /nfs/dbraw/zinc/05/52/59/522055259.db2.gz VSKYCSPIGLVRDS-UHFFFAOYSA-N 0 0 428.710 4.271 50 0 IIAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2nc1SCc1ccccc1 ZINC000012415126 522057493 /nfs/dbraw/zinc/05/74/93/522057493.db2.gz MFQQGZCFDCPLOY-UHFFFAOYSA-N 0 0 437.565 4.008 50 0 IIAARN COCCn1c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605642 522077484 /nfs/dbraw/zinc/07/74/84/522077484.db2.gz VXZYQJSPEFYZAQ-UHFFFAOYSA-N 0 0 447.385 4.388 50 0 IIAARN COc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000012594698 522077793 /nfs/dbraw/zinc/07/77/93/522077793.db2.gz BGMKAMFJXWGUFN-OAQYLSRUSA-N 0 0 449.482 4.224 50 0 IIAARN CC[C@@H](C)N(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)C(=O)C1CCCC1 ZINC000035225787 522085837 /nfs/dbraw/zinc/08/58/37/522085837.db2.gz NTEWQXAJDHYSKU-OAHLLOKOSA-N 0 0 430.574 4.360 50 0 IIAARN COc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1OCc1ccccc1 ZINC000012634308 522095500 /nfs/dbraw/zinc/09/55/00/522095500.db2.gz BMGSFHFHCLFPGA-GASCZTMLSA-N 0 0 434.330 4.286 50 0 IIAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc(OC)c1OC ZINC000022460183 522161840 /nfs/dbraw/zinc/16/18/40/522161840.db2.gz QFELNHOZNUQWNA-UHFFFAOYSA-N 0 0 432.436 4.077 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101378 522226569 /nfs/dbraw/zinc/22/65/69/522226569.db2.gz QSFKNBCOLHOIHD-UHFFFAOYSA-N 0 0 434.471 4.352 50 0 biogenic IIAARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000042380239 522255071 /nfs/dbraw/zinc/25/50/71/522255071.db2.gz DFLAFRITQOBEFB-CQSZACIVSA-N 0 0 425.485 4.151 50 0 IIAARN CC[C@@H](C)Oc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020233565 522273630 /nfs/dbraw/zinc/27/36/30/522273630.db2.gz RZTGKFNIZAGTJJ-CYBMUJFWSA-N 0 0 428.558 4.105 50 0 IIAARN CC[C@@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000021534797 522434063 /nfs/dbraw/zinc/43/40/63/522434063.db2.gz ZZLAMEMSTHIJEF-OAHLLOKOSA-N 0 0 434.521 4.296 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035961519 522452149 /nfs/dbraw/zinc/45/21/49/522452149.db2.gz VMLLOBJOVRZDIX-JOCHJYFZSA-N 0 0 425.479 4.291 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)CC(C)(C)C ZINC000035948710 522452537 /nfs/dbraw/zinc/45/25/37/522452537.db2.gz AGCBFNRXADGKGP-KRWDZBQOSA-N 0 0 441.553 4.049 50 0 IIAARN CC[C@@H](C)n1cc(C(=O)NCc2cc(F)ccc2C)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000015000002 522452931 /nfs/dbraw/zinc/45/29/31/522452931.db2.gz NLMADGDKLUPYOF-GOSISDBHSA-N 0 0 441.547 4.213 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2ccccc2oc1=O ZINC000015474276 522502520 /nfs/dbraw/zinc/50/25/20/522502520.db2.gz VPZKVGIHQAQWOE-UHFFFAOYSA-N 0 0 438.789 4.176 50 0 IIAARN CN(CC(=O)Nc1cccc(F)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000012902895 522512028 /nfs/dbraw/zinc/51/20/28/522512028.db2.gz MCCNTZWNLVZIIY-UHFFFAOYSA-N 0 0 440.475 4.000 50 0 IIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000017793627 522512353 /nfs/dbraw/zinc/51/23/53/522512353.db2.gz GKGIQIMNLXYUSE-UHFFFAOYSA-N 0 0 434.496 4.451 50 0 IIAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)COC ZINC000035975731 522642873 /nfs/dbraw/zinc/64/28/73/522642873.db2.gz OBRQGVXUASZGNP-QFIPXVFZSA-N 0 0 449.551 4.381 50 0 IIAARN CC[C@@H](NC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1)c1ccc(F)cc1 ZINC000012576725 522680211 /nfs/dbraw/zinc/68/02/11/522680211.db2.gz FGHBZUJNMIWNHD-LJQANCHMSA-N 0 0 427.476 4.017 50 0 IIAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)c3c2)o1 ZINC000035462210 522718131 /nfs/dbraw/zinc/71/81/31/522718131.db2.gz DAIXRFHAJMNALN-UHFFFAOYSA-N 0 0 449.942 4.256 50 0 IIAARN CN(CCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1)c1ccccc1 ZINC000035514210 522769014 /nfs/dbraw/zinc/76/90/14/522769014.db2.gz DQAXNNQGTFLLTA-UHFFFAOYSA-N 0 0 429.568 4.390 50 0 IIAARN COc1cc(OC)c(NC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc1Cl ZINC000021882787 522809343 /nfs/dbraw/zinc/80/93/43/522809343.db2.gz LBRKNQQEQCWVBO-UHFFFAOYSA-N 0 0 428.876 4.047 50 0 IIAARN COc1cc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000020892695 522836516 /nfs/dbraw/zinc/83/65/16/522836516.db2.gz HTNAKGOTSVBFEF-OAQYLSRUSA-N 0 0 443.500 4.120 50 0 IIAARN COC(=O)C1(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCCCC1 ZINC000022503906 522843500 /nfs/dbraw/zinc/84/35/00/522843500.db2.gz YGBMVGKTGJUTPN-UHFFFAOYSA-N 0 0 426.460 4.364 50 0 IIAARN COc1cc(OC)cc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)c1 ZINC000009663699 522860707 /nfs/dbraw/zinc/86/07/07/522860707.db2.gz NVFSZPJPKQQYGD-UHFFFAOYSA-N 0 0 438.505 4.348 50 0 IIAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)NCCc1ccccc1 ZINC000021644168 522914988 /nfs/dbraw/zinc/91/49/88/522914988.db2.gz NVQCAEZNIJZYME-LEWJYISDSA-N 0 0 448.592 4.172 50 0 IIAARN COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012228143 522948151 /nfs/dbraw/zinc/94/81/51/522948151.db2.gz GELMQHGBWSCEPX-HNNXBMFYSA-N 0 0 436.524 4.122 50 0 IIAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)ccc1O ZINC000008917085 522969881 /nfs/dbraw/zinc/96/98/81/522969881.db2.gz URNXRMZFGVKKDP-QFIPXVFZSA-N 0 0 437.492 4.176 50 0 IIAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(F)c1)CC2 ZINC000036043184 523049444 /nfs/dbraw/zinc/04/94/44/523049444.db2.gz IJNZBJPTNIIBOY-MWTRTKDXSA-N 0 0 443.563 4.429 50 0 IIAARN COc1cc2cc(CNCc3cnn(C)c3C)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000012152742 523059417 /nfs/dbraw/zinc/05/94/17/523059417.db2.gz ANUCUZASDSALDQ-UHFFFAOYSA-N 0 0 446.551 4.471 50 0 IIAARN CCn1c(=O)c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(-c2cccc(Cl)c2)c1=O ZINC000034693986 523102931 /nfs/dbraw/zinc/10/29/31/523102931.db2.gz RLSOVKGRKNZMCY-UHFFFAOYSA-N 0 0 448.832 4.089 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4)nc3n2)cc1 ZINC000021727675 523105614 /nfs/dbraw/zinc/10/56/14/523105614.db2.gz NRCAZIXJRFEOGH-UHFFFAOYSA-N 0 0 427.386 4.379 50 0 IIAARN CCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2cccc(Cl)c2)no1)OCO3 ZINC000021708769 523107302 /nfs/dbraw/zinc/10/73/02/523107302.db2.gz ZHEMGJSQEVZKNT-UHFFFAOYSA-N 0 0 442.884 4.141 50 0 IIAARN CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)N2CCN(c3ccccc3F)CC2)c1=O ZINC000022697227 523140413 /nfs/dbraw/zinc/14/04/13/523140413.db2.gz YLPQWOZRHJKRPC-VWLOTQADSA-N 0 0 435.543 4.241 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000035685311 523154046 /nfs/dbraw/zinc/15/40/46/523154046.db2.gz PXLWSCWGHHIICS-INIZCTEOSA-N 0 0 428.395 4.017 50 0 IIAARN COc1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1OC ZINC000021588495 523171181 /nfs/dbraw/zinc/17/11/81/523171181.db2.gz FDFVFDOAMAFTPC-UHFFFAOYSA-N 0 0 437.521 4.202 50 0 IIAARN CN(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000021611601 523196204 /nfs/dbraw/zinc/19/62/04/523196204.db2.gz CVJUQKVPWTXLSC-UHFFFAOYSA-N 0 0 429.851 4.365 50 0 IIAARN CCn1c(SCC(=O)N(C)Cc2ccccc2N2CCCCC2)nnc1-c1ccco1 ZINC000012565328 523219877 /nfs/dbraw/zinc/21/98/77/523219877.db2.gz YQMCZRUVYYJEFU-UHFFFAOYSA-N 0 0 439.585 4.299 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2C)cc1 ZINC000012776783 523221781 /nfs/dbraw/zinc/22/17/81/523221781.db2.gz RYSHQCLDJLQIRN-UHFFFAOYSA-N 0 0 434.514 4.069 50 0 IIAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3cccnc3)o2)cc1 ZINC000012419775 523224342 /nfs/dbraw/zinc/22/43/42/523224342.db2.gz AJTLSHCFJDGHOY-UHFFFAOYSA-N 0 0 439.468 4.329 50 0 IIAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000012905946 523234080 /nfs/dbraw/zinc/23/40/80/523234080.db2.gz OVMVYWXHGCSHKT-AWEZNQCLSA-N 0 0 437.930 4.048 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2csc(C)n2)cc1OC ZINC000012761001 523242166 /nfs/dbraw/zinc/24/21/66/523242166.db2.gz PKZQSAHACQWUMT-UHFFFAOYSA-N 0 0 448.548 4.294 50 0 IIAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1I ZINC000012180896 523267362 /nfs/dbraw/zinc/26/73/62/523267362.db2.gz YIDOXLBSEAFJME-KNTRCKAVSA-N 0 0 426.254 4.208 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1cccc(C)c1 ZINC000012558662 523270778 /nfs/dbraw/zinc/27/07/78/523270778.db2.gz NNTSZURGAHYXSW-RGEXLXHISA-N 0 0 445.972 4.122 50 0 IIAARN COCCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159735 523314071 /nfs/dbraw/zinc/31/40/71/523314071.db2.gz VXHABOVVPKNYSK-UHFFFAOYSA-N 0 0 434.584 4.071 50 0 IIAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000014977945 523549137 /nfs/dbraw/zinc/54/91/37/523549137.db2.gz ZUZATZRWBUPERQ-UHFFFAOYSA-N 0 0 443.438 4.275 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1Cl)C(C)=O ZINC000035949322 523650546 /nfs/dbraw/zinc/65/05/46/523650546.db2.gz HFUQKEMZQCZYME-QHCPKHFHSA-N 0 0 441.959 4.129 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035949277 523651232 /nfs/dbraw/zinc/65/12/32/523651232.db2.gz DBBDIZTXHSXNET-RUZDIDTESA-N 0 0 449.595 4.421 50 0 IIAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)C1CCCC1 ZINC000036046004 523657247 /nfs/dbraw/zinc/65/72/47/523657247.db2.gz QPJYVRIPCAJWCB-UHFFFAOYSA-N 0 0 446.551 4.143 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000036041249 523671601 /nfs/dbraw/zinc/67/16/01/523671601.db2.gz UNTJLRXCGAJFMS-ZEQRLZLVSA-N 0 0 432.495 4.007 50 0 IIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCC(=O)c1ccc(OC)c(F)c1 ZINC000021633306 523697646 /nfs/dbraw/zinc/69/76/46/523697646.db2.gz AVYABCVYNYZLIB-UHFFFAOYSA-N 0 0 433.439 4.306 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Cc1ccc(OC)cc1 ZINC000032995755 523714835 /nfs/dbraw/zinc/71/48/35/523714835.db2.gz NNNVUVSPLTXHGK-UHFFFAOYSA-N 0 0 433.537 4.336 50 0 IIAARN CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc21 ZINC000021938559 523723863 /nfs/dbraw/zinc/72/38/63/523723863.db2.gz YMNGTCNVYPZBAW-NRFANRHFSA-N 0 0 436.943 4.129 50 0 IIAARN CCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1 ZINC000012464275 523740637 /nfs/dbraw/zinc/74/06/37/523740637.db2.gz RHZFUUCQCJDIBE-QGZVFWFLSA-N 0 0 442.541 4.003 50 0 IIAARN COCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1 ZINC000035981298 523778621 /nfs/dbraw/zinc/77/86/21/523778621.db2.gz XRUKCYAIFRTHAO-UHFFFAOYSA-N 0 0 435.421 4.378 50 0 IIAARN CC[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563390 523784498 /nfs/dbraw/zinc/78/44/98/523784498.db2.gz SQIIJCXPMRMRTG-HXUWFJFHSA-N 0 0 449.942 4.120 50 0 IIAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NCCOC)cc2)n1 ZINC000036028430 523788831 /nfs/dbraw/zinc/78/88/31/523788831.db2.gz SMHGBJUVLNASPW-UHFFFAOYSA-N 0 0 442.629 4.476 50 0 IIAARN CC[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000021783840 523796949 /nfs/dbraw/zinc/79/69/49/523796949.db2.gz UUUSXQMPTSHFRY-LJQANCHMSA-N 0 0 441.915 4.479 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 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CCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000020240127 523971422 /nfs/dbraw/zinc/97/14/22/523971422.db2.gz ZRASDKBYPQJYTJ-UHFFFAOYSA-N 0 0 441.553 4.305 50 0 IIAARN COc1ccc(CCNC(=O)c2sc(=S)n(-c3ccccc3C)c2N)cc1OC ZINC000012415611 523972727 /nfs/dbraw/zinc/97/27/27/523972727.db2.gz CJYVHJFWIPQHRB-UHFFFAOYSA-N 0 0 429.567 4.149 50 0 IIAARN CCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)cc1 ZINC000016650690 523977466 /nfs/dbraw/zinc/97/74/66/523977466.db2.gz QUZVSONCLMZWJG-UHFFFAOYSA-N 0 0 432.524 4.014 50 0 IIAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000035535276 523977502 /nfs/dbraw/zinc/97/75/02/523977502.db2.gz DBSVBFZCXPPMCR-UHFFFAOYSA-N 0 0 445.906 4.482 50 0 IIAARN COc1ccc(CCNc2ncnc3sc(C(=O)NC4CCCC4)c(C)c32)cc1OC ZINC000012131688 523979403 /nfs/dbraw/zinc/97/94/03/523979403.db2.gz NCEFBANWYFEKOZ-UHFFFAOYSA-N 0 0 440.569 4.344 50 0 IIAARN COc1ccc(CN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H](C)Cc2cccs2)cc1 ZINC000012598835 523990172 /nfs/dbraw/zinc/99/01/72/523990172.db2.gz JOYGTUYQCTYXHR-SFHVURJKSA-N 0 0 447.560 4.127 50 0 IIAARN COc1ccc(CN(C)C(=O)c2csc(-c3cccc(OC)c3OC)n2)c(OC)c1 ZINC000012904939 524000805 /nfs/dbraw/zinc/00/08/05/524000805.db2.gz JCAYIEKVXUHETC-UHFFFAOYSA-N 0 0 428.510 4.117 50 0 IIAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)cc1OCC1(C)COC1 ZINC000014881788 524013284 /nfs/dbraw/zinc/01/32/84/524013284.db2.gz LZJZLHZGRKQOTD-OAQYLSRUSA-N 0 0 443.515 4.071 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810748 524021365 /nfs/dbraw/zinc/02/13/65/524021365.db2.gz PXWPDWJLNVPIQS-AREMUKBSSA-N 0 0 449.551 4.415 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C3CC3)CC2)cc1 ZINC000022276825 524030752 /nfs/dbraw/zinc/03/07/52/524030752.db2.gz WPBKIRGNLRRXER-UHFFFAOYSA-N 0 0 443.547 4.155 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3csc(-c4ccc(C)cc4)n3)CC2)cc1F ZINC000012899481 524031348 /nfs/dbraw/zinc/03/13/48/524031348.db2.gz HYIRRIDQHMGAQS-UHFFFAOYSA-N 0 0 425.529 4.224 50 0 IIAARN COc1ccc(CN2CCN([C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)CC2)cc1 ZINC000022800295 524033046 /nfs/dbraw/zinc/03/30/46/524033046.db2.gz VKBSHQDGHLXQSG-SANMLTNESA-N 0 0 445.563 4.201 50 0 IIAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)cc3)C2=O)cc1F ZINC000021658286 524043550 /nfs/dbraw/zinc/04/35/50/524043550.db2.gz NIBWLIZXZROWCQ-UHFFFAOYSA-N 0 0 426.469 4.478 50 0 IIAARN CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000033312737 524044932 /nfs/dbraw/zinc/04/49/32/524044932.db2.gz XIIYGZGPRWFGSP-SFHVURJKSA-N 0 0 434.561 4.491 50 0 IIAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583450 524048090 /nfs/dbraw/zinc/04/80/90/524048090.db2.gz SGAFDFDDHBTXMP-QGZVFWFLSA-N 0 0 432.511 4.291 50 0 IIAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583441 524048235 /nfs/dbraw/zinc/04/82/35/524048235.db2.gz SGAFDFDDHBTXMP-KRWDZBQOSA-N 0 0 432.511 4.291 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168691 524064433 /nfs/dbraw/zinc/06/44/33/524064433.db2.gz LERYYEMCKIRGLV-FQEVSTJZSA-N 0 0 448.592 4.478 50 0 IIAARN COc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(F)cc3)n2)c(OC)c1 ZINC000035430197 524068231 /nfs/dbraw/zinc/06/82/31/524068231.db2.gz RTKUCJNNDNIWJZ-UHFFFAOYSA-N 0 0 432.455 4.460 50 0 IIAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[C@H](C)Oc2ccccc2)s1 ZINC000012442936 524075295 /nfs/dbraw/zinc/07/52/95/524075295.db2.gz ZGDFBPNSEXOIHK-AWEZNQCLSA-N 0 0 427.551 4.054 50 0 IIAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](c1cccc2ccccc21)n1cccc1 ZINC000263586817 524089992 /nfs/dbraw/zinc/08/99/92/524089992.db2.gz YHDPEDSRNQJLQE-FTJBHMTQSA-N 0 0 437.543 4.320 50 0 biogenic IIAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)NCc4ccccc4Cl)c3s2)C1 ZINC000035533635 524110368 /nfs/dbraw/zinc/11/03/68/524110368.db2.gz XDVXWCOITBJCNP-ZDUSSCGKSA-N 0 0 448.017 4.385 50 0 IIAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(F)cc4)n3)o2)c1 ZINC000021721655 524127448 /nfs/dbraw/zinc/12/74/48/524127448.db2.gz UIFNCOUFVRIIIX-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cscn2)c1OC ZINC000012442823 524136462 /nfs/dbraw/zinc/13/64/62/524136462.db2.gz KRMLMEMJEXZEQT-HSZRJFAPSA-N 0 0 433.533 4.358 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 ZINC000021861097 524169779 /nfs/dbraw/zinc/16/97/79/524169779.db2.gz WFMSRGCGUHRGLR-AGTLBBOYSA-N 0 0 448.542 4.285 50 0 IIAARN C[C@@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012155184 524195993 /nfs/dbraw/zinc/19/59/93/524195993.db2.gz UYMFSCBNFABKMI-WINIVTDRSA-N 0 0 430.548 4.161 50 0 IIAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c21 ZINC000020722697 524201720 /nfs/dbraw/zinc/20/17/20/524201720.db2.gz BUXMPRCRLAZBFR-FQEVSTJZSA-N 0 0 434.323 4.431 50 0 IIAARN Cc1cc(C)c(-c2csc(NC(=O)CN(C)S(=O)(=O)c3cccs3)n2)c(C)c1 ZINC000012760114 524210757 /nfs/dbraw/zinc/21/07/57/524210757.db2.gz XJNRFYLCXJKSIC-UHFFFAOYSA-N 0 0 435.596 4.056 50 0 IIAARN C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc2S1 ZINC000012732891 524233039 /nfs/dbraw/zinc/23/30/39/524233039.db2.gz HFRNGABMDDONAZ-INIZCTEOSA-N 0 0 448.585 4.144 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)[C@@H](c3ccco3)C2)cc1 ZINC000012532726 524233100 /nfs/dbraw/zinc/23/31/00/524233100.db2.gz OJZMXUFSQYIEOJ-OXQOHEQNSA-N 0 0 435.307 4.393 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399242 524247782 /nfs/dbraw/zinc/24/77/82/524247782.db2.gz ZZVZHWCIULHEKN-UHFFFAOYSA-N 0 0 443.956 4.245 50 0 biogenic IIAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1 ZINC000021282406 524281175 /nfs/dbraw/zinc/28/11/75/524281175.db2.gz WKFPHHNZLWZUTF-IBGZPJMESA-N 0 0 446.503 4.396 50 0 IIAARN COc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)c1C ZINC000020597774 524308342 /nfs/dbraw/zinc/30/83/42/524308342.db2.gz DKJOLAWGSKXEHJ-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)NCCc2ccc(Cl)cc2)c3C)n1 ZINC000020320757 524350834 /nfs/dbraw/zinc/35/08/34/524350834.db2.gz QUFLFVMEANVKQM-UHFFFAOYSA-N 0 0 435.959 4.456 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(Cc1ccc(F)cc1)C(=O)[C@H](C)O2 ZINC000035884123 524359069 /nfs/dbraw/zinc/35/90/69/524359069.db2.gz BEPOVYMDYQJDNK-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN Cc1ccc(CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)c(C)c1 ZINC000012597924 524383323 /nfs/dbraw/zinc/38/33/23/524383323.db2.gz SFPKZCDOSIUFPJ-UHFFFAOYSA-N 0 0 425.554 4.057 50 0 IIAARN Cc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021862919 524384988 /nfs/dbraw/zinc/38/49/88/524384988.db2.gz FXKAMQDMRLNWCQ-RUZDIDTESA-N 0 0 434.540 4.029 50 0 IIAARN Cc1cccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021663014 524386907 /nfs/dbraw/zinc/38/69/07/524386907.db2.gz UFBLXZNIGHVXFM-UHFFFAOYSA-N 0 0 440.952 4.386 50 0 IIAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000035910911 524390642 /nfs/dbraw/zinc/39/06/42/524390642.db2.gz ORJUBRYGCNDMPN-DEOSSOPVSA-N 0 0 434.517 4.491 50 0 IIAARN COc1ccc(N2C(=O)N(Cc3cccc(C)c3)c3ccccc3S2(=O)=O)cc1OC ZINC000015827127 524393154 /nfs/dbraw/zinc/39/31/54/524393154.db2.gz ATXWPHPKCKRYFQ-UHFFFAOYSA-N 0 0 438.505 4.348 50 0 IIAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000009892384 524394513 /nfs/dbraw/zinc/39/45/13/524394513.db2.gz OCRHPNICBFZMHV-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN COc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021863628 524399727 /nfs/dbraw/zinc/39/97/27/524399727.db2.gz JBKPCXFVSMTKHO-RUZDIDTESA-N 0 0 433.508 4.235 50 0 IIAARN C[C@H]1CCc2c(sc3ncn(CC(=O)N(C)Cc4c(F)cccc4Cl)c(=O)c32)C1 ZINC000012819359 524437167 /nfs/dbraw/zinc/43/71/67/524437167.db2.gz GHBCZQRQTLJUNC-LBPRGKRZSA-N 0 0 433.936 4.034 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021809491 524446060 /nfs/dbraw/zinc/44/60/60/524446060.db2.gz KVOMSEFSORSXKE-DEOSSOPVSA-N 0 0 437.565 4.185 50 0 IIAARN COc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC(F)F ZINC000012755805 524471061 /nfs/dbraw/zinc/47/10/61/524471061.db2.gz VAALLCYIBCKLDP-JXMROGBWSA-N 0 0 430.451 4.187 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469772 524483096 /nfs/dbraw/zinc/48/30/96/524483096.db2.gz SGNWCUTZCOMSND-HNNXBMFYSA-N 0 0 434.993 4.491 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 ZINC000024940318 524500728 /nfs/dbraw/zinc/50/07/28/524500728.db2.gz HUXSZRFNEJBSKC-UHFFFAOYSA-N 0 0 449.463 4.143 50 0 IIAARN Cc1cc(C)n(CC(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 ZINC000012126297 524507628 /nfs/dbraw/zinc/50/76/28/524507628.db2.gz JNOIGPXGZWDXGK-QGZVFWFLSA-N 0 0 429.442 4.306 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCCC4)sc32)cc1Cl ZINC000035533010 524513256 /nfs/dbraw/zinc/51/32/56/524513256.db2.gz OBZAUSFOAFCFGF-UHFFFAOYSA-N 0 0 435.962 4.079 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 ZINC000024752228 524526786 /nfs/dbraw/zinc/52/67/86/524526786.db2.gz BCGHLPHXAYQEEH-UHFFFAOYSA-N 0 0 445.928 4.129 50 0 IIAARN COc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033273082 524542152 /nfs/dbraw/zinc/54/21/52/524542152.db2.gz TWTLUGHNOQHGKC-UHFFFAOYSA-N 0 0 437.525 4.211 50 0 IIAARN COc1ccccc1N1CCN(C(=O)CCn2c(C)c(C(C)=O)cc2-c2ccccc2)CC1 ZINC000020760973 524544190 /nfs/dbraw/zinc/54/41/90/524544190.db2.gz MVZJXBWXKHDHHO-UHFFFAOYSA-N 0 0 445.563 4.414 50 0 IIAARN COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)cc1OC ZINC000033048058 524547805 /nfs/dbraw/zinc/54/78/05/524547805.db2.gz HBCNETVPRSLDMC-UHFFFAOYSA-N 0 0 436.512 4.017 50 0 IIAARN COc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c(OC)c1 ZINC000035376377 524565176 /nfs/dbraw/zinc/56/51/76/524565176.db2.gz NQQHROJZENXKDM-UHFFFAOYSA-N 0 0 435.459 4.076 50 0 IIAARN Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661634 524565602 /nfs/dbraw/zinc/56/56/02/524565602.db2.gz YMVQMMXVVYQTBQ-UHFFFAOYSA-N 0 0 448.526 4.426 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885206 524610170 /nfs/dbraw/zinc/61/01/70/524610170.db2.gz DRMLNSIFTQYROF-KRWDZBQOSA-N 0 0 432.480 4.004 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c1 ZINC000020936889 524610957 /nfs/dbraw/zinc/61/09/57/524610957.db2.gz VUHWXHCNBLIRBD-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1C ZINC000041086077 524642606 /nfs/dbraw/zinc/64/26/06/524642606.db2.gz SFNWMMUKTGXSKO-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000020377709 524648373 /nfs/dbraw/zinc/64/83/73/524648373.db2.gz HRZSXSUEACLSQD-JOCHJYFZSA-N 0 0 445.544 4.072 50 0 IIAARN COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000012442028 524663651 /nfs/dbraw/zinc/66/36/51/524663651.db2.gz SNHAPYHATBGVNH-UHFFFAOYSA-N 0 0 438.484 4.469 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4oc(C)nc4c3)c2)cc1 ZINC000012742190 524694152 /nfs/dbraw/zinc/69/41/52/524694152.db2.gz NSZRMRCCFOEAOI-UHFFFAOYSA-N 0 0 437.477 4.198 50 0 IIAARN Cc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1C ZINC000012905121 524719185 /nfs/dbraw/zinc/71/91/85/524719185.db2.gz MAZXYHYGKFQSPJ-UHFFFAOYSA-N 0 0 430.570 4.194 50 0 IIAARN COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2csc(C)n2)cc1)N(C)C ZINC000021557069 524733294 /nfs/dbraw/zinc/73/32/94/524733294.db2.gz UGLFZVNRKXNQHZ-OAQYLSRUSA-N 0 0 425.554 4.072 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051621 524758111 /nfs/dbraw/zinc/75/81/11/524758111.db2.gz JNYFELIATXWQEV-BJKOFHAPSA-N 0 0 428.532 4.176 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051633 524761922 /nfs/dbraw/zinc/76/19/22/524761922.db2.gz MZTPESDNYSVWQT-BJKOFHAPSA-N 0 0 428.532 4.176 50 0 IIAARN COc1ccc(OC)c(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)no2)c1 ZINC000036012551 524790938 /nfs/dbraw/zinc/79/09/38/524790938.db2.gz IQILGQLJFISIEW-HXUWFJFHSA-N 0 0 440.471 4.319 50 0 IIAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)no2)c1 ZINC000036012899 524792262 /nfs/dbraw/zinc/79/22/62/524792262.db2.gz RVNDHBODEIJCDG-UHFFFAOYSA-N 0 0 430.526 4.206 50 0 IIAARN COc1ccc(OC)c(/C=C/C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC000012924613 524800540 /nfs/dbraw/zinc/80/05/40/524800540.db2.gz LFHKXMNTKHKBHH-RMKNXTFCSA-N 0 0 445.541 4.105 50 0 IIAARN COc1ccc(OC)c(CN2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)c1 ZINC000012135618 524828938 /nfs/dbraw/zinc/82/89/38/524828938.db2.gz ARDKLIDOZVZLSR-HHHXNRCGSA-N 0 0 449.547 4.385 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)c1 ZINC000035672194 524867922 /nfs/dbraw/zinc/86/79/22/524867922.db2.gz ATJHRVXEAGGMDQ-UHFFFAOYSA-N 0 0 435.505 4.084 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000040131413 524901568 /nfs/dbraw/zinc/90/15/68/524901568.db2.gz SSGPHSHZTPNJIE-ZDUSSCGKSA-N 0 0 429.467 4.204 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1C ZINC000035334807 524929272 /nfs/dbraw/zinc/92/92/72/524929272.db2.gz LPRNTVANBTUBJO-KIHHCIJBSA-N 0 0 438.483 4.295 50 0 IIAARN COc1ccc(OCCC(=O)NCCCCCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000012781463 524940347 /nfs/dbraw/zinc/94/03/47/524940347.db2.gz VGHBKHADDRVNEN-UHFFFAOYSA-N 0 0 439.512 4.052 50 0 IIAARN C[C@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000012547906 524979192 /nfs/dbraw/zinc/97/91/92/524979192.db2.gz YRIUHGRRAXFUDI-HNNXBMFYSA-N 0 0 438.944 4.076 50 0 IIAARN C[C@H]1Cc2cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc2N1S(C)(=O)=O ZINC000012771724 524980557 /nfs/dbraw/zinc/98/05/57/524980557.db2.gz VSJMZUJXXUATKK-LBPRGKRZSA-N 0 0 447.969 4.426 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NC(C)C)c4)no3)CC2=O)cc1C ZINC000033257437 524987560 /nfs/dbraw/zinc/98/75/60/524987560.db2.gz NYKUASGUECXBLV-GOSISDBHSA-N 0 0 433.512 4.404 50 0 IIAARN C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccncc1 ZINC000012508326 524988556 /nfs/dbraw/zinc/98/85/56/524988556.db2.gz DCRQRLGPENNTJA-SFHVURJKSA-N 0 0 445.544 4.456 50 0 IIAARN C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020857444 524990884 /nfs/dbraw/zinc/99/08/84/524990884.db2.gz KXPDHYPHPNQWGB-FDDCHVKYSA-N 0 0 425.623 4.420 50 0 IIAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c(C)c1 ZINC000020510445 525037803 /nfs/dbraw/zinc/03/78/03/525037803.db2.gz BFHCIXGEIKJXPT-UHFFFAOYSA-N 0 0 448.548 4.154 50 0 IIAARN Cc1cc(N2C(=O)Cn3cccc3[C@@H]2C(=O)NC2CCC(C)CC2)ccc1Br ZINC000021368117 525050643 /nfs/dbraw/zinc/05/06/43/525050643.db2.gz XRIFVHKHDDHPLJ-UTKRZORCSA-N 0 0 444.373 4.342 50 0 IIAARN Cc1ccccc1C(=O)NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012914041 525056907 /nfs/dbraw/zinc/05/69/07/525056907.db2.gz QQVQEJGCCVLJJX-UHFFFAOYSA-N 0 0 444.354 4.173 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)NCc2ccco2)cc1C ZINC000033050698 525079780 /nfs/dbraw/zinc/07/97/80/525079780.db2.gz UYQMYEFNITVXST-UHFFFAOYSA-N 0 0 448.548 4.293 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccncc2)cc1 ZINC000012321237 525093061 /nfs/dbraw/zinc/09/30/61/525093061.db2.gz GFQJWWKLFHSWTG-UHFFFAOYSA-N 0 0 427.526 4.175 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)C(C)C)cc1 ZINC000012409883 525093154 /nfs/dbraw/zinc/09/31/54/525093154.db2.gz FANJKGUMQJQUQJ-UHFFFAOYSA-N 0 0 430.526 4.182 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000021151336 525103256 /nfs/dbraw/zinc/10/32/56/525103256.db2.gz MUSGFUMAOLZXHY-UHFFFAOYSA-N 0 0 425.488 4.191 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCCOC(C)C ZINC000021859306 525134818 /nfs/dbraw/zinc/13/48/18/525134818.db2.gz TUIVTLOCWFOQSG-HHHXNRCGSA-N 0 0 447.579 4.296 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021852572 525135633 /nfs/dbraw/zinc/13/56/33/525135633.db2.gz LOBNDSSQSBAUGB-SANMLTNESA-N 0 0 434.584 4.323 50 0 IIAARN Cc1cc(NC(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)no1 ZINC000033473285 525150699 /nfs/dbraw/zinc/15/06/99/525150699.db2.gz MQSWBVLSZBQHLA-KTKRTIGZSA-N 0 0 434.477 4.092 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@@H]2C)on1 ZINC000012806630 525155925 /nfs/dbraw/zinc/15/59/25/525155925.db2.gz SDWDWLUZZAECIG-DHSIGJKJSA-N 0 0 426.542 4.421 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@H]2C)on1 ZINC000014788656 525156782 /nfs/dbraw/zinc/15/67/82/525156782.db2.gz SDWDWLUZZAECIG-JCKWVBRZSA-N 0 0 426.542 4.421 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 ZINC000244914728 525203993 /nfs/dbraw/zinc/20/39/93/525203993.db2.gz BATVBXTYVPVEBL-FMKPAKJESA-N 0 0 441.553 4.049 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(-n2cncn2)cc1 ZINC000012593542 525221348 /nfs/dbraw/zinc/22/13/48/525221348.db2.gz ITASCGDFHDQKMQ-XDHUDOTRSA-N 0 0 438.487 4.213 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)no1 ZINC000012549466 525228743 /nfs/dbraw/zinc/22/87/43/525228743.db2.gz LWIWGIGVSGFORU-AWEZNQCLSA-N 0 0 436.965 4.326 50 0 IIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1C ZINC000033325813 525231578 /nfs/dbraw/zinc/23/15/78/525231578.db2.gz GFLIZXKGZDAPQC-NRFANRHFSA-N 0 0 437.565 4.396 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035945972 525240355 /nfs/dbraw/zinc/24/03/55/525240355.db2.gz INTOMJFDBXBBHM-NRFANRHFSA-N 0 0 442.947 4.076 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000036041741 525257154 /nfs/dbraw/zinc/25/71/54/525257154.db2.gz ODIIWGJLPROJDY-VXKWHMMOSA-N 0 0 428.960 4.367 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036041644 525257634 /nfs/dbraw/zinc/25/76/34/525257634.db2.gz YSWKZMDQCMKQAG-BJKOFHAPSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020377658 525262767 /nfs/dbraw/zinc/26/27/67/525262767.db2.gz KHMCJOMQCGWGEQ-QFIPXVFZSA-N 0 0 445.544 4.072 50 0 IIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000016975311 525276574 /nfs/dbraw/zinc/27/65/74/525276574.db2.gz BKZPHMVRPMYPJQ-UHFFFAOYSA-N 0 0 443.369 4.290 50 0 IIAARN COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000012361649 525281222 /nfs/dbraw/zinc/28/12/22/525281222.db2.gz GSKBKAFINDWEJL-HSZRJFAPSA-N 0 0 440.565 4.224 50 0 IIAARN COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012361574 525281611 /nfs/dbraw/zinc/28/16/11/525281611.db2.gz ZQGVUDFLXUHWLB-HXUWFJFHSA-N 0 0 447.354 4.053 50 0 IIAARN Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000012544893 525294147 /nfs/dbraw/zinc/29/41/47/525294147.db2.gz RBKZALUTKPJUJD-BUHFOSPRSA-N 0 0 446.525 4.348 50 0 IIAARN Cc1ccccc1OCCN(C)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000012762871 525296124 /nfs/dbraw/zinc/29/61/24/525296124.db2.gz LNZSBZZLHAHBGN-UHFFFAOYSA-N 0 0 445.441 4.019 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4F)o3)CC2)c(F)c1 ZINC000010340050 534847015 /nfs/dbraw/zinc/84/70/15/534847015.db2.gz VILYBNIVXINCHF-UHFFFAOYSA-N 0 0 439.462 4.104 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000011240707 534847211 /nfs/dbraw/zinc/84/72/11/534847211.db2.gz TXMFDAFAPFDPOE-UHFFFAOYSA-N 0 0 437.927 4.479 50 0 IIAARN Cc1ccc(Nc2nc(N)nc(CS[C@@H](C)C(=O)NCc3ccccc3Cl)n2)cc1 ZINC000012586107 525326873 /nfs/dbraw/zinc/32/68/73/525326873.db2.gz UGGYRZIPPNMWNE-AWEZNQCLSA-N 0 0 442.976 4.097 50 0 IIAARN Cc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1C ZINC000012235182 525327757 /nfs/dbraw/zinc/32/77/57/525327757.db2.gz CCVWEUOIABSCPM-UHFFFAOYSA-N 0 0 427.512 4.360 50 0 IIAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(Cc3cccc(C(F)(F)F)c3)s1)CS2 ZINC000013006575 525343980 /nfs/dbraw/zinc/34/39/80/525343980.db2.gz LJCJAQHOLKIKPI-KDOFPFPSSA-N 0 0 441.500 4.145 50 0 IIAARN Cc1ccccc1[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)C1 ZINC000012034529 525380282 /nfs/dbraw/zinc/38/02/82/525380282.db2.gz BBPVKEMEMYRUQT-ZBLYBZFDSA-N 0 0 448.563 4.101 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012756196 525410845 /nfs/dbraw/zinc/41/08/45/525410845.db2.gz HQGKXZOUMBIJQW-GOSISDBHSA-N 0 0 437.323 4.104 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 ZINC000021622591 525413292 /nfs/dbraw/zinc/41/32/92/525413292.db2.gz FDECFZAZQBGTAF-OAQYLSRUSA-N 0 0 425.506 4.239 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)ccc1Br ZINC000012915757 525421573 /nfs/dbraw/zinc/42/15/73/525421573.db2.gz SBEZAKJOLBVQMH-UHFFFAOYSA-N 0 0 443.750 4.339 50 0 IIAARN COc1ccc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012876020 525422869 /nfs/dbraw/zinc/42/28/69/525422869.db2.gz BZUCWLFGQYAQAP-ZBLYBZFDSA-N 0 0 443.547 4.151 50 0 biogenic IIAARN Cc1[nH]c2ccc(C(=O)N3CCN(Cc4nc(-c5ccc(C)cc5)no4)CC3)cc2c1C ZINC000012756888 525423106 /nfs/dbraw/zinc/42/31/06/525423106.db2.gz GSBCJWNRYSLGCI-UHFFFAOYSA-N 0 0 429.524 4.101 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12 ZINC000035447919 525432677 /nfs/dbraw/zinc/43/26/77/525432677.db2.gz QNSYWDXQNKGTTJ-UHFFFAOYSA-N 0 0 443.532 4.262 50 0 IIAARN COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCc3ccc(SC)cc3)o2)cc1 ZINC000020515033 525474893 /nfs/dbraw/zinc/47/48/93/525474893.db2.gz VLIPCYOZVJSCEH-GDLZYMKVSA-N 0 0 429.563 4.290 50 0 IIAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 ZINC000020323511 525515913 /nfs/dbraw/zinc/51/59/13/525515913.db2.gz BKXSEQSXKQIFNZ-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000012880755 525520827 /nfs/dbraw/zinc/52/08/27/525520827.db2.gz LFKIZNYAGLVRAA-JOCHJYFZSA-N 0 0 447.000 4.317 50 0 IIAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012925950 525554805 /nfs/dbraw/zinc/55/48/05/525554805.db2.gz DJXNCRYDQNYAQG-UHFFFAOYSA-N 0 0 428.533 4.455 50 0 IIAARN Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012850519 525558145 /nfs/dbraw/zinc/55/81/45/525558145.db2.gz SLJYUMFGWXWFED-UHFFFAOYSA-N 0 0 441.582 4.176 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1C ZINC000022767484 525575044 /nfs/dbraw/zinc/57/50/44/525575044.db2.gz JNQRBBKNXWMANG-HSZRJFAPSA-N 0 0 426.607 4.443 50 0 IIAARN Cc1ccn(C[C@@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 ZINC000020615885 525601615 /nfs/dbraw/zinc/60/16/15/525601615.db2.gz LRWCONINASSKES-CYBMUJFWSA-N 0 0 433.459 4.429 50 0 IIAARN Cc1cc2c(cc1C)n(CC(=O)Nc1cccc(F)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535162 525605932 /nfs/dbraw/zinc/60/59/32/525605932.db2.gz KJSKAYBSSRXONY-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000012630801 525614306 /nfs/dbraw/zinc/61/43/06/525614306.db2.gz NSTGDZRSZFQORT-UHFFFAOYSA-N 0 0 436.942 4.250 50 0 IIAARN Cc1c(C(=O)NC[C@@H]2CCCO2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012871387 525622050 /nfs/dbraw/zinc/62/20/50/525622050.db2.gz KPIRQSZQSPFVJZ-HNNXBMFYSA-N 0 0 443.594 4.111 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC3(CC2)OCCO3)cc1C ZINC000022573777 525634111 /nfs/dbraw/zinc/63/41/11/525634111.db2.gz ONWGSTSBTVOIPK-UHFFFAOYSA-N 0 0 438.549 4.028 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022501979 525659229 /nfs/dbraw/zinc/65/92/29/525659229.db2.gz NKTPYXSHIVICHG-UHFFFAOYSA-N 0 0 428.414 4.344 50 0 IIAARN COc1ccc2nc(N3C(=O)CS[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000017198272 525669755 /nfs/dbraw/zinc/66/97/55/525669755.db2.gz UBFRWDFIWMVISQ-LJQANCHMSA-N 0 0 432.523 4.109 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)[C@H](C)Oc3ccc(C)cc3)cc(=O)n2o1 ZINC000035378661 525674627 /nfs/dbraw/zinc/67/46/27/525674627.db2.gz AJNWHCVOMMAOFB-SFHVURJKSA-N 0 0 447.491 4.198 50 0 IIAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4ccc(F)cc4)cc3)cc(=O)n2o1 ZINC000035429534 525675869 /nfs/dbraw/zinc/67/58/69/525675869.db2.gz FUNQSXPHOJZDLJ-UHFFFAOYSA-N 0 0 439.468 4.045 50 0 IIAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(Cl)cc4)s3)cc(=O)n2o1 ZINC000035429581 525676097 /nfs/dbraw/zinc/67/60/97/525676097.db2.gz NULQAIYOEFMZFX-UHFFFAOYSA-N 0 0 448.917 4.037 50 0 IIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c12 ZINC000020947279 525676754 /nfs/dbraw/zinc/67/67/54/525676754.db2.gz IPEWEMBXPVVFLP-SFHVURJKSA-N 0 0 428.536 4.032 50 0 IIAARN Cc1c(C)n(-c2cc(Cl)ccc2C)c2ncn(CCC(=O)NC3CCCC3)c(=O)c12 ZINC000032999277 525677737 /nfs/dbraw/zinc/67/77/37/525677737.db2.gz QODVBHJPZBIRPG-UHFFFAOYSA-N 0 0 426.948 4.215 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)nc2c1 ZINC000012734962 525679804 /nfs/dbraw/zinc/67/98/04/525679804.db2.gz ROLUQKXAIVXWHM-IBGZPJMESA-N 0 0 427.526 4.045 50 0 IIAARN COc1cccc(-n2cc(C(=O)N(C)c3ccc(OC)cc3OC)c3ccccc3c2=O)c1 ZINC000020509055 525751735 /nfs/dbraw/zinc/75/17/35/525751735.db2.gz XKEJLVHFWJRVJG-UHFFFAOYSA-N 0 0 444.487 4.293 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012695521 525766552 /nfs/dbraw/zinc/76/65/52/525766552.db2.gz PNZQNUOYDCPGJO-JOCHJYFZSA-N 0 0 448.906 4.471 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1CCCc1ccccc1 ZINC000021860442 525791948 /nfs/dbraw/zinc/79/19/48/525791948.db2.gz VFSODYPMMPZNRS-MHZLTWQESA-N 0 0 444.579 4.333 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1cccnc1 ZINC000021862940 525792128 /nfs/dbraw/zinc/79/21/28/525792128.db2.gz LJDKCPBUFVQDMP-VWLOTQADSA-N 0 0 432.524 4.007 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccco1 ZINC000021858302 525803556 /nfs/dbraw/zinc/80/35/56/525803556.db2.gz PRCKAUJTOASKGY-SANMLTNESA-N 0 0 427.504 4.008 50 0 IIAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4ccc(Br)o4)n3n2)cc1 ZINC000020556815 525828360 /nfs/dbraw/zinc/82/83/60/525828360.db2.gz SSZFJTYLGJDWHU-UHFFFAOYSA-N 0 0 431.315 4.094 50 0 IIAARN COc1cccc(C(=O)Nc2cc(-c3ccc(OC)c(OC)c3)nn2-c2ccccn2)c1 ZINC000041156001 525832015 /nfs/dbraw/zinc/83/20/15/525832015.db2.gz VKGCRUMCBFADBY-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)CO3)c1 ZINC000035909452 525833265 /nfs/dbraw/zinc/83/32/65/525833265.db2.gz ZSLOMIQCDIPVCL-UHFFFAOYSA-N 0 0 434.467 4.050 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(F)cc2)C(=O)[C@H](C)O3)c1 ZINC000035884115 525833892 /nfs/dbraw/zinc/83/38/92/525833892.db2.gz UYNRCPFYHCTXJF-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN Cc1ccc(-c2nn(CN3CCC[C@H]3C(=O)N(C)C)c(=S)n2-c2ccc(C)cc2)cc1 ZINC000012596122 525841563 /nfs/dbraw/zinc/84/15/63/525841563.db2.gz TUJKNOLQRMVZAS-NRFANRHFSA-N 0 0 435.597 4.197 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000035961935 525855575 /nfs/dbraw/zinc/85/55/75/525855575.db2.gz OJXFNHJYSBIZPK-DEOSSOPVSA-N 0 0 433.552 4.330 50 0 IIAARN Cc1ccc(-c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccc(C)cc2)cc1 ZINC000012527431 525857623 /nfs/dbraw/zinc/85/76/23/525857623.db2.gz NPORZIFOQNMVKQ-INIZCTEOSA-N 0 0 446.584 4.238 50 0 IIAARN Cc1c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000022185790 525859880 /nfs/dbraw/zinc/85/98/80/525859880.db2.gz PLAVFSRYDOOUOU-UHFFFAOYSA-N 0 0 439.475 4.182 50 0 IIAARN Cc1c(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c(=O)n(-c2ccccc2)n1C ZINC000012289139 525865129 /nfs/dbraw/zinc/86/51/29/525865129.db2.gz DAVLFEQLAGILDH-UHFFFAOYSA-N 0 0 443.532 4.421 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)n2)cc1 ZINC000021940219 525884979 /nfs/dbraw/zinc/88/49/79/525884979.db2.gz JDGJCZRCHHEULI-OAQYLSRUSA-N 0 0 437.565 4.492 50 0 IIAARN Cc1ccc(-c2nsc3c2nc(SCC(=O)Nc2cccc(F)c2)n(C)c3=O)cc1 ZINC000033174512 525888104 /nfs/dbraw/zinc/88/81/04/525888104.db2.gz ARURGOFTXKDERO-UHFFFAOYSA-N 0 0 440.525 4.235 50 0 IIAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 ZINC000041097597 525888623 /nfs/dbraw/zinc/88/86/23/525888623.db2.gz MRQTYZNSNLMLKK-UHFFFAOYSA-N 0 0 439.518 4.333 50 0 IIAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000035961830 525890667 /nfs/dbraw/zinc/89/06/67/525890667.db2.gz QPUACMZSQIBARD-QGZVFWFLSA-N 0 0 427.526 4.365 50 0 IIAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000020582176 525894109 /nfs/dbraw/zinc/89/41/09/525894109.db2.gz DEDTWPYCIGITCS-UHFFFAOYSA-N 0 0 440.425 4.462 50 0 IIAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)N[C@@H](C)CCc4ccccc4)CC3)cn2)cc1 ZINC000035403842 525907225 /nfs/dbraw/zinc/90/72/25/525907225.db2.gz GTKYYKQSSBODJV-QFIPXVFZSA-N 0 0 428.580 4.407 50 0 IIAARN Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C ZINC000012529852 525919334 /nfs/dbraw/zinc/91/93/34/525919334.db2.gz LDYGTZSVGHROKX-SFHVURJKSA-N 0 0 432.553 4.039 50 0 IIAARN Cc1ccc(-n2nc(O[C@H](C)C(=O)Nc3ccc(Br)cc3)ccc2=O)cc1C ZINC000033125413 525929681 /nfs/dbraw/zinc/92/96/81/525929681.db2.gz OOOZYHRRZSAOJM-OAHLLOKOSA-N 0 0 442.313 4.018 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021809497 525930260 /nfs/dbraw/zinc/93/02/60/525930260.db2.gz HPKAOZXGJXMLKZ-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)nc2C ZINC000020563202 525936740 /nfs/dbraw/zinc/93/67/40/525936740.db2.gz JFVRZPISRWAXND-INIZCTEOSA-N 0 0 435.915 4.361 50 0 IIAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000012819043 525940769 /nfs/dbraw/zinc/94/07/69/525940769.db2.gz AHKDQSGQHBCDHJ-LJQANCHMSA-N 0 0 443.341 4.307 50 0 IIAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(COc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000035537713 525953533 /nfs/dbraw/zinc/95/35/33/525953533.db2.gz HZFJJIROMKCUNI-FQEVSTJZSA-N 0 0 436.552 4.008 50 0 IIAARN C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012600148 525955382 /nfs/dbraw/zinc/95/53/82/525955382.db2.gz CRGNPNGSBXSGHQ-QGZVFWFLSA-N 0 0 443.503 4.470 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)CC(C)(C)C)ccc3O[C@H](C)C2=O)c1OC ZINC000035909725 525960101 /nfs/dbraw/zinc/96/01/01/525960101.db2.gz RBNDENHSCRALOP-MRXNPFEDSA-N 0 0 440.540 4.388 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4n3)CC2)c1 ZINC000021704208 525963112 /nfs/dbraw/zinc/96/31/12/525963112.db2.gz YWSPNEUZYVHSOU-UHFFFAOYSA-N 0 0 446.551 4.043 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866845 525996036 /nfs/dbraw/zinc/99/60/36/525996036.db2.gz GVVXKLRSTPDRPT-MRXNPFEDSA-N 0 0 448.954 4.394 50 0 IIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccccc1Cl ZINC000021603405 526003204 /nfs/dbraw/zinc/00/32/04/526003204.db2.gz QDBVPGZEHYJJNV-LBPRGKRZSA-N 0 0 425.901 4.294 50 0 IIAARN C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000021422316 526006401 /nfs/dbraw/zinc/00/64/01/526006401.db2.gz NHEMXIDZBJBFFL-MRXNPFEDSA-N 0 0 442.972 4.482 50 0 IIAARN C[C@H](Sc1nnc(N)s1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012548743 526013151 /nfs/dbraw/zinc/01/31/51/526013151.db2.gz BITZYTFLWYEBFN-HZMBPMFUSA-N 0 0 433.946 4.225 50 0 IIAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c1OC ZINC000015776816 526022697 /nfs/dbraw/zinc/02/26/97/526022697.db2.gz ASLAKPIVLAXQTG-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cc3csc(-c4ccccc4)n3)c2C)no1 ZINC000023051257 526070234 /nfs/dbraw/zinc/07/02/34/526070234.db2.gz DMYJBDDCZKXZHQ-UHFFFAOYSA-N 0 0 435.505 4.483 50 0 IIAARN Cc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3Br)CC2)cc1 ZINC000032974188 526082806 /nfs/dbraw/zinc/08/28/06/526082806.db2.gz GJAINOXZMXTMOS-UHFFFAOYSA-N 0 0 429.358 4.316 50 0 IIAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(Br)cc4)CC3=O)c2c1 ZINC000012862943 526112595 /nfs/dbraw/zinc/11/25/95/526112595.db2.gz HBOWOGAPHKCLSN-INIZCTEOSA-N 0 0 440.341 4.269 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cccc(Cl)c3)c2n1 ZINC000021151349 526117236 /nfs/dbraw/zinc/11/72/36/526117236.db2.gz BUKCGYDDTPLIQR-UHFFFAOYSA-N 0 0 431.879 4.228 50 0 IIAARN Cc1cc(=O)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)nn1-c1ccccc1F ZINC000021589020 526132392 /nfs/dbraw/zinc/13/23/92/526132392.db2.gz ZZLNHXVHEWNIHF-UHFFFAOYSA-N 0 0 445.479 4.309 50 0 IIAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC=C(c3c[nH]c4ccccc43)CC1)C2=O ZINC000014349356 526140600 /nfs/dbraw/zinc/14/06/00/526140600.db2.gz CGXUEOKJLBEXOR-UHFFFAOYSA-N 0 0 427.504 4.168 50 0 IIAARN 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Cn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccc(F)cc1 ZINC000002621326 527084131 /nfs/dbraw/zinc/08/41/31/527084131.db2.gz BSGMWHHATYHRLT-UHFFFAOYSA-N 0 0 445.829 4.419 50 0 IIAARN O=C(CSc1nnnn1C1CCCCC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000012780884 527094923 /nfs/dbraw/zinc/09/49/23/527094923.db2.gz FNILHNYAEXJARP-HXUWFJFHSA-N 0 0 435.553 4.437 50 0 IIAARN Cn1c2ccc([C@@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)cc2n(C)c1=O ZINC000263586475 527107265 /nfs/dbraw/zinc/10/72/65/527107265.db2.gz UUETXZAELZAWKM-IBGZPJMESA-N 0 0 436.515 4.354 50 0 biogenic IIAARN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)ccc1F ZINC000012821462 527129729 /nfs/dbraw/zinc/12/97/29/527129729.db2.gz XKOYUQGXUXKCPD-UHFFFAOYSA-N 0 0 438.839 4.377 50 0 IIAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)Nc2ccccc2Cl)c2ccccc21 ZINC000021645358 527131689 /nfs/dbraw/zinc/13/16/89/527131689.db2.gz NEYHEYOXAJWWTF-UHFFFAOYSA-N 0 0 433.899 4.071 50 0 IIAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012746731 527158233 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IIAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)Nc1ccc(Cl)cc1 ZINC000013361225 527535692 /nfs/dbraw/zinc/53/56/92/527535692.db2.gz FWOBLGCGZLHIBA-UHFFFAOYSA-N 0 0 444.929 4.364 50 0 IIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024585428 527535865 /nfs/dbraw/zinc/53/58/65/527535865.db2.gz FIUAZXXYHYAVHP-KRWDZBQOSA-N 0 0 440.550 4.200 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000012547837 527541989 /nfs/dbraw/zinc/54/19/89/527541989.db2.gz CARUYZSUJHRFBE-UHFFFAOYSA-N 0 0 427.430 4.174 50 0 IIAARN O=C(NC1Cc2ccccc2C1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000020235514 527545224 /nfs/dbraw/zinc/54/52/24/527545224.db2.gz SLABIKPHPPXUGN-UHFFFAOYSA-N 0 0 438.575 4.132 50 0 IIAARN Cn1nc(C(=O)N[C@@H]2CCCc3ccccc32)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000020616814 527546229 /nfs/dbraw/zinc/54/62/29/527546229.db2.gz CIVIYJQAGKQWLB-FGZHOGPDSA-N 0 0 428.536 4.035 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000012245314 527606064 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IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000623382 555511384 /nfs/dbraw/zinc/51/13/84/555511384.db2.gz ZVQGOSLFLRAEIH-IBGZPJMESA-N 0 0 445.313 4.219 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000000641218 555518726 /nfs/dbraw/zinc/51/87/26/555518726.db2.gz WMYMIUKIJOBSDG-SFHVURJKSA-N 0 0 430.302 4.114 50 0 IIAARN Cc1cccc(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000000645352 555520155 /nfs/dbraw/zinc/52/01/55/555520155.db2.gz HPFHHFIZSHCACC-UHFFFAOYSA-N 0 0 434.561 4.356 50 0 IIAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000000645121 555520209 /nfs/dbraw/zinc/52/02/09/555520209.db2.gz OPXSVKVJXIXZIY-UHFFFAOYSA-N 0 0 432.299 4.433 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000000646161 555520757 /nfs/dbraw/zinc/52/07/57/555520757.db2.gz IZRHWUMULNLSRG-QHCPKHFHSA-N 0 0 438.524 4.197 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(Cl)c2C)cc1 ZINC000000656495 555525046 /nfs/dbraw/zinc/52/50/46/555525046.db2.gz RZWLNHAXRBIWIR-UHFFFAOYSA-N 0 0 429.929 4.186 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(Br)o2)cc1 ZINC000000657775 555525733 /nfs/dbraw/zinc/52/57/33/555525733.db2.gz OAWKOXZXMZPSFA-PTNGSMBKSA-N 0 0 431.242 4.053 50 0 IIAARN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000664230 555527653 /nfs/dbraw/zinc/52/76/53/555527653.db2.gz GVPSKZMOPDHCKK-UHFFFAOYSA-N 0 0 447.358 4.468 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncn(-c3ccccc3)n1)CCCC2 ZINC000000665945 555528344 /nfs/dbraw/zinc/52/83/44/555528344.db2.gz YKKKFKVKGKKODR-UHFFFAOYSA-N 0 0 442.566 4.115 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000667333 555529242 /nfs/dbraw/zinc/52/92/42/555529242.db2.gz XLEKJXSXFXQNIC-UHFFFAOYSA-N 0 0 428.476 4.354 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2c(OCC)ccc3ccccc32)c(C(N)=O)c1C ZINC000000667211 555529271 /nfs/dbraw/zinc/52/92/71/555529271.db2.gz BSQJSGXZIVRUMM-UHFFFAOYSA-N 0 0 426.494 4.136 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000670164 555530465 /nfs/dbraw/zinc/53/04/65/555530465.db2.gz DIPADFDZANGECU-MRXNPFEDSA-N 0 0 443.455 4.314 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000670574 555530766 /nfs/dbraw/zinc/53/07/66/555530766.db2.gz ZAODSZVYROBZJM-CYBMUJFWSA-N 0 0 443.352 4.184 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000670701 555530821 /nfs/dbraw/zinc/53/08/21/555530821.db2.gz VOGAMQIYRPGCNB-UHFFFAOYSA-N 0 0 443.352 4.186 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000674456 555533071 /nfs/dbraw/zinc/53/30/71/555533071.db2.gz OVGXYMYOPQGFGL-UHFFFAOYSA-N 0 0 425.348 4.040 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2)cc1C ZINC000000677073 555535448 /nfs/dbraw/zinc/53/54/48/555535448.db2.gz AJJJQYQFSMMMFL-UHFFFAOYSA-N 0 0 445.610 4.498 50 0 IIAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1I ZINC000000678878 555536350 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555932897 /nfs/dbraw/zinc/93/28/97/555932897.db2.gz ASQOJBMRCDGUIU-UHFFFAOYSA-N 0 0 427.545 4.287 50 0 IIAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccccc2Br)CC3)c1 ZINC000034927317 555933268 /nfs/dbraw/zinc/93/32/68/555933268.db2.gz ZNUMPYJXOCZKSE-UHFFFAOYSA-N 0 0 445.382 4.470 50 0 IIAARN COCCCn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc(F)cc1)CCC3 ZINC000003520226 555937957 /nfs/dbraw/zinc/93/79/57/555937957.db2.gz MQEYMIWHUVKUOF-UHFFFAOYSA-N 0 0 432.542 4.097 50 0 IIAARN Cc1nc2nc(SCC(=O)N3CCC(C)CC3)nn2c(C)c1Cc1ccccc1Cl ZINC000003638224 555942779 /nfs/dbraw/zinc/94/27/79/555942779.db2.gz ZLKJPEMBVLEZNZ-UHFFFAOYSA-N 0 0 444.004 4.336 50 0 IIAARN COC(=O)c1ccc(OC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004290477 555983452 /nfs/dbraw/zinc/98/34/52/555983452.db2.gz CHUFVIFXXBQCLM-UHFFFAOYSA-N 0 0 426.639 4.183 50 0 IIAARN CCN(CC)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(N(CC)CC)n1 ZINC000004390503 555992425 /nfs/dbraw/zinc/99/24/25/555992425.db2.gz ZEJDFXZWZJXWQZ-UHFFFAOYSA-N 0 0 430.549 4.052 50 0 IIAARN CCC[C@H](C)NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000004808099 556012750 /nfs/dbraw/zinc/01/27/50/556012750.db2.gz WFAKLXFZZOEBIM-QZGUCNERSA-N 0 0 432.630 4.225 50 0 IIAARN O=C1c2cccc3cccc(c32)C(=O)N1CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000005328308 556045689 /nfs/dbraw/zinc/04/56/89/556045689.db2.gz KRSDXSWORJBKDN-UHFFFAOYSA-N 0 0 434.451 4.275 50 0 IIAARN CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000006089583 556076404 /nfs/dbraw/zinc/07/64/04/556076404.db2.gz CBTOMNJYUVYGOZ-OAHLLOKOSA-N 0 0 435.299 4.264 50 0 IIAARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]1C=C[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000022661642 556092402 /nfs/dbraw/zinc/09/24/02/556092402.db2.gz HVARHDAWKQCAGC-LNHNDHHWSA-N 0 0 445.462 4.003 50 0 IIAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(Cl)cc1 ZINC000002615972 556113774 /nfs/dbraw/zinc/11/37/74/556113774.db2.gz GRUXCSOFUTXMHG-UHFFFAOYSA-N 0 0 433.986 4.066 50 0 IIAARN COc1cc(Cl)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC ZINC000010587270 556116539 /nfs/dbraw/zinc/11/65/39/556116539.db2.gz CGUFBICGLOREFL-UHFFFAOYSA-N 0 0 447.944 4.105 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002689596 556119626 /nfs/dbraw/zinc/11/96/26/556119626.db2.gz OEXWIYHFKVBEQI-UHFFFAOYSA-N 0 0 445.446 4.200 50 0 IIAARN COc1cccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002692070 556120236 /nfs/dbraw/zinc/12/02/36/556120236.db2.gz GGSANTODUIGWSY-UHFFFAOYSA-N 0 0 441.455 4.169 50 0 IIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000002701339 556122678 /nfs/dbraw/zinc/12/26/78/556122678.db2.gz MGYRDZWVGVWWOX-UHFFFAOYSA-N 0 0 443.546 4.313 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCOC)cc1OC ZINC000002703636 556123026 /nfs/dbraw/zinc/12/30/26/556123026.db2.gz OIRZWIGXKZSWAS-JOCHJYFZSA-N 0 0 437.492 4.009 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000002704050 556123226 /nfs/dbraw/zinc/12/32/26/556123226.db2.gz INKQIKIVAXZYGP-HSZRJFAPSA-N 0 0 441.439 4.276 50 0 IIAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002704034 556123243 /nfs/dbraw/zinc/12/32/43/556123243.db2.gz PKJSCLMBYQMNER-QHCPKHFHSA-N 0 0 443.455 4.261 50 0 IIAARN Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002711587 556125068 /nfs/dbraw/zinc/12/50/68/556125068.db2.gz VFRZMZGQXZMXAY-UHFFFAOYSA-N 0 0 425.373 4.051 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)OCc1ccccc1 ZINC000002720016 556126531 /nfs/dbraw/zinc/12/65/31/556126531.db2.gz HKKVHSRVDCUJAG-UHFFFAOYSA-N 0 0 444.965 4.370 50 0 IIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=S)N=NC1c1cnn(C)c1 ZINC000002731525 556134455 /nfs/dbraw/zinc/13/44/55/556134455.db2.gz WVXKJFDUVGCSIV-UHFFFAOYSA-N 0 0 434.356 4.125 50 0 IIAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000002745879 556136373 /nfs/dbraw/zinc/13/63/73/556136373.db2.gz YOFWJHGHUUXXMW-IBGZPJMESA-N 0 0 448.552 4.467 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](C)NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002747084 556136590 /nfs/dbraw/zinc/13/65/90/556136590.db2.gz PJYRIBKMWGIZDZ-OAHLLOKOSA-N 0 0 444.491 4.162 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1C ZINC000002767755 556139858 /nfs/dbraw/zinc/13/98/58/556139858.db2.gz SJBZGSDJIJNAFA-UHFFFAOYSA-N 0 0 445.544 4.096 50 0 IIAARN Cn1ncc2c3nc(-c4cccc(COc5ccccc5Br)c4)nn3cnc21 ZINC000002800012 556142081 /nfs/dbraw/zinc/14/20/81/556142081.db2.gz VCPMAOUJZLFWAJ-UHFFFAOYSA-N 0 0 435.285 4.020 50 0 IIAARN COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)o1 ZINC000002796310 556145666 /nfs/dbraw/zinc/14/56/66/556145666.db2.gz RNNUGQYRPCGRCZ-UHFFFAOYSA-N 0 0 438.871 4.413 50 0 IIAARN Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002808920 556146972 /nfs/dbraw/zinc/14/69/72/556146972.db2.gz MJIAYELKNOEGGN-NSHDSACASA-N 0 0 446.824 4.250 50 0 IIAARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)(C)C)cc1 ZINC000002980063 556153934 /nfs/dbraw/zinc/15/39/34/556153934.db2.gz UXPWUVSVPNDJRH-FQEVSTJZSA-N 0 0 441.524 4.041 50 0 IIAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc21 ZINC000003007577 556156758 /nfs/dbraw/zinc/15/67/58/556156758.db2.gz YVVRRZFSPGEKAP-QZTJIDSGSA-N 0 0 425.573 4.023 50 0 IIAARN CCCOc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1OC ZINC000008384869 556160600 /nfs/dbraw/zinc/16/06/00/556160600.db2.gz JPMDVLBDHZXEHE-UHFFFAOYSA-N 0 0 446.547 4.200 50 0 IIAARN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC ZINC000008395973 556163065 /nfs/dbraw/zinc/16/30/65/556163065.db2.gz BYSLMYCIIZISHR-ZRRZQRFHSA-N 0 0 427.906 4.125 50 0 IIAARN Cc1cccc(C)c1OCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000008439699 556175857 /nfs/dbraw/zinc/17/58/57/556175857.db2.gz WNTADFUMLWPGIM-DEOSSOPVSA-N 0 0 446.547 4.336 50 0 IIAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1ccc(C2CCCCC2)cc1 ZINC000008439756 556175902 /nfs/dbraw/zinc/17/59/02/556175902.db2.gz URMIDISYCNRIJD-AREMUKBSSA-N 0 0 447.579 4.458 50 0 IIAARN CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000008443193 556178010 /nfs/dbraw/zinc/17/80/10/556178010.db2.gz UGNZQZLQGSJQGP-SQJGXBMISA-N 0 0 430.869 4.301 50 0 IIAARN CC(C)(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000008721840 556203088 /nfs/dbraw/zinc/20/30/88/556203088.db2.gz IFNDHASAFJWQIV-UHFFFAOYSA-N 0 0 429.369 4.099 50 0 IIAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)N[C@@H]4CCCc5occc54)CC3)n2)cc1 ZINC000097438263 556204111 /nfs/dbraw/zinc/20/41/11/556204111.db2.gz AWMLJMQDLAAPSJ-FXAWDEMLSA-N 0 0 435.528 4.104 50 0 IIAARN Cc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1C ZINC000008745931 556209451 /nfs/dbraw/zinc/20/94/51/556209451.db2.gz MUATYXYMXMYMJV-UHFFFAOYSA-N 0 0 426.516 4.262 50 0 IIAARN CC(C)(c1ccccc1)c1ccc(OCCNC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000008783068 556214934 /nfs/dbraw/zinc/21/49/34/556214934.db2.gz JXZHKZFXKXNXFM-UHFFFAOYSA-N 0 0 427.504 4.058 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816065 556217393 /nfs/dbraw/zinc/21/73/93/556217393.db2.gz OMAFNZSKZHWVNV-INIZCTEOSA-N 0 0 447.466 4.078 50 0 IIAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000008856133 556227354 /nfs/dbraw/zinc/22/73/54/556227354.db2.gz LWQFCRYRMAATSL-UHFFFAOYSA-N 0 0 434.385 4.266 50 0 IIAARN COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1Cl ZINC000008911024 556231677 /nfs/dbraw/zinc/23/16/77/556231677.db2.gz PAJPGWGRPCMEKI-ZDUSSCGKSA-N 0 0 449.290 4.029 50 0 IIAARN O=C1N[C@H](c2ccc(Cl)cc2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915317 556231964 /nfs/dbraw/zinc/23/19/64/556231964.db2.gz ZNMZCTBQRLPDHG-CPUCHLNUSA-N 0 0 433.213 4.097 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1OC ZINC000008973366 556237939 /nfs/dbraw/zinc/23/79/39/556237939.db2.gz LCJWEWLPCCXSNW-UHFFFAOYSA-N 0 0 437.521 4.097 50 0 IIAARN COc1ccc(-c2cnn3c2ncc(-c2ccc(Br)cc2)c3N)cc1OC ZINC000008991975 556239131 /nfs/dbraw/zinc/23/91/31/556239131.db2.gz KSIAUJFXHBBTJU-UHFFFAOYSA-N 0 0 425.286 4.425 50 0 IIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000009147006 556249524 /nfs/dbraw/zinc/24/95/24/556249524.db2.gz DDBLBARRIRLXIL-QGZVFWFLSA-N 0 0 427.533 4.399 50 0 IIAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000009161183 556249756 /nfs/dbraw/zinc/24/97/56/556249756.db2.gz JHDCHIVELMFHJX-CQSZACIVSA-N 0 0 432.480 4.288 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000009197757 556255792 /nfs/dbraw/zinc/25/57/92/556255792.db2.gz MKEPZDAWGIIBME-SFTDATJTSA-N 0 0 437.569 4.199 50 0 IIAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)Cc3ccc(Cl)cc3)s2)CC1=O ZINC000009198250 556256493 /nfs/dbraw/zinc/25/64/93/556256493.db2.gz WGPMYKSHXJKLBC-INIZCTEOSA-N 0 0 440.956 4.456 50 0 IIAARN O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1)N1CCCCC1 ZINC000009236397 556263823 /nfs/dbraw/zinc/26/38/23/556263823.db2.gz NTUHHLHWUFIDMJ-RBUKOAKNSA-N 0 0 439.972 4.370 50 0 IIAARN O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1)N1CCCCC1 ZINC000009236395 556263889 /nfs/dbraw/zinc/26/38/89/556263889.db2.gz NTUHHLHWUFIDMJ-RTBURBONSA-N 0 0 439.972 4.370 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)c(C)c1)S2 ZINC000009237911 556264486 /nfs/dbraw/zinc/26/44/86/556264486.db2.gz PCMRZYRGDVQOMN-SJORKVTESA-N 0 0 444.358 4.055 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009238960 556265309 /nfs/dbraw/zinc/26/53/09/556265309.db2.gz VUROSGCZIAHBKB-ROUUACIJSA-N 0 0 447.923 4.176 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000009239245 556265552 /nfs/dbraw/zinc/26/55/52/556265552.db2.gz FWQMEHQQUHCYPO-RTWAWAEBSA-N 0 0 437.569 4.254 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239603 556266025 /nfs/dbraw/zinc/26/60/25/556266025.db2.gz HBSRZBIUEMGPKG-WOJBJXKFSA-N 0 0 425.533 4.330 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239597 556266051 /nfs/dbraw/zinc/26/60/51/556266051.db2.gz QDHHDARBWYMWMK-SFTDATJTSA-N 0 0 437.569 4.199 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239607 556266101 /nfs/dbraw/zinc/26/61/01/556266101.db2.gz HBSRZBIUEMGPKG-PMACEKPBSA-N 0 0 425.533 4.330 50 0 IIAARN O=C(COc1ccccc1)Nc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000009252430 556267418 /nfs/dbraw/zinc/26/74/18/556267418.db2.gz AROWPPXKTRPUQF-UHFFFAOYSA-N 0 0 433.489 4.331 50 0 IIAARN COc1cc(-n2c3nnc(C4CCCCC4)n3c3ccccc3c2=O)cc(OC)c1OC ZINC000009264143 556270105 /nfs/dbraw/zinc/27/01/05/556270105.db2.gz ZQQJAZHYABMAKH-UHFFFAOYSA-N 0 0 434.496 4.107 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 ZINC000009295096 556274874 /nfs/dbraw/zinc/27/48/74/556274874.db2.gz PBPXAGXAQLDINC-WOJBJXKFSA-N 0 0 425.533 4.330 50 0 IIAARN COc1cc(NC(=O)CCn2ccc3ccc(Br)cc32)cc(OC)c1OC ZINC000013691362 556280574 /nfs/dbraw/zinc/28/05/74/556280574.db2.gz DHNRCLQRJKPCSI-UHFFFAOYSA-N 0 0 433.302 4.458 50 0 IIAARN CC(=O)Nc1nc2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2s1 ZINC000013691609 556281203 /nfs/dbraw/zinc/28/12/03/556281203.db2.gz WJRQHIPSNDZMKS-UHFFFAOYSA-N 0 0 429.929 4.032 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCc4ccsc4)c(C)c13)CCC(C)(C)O2 ZINC000013727626 556293799 /nfs/dbraw/zinc/29/37/99/556293799.db2.gz MDUAAHDSPSHYCK-UHFFFAOYSA-N 0 0 441.549 4.177 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(OC)c1 ZINC000009480089 556293791 /nfs/dbraw/zinc/29/37/91/556293791.db2.gz VLQRNNLDOGUOIZ-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000009484184 556294490 /nfs/dbraw/zinc/29/44/90/556294490.db2.gz ZGTNJQABPSWMFC-HXUWFJFHSA-N 0 0 425.448 4.259 50 0 IIAARN O=C(NCCc1ccccc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013730797 556295422 /nfs/dbraw/zinc/29/54/22/556295422.db2.gz BAFMJWFCWLNJJG-UHFFFAOYSA-N 0 0 426.560 4.416 50 0 IIAARN CSc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000009526079 556297013 /nfs/dbraw/zinc/29/70/13/556297013.db2.gz ZWROTBDBLQRHSY-UHFFFAOYSA-N 0 0 434.564 4.010 50 0 IIAARN Brc1cccc(-c2nnc3sc(-c4cncc(Br)c4)nn32)c1 ZINC000013734434 556297212 /nfs/dbraw/zinc/29/72/12/556297212.db2.gz JJZZLUBHFTZDOY-UHFFFAOYSA-N 0 0 437.120 4.440 50 0 IIAARN Cc1ccc(SCCNC(=O)CSc2nc(Cc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000032739561 556300116 /nfs/dbraw/zinc/30/01/16/556300116.db2.gz SLMXBOHBVXDNQS-UHFFFAOYSA-N 0 0 433.002 4.358 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)c1ccccc1 ZINC000009601268 556302492 /nfs/dbraw/zinc/30/24/92/556302492.db2.gz OBRKSTJCFHHZHN-LJQANCHMSA-N 0 0 442.581 4.112 50 0 IIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)NCc1ccco1 ZINC000032741818 556303719 /nfs/dbraw/zinc/30/37/19/556303719.db2.gz HTEWTMRPOCQFPG-UHFFFAOYSA-N 0 0 433.493 4.069 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c1 ZINC000013768501 556304366 /nfs/dbraw/zinc/30/43/66/556304366.db2.gz LETHRQGOKYTXCQ-HDYLNDSGSA-N 0 0 438.568 4.319 50 0 IIAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)CC1=O ZINC000009668516 556305138 /nfs/dbraw/zinc/30/51/38/556305138.db2.gz YUCJBVDNROTPOB-NRFANRHFSA-N 0 0 441.531 4.259 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000009668150 556305241 /nfs/dbraw/zinc/30/52/41/556305241.db2.gz AVSGZVBWZOFVKX-UHFFFAOYSA-N 0 0 437.359 4.448 50 0 IIAARN Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000032752859 556313822 /nfs/dbraw/zinc/31/38/22/556313822.db2.gz NPVRQSALSOHPPF-OAQYLSRUSA-N 0 0 439.537 4.140 50 0 IIAARN C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1nnc2ccccn21)c1ccccc1 ZINC000032747581 556316722 /nfs/dbraw/zinc/31/67/22/556316722.db2.gz OXDOQINUYDXKFR-XMMPIXPASA-N 0 0 427.533 4.156 50 0 IIAARN O=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000013831133 556317008 /nfs/dbraw/zinc/31/70/08/556317008.db2.gz MZOXMGKGKWSCKH-UHFFFAOYSA-N 0 0 443.613 4.159 50 0 IIAARN COc1ccc(-c2noc(CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)n2)cc1OC ZINC000032759537 556319710 /nfs/dbraw/zinc/31/97/10/556319710.db2.gz ZKMNEWVBAKCZOF-QFIPXVFZSA-N 0 0 425.485 4.012 50 0 IIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)cc2)n1 ZINC000032760427 556320543 /nfs/dbraw/zinc/32/05/43/556320543.db2.gz LYCRSTGFMXRACL-OAQYLSRUSA-N 0 0 432.549 4.488 50 0 IIAARN Cc1cc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)cc3)CC2)nc(C(C)C)n1 ZINC000032753159 556322133 /nfs/dbraw/zinc/32/21/33/556322133.db2.gz CJHAQVTYXPQJBW-UHFFFAOYSA-N 0 0 446.526 4.241 50 0 IIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000032753639 556322937 /nfs/dbraw/zinc/32/29/37/556322937.db2.gz ZDFLDSNWRILRES-PKTZIBPZSA-N 0 0 432.520 4.178 50 0 IIAARN Cc1ccc2c(Cl)cc(Cl)c(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2n1 ZINC000032755072 556324382 /nfs/dbraw/zinc/32/43/82/556324382.db2.gz NKXLQTANHIOCFU-UHFFFAOYSA-N 0 0 446.333 4.021 50 0 IIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4cccs4)no3)C2=O)cc1C ZINC000032765075 556332529 /nfs/dbraw/zinc/33/25/29/556332529.db2.gz ZLLKSIWXDVEOCT-XMMPIXPASA-N 0 0 444.516 4.411 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)N[C@H](C)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc12 ZINC000032771107 556334783 /nfs/dbraw/zinc/33/47/83/556334783.db2.gz DEUDBJGXACTPMF-GFCCVEGCSA-N 0 0 442.445 4.281 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc2c(c1)OCCO2 ZINC000013941867 556338829 /nfs/dbraw/zinc/33/88/29/556338829.db2.gz FVOSKLYFTYBTAZ-UHFFFAOYSA-N 0 0 444.944 4.429 50 0 IIAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000013945027 556342349 /nfs/dbraw/zinc/34/23/49/556342349.db2.gz PZWNGGSIZRIGQR-UHFFFAOYSA-N 0 0 448.552 4.438 50 0 IIAARN COc1ccc(Cc2nn3c(nnc3-c3ccccc3Br)s2)cc1OC ZINC000013945097 556342776 /nfs/dbraw/zinc/34/27/76/556342776.db2.gz WVHDJOHGSVXXJG-UHFFFAOYSA-N 0 0 431.315 4.223 50 0 IIAARN Cc1nnsc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000011661416 556343016 /nfs/dbraw/zinc/34/30/16/556343016.db2.gz ZXLJQVIIGOEUTD-CYBMUJFWSA-N 0 0 426.464 4.136 50 0 IIAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@@H](OCc4ccccn4)C3)n2)c1 ZINC000011665407 556346020 /nfs/dbraw/zinc/34/60/20/556346020.db2.gz GXRNHCPKVSWXAW-LJQANCHMSA-N 0 0 432.446 4.255 50 0 IIAARN CC(=O)c1ccc(OCc2cc(C(=O)N[C@H](c3ccccc3)c3ccncc3)no2)cc1 ZINC000011666288 556346086 /nfs/dbraw/zinc/34/60/86/556346086.db2.gz MEXXHPYMUINFMP-XMMPIXPASA-N 0 0 427.460 4.371 50 0 IIAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011770430 556350149 /nfs/dbraw/zinc/35/01/49/556350149.db2.gz PZWNBPVXARTGGI-OAQYLSRUSA-N 0 0 429.564 4.343 50 0 IIAARN CCOC(=O)C(C(=O)OCC)[C@@H](NC(=O)OCc1ccccc1)c1cccc(Cl)c1 ZINC000014007400 556353794 /nfs/dbraw/zinc/35/37/94/556353794.db2.gz PIGBEJLRNMTWIW-IBGZPJMESA-N 0 0 433.888 4.050 50 0 IIAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000011816557 556359102 /nfs/dbraw/zinc/35/91/02/556359102.db2.gz ADLLWCUWULNRHD-QGZVFWFLSA-N 0 0 445.878 4.263 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)O1 ZINC000014070805 556361087 /nfs/dbraw/zinc/36/10/87/556361087.db2.gz CJEGSUMCBJYORQ-BETUJISGSA-N 0 0 443.352 4.044 50 0 IIAARN C[C@@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)NCCC1=CCCCC1 ZINC000014077809 556362503 /nfs/dbraw/zinc/36/25/03/556362503.db2.gz SKEOZVQXCQFGPF-QGZVFWFLSA-N 0 0 435.597 4.223 50 0 IIAARN O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000014086163 556364616 /nfs/dbraw/zinc/36/46/16/556364616.db2.gz CCVUJMHIBKXCMK-XMMPIXPASA-N 0 0 425.488 4.311 50 0 IIAARN Cc1nc2cc(NC(=O)C(C)C)cc(C(=O)NCC(F)(F)F)c2n1Cc1ccccc1 ZINC000011841944 556365499 /nfs/dbraw/zinc/36/54/99/556365499.db2.gz BWHYRPJHUUBXAK-UHFFFAOYSA-N 0 0 432.446 4.280 50 0 IIAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000014109541 556369011 /nfs/dbraw/zinc/36/90/11/556369011.db2.gz ALPJDWSEMLLBPD-UHFFFAOYSA-N 0 0 441.487 4.266 50 0 IIAARN COc1ccc(Cc2noc(CN3CCC[C@@H](C(=O)CCc4ccccc4)C3)n2)cc1OC ZINC000011879559 556371735 /nfs/dbraw/zinc/37/17/35/556371735.db2.gz MGRPGSBREQWWBS-OAQYLSRUSA-N 0 0 449.551 4.092 50 0 IIAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905233 556373883 /nfs/dbraw/zinc/37/38/83/556373883.db2.gz HGXLJDUJHKWEBP-QGZVFWFLSA-N 0 0 430.302 4.264 50 0 IIAARN CCn1c(SCC(=O)N[C@H](c2cccs2)c2ccccc2)nnc1-c1ccncc1 ZINC000014129240 556374248 /nfs/dbraw/zinc/37/42/48/556374248.db2.gz PJCKPYMVNVFIIX-FQEVSTJZSA-N 0 0 435.578 4.419 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000011934124 556377537 /nfs/dbraw/zinc/37/75/37/556377537.db2.gz REQZNJBHTOKURP-ICSRJNTNSA-N 0 0 440.584 4.127 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)s2)cs1 ZINC000014180245 556382185 /nfs/dbraw/zinc/38/21/85/556382185.db2.gz USEATSYZYAGCRD-PBHICJAKSA-N 0 0 425.579 4.406 50 0 IIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000014181483 556382402 /nfs/dbraw/zinc/38/24/02/556382402.db2.gz RIFWOSACYVTXKC-UHFFFAOYSA-N 0 0 444.487 4.167 50 0 IIAARN O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014186100 556385796 /nfs/dbraw/zinc/38/57/96/556385796.db2.gz MGPPQACRCHYNCV-UHFFFAOYSA-N 0 0 439.002 4.387 50 0 IIAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H](O)COCc1ccccc1Cl ZINC000014197818 556389141 /nfs/dbraw/zinc/38/91/41/556389141.db2.gz XLBVWMRQKQXNRP-QGZVFWFLSA-N 0 0 444.915 4.495 50 0 IIAARN Cc1ccccc1[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)C1 ZINC000012034530 556389252 /nfs/dbraw/zinc/38/92/52/556389252.db2.gz BBPVKEMEMYRUQT-IDISGSTGSA-N 0 0 448.563 4.101 50 0 IIAARN COC(=O)c1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)c2ccco2)c1 ZINC000012038560 556390484 /nfs/dbraw/zinc/39/04/84/556390484.db2.gz BMAGXOYJZLHNPD-UHFFFAOYSA-N 0 0 436.508 4.151 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F)c1ccc(F)cc1 ZINC000014202272 556392673 /nfs/dbraw/zinc/39/26/73/556392673.db2.gz TWLNWBBUCJVZBX-QHCPKHFHSA-N 0 0 433.458 4.104 50 0 IIAARN CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NCCc3ccccn3)c21 ZINC000012052100 556392868 /nfs/dbraw/zinc/39/28/68/556392868.db2.gz HDQRXGUIUNFJLD-UHFFFAOYSA-N 0 0 445.498 4.188 50 0 IIAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(C)C ZINC000012062170 556395514 /nfs/dbraw/zinc/39/55/14/556395514.db2.gz XAXWMQSEOOAGHE-OAQYLSRUSA-N 0 0 432.568 4.198 50 0 IIAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccc(F)cc1F ZINC000014231866 556398214 /nfs/dbraw/zinc/39/82/14/556398214.db2.gz CKCBYHQINUQVDC-SECBINFHSA-N 0 0 449.306 4.203 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000014240756 556401227 /nfs/dbraw/zinc/40/12/27/556401227.db2.gz DNMBPHIEHFSMTR-UHFFFAOYSA-N 0 0 438.474 4.322 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C1 ZINC000014242836 556403507 /nfs/dbraw/zinc/40/35/07/556403507.db2.gz BMVIDWUHLWUVNS-HDICACEKSA-N 0 0 444.622 4.496 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)n2)cc1 ZINC000032578840 556405783 /nfs/dbraw/zinc/40/57/83/556405783.db2.gz SWGVMLOGEGYPEQ-UHFFFAOYSA-N 0 0 433.439 4.247 50 0 IIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000014246275 556406262 /nfs/dbraw/zinc/40/62/62/556406262.db2.gz DXQMBCRPUCIIKB-LJQANCHMSA-N 0 0 433.533 4.426 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219255002 556406336 /nfs/dbraw/zinc/40/63/36/556406336.db2.gz OBJJBECZPBLCBA-SFHVURJKSA-N 0 0 429.922 4.077 50 0 IIAARN CC(C)c1noc(-c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)n1 ZINC000032579098 556406357 /nfs/dbraw/zinc/40/63/57/556406357.db2.gz ZVDXTMZHAYTMEN-UHFFFAOYSA-N 0 0 440.931 4.241 50 0 IIAARN Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCS1 ZINC000219285664 556408376 /nfs/dbraw/zinc/40/83/76/556408376.db2.gz WRJBQFASISTBOG-QFIPXVFZSA-N 0 0 431.623 4.426 50 0 IIAARN Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CCS1 ZINC000219290435 556408640 /nfs/dbraw/zinc/40/86/40/556408640.db2.gz LEJCREWLCFDHKZ-QGZVFWFLSA-N 0 0 425.522 4.312 50 0 IIAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622199 556409690 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446.787 4.416 50 0 IIAARN CC(C)(C)OC(=O)NCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 ZINC000060158679 556806949 /nfs/dbraw/zinc/80/69/49/556806949.db2.gz PRCCUEMCNLRWMH-UHFFFAOYSA-N 0 0 439.343 4.311 50 0 IIAARN COC(=O)[C@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 ZINC000096402518 556807506 /nfs/dbraw/zinc/80/75/06/556807506.db2.gz RZUBKDBULVLSRI-GBJNBNQZSA-N 0 0 444.516 4.040 50 0 IIAARN CCCN1C(=S)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202786 556810239 /nfs/dbraw/zinc/81/02/39/556810239.db2.gz KQRKJWJXESHHIP-QGZVFWFLSA-N 0 0 449.920 4.099 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003365107 556811963 /nfs/dbraw/zinc/81/19/63/556811963.db2.gz UVXKHWKMSNGVTM-KSEUIEODSA-N 0 0 431.435 4.047 50 0 IIAARN CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000003335377 556812415 /nfs/dbraw/zinc/81/24/15/556812415.db2.gz DSXMFUIXGFEAEB-UHFFFAOYSA-N 0 0 443.528 4.378 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000011209481 556814107 /nfs/dbraw/zinc/81/41/07/556814107.db2.gz FIBBBBGVWRFKOM-UHFFFAOYSA-N 0 0 438.553 4.132 50 0 IIAARN Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000003432354 556815486 /nfs/dbraw/zinc/81/54/86/556815486.db2.gz GVGPJZDUBQEBGF-UHFFFAOYSA-N 0 0 431.539 4.138 50 0 IIAARN Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c1Cl ZINC000003376224 556816351 /nfs/dbraw/zinc/81/63/51/556816351.db2.gz GNNMCYCICMNTLY-QPJJXVBHSA-N 0 0 431.222 4.493 50 0 IIAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003615378 556818049 /nfs/dbraw/zinc/81/80/49/556818049.db2.gz IPIUJUMBEKGLHT-UHFFFAOYSA-N 0 0 434.391 4.272 50 0 IIAARN CCCCCNC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063477 556818743 /nfs/dbraw/zinc/81/87/43/556818743.db2.gz MKWHHBYLLYTGEJ-GOSISDBHSA-N 0 0 441.475 4.028 50 0 IIAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3cccc(OC)c3[nH]2)cc1Cl ZINC000033064261 556819073 /nfs/dbraw/zinc/81/90/73/556819073.db2.gz KUYRLOWFMYVJIQ-UHFFFAOYSA-N 0 0 448.928 4.079 50 0 IIAARN CCc1ccc2[nH]c(CSc3nnc(COc4ccc(OC)cc4)n3C)cc(=O)c2c1 ZINC000033067740 556819593 /nfs/dbraw/zinc/81/95/93/556819593.db2.gz OYSUPDIPYMOVQV-UHFFFAOYSA-N 0 0 436.537 4.099 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000033067781 556819800 /nfs/dbraw/zinc/81/98/00/556819800.db2.gz WYEISVNCKJTPDY-UHFFFAOYSA-N 0 0 430.464 4.316 50 0 IIAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000206635704 556823075 /nfs/dbraw/zinc/82/30/75/556823075.db2.gz JUTAFUUVURKZKO-CQSZACIVSA-N 0 0 425.539 4.374 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064662091 556825963 /nfs/dbraw/zinc/82/59/63/556825963.db2.gz ZHIMRABCIFKCJO-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCc2cccnc2)c1 ZINC000064816927 556827584 /nfs/dbraw/zinc/82/75/84/556827584.db2.gz WMBUXGYDXPILQE-UHFFFAOYSA-N 0 0 433.537 4.168 50 0 IIAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000064893825 556828879 /nfs/dbraw/zinc/82/88/79/556828879.db2.gz CFXCKUVRKAGLMU-UHFFFAOYSA-N 0 0 443.429 4.281 50 0 IIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597027 556831001 /nfs/dbraw/zinc/83/10/01/556831001.db2.gz ZANCIPHJHVIELA-UHFFFAOYSA-N 0 0 426.969 4.436 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000065003249 556831479 /nfs/dbraw/zinc/83/14/79/556831479.db2.gz YVDQIAJCZSXLRL-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN C[C@H]1Cc2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2N1C(=O)c1ccccc1 ZINC000065003602 556831793 /nfs/dbraw/zinc/83/17/93/556831793.db2.gz UZJWSQCMTAQVHJ-AWEZNQCLSA-N 0 0 446.981 4.471 50 0 IIAARN Cc1cc2c(nc(SCC(=O)Nc3ccccc3F)n(Cc3cccnc3)c2=O)s1 ZINC000019631886 556832779 /nfs/dbraw/zinc/83/27/79/556832779.db2.gz OEDXZFTVCBLUQL-UHFFFAOYSA-N 0 0 440.525 4.080 50 0 IIAARN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]cn4)cc3n2)cc1 ZINC000019635657 556835118 /nfs/dbraw/zinc/83/51/18/556835118.db2.gz RJDKBYZLVFOVSE-UHFFFAOYSA-N 0 0 442.445 4.234 50 0 IIAARN COC(=O)c1ccsc1NC(=O)CSc1nnc(-c2csc3c2CCCC3)n1C ZINC000019647995 556841140 /nfs/dbraw/zinc/84/11/40/556841140.db2.gz BJPSXJSJHKEVHG-UHFFFAOYSA-N 0 0 448.595 4.001 50 0 IIAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc(Cl)cc1 ZINC000011212507 556842276 /nfs/dbraw/zinc/84/22/76/556842276.db2.gz GOTJFZTYGBAZPJ-AWEZNQCLSA-N 0 0 441.881 4.276 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nncn2-c2ccccc2F)C1=O ZINC000008710524 556842897 /nfs/dbraw/zinc/84/28/97/556842897.db2.gz OKCAZVDQOYUOQY-GOSISDBHSA-N 0 0 444.919 4.373 50 0 IIAARN O=C(Nc1ccccc1Br)N1CCN(C(=O)c2nsc3ccccc32)CC1 ZINC000033070594 556850965 /nfs/dbraw/zinc/85/09/65/556850965.db2.gz DFQISXZAAUUEOS-UHFFFAOYSA-N 0 0 445.342 4.049 50 0 IIAARN Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NC3CCCC3)CC2)c1NC(=O)C(C)C ZINC000033069381 556851227 /nfs/dbraw/zinc/85/12/27/556851227.db2.gz OKHQJCXXLWMFKH-UHFFFAOYSA-N 0 0 437.588 4.050 50 0 IIAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 ZINC000033071278 556851404 /nfs/dbraw/zinc/85/14/04/556851404.db2.gz MBAXTMRTIQAUEO-INIZCTEOSA-N 0 0 427.346 4.167 50 0 IIAARN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033078817 556853909 /nfs/dbraw/zinc/85/39/09/556853909.db2.gz UCWRLRORLLSGKD-UHFFFAOYSA-N 0 0 439.512 4.160 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087826 556855478 /nfs/dbraw/zinc/85/54/78/556855478.db2.gz LSNOTXBWURPUEO-UHFFFAOYSA-N 0 0 443.594 4.141 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3OC(C)C)CC2)cc1 ZINC000033088347 556856289 /nfs/dbraw/zinc/85/62/89/556856289.db2.gz YCDCBPVIAZGANH-UHFFFAOYSA-N 0 0 447.539 4.231 50 0 IIAARN CCSc1nc2n(n1)[C@H](c1ccccc1F)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000033085385 556856361 /nfs/dbraw/zinc/85/63/61/556856361.db2.gz GBLJKUPEUREHLB-LJQANCHMSA-N 0 0 439.516 4.465 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088608 556857966 /nfs/dbraw/zinc/85/79/66/556857966.db2.gz XJGXUOXBAMNAGN-UHFFFAOYSA-N 0 0 433.415 4.441 50 0 IIAARN COc1cc(OC)c(NC(=O)C2CCN(c3ccc(-n4cccc4)cn3)CC2)cc1Cl ZINC000033106171 556858572 /nfs/dbraw/zinc/85/85/72/556858572.db2.gz MKNDEQWBZFMLDA-UHFFFAOYSA-N 0 0 440.931 4.398 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000033106572 556859132 /nfs/dbraw/zinc/85/91/32/556859132.db2.gz YASSYERGTRSCIO-UHFFFAOYSA-N 0 0 441.535 4.447 50 0 IIAARN CCCc1cc(Sc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n2ncnc2n1 ZINC000033121974 556863061 /nfs/dbraw/zinc/86/30/61/556863061.db2.gz MROOEQMNYHMKEU-UHFFFAOYSA-N 0 0 433.493 4.209 50 0 IIAARN CCN(CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)c1cccc(C)c1 ZINC000004669567 556864586 /nfs/dbraw/zinc/86/45/86/556864586.db2.gz ICCKEPIIHCJCID-QFIPXVFZSA-N 0 0 427.976 4.172 50 0 IIAARN COc1cccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128151 556865084 /nfs/dbraw/zinc/86/50/84/556865084.db2.gz RZEWIHGOLDSHNP-AWEZNQCLSA-N 0 0 429.929 4.322 50 0 IIAARN O=C(NCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130039 556868103 /nfs/dbraw/zinc/86/81/03/556868103.db2.gz DTESUIXPVUCXOU-UHFFFAOYSA-N 0 0 434.561 4.458 50 0 IIAARN CCCCOc1ccc(CNC(=O)c2snc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000033129922 556869519 /nfs/dbraw/zinc/86/95/19/556869519.db2.gz KGCPJFQOIXZZCQ-UHFFFAOYSA-N 0 0 448.548 4.010 50 0 IIAARN CC(C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138305 556869769 /nfs/dbraw/zinc/86/97/69/556869769.db2.gz DRIRVEKWQMNKJT-UHFFFAOYSA-N 0 0 427.551 4.172 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000011227419 556876099 /nfs/dbraw/zinc/87/60/99/556876099.db2.gz YZWGVFAUAIMEMC-UHFFFAOYSA-N 0 0 442.472 4.067 50 0 IIAARN Cc1ncsc1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000071971315 556876777 /nfs/dbraw/zinc/87/67/77/556876777.db2.gz BRPDBWBGADWQQV-UHFFFAOYSA-N 0 0 427.551 4.213 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1 ZINC000033141963 556877361 /nfs/dbraw/zinc/87/73/61/556877361.db2.gz ZXYFXAUFYFBNOL-UHFFFAOYSA-N 0 0 446.507 4.301 50 0 IIAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 ZINC000015953579 556880341 /nfs/dbraw/zinc/88/03/41/556880341.db2.gz ISANWGVGUDGPST-GRYUFTJMSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033171004 556881733 /nfs/dbraw/zinc/88/17/33/556881733.db2.gz QHRRMMOBUJBLPF-AUWJEWJLSA-N 0 0 441.509 4.311 50 0 IIAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)Nc1cc(C)ccc1F ZINC000033171433 556882398 /nfs/dbraw/zinc/88/23/98/556882398.db2.gz BOKYKZWHKXUWOA-UHFFFAOYSA-N 0 0 440.500 4.270 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nccc5sccc54)CC3)CC2)c1 ZINC000033172029 556882887 /nfs/dbraw/zinc/88/28/87/556882887.db2.gz LPFYMTGCUZXDKC-UHFFFAOYSA-N 0 0 434.609 4.478 50 0 IIAARN COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1 ZINC000033173436 556883320 /nfs/dbraw/zinc/88/33/20/556883320.db2.gz YIZVRGVKRPSATO-UHFFFAOYSA-N 0 0 426.416 4.156 50 0 IIAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(C(F)(F)F)cc1 ZINC000033169871 556885062 /nfs/dbraw/zinc/88/50/62/556885062.db2.gz OWDKXCAKFAYNOR-GFCCVEGCSA-N 0 0 434.349 4.000 50 0 IIAARN COc1ccc(CCNC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)cc1OC ZINC000033169963 556885280 /nfs/dbraw/zinc/88/52/80/556885280.db2.gz FULPAYHLYUVDHW-UHFFFAOYSA-N 0 0 448.548 4.093 50 0 IIAARN COc1cc(NC(=O)c2csc(-c3ccc(C)o3)n2)c(C(=O)N2CCCC2)cc1OC ZINC000033177320 556886916 /nfs/dbraw/zinc/88/69/16/556886916.db2.gz NXISXSVSDDCNOR-UHFFFAOYSA-N 0 0 441.509 4.217 50 0 IIAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OCC ZINC000004717816 556888599 /nfs/dbraw/zinc/88/85/99/556888599.db2.gz RAULTZXKEFSVFO-OAQYLSRUSA-N 0 0 428.573 4.213 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)c1c(C(=O)N2CCCC2)cnc2ccc(C)cc21 ZINC000033249382 556889107 /nfs/dbraw/zinc/88/91/07/556889107.db2.gz AUJCRLVBUOEWEH-UHFFFAOYSA-N 0 0 444.940 4.274 50 0 IIAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)no1 ZINC000033254428 556890624 /nfs/dbraw/zinc/89/06/24/556890624.db2.gz XHFXRPBUAMEHOL-UHFFFAOYSA-N 0 0 442.878 4.328 50 0 IIAARN O=C(NCc1ccccc1)c1ccc2c(c1)nc(N1CCCCC1)n(-c1ccccc1)c2=O ZINC000033251265 556892136 /nfs/dbraw/zinc/89/21/36/556892136.db2.gz FLSVZRTVZBWWEK-UHFFFAOYSA-N 0 0 438.531 4.306 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000033252212 556892615 /nfs/dbraw/zinc/89/26/15/556892615.db2.gz MYQTWAPYZROUPU-UHFFFAOYSA-N 0 0 439.943 4.335 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000019799389 556916989 /nfs/dbraw/zinc/91/69/89/556916989.db2.gz OQAYNCOCSAIHFN-NRFANRHFSA-N 0 0 449.894 4.345 50 0 IIAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OCC ZINC000019807954 556918290 /nfs/dbraw/zinc/91/82/90/556918290.db2.gz XFFAAFNSIABXME-RCCKNPSSSA-N 0 0 435.549 4.252 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(N(C)C)cc3)nnc2-c2cccnc2)cc1 ZINC000019823517 556924939 /nfs/dbraw/zinc/92/49/39/556924939.db2.gz PFCFGARJVZPVGJ-UHFFFAOYSA-N 0 0 444.564 4.435 50 0 IIAARN CN(C)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000019834612 556927765 /nfs/dbraw/zinc/92/77/65/556927765.db2.gz QDUKGMPARKWDLS-UHFFFAOYSA-N 0 0 428.458 4.282 50 0 IIAARN Cc1ccc(-c2nc3s/c(=C/c4ccc(OCc5ccccc5)cc4)c(=O)n3n2)cc1 ZINC000019878954 556936522 /nfs/dbraw/zinc/93/65/22/556936522.db2.gz ITBKHQWVINTATD-PXLXIMEGSA-N 0 0 425.513 4.253 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccccn2)N2CCOCC2)cc1 ZINC000019880865 556937001 /nfs/dbraw/zinc/93/70/01/556937001.db2.gz PIYAYRPJOLNDTC-JOCHJYFZSA-N 0 0 437.565 4.442 50 0 IIAARN O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCN(Cc2cccs2)CC1 ZINC000019883940 556937869 /nfs/dbraw/zinc/93/78/69/556937869.db2.gz OFYRYBJZDWKBHJ-UHFFFAOYSA-N 0 0 448.548 4.211 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000019898543 556941085 /nfs/dbraw/zinc/94/10/85/556941085.db2.gz MRDWDKHWIVRQTH-OAQYLSRUSA-N 0 0 449.894 4.345 50 0 IIAARN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc21 ZINC000019899866 556941654 /nfs/dbraw/zinc/94/16/54/556941654.db2.gz OUCCDOMIEIZDKC-FQEVSTJZSA-N 0 0 432.955 4.365 50 0 IIAARN Cc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCCO4)c3=O)c1-c1cccc(Cl)c1 ZINC000019962572 556955877 /nfs/dbraw/zinc/95/58/77/556955877.db2.gz UAHXSXCIVMIBHV-UHFFFAOYSA-N 0 0 444.878 4.433 50 0 IIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000072442234 556973456 /nfs/dbraw/zinc/97/34/56/556973456.db2.gz CHPOLICQBOMYMA-UHFFFAOYSA-N 0 0 427.552 4.096 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1OC ZINC000020095545 556979550 /nfs/dbraw/zinc/97/95/50/556979550.db2.gz PDZKMMXJXZINGJ-INIZCTEOSA-N 0 0 433.508 4.006 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000020100655 556979941 /nfs/dbraw/zinc/97/99/41/556979941.db2.gz AUSZWECPNLOMDE-UHFFFAOYSA-N 0 0 436.961 4.005 50 0 IIAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020105897 556982404 /nfs/dbraw/zinc/98/24/04/556982404.db2.gz QXIKFOQCXRNIIA-HSZRJFAPSA-N 0 0 438.524 4.215 50 0 IIAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc12 ZINC000033268572 556985156 /nfs/dbraw/zinc/98/51/56/556985156.db2.gz XBZKGXHLSNTNMQ-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN CCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCc1ccncc1 ZINC000023043635 556986360 /nfs/dbraw/zinc/98/63/60/556986360.db2.gz GRDNJLIQUUOZNF-UHFFFAOYSA-N 0 0 436.508 4.049 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000097111204 556990117 /nfs/dbraw/zinc/99/01/17/556990117.db2.gz BSQKEXBPKROTCL-FGZHOGPDSA-N 0 0 426.532 4.280 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)N3CCN(c4nccs4)CC3)c2oc1-c1ccccc1 ZINC000010672634 556993480 /nfs/dbraw/zinc/99/34/80/556993480.db2.gz BGMHWZYHKMEWAI-UHFFFAOYSA-N 0 0 431.517 4.187 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CC(C)C)cc1 ZINC000020176637 556995174 /nfs/dbraw/zinc/99/51/74/556995174.db2.gz ZMZNKHWHBJVDIN-FQEVSTJZSA-N 0 0 427.476 4.046 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CCOc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138304 557021374 /nfs/dbraw/zinc/02/13/74/557021374.db2.gz XMEZNOGKIGHUHB-UHFFFAOYSA-N 0 0 429.929 4.296 50 0 IIAARN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2F)n1)NCCc1ccc(Cl)cc1 ZINC000023138449 557021548 /nfs/dbraw/zinc/02/15/48/557021548.db2.gz KNOUINGEWORXKI-UHFFFAOYSA-N 0 0 431.920 4.168 50 0 IIAARN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc21 ZINC000032943920 557022398 /nfs/dbraw/zinc/02/23/98/557022398.db2.gz YZJPBWIIAJUKBL-NSHDSACASA-N 0 0 441.372 4.097 50 0 IIAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000046022506 557022527 /nfs/dbraw/zinc/02/25/27/557022527.db2.gz KLXVPCDHNKEZDY-UHFFFAOYSA-N 0 0 427.551 4.363 50 0 IIAARN O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)Nc1ccc(Cl)cc1 ZINC000023140101 557022803 /nfs/dbraw/zinc/02/28/03/557022803.db2.gz HGBPEPJAGTYCAD-UHFFFAOYSA-N 0 0 446.001 4.249 50 0 IIAARN C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2S1 ZINC000032943999 557022820 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O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)Nc3ccccc3F)CC2)s1 ZINC000033273139 557051117 /nfs/dbraw/zinc/05/11/17/557051117.db2.gz PQZGLSPOXODXOL-UHFFFAOYSA-N 0 0 443.479 4.480 50 0 IIAARN CCc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)cc1 ZINC000033273635 557052231 /nfs/dbraw/zinc/05/22/31/557052231.db2.gz NKILGDOGMRNRTM-UHFFFAOYSA-N 0 0 446.551 4.240 50 0 IIAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000048253209 557052433 /nfs/dbraw/zinc/05/24/33/557052433.db2.gz SNYGDOZPRSQCJP-KRWDZBQOSA-N 0 0 441.553 4.450 50 0 IIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)C4CCCCC4)CC3)s2)cc1 ZINC000033272843 557053000 /nfs/dbraw/zinc/05/30/00/557053000.db2.gz VMXQQAOOIHYTCY-UHFFFAOYSA-N 0 0 428.558 4.085 50 0 IIAARN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccccc1CN1CCOCC1 ZINC000048288149 557053618 /nfs/dbraw/zinc/05/36/18/557053618.db2.gz HTPCJRVIEQKSEN-UHFFFAOYSA-N 0 0 436.487 4.167 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)c1 ZINC000033275263 557054025 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Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)C2)cc1 ZINC000024915810 557178638 /nfs/dbraw/zinc/17/86/38/557178638.db2.gz KPYZZXRZYLGJQW-HXUWFJFHSA-N 0 0 428.536 4.160 50 0 IIAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000024923475 557179180 /nfs/dbraw/zinc/17/91/80/557179180.db2.gz FHEGHHULADZCCT-NRFANRHFSA-N 0 0 430.552 4.130 50 0 IIAARN CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000000783643 557180530 /nfs/dbraw/zinc/18/05/30/557180530.db2.gz SCRVXVAHWFTTCB-UHFFFAOYSA-N 0 0 448.523 4.322 50 0 IIAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024928528 557180885 /nfs/dbraw/zinc/18/08/85/557180885.db2.gz QDABDBBLYVOCKQ-UHFFFAOYSA-N 0 0 432.377 4.175 50 0 IIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1nnc(C2CC2)s1 ZINC000009265235 557183212 /nfs/dbraw/zinc/18/32/12/557183212.db2.gz HYNQCHPJDYGHBV-UHFFFAOYSA-N 0 0 448.577 4.318 50 0 IIAARN CCCNC(=O)NC1CCC(Nc2nc(CC)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000096210860 557183237 /nfs/dbraw/zinc/18/32/37/557183237.db2.gz ZWGFGXNPSYUXJB-UHFFFAOYSA-N 0 0 449.603 4.427 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1 ZINC000000784740 557184924 /nfs/dbraw/zinc/18/49/24/557184924.db2.gz PWZIXUNKILABAG-IERDGZPVSA-N 0 0 425.529 4.125 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2C)ccc1Br ZINC000009306023 557186019 /nfs/dbraw/zinc/18/60/19/557186019.db2.gz ZMLGMOUSVFBUQI-UHFFFAOYSA-N 0 0 447.358 4.196 50 0 IIAARN COC(=O)c1occc1CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000025025255 557189760 /nfs/dbraw/zinc/18/97/60/557189760.db2.gz RHKHIMCIGYREDH-UHFFFAOYSA-N 0 0 430.869 4.363 50 0 IIAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000009541124 557190456 /nfs/dbraw/zinc/19/04/56/557190456.db2.gz XMQVBAONGKWXKU-QGZVFWFLSA-N 0 0 443.617 4.026 50 0 IIAARN COCCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)nnc1-c1ccncc1 ZINC000025055937 557192006 /nfs/dbraw/zinc/19/20/06/557192006.db2.gz YSWXGYRDYDTAHE-KRWDZBQOSA-N 0 0 447.564 4.109 50 0 IIAARN Cn1cnnc1SCc1ccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)o1 ZINC000025056617 557192499 /nfs/dbraw/zinc/19/24/99/557192499.db2.gz OEJSQCXZWWQRNZ-UHFFFAOYSA-N 0 0 432.549 4.436 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)c2c[nH]c3ccccc32)cc1 ZINC000025060086 557193193 /nfs/dbraw/zinc/19/31/93/557193193.db2.gz JLPQKPGIJUNOFD-FQEVSTJZSA-N 0 0 441.487 4.069 50 0 IIAARN Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061616 557193259 /nfs/dbraw/zinc/19/32/59/557193259.db2.gz RLBNACSXFYOTNI-INIZCTEOSA-N 0 0 430.346 4.047 50 0 IIAARN COCCn1c2ccc(F)cc2s/c1=N\C(=O)COc1ccc(Cl)cc1Cl ZINC000100872638 557194472 /nfs/dbraw/zinc/19/44/72/557194472.db2.gz UNDHBXBZVCSANE-PYCFMQQDSA-N 0 0 429.300 4.301 50 0 IIAARN COc1ccc(-n2cnc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 ZINC000000789734 557194751 /nfs/dbraw/zinc/19/47/51/557194751.db2.gz WSIWSJYNOKADMC-UHFFFAOYSA-N 0 0 433.464 4.312 50 0 IIAARN CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cc(C)ccc1C ZINC000025107875 557195479 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4.400 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3cccc(OC)c3)N2[C@H]1c1ccccc1 ZINC000100940479 557203148 /nfs/dbraw/zinc/20/31/48/557203148.db2.gz JECIKPHICJVRCY-QFIPXVFZSA-N 0 0 449.532 4.472 50 0 IIAARN Cc1ccccc1Nc1oc2c(c1-c1cccc(Br)c1)c(=O)n(C)c(=O)n2C ZINC000011614578 557209511 /nfs/dbraw/zinc/20/95/11/557209511.db2.gz RSIWYZFKOOXXDM-UHFFFAOYSA-N 0 0 440.297 4.312 50 0 IIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000025469144 557211788 /nfs/dbraw/zinc/21/17/88/557211788.db2.gz MLYCCZFGPVODGR-KRWDZBQOSA-N 0 0 436.533 4.176 50 0 IIAARN CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000060214688 557213456 /nfs/dbraw/zinc/21/34/56/557213456.db2.gz KALSUBMYGZSDSW-JOCHJYFZSA-N 0 0 444.531 4.371 50 0 IIAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000025591691 557218095 /nfs/dbraw/zinc/21/80/95/557218095.db2.gz JHGCYXROIWRWIQ-CVEARBPZSA-N 0 0 426.460 4.338 50 0 IIAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000010992568 557218720 /nfs/dbraw/zinc/21/87/20/557218720.db2.gz AUGYVNNVANRYOC-UHFFFAOYSA-N 0 0 427.460 4.332 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCOc1ccc2ccccc2c1 ZINC000010993044 557219088 /nfs/dbraw/zinc/21/90/88/557219088.db2.gz RJLYEBUCMFFNGK-UHFFFAOYSA-N 0 0 447.560 4.144 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1C ZINC000011645186 557219195 /nfs/dbraw/zinc/21/91/95/557219195.db2.gz UWFQGOAPXQILHZ-MRXNPFEDSA-N 0 0 438.480 4.129 50 0 IIAARN Cc1sc(-n2cccc2)c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000025640106 557220231 /nfs/dbraw/zinc/22/02/31/557220231.db2.gz BBAHFPWBFRDUGZ-HXUWFJFHSA-N 0 0 427.545 4.098 50 0 IIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000025783934 557226518 /nfs/dbraw/zinc/22/65/18/557226518.db2.gz KKZSZBBAUXEDID-YADHBBJMSA-N 0 0 442.500 4.339 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000011612634 557229995 /nfs/dbraw/zinc/22/99/95/557229995.db2.gz SNZFEHFYNXDFIR-QGZVFWFLSA-N 0 0 426.460 4.277 50 0 IIAARN C[C@H]1CCc2c(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)csc2C1 ZINC000025919300 557230400 /nfs/dbraw/zinc/23/04/00/557230400.db2.gz LARSLXDITCYDPL-HNNXBMFYSA-N 0 0 425.550 4.379 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000011613296 557230577 /nfs/dbraw/zinc/23/05/77/557230577.db2.gz GGOJDDGUIWYPRD-UHFFFAOYSA-N 0 0 428.514 4.125 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)c(OC)c1 ZINC000025933559 557230530 /nfs/dbraw/zinc/23/05/30/557230530.db2.gz OZPWIDYYBMBHBI-IERDGZPVSA-N 0 0 440.565 4.142 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089660 557233938 /nfs/dbraw/zinc/23/39/38/557233938.db2.gz HYGJQOLCOYHFCA-UHFFFAOYSA-N 0 0 437.546 4.495 50 0 IIAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccccc3Cl)n2)cc1OC ZINC000098212295 557235408 /nfs/dbraw/zinc/23/54/08/557235408.db2.gz KJTFCCGNIHRFAE-KRWDZBQOSA-N 0 0 427.888 4.313 50 0 IIAARN O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000098212626 557235664 /nfs/dbraw/zinc/23/56/64/557235664.db2.gz XYZKOOUFEZWJCU-UHFFFAOYSA-N 0 0 430.430 4.374 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000018094835 557236631 /nfs/dbraw/zinc/23/66/31/557236631.db2.gz PUDAWNXQIBVRMW-AWEZNQCLSA-N 0 0 434.945 4.079 50 0 IIAARN C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333682 557239325 /nfs/dbraw/zinc/23/93/25/557239325.db2.gz JPRXCAPCSAKFIE-CYBMUJFWSA-N 0 0 431.323 4.439 50 0 IIAARN C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)c1nnc(-c2cccs2)o1 ZINC000026434475 557240983 /nfs/dbraw/zinc/24/09/83/557240983.db2.gz HWWBYDSWJTWNOL-BXUZGUMPSA-N 0 0 427.511 4.292 50 0 IIAARN O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000100118627 557241400 /nfs/dbraw/zinc/24/14/00/557241400.db2.gz OMYOHAAJDKNABE-XMMPIXPASA-N 0 0 445.494 4.072 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000018130329 557241830 /nfs/dbraw/zinc/24/18/30/557241830.db2.gz MYCSDMQSSHIWLC-WSTZPKSXSA-N 0 0 440.286 4.440 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000018132396 557242451 /nfs/dbraw/zinc/24/24/51/557242451.db2.gz ROHBOTQSZDFPLH-UHFFFAOYSA-N 0 0 436.581 4.061 50 0 IIAARN O=C(CN1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1)Nc1ccccc1Cl ZINC000018148426 557243191 /nfs/dbraw/zinc/24/31/91/557243191.db2.gz VSYUPWNKOPTFHA-UHFFFAOYSA-N 0 0 448.954 4.480 50 0 IIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000018148900 557243448 /nfs/dbraw/zinc/24/34/48/557243448.db2.gz KPOHWOBMJRTYMM-UHFFFAOYSA-N 0 0 448.954 4.107 50 0 IIAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018157272 557244624 /nfs/dbraw/zinc/24/46/24/557244624.db2.gz ORVBTYVCWVGAEA-UHFFFAOYSA-N 0 0 449.514 4.025 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4ccc(C)cc4)cn32)c1 ZINC000032951566 557245814 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CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1 ZINC000102917244 557412338 /nfs/dbraw/zinc/41/23/38/557412338.db2.gz IELVMZKIPVGBLP-NRFANRHFSA-N 0 0 437.521 4.124 50 0 IIAARN Cc1nc(C)c(-c2csc(NC(=O)C(=O)N(Cc3ccccc3)CC(F)F)n2)s1 ZINC000408518914 557412686 /nfs/dbraw/zinc/41/26/86/557412686.db2.gz JTTYBTDBAYYXCB-UHFFFAOYSA-N 0 0 436.509 4.116 50 0 IIAARN Cn1cc(-c2csc(CC(=O)NCc3ccco3)n2)cc1C(=O)C(Cl)(Cl)Cl ZINC000408519086 557412716 /nfs/dbraw/zinc/41/27/16/557412716.db2.gz YDQNBQAIHCOUBN-UHFFFAOYSA-N 0 0 446.743 4.153 50 0 IIAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C(C)C ZINC000033621696 557424127 /nfs/dbraw/zinc/42/41/27/557424127.db2.gz RFNOGUSTJCBUIF-UHFFFAOYSA-N 0 0 430.570 4.209 50 0 IIAARN C[C@@H](C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000103464337 557437661 /nfs/dbraw/zinc/43/76/61/557437661.db2.gz GQSKMJSXUPIXRR-JCGIZDLHSA-N 0 0 447.516 4.367 50 0 IIAARN CCCSc1nc2sc3c(c2c(-n2ncc(C(=O)OCC)c2N)n1)C[C@@H](C)CC3 ZINC000024546256 557442159 /nfs/dbraw/zinc/44/21/59/557442159.db2.gz QWCQPKFSENEYKZ-NSHDSACASA-N 0 0 431.587 4.263 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000104861265 557462412 /nfs/dbraw/zinc/46/24/12/557462412.db2.gz XHDSNPMDDQEKSN-JTSKRJEESA-N 0 0 430.545 4.366 50 0 IIAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000051316142 557464007 /nfs/dbraw/zinc/46/40/07/557464007.db2.gz LKJQZHXVXURGND-UHFFFAOYSA-N 0 0 445.544 4.130 50 0 IIAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(-c2cc(C)cc(C)c2)c1=O)c1cccc(C)c1 ZINC000051316086 557464072 /nfs/dbraw/zinc/46/40/72/557464072.db2.gz NBOKDAWYVBRHOF-UHFFFAOYSA-N 0 0 441.531 4.131 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc(C)cc1 ZINC000105009050 557472004 /nfs/dbraw/zinc/47/20/04/557472004.db2.gz JHAPYZYQEIEKPF-JWQCQUIFSA-N 0 0 447.579 4.399 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cc1csc3nc(-c4ccccc4)cn13)CC2 ZINC000105364521 557496072 /nfs/dbraw/zinc/49/60/72/557496072.db2.gz 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CC(=O)NCc1ccc(-c2csc(NC(=O)CCC(=O)c3ccc(Cl)s3)n2)o1 ZINC000012054266 557525699 /nfs/dbraw/zinc/52/56/99/557525699.db2.gz DYYKOFQMKWPMFA-UHFFFAOYSA-N 0 0 437.930 4.356 50 0 IIAARN COc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1N1CCCC1=O ZINC000012076772 557527251 /nfs/dbraw/zinc/52/72/51/557527251.db2.gz NMQAYSZRBMRMGO-UHFFFAOYSA-N 0 0 425.485 4.421 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c(C)c1 ZINC000106465855 557529619 /nfs/dbraw/zinc/52/96/19/557529619.db2.gz VWKUODNEDFVZNT-AMGIVPHBSA-N 0 0 447.623 4.339 50 0 IIAARN COc1ccccc1C1(CNC(=O)CCc2ccccc2Br)CCOCC1 ZINC000211092742 557533904 /nfs/dbraw/zinc/53/39/04/557533904.db2.gz ONRCHIJUHJPLPU-UHFFFAOYSA-N 0 0 432.358 4.255 50 0 IIAARN O=C1O[C@@]2(CCCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)c2ccccc21 ZINC000211113898 557534057 /nfs/dbraw/zinc/53/40/57/557534057.db2.gz BNWWASXMUKYGJM-GOSISDBHSA-N 0 0 445.846 4.209 50 0 IIAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000044903836 557540414 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0 IIAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)Nc2ccccc2F)c2ccccc21 ZINC000008609301 562957718 /nfs/dbraw/zinc/95/77/18/562957718.db2.gz OVDUCXTVHFAZDH-UHFFFAOYSA-N 0 0 445.498 4.337 50 0 IIAARN COc1cc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC ZINC000008609428 562957863 /nfs/dbraw/zinc/95/78/63/562957863.db2.gz FQASSEPFUAPMIG-UHFFFAOYSA-N 0 0 432.929 4.462 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)c1 ZINC000008610990 562958293 /nfs/dbraw/zinc/95/82/93/562958293.db2.gz QUGQIEFLNCROEW-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN CCOc1ccc(CCNC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)cc1 ZINC000008611133 562958416 /nfs/dbraw/zinc/95/84/16/562958416.db2.gz GIMUYJDPKRNEKY-UHFFFAOYSA-N 0 0 445.567 4.201 50 0 IIAARN CC(C)c1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611884 562958731 /nfs/dbraw/zinc/95/87/31/562958731.db2.gz GCLMHXLZYBALOM-OAQYLSRUSA-N 0 0 443.540 4.454 50 0 IIAARN Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2cc(F)cc(F)c2)c1 ZINC000008614137 562959545 /nfs/dbraw/zinc/95/95/45/562959545.db2.gz VYWKQSURGTTXDV-QGZVFWFLSA-N 0 0 427.476 4.133 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1nc(SCC)ncc1Cl ZINC000008614299 562959640 /nfs/dbraw/zinc/95/96/40/562959640.db2.gz JAYJRRPXSYAMRQ-UHFFFAOYSA-N 0 0 427.935 4.244 50 0 IIAARN CCOc1ccc(CCNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1OCC ZINC000008619050 562959820 /nfs/dbraw/zinc/95/98/20/562959820.db2.gz RPARDGBVJYZDMV-JOCHJYFZSA-N 0 0 438.568 4.213 50 0 IIAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccccc1 ZINC000008642517 562960141 /nfs/dbraw/zinc/96/01/41/562960141.db2.gz RNXGKDMTHSZFKJ-NRFANRHFSA-N 0 0 449.532 4.393 50 0 IIAARN Cc1csc2nc(COc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc(=O)n12 ZINC000008654519 562960197 /nfs/dbraw/zinc/96/01/97/562960197.db2.gz LGFBNVRFDCSQFM-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN CCN1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000008654544 562960236 /nfs/dbraw/zinc/96/02/36/562960236.db2.gz JWKFQTYWZFENDT-NRFANRHFSA-N 0 0 425.488 4.087 50 0 IIAARN Cc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)o1 ZINC000008670706 562960720 /nfs/dbraw/zinc/96/07/20/562960720.db2.gz NJILSSIPHIVAFQ-UHFFFAOYSA-N 0 0 426.476 4.017 50 0 aggregator IIAARN O=C(NC[C@H]1CCC[C@H](CNC(=O)N2CCc3ccccc32)C1)N1CCc2ccccc21 ZINC000008670731 562960722 /nfs/dbraw/zinc/96/07/22/562960722.db2.gz ADQOQDWLPPQSFQ-PMACEKPBSA-N 0 0 432.568 4.337 50 0 aggregator IIAARN O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000008673951 562961378 /nfs/dbraw/zinc/96/13/78/562961378.db2.gz MLHGMMSBCZSQFJ-UHFFFAOYSA-N 0 0 427.551 4.028 50 0 IIAARN Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)c1 ZINC000008684588 562962274 /nfs/dbraw/zinc/96/22/74/562962274.db2.gz DNZXFXHFWALAKO-UHFFFAOYSA-N 0 0 438.578 4.479 50 0 aggregator IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(F)cc1 ZINC000009539920 562973123 /nfs/dbraw/zinc/97/31/23/562973123.db2.gz VYWVWBYNRSAPKE-KRWDZBQOSA-N 0 0 447.557 4.112 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccs3)c2)cc1 ZINC000009588832 562973674 /nfs/dbraw/zinc/97/36/74/562973674.db2.gz HROHKAUJPZZMRI-UHFFFAOYSA-N 0 0 444.578 4.210 50 0 IIAARN CCN(C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1CCCCC1 ZINC000009684077 562975470 /nfs/dbraw/zinc/97/54/70/562975470.db2.gz CJURRKDEXAGGOB-HHHXNRCGSA-N 0 0 447.579 4.280 50 0 IIAARN O=C(COC(=O)c1ccc(O)cc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000013141256 562985245 /nfs/dbraw/zinc/98/52/45/562985245.db2.gz YIVMZUHSSDHPPI-UHFFFAOYSA-N 0 0 435.501 4.359 50 0 IIAARN Brc1cccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)c1 ZINC000015866459 563018159 /nfs/dbraw/zinc/01/81/59/563018159.db2.gz JHRYBPMSBXHLJL-LSDHHAIUSA-N 0 0 435.123 4.344 50 0 in-vitro IIAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000015781425 563018124 /nfs/dbraw/zinc/01/81/24/563018124.db2.gz YTNXUIMPOGQMSF-UHFFFAOYSA-N 0 0 436.599 4.103 50 0 IIAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC2=NCCS2)c1OC ZINC000016960763 563021207 /nfs/dbraw/zinc/02/12/07/563021207.db2.gz OXQCIHMDBLHNIU-OAHLLOKOSA-N 0 0 447.607 4.279 50 0 IIAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccco3)n2)cc1Br ZINC000017015350 563021291 /nfs/dbraw/zinc/02/12/91/563021291.db2.gz YLYBBDSGUHGQBN-UHFFFAOYSA-N 0 0 438.328 4.301 50 0 IIAARN CN1C[C@H](c2ccccc2Cl)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036382168 563093839 /nfs/dbraw/zinc/09/38/39/563093839.db2.gz OXKPSTZIEWTELD-PBXQCXKZSA-N 0 0 444.918 4.478 50 0 IIAARN O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 ZINC000058136006 563143392 /nfs/dbraw/zinc/14/33/92/563143392.db2.gz GTTTWLWTAGZCEL-QHCPKHFHSA-N 0 0 438.934 4.167 50 0 IIAARN Cc1ccc(Sc2ccc(NC(=O)CN3CCN(C[C@@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000022928471 568612891 /nfs/dbraw/zinc/61/28/91/568612891.db2.gz CMTQAVCUAOMJCY-QFIPXVFZSA-N 0 0 439.625 4.190 50 0 IIAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1cccs1 ZINC000019939311 568613127 /nfs/dbraw/zinc/61/31/27/568613127.db2.gz BWXMZKHRQHIDCZ-NRFANRHFSA-N 0 0 443.450 4.226 50 0 IIAARN COc1cc2nc(/C=C\c3ccccc3)nc(NCCCN3CCCC3=O)c2cc1OC ZINC000210975420 568635134 /nfs/dbraw/zinc/63/51/34/568635134.db2.gz HCTXVNJHESQNEC-QXMHVHEDSA-N 0 0 432.524 4.242 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 ZINC000000925328 568637695 /nfs/dbraw/zinc/63/76/95/568637695.db2.gz XARQOQYHVCRNAC-UHFFFAOYSA-N 0 0 433.946 4.349 50 0 IIAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)c5cccs5)CC4)nn32)cc1 ZINC000025141871 568639146 /nfs/dbraw/zinc/63/91/46/568639146.db2.gz UIKIDFJMCDJZDI-UHFFFAOYSA-N 0 0 446.580 4.113 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000025159556 568645528 /nfs/dbraw/zinc/64/55/28/568645528.db2.gz WQBHWCZZXCSYKW-LJQANCHMSA-N 0 0 436.313 4.092 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@H](C)C(=O)OCC(C)C)c(=O)c12 ZINC000000958431 568646182 /nfs/dbraw/zinc/64/61/82/568646182.db2.gz JMHQGFDTQOEMCS-MRXNPFEDSA-N 0 0 441.553 4.396 50 0 IIAARN CCOC(=O)c1c(NC(=O)COC(=O)CCc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000000954966 568647349 /nfs/dbraw/zinc/64/73/49/568647349.db2.gz UYWDMQHEWHHWPC-OAHLLOKOSA-N 0 0 429.538 4.164 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000978903 568648503 /nfs/dbraw/zinc/64/85/03/568648503.db2.gz PZTDNSOLWALBFK-QFIPXVFZSA-N 0 0 442.968 4.485 50 0 IIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Cl)ccc1OC(F)F ZINC000025329549 568652683 /nfs/dbraw/zinc/65/26/83/568652683.db2.gz KOZTWWYZERYULM-UHFFFAOYSA-N 0 0 429.847 4.302 50 0 IIAARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)CCCCCC1 ZINC000025311775 568652970 /nfs/dbraw/zinc/65/29/70/568652970.db2.gz AFBTWMDKHRJHER-UHFFFAOYSA-N 0 0 444.576 4.318 50 0 IIAARN COc1cc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000001098797 568658785 /nfs/dbraw/zinc/65/87/85/568658785.db2.gz IIZLRSXXKFJGLX-QHCPKHFHSA-N 0 0 440.521 4.028 50 0 IIAARN Cc1cn(Cc2ccc(Cl)cc2)c(=O)n(Cc2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000263639799 568737414 /nfs/dbraw/zinc/73/74/14/568737414.db2.gz JDMHENYTHSFLOV-UHFFFAOYSA-N 0 0 444.240 4.136 50 0 IIAARN CC(C)N(C(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)c1ccccc1 ZINC000006015139 568740080 /nfs/dbraw/zinc/74/00/80/568740080.db2.gz SGWSSWCYOJJADE-UHFFFAOYSA-N 0 0 430.508 4.043 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000003210153 568742967 /nfs/dbraw/zinc/74/29/67/568742967.db2.gz FWNOEJJARPUCGW-UHFFFAOYSA-N 0 0 427.960 4.028 50 0 IIAARN COc1ccccc1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003241011 568743478 /nfs/dbraw/zinc/74/34/78/568743478.db2.gz RUTQNIAACWIGHA-UHFFFAOYSA-N 0 0 433.489 4.405 50 0 IIAARN COc1cccc2cc(C(=O)NCC3CCN(C(=O)Nc4ccc(F)cc4)CC3)oc21 ZINC000044005723 568745625 /nfs/dbraw/zinc/74/56/25/568745625.db2.gz DKHKJMIJWJHELG-UHFFFAOYSA-N 0 0 425.460 4.254 50 0 IIAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)NCCC1=CCCCC1 ZINC000003360934 568747146 /nfs/dbraw/zinc/74/71/46/568747146.db2.gz BVNRYZYILYQSRC-UHFFFAOYSA-N 0 0 430.508 4.098 50 0 IIAARN O=C1OCC[C@H]1Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 ZINC000003365086 568747418 /nfs/dbraw/zinc/74/74/18/568747418.db2.gz VIIXEBGEAOFXGW-QGZVFWFLSA-N 0 0 444.354 4.358 50 0 IIAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2csc(-c3ccccc3)n2)c1 ZINC000003369606 568748182 /nfs/dbraw/zinc/74/81/82/568748182.db2.gz FMLKTZKKNQOYOL-UHFFFAOYSA-N 0 0 437.550 4.238 50 0 IIAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000003374048 568748305 /nfs/dbraw/zinc/74/83/05/568748305.db2.gz BCCIDNSGOQSQLT-UHFFFAOYSA-N 0 0 434.521 4.004 50 0 IIAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000003398821 568748455 /nfs/dbraw/zinc/74/84/55/568748455.db2.gz OXZODARVBHNXDO-UHFFFAOYSA-N 0 0 436.537 4.174 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044226654 568749969 /nfs/dbraw/zinc/74/99/69/568749969.db2.gz QXEPAIBXGFCSHS-UHFFFAOYSA-N 0 0 430.917 4.251 50 0 IIAARN Cc1ccc(O)c(-c2cc(C(=O)N=c3[nH]c4ccc(S(C)(=O)=O)cc4s3)n[nH]2)c1 ZINC000334158145 568750828 /nfs/dbraw/zinc/75/08/28/568750828.db2.gz TUEPIRKMQRHYPO-OBGWFSINSA-N 0 0 428.495 4.360 50 0 IIAARN Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1NC(=O)c1ccco1 ZINC000012616036 568755010 /nfs/dbraw/zinc/75/50/10/568755010.db2.gz CKRKNZBEULQZDA-UHFFFAOYSA-N 0 0 437.540 4.095 50 0 IIAARN COc1ccc(-c2ccc(C(=O)[O-])c(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000299768077 568756461 /nfs/dbraw/zinc/75/64/61/568756461.db2.gz FSYFCCHJXRMWQU-UHFFFAOYSA-N 0 0 443.547 4.483 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000299777423 568757024 /nfs/dbraw/zinc/75/70/24/568757024.db2.gz DNPAPCDGSXFBRT-ZJSXRUAMSA-N 0 0 425.960 4.460 50 0 IIAARN Cc1c(C(=O)NCCc2cccs2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299798550 568757843 /nfs/dbraw/zinc/75/78/43/568757843.db2.gz SIAZRJSXKUUFML-UHFFFAOYSA-N 0 0 429.549 4.160 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000015317987 568758154 /nfs/dbraw/zinc/75/81/54/568758154.db2.gz CPPAMLHAMYUDES-UHFFFAOYSA-N 0 0 448.585 4.041 50 0 IIAARN CC(=O)O[C@@]1(O)[C@H](Br)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004025352 568758732 /nfs/dbraw/zinc/75/87/32/568758732.db2.gz MKWMKOFYJNDRLI-OHFNBNKZSA-N 0 0 425.363 4.143 50 0 biogenic IIAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000001231794 568759130 /nfs/dbraw/zinc/75/91/30/568759130.db2.gz KWTVZVHIEDZXNN-QDBPJBAASA-N 0 0 437.495 4.225 50 0 IIAARN COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccco3)CC(=O)O4)c2=O)cc1OC ZINC000263585465 568759133 /nfs/dbraw/zinc/75/91/33/568759133.db2.gz JAJNYFCBUPKERN-ZDUSSCGKSA-N 0 0 434.400 4.217 50 0 biogenic IIAARN COC(=O)c1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263586404 568759465 /nfs/dbraw/zinc/75/94/65/568759465.db2.gz UCQQJLMEHBZDKE-JOCHJYFZSA-N 0 0 443.503 4.209 50 0 biogenic IIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000263587014 568760232 /nfs/dbraw/zinc/76/02/32/568760232.db2.gz BBWZFMARYQAOSG-HXUWFJFHSA-N 0 0 429.567 4.098 50 0 IIAARN Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C ZINC000263587175 568760432 /nfs/dbraw/zinc/76/04/32/568760432.db2.gz CZQFOTIRLNKONM-QFIPXVFZSA-N 0 0 436.556 4.012 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 ZINC000263587306 568760629 /nfs/dbraw/zinc/76/06/29/568760629.db2.gz FIOWCHQAWRRAOQ-UNMCSNQZSA-N 0 0 447.539 4.015 50 0 IIAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)nc2)c2ccccc21 ZINC000263588147 568761002 /nfs/dbraw/zinc/76/10/02/568761002.db2.gz PRHDTBUGOFJEGJ-KRWDZBQOSA-N 0 0 428.920 4.301 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390986 568761341 /nfs/dbraw/zinc/76/13/41/568761341.db2.gz OUWUHOVWYWSCIJ-GOSISDBHSA-N 0 0 436.961 4.311 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263616182 568776559 /nfs/dbraw/zinc/77/65/59/568776559.db2.gz HMXKWVABMGEBLX-KRWDZBQOSA-N 0 0 431.265 4.012 50 0 IIAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)ccc1OC ZINC000263617834 568777520 /nfs/dbraw/zinc/77/75/20/568777520.db2.gz PYRBXFMRMIAFQI-NRFANRHFSA-N 0 0 436.443 4.418 50 0 IIAARN CC(C)(C)c1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 ZINC000263618188 568778205 /nfs/dbraw/zinc/77/82/05/568778205.db2.gz RSELQSGRFPQDGU-UHFFFAOYSA-N 0 0 434.525 4.010 50 0 IIAARN O=C(c1ccccc1)N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000263618231 568778230 /nfs/dbraw/zinc/77/82/30/568778230.db2.gz RVRQJZOIPMVHIU-NRFANRHFSA-N 0 0 448.498 4.092 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c32)C1 ZINC000001321018 568780008 /nfs/dbraw/zinc/78/00/08/568780008.db2.gz NKZDAPASSSSLIY-GFCCVEGCSA-N 0 0 430.961 4.296 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccccc4Cl)c(=O)c32)C1 ZINC000001321027 568780076 /nfs/dbraw/zinc/78/00/76/568780076.db2.gz MGSHEEHCGBSOSH-LBPRGKRZSA-N 0 0 430.961 4.296 50 0 IIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccco3)nn1-c1ccccc1F)C2 ZINC000032103196 568780853 /nfs/dbraw/zinc/78/08/53/568780853.db2.gz PGBYKBIFHYTYKZ-UHFFFAOYSA-N 0 0 433.439 4.123 50 0 IIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000032111897 568781274 /nfs/dbraw/zinc/78/12/74/568781274.db2.gz REXMRZACTPPULD-UHFFFAOYSA-N 0 0 436.942 4.250 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2cccc(I)c2)C2CC2)c1 ZINC000025804159 568781678 /nfs/dbraw/zinc/78/16/78/568781678.db2.gz LUQIWKZEAPZVOT-UHFFFAOYSA-N 0 0 437.277 4.113 50 0 IIAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccc(C)cc5)no4)n3n2)cc1 ZINC000045972091 568783763 /nfs/dbraw/zinc/78/37/63/568783763.db2.gz KLWWDNDQSDRGFB-UHFFFAOYSA-N 0 0 444.520 4.298 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]1Cc3c(cnn3-c3cccc(C(F)(F)F)c3)C(=O)N1CC2 ZINC000001390417 568785147 /nfs/dbraw/zinc/78/51/47/568785147.db2.gz UZJAENOYZMOTIK-SFHVURJKSA-N 0 0 443.425 4.204 50 0 IIAARN CCOc1ccc(-c2csc(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000001415046 568790604 /nfs/dbraw/zinc/79/06/04/568790604.db2.gz RFDWLZKZZJOXBC-UHFFFAOYSA-N 0 0 442.537 4.207 50 0 IIAARN Cc1cc2nc(C)c(CCC(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)c(C)n2n1 ZINC000025910767 568792744 /nfs/dbraw/zinc/79/27/44/568792744.db2.gz GECHLYJSBXAWPY-UHFFFAOYSA-N 0 0 449.536 4.121 50 0 IIAARN COc1ccc(F)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21 ZINC000001424305 568793566 /nfs/dbraw/zinc/79/35/66/568793566.db2.gz QDTPOHPACPUIEJ-UHFFFAOYSA-N 0 0 446.422 4.044 50 0 IIAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001426359 568793952 /nfs/dbraw/zinc/79/39/52/568793952.db2.gz WNZPEYYQWOLOGI-OLJONYEBSA-N 0 0 442.902 4.051 50 0 IIAARN COc1ccccc1C(=O)NC(=O)Nc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000001428773 568794119 /nfs/dbraw/zinc/79/41/19/568794119.db2.gz VNSJCEMYKKKQKI-UHFFFAOYSA-N 0 0 434.349 4.272 50 0 IIAARN COC(=O)c1ccc(C)c(N(Cc2[nH]cnc2C)C(=O)CSc2ccc(OC)cc2)c1 ZINC000084185486 568795818 /nfs/dbraw/zinc/79/58/18/568795818.db2.gz PAPGQEANWUXDAV-UHFFFAOYSA-N 0 0 439.537 4.147 50 0 IIAARN CC(=O)NC1(c2noc(C3(S(=O)(=O)c4ccc(C)c(C)c4)CCCC3)n2)CCCCC1 ZINC000084180798 568795849 /nfs/dbraw/zinc/79/58/49/568795849.db2.gz PPHKKHGIBBAXMA-UHFFFAOYSA-N 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PVJWQUVEOLMZSJ-RUZDIDTESA-N 0 0 434.540 4.273 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015681509 568806738 /nfs/dbraw/zinc/80/67/38/568806738.db2.gz SAGXWLCXFBODOK-UHFFFAOYSA-N 0 0 443.526 4.381 50 0 IIAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032510854 568812107 /nfs/dbraw/zinc/81/21/07/568812107.db2.gz YMHMXIOZHQMIJK-UHFFFAOYSA-N 0 0 433.339 4.160 50 0 IIAARN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(C)c1 ZINC000015728102 568812891 /nfs/dbraw/zinc/81/28/91/568812891.db2.gz KACZZLOFELDYNX-SFHVURJKSA-N 0 0 438.601 4.339 50 0 IIAARN C[C@H]1CSc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015730808 568814169 /nfs/dbraw/zinc/81/41/69/568814169.db2.gz WRMSQWUMDGDNHO-JTQLQIEISA-N 0 0 432.445 4.066 50 0 IIAARN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000015732084 568815092 /nfs/dbraw/zinc/81/50/92/568815092.db2.gz OVKBSQYRWVSCEF-UHFFFAOYSA-N 0 0 435.549 4.229 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015732103 568815137 /nfs/dbraw/zinc/81/51/37/568815137.db2.gz NVZVLMWUUKMZNB-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000015733385 568815606 /nfs/dbraw/zinc/81/56/06/568815606.db2.gz FRYDYXHYOZXFIM-UHFFFAOYSA-N 0 0 429.432 4.192 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000015733330 568815663 /nfs/dbraw/zinc/81/56/63/568815663.db2.gz ZTVHQRAINNWCRV-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1ccc(SCC(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 ZINC000015734188 568816270 /nfs/dbraw/zinc/81/62/70/568816270.db2.gz VHLRMPAPMAYMER-UHFFFAOYSA-N 0 0 429.548 4.023 50 0 IIAARN O=C(NC1CCCC1)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734943 568816543 /nfs/dbraw/zinc/81/65/43/568816543.db2.gz ATFJWTWMFDTYPW-UHFFFAOYSA-N 0 0 435.391 4.243 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NC[C@@H](C)c1ccccc1)C(=O)CS2 ZINC000015735117 568816887 /nfs/dbraw/zinc/81/68/87/568816887.db2.gz FOMNYQMWNFGWJL-GOSISDBHSA-N 0 0 448.592 4.320 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32c3ccccc3NC2=O)cc1 ZINC000001453762 568819010 /nfs/dbraw/zinc/81/90/10/568819010.db2.gz QLOYYDLCRVECEN-SQJMNOBHSA-N 0 0 427.460 4.052 50 0 IIAARN O=C(Nc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1)c1ccc(Cl)cc1 ZINC000015772048 568822597 /nfs/dbraw/zinc/82/25/97/568822597.db2.gz NBIQPXSVLOAJCU-UHFFFAOYSA-N 0 0 439.880 4.019 50 0 IIAARN CCOc1ccccc1C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015780777 568825199 /nfs/dbraw/zinc/82/51/99/568825199.db2.gz FEENCOZPWVBRIS-OAQYLSRUSA-N 0 0 445.562 4.100 50 0 IIAARN Cc1ccc2ccc3cc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)[nH]c3c2n1 ZINC000085577764 568825342 /nfs/dbraw/zinc/82/53/42/568825342.db2.gz URVKSCNAKBEKIU-UHFFFAOYSA-N 0 0 445.542 4.106 50 0 IIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015781751 568826139 /nfs/dbraw/zinc/82/61/39/568826139.db2.gz PDBAIKXNIBKLMB-GOSISDBHSA-N 0 0 432.904 4.360 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C ZINC000006110636 568828449 /nfs/dbraw/zinc/82/84/49/568828449.db2.gz KYKKHHZHPNXOSF-DZGCQCFKSA-N 0 0 427.570 4.091 50 0 IIAARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C ZINC000006110628 568828462 /nfs/dbraw/zinc/82/84/62/568828462.db2.gz KYKKHHZHPNXOSF-UKRRQHHQSA-N 0 0 427.570 4.091 50 0 IIAARN CCCCN(CCCC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc21 ZINC000013778379 568828489 /nfs/dbraw/zinc/82/84/89/568828489.db2.gz SBUNXBLZIOYWBK-UHFFFAOYSA-N 0 0 447.583 4.042 50 0 IIAARN CC[C@H](C)N1C(=S)SC(C)(C)[C@H]1n1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000001508214 568835353 /nfs/dbraw/zinc/83/53/53/568835353.db2.gz JYEWEVRTFZNQLO-TVQRCGJNSA-N 0 0 448.397 4.308 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2cccc(F)c2)c1C ZINC000085712603 568835633 /nfs/dbraw/zinc/83/56/33/568835633.db2.gz CDPRMXDSFXBUGN-UHFFFAOYSA-N 0 0 436.549 4.471 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000063714775 568837778 /nfs/dbraw/zinc/83/77/78/568837778.db2.gz ZPNKGLOYOQZVQR-UHFFFAOYSA-N 0 0 429.270 4.000 50 0 IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2cccc(OC)c2)cc(=O)c1O ZINC000085876737 568838464 /nfs/dbraw/zinc/83/84/64/568838464.db2.gz HKVKWGWLBJTYSG-IBGZPJMESA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085878540 568838541 /nfs/dbraw/zinc/83/85/41/568838541.db2.gz BRIFMAMZWZDHRM-KRWDZBQOSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1ccc(F)cc1F ZINC000015823823 568840244 /nfs/dbraw/zinc/84/02/44/568840244.db2.gz PSFRPYONAOFDEJ-UHFFFAOYSA-N 0 0 437.493 4.443 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000021751160 568842544 /nfs/dbraw/zinc/84/25/44/568842544.db2.gz SPLSRWZILGNPAV-OAQYLSRUSA-N 0 0 439.606 4.487 50 0 IIAARN O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccco2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000043198645 568842918 /nfs/dbraw/zinc/84/29/18/568842918.db2.gz URSAENOKOCRFDG-GOSISDBHSA-N 0 0 446.488 4.355 50 0 IIAARN Cc1ccc(-c2nnc3c(N(C)S(=O)(=O)c4ccccc4)nc4ccccc4n23)cc1 ZINC000006148390 568846796 /nfs/dbraw/zinc/84/67/96/568846796.db2.gz PHCBXPJSGPPCDL-UHFFFAOYSA-N 0 0 429.505 4.078 50 0 IIAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2O[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015858887 568846963 /nfs/dbraw/zinc/84/69/63/568846963.db2.gz OTUQWCJSLSJFGB-AREMUKBSSA-N 0 0 449.510 4.485 50 0 IIAARN Cc1c(C)n(-c2cccc(C)c2)c2ncn(CCC(=O)NCCCc3ccccc3)c(=O)c12 ZINC000015863299 568849233 /nfs/dbraw/zinc/84/92/33/568849233.db2.gz FMJPZXDUIVBRFA-UHFFFAOYSA-N 0 0 442.563 4.252 50 0 IIAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccccc4OC)ccc3[nH]2)cc1 ZINC000015863792 568849452 /nfs/dbraw/zinc/84/94/52/568849452.db2.gz NPQDOIGKPRRPFE-UHFFFAOYSA-N 0 0 442.519 4.441 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)N[C@H](C)Cc4ccco4)CC3)[nH]c2c1 ZINC000015868664 568852225 /nfs/dbraw/zinc/85/22/25/568852225.db2.gz RRFMPYPZQRLIEE-IAGOWNOFSA-N 0 0 437.540 4.005 50 0 IIAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000015882575 568857042 /nfs/dbraw/zinc/85/70/42/568857042.db2.gz FOANUSGRZGWOAI-JOCHJYFZSA-N 0 0 436.353 4.374 50 0 IIAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c12 ZINC000016042315 568868175 /nfs/dbraw/zinc/86/81/75/568868175.db2.gz FNNQYLFKWQIWHQ-OAHLLOKOSA-N 0 0 435.542 4.216 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000016047581 568868956 /nfs/dbraw/zinc/86/89/56/568868956.db2.gz FJPYOLOEQKCKFQ-UHFFFAOYSA-N 0 0 427.457 4.194 50 0 IIAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cc(Br)ccc1Cl ZINC000575611664 568879177 /nfs/dbraw/zinc/87/91/77/568879177.db2.gz HRBJJUYHDNIQKM-FQEVSTJZSA-N 0 0 438.749 4.147 50 0 IIAARN COc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1 ZINC000009224252 568879279 /nfs/dbraw/zinc/87/92/79/568879279.db2.gz ONZFDHAMAQHPAG-UHFFFAOYSA-N 0 0 427.511 4.032 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575613528 568879823 /nfs/dbraw/zinc/87/98/23/568879823.db2.gz RPDGIDWUFSQLRI-CQSZACIVSA-N 0 0 445.239 4.333 50 0 IIAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000006237901 568880808 /nfs/dbraw/zinc/88/08/08/568880808.db2.gz JZYFOKXVYLGQHR-IBGZPJMESA-N 0 0 443.866 4.015 50 0 IIAARN Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)cs2)c(C)c1 ZINC000064025293 568882067 /nfs/dbraw/zinc/88/20/67/568882067.db2.gz BLFSVIGRZBIFFD-UHFFFAOYSA-N 0 0 426.586 4.227 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000009517704 568883635 /nfs/dbraw/zinc/88/36/35/568883635.db2.gz WCFIHSYTLWFRGI-UHFFFAOYSA-N 0 0 425.901 4.208 50 0 IIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccc(Br)s1 ZINC000009960192 568884325 /nfs/dbraw/zinc/88/43/25/568884325.db2.gz FARCBEDSTVLVLG-XVNBXDOJSA-N 0 0 433.249 4.038 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000229836227 568887170 /nfs/dbraw/zinc/88/71/70/568887170.db2.gz XKESFJMTYGBTKX-DBXWQHBBSA-N 0 0 442.535 4.047 50 0 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CCOC(=O)c1c(CN2CCC(C(=O)OC)CC2)nc2ccccc2c1-c1ccccc1 ZINC000016517142 568920540 /nfs/dbraw/zinc/92/05/40/568920540.db2.gz NKUMYVUJTONRTO-UHFFFAOYSA-N 0 0 432.520 4.464 50 0 IIAARN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000089312040 568920786 /nfs/dbraw/zinc/92/07/86/568920786.db2.gz BSMXRYNZENZEJT-UHFFFAOYSA-N 0 0 429.952 4.139 50 0 IIAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000001917046 568922686 /nfs/dbraw/zinc/92/26/86/568922686.db2.gz OGMNHFUHXSQSLQ-JOCHJYFZSA-N 0 0 444.487 4.032 50 0 IIAARN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cn(C)nc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000252486242 568923158 /nfs/dbraw/zinc/92/31/58/568923158.db2.gz HBENWVGAJHXQRW-KIHHCIJBSA-N 0 0 442.563 4.199 50 0 IIAARN COc1ccc(Nc2nc(N=NCc3ccc(O)cc3O)nc(Nc3ccccc3)n2)cc1 ZINC000252639831 568926567 /nfs/dbraw/zinc/92/65/67/568926567.db2.gz YNZNDKYZRUZPGX-UHFFFAOYSA-N 0 0 443.467 4.225 50 0 IIAARN Cc1nc2sc3c(c2c(N2CCN(C(=O)[C@H]4C[C@H]4c4ccccc4)CC2)n1)CCCC3 ZINC000035888264 568930934 /nfs/dbraw/zinc/93/09/34/568930934.db2.gz SXTRAZZHFUDZHV-PMACEKPBSA-N 0 0 432.593 4.331 50 0 IIAARN CCNC(=O)N(CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035887336 568930962 /nfs/dbraw/zinc/93/09/62/568930962.db2.gz VSSOSJANATUREQ-UHFFFAOYSA-N 0 0 449.574 4.430 50 0 IIAARN COCCN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000035944579 568932278 /nfs/dbraw/zinc/93/22/78/568932278.db2.gz AHOSCZBKHYEAFG-UHFFFAOYSA-N 0 0 444.551 4.101 50 0 IIAARN COc1ccccc1-c1c(=O)c2ccc3c(c2oc1C(F)(F)F)CN(CCCO)CO3 ZINC000054313744 568938778 /nfs/dbraw/zinc/93/87/78/568938778.db2.gz KWOQDGGNOJDPDO-UHFFFAOYSA-N 0 0 435.398 4.022 50 0 biogenic IIAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1Cl ZINC000064605209 568939073 /nfs/dbraw/zinc/93/90/73/568939073.db2.gz SBGKCESNLDPFGF-UHFFFAOYSA-N 0 0 438.915 4.105 50 0 IIAARN Cc1cccc(CN2CCCn3nc(C(=O)N[C@H]4CCCc5ccccc54)cc3C2=O)c1 ZINC000064665584 568942690 /nfs/dbraw/zinc/94/26/90/568942690.db2.gz GSSHZXBUBQNTNF-QFIPXVFZSA-N 0 0 428.536 4.045 50 0 IIAARN Cc1cccc(Cn2cccc2CNS(=O)(=O)c2ccc(Br)s2)c1 ZINC000064665072 568942710 /nfs/dbraw/zinc/94/27/10/568942710.db2.gz QSSQZMJXAAIBEZ-UHFFFAOYSA-N 0 0 425.373 4.147 50 0 IIAARN O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064666692 568942957 /nfs/dbraw/zinc/94/29/57/568942957.db2.gz XLKWYTPNFWQSON-UHFFFAOYSA-N 0 0 443.528 4.329 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000064712335 568944830 /nfs/dbraw/zinc/94/48/30/568944830.db2.gz TUIZHPKXGRWXBO-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN CCOc1ccc(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063949 568945110 /nfs/dbraw/zinc/94/51/10/568945110.db2.gz JYJXTTTUPQDWMQ-GHTZIAJQSA-N 0 0 429.561 4.029 50 0 IIAARN O=C(NCC1CC1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072430 568946059 /nfs/dbraw/zinc/94/60/59/568946059.db2.gz CDHKJCUEMBXTKU-UHFFFAOYSA-N 0 0 429.442 4.434 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1 ZINC000064744107 568948750 /nfs/dbraw/zinc/94/87/50/568948750.db2.gz DONSQSMTABEENC-UHFFFAOYSA-N 0 0 426.307 4.354 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747737 568950194 /nfs/dbraw/zinc/95/01/94/568950194.db2.gz JEJAOORBLROKND-INIZCTEOSA-N 0 0 428.395 4.155 50 0 IIAARN Cc1ccc(C)c(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)c1 ZINC000064754674 568950952 /nfs/dbraw/zinc/95/09/52/568950952.db2.gz YGOOANRVEZJEQL-QFIPXVFZSA-N 0 0 441.531 4.225 50 0 IIAARN COc1ccc(-c2nc3sc(C(=O)N4CCOCC4)c(C)n3c2NC(C)(C)C)cc1 ZINC000064761299 568952206 /nfs/dbraw/zinc/95/22/06/568952206.db2.gz RCFMDDNTISKBIF-UHFFFAOYSA-N 0 0 428.558 4.063 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3F)C(=O)CC(C)C)C2)cc1OC ZINC000006696461 568952739 /nfs/dbraw/zinc/95/27/39/568952739.db2.gz KJTDJBKJWGEMEZ-IBGZPJMESA-N 0 0 428.504 4.411 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(C)=O ZINC000036118261 568955923 /nfs/dbraw/zinc/95/59/23/568955923.db2.gz HUOLXICHXZJFGU-YLJYHZDGSA-N 0 0 444.597 4.156 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)C1CC1 ZINC000036118579 568955933 /nfs/dbraw/zinc/95/59/33/568955933.db2.gz KQDWQKGTRYGQQR-FQEVSTJZSA-N 0 0 426.582 4.128 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119474 568956125 /nfs/dbraw/zinc/95/61/25/568956125.db2.gz HCWOVGFJOZUVNP-DYESRHJHSA-N 0 0 426.582 4.290 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C2CC2)cc1 ZINC000036119781 568956754 /nfs/dbraw/zinc/95/67/54/568956754.db2.gz XFNVPLISBIIGKP-JOCHJYFZSA-N 0 0 440.609 4.456 50 0 IIAARN Cc1ccc2cc(-c3noc(CCC(=O)N(C)Cc4ccc(Cl)cc4)n3)c(=O)[nH]c2c1 ZINC000064789906 568957174 /nfs/dbraw/zinc/95/71/74/568957174.db2.gz FMCFKLNRWYDHEM-UHFFFAOYSA-N 0 0 436.899 4.131 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 ZINC000036120460 568957463 /nfs/dbraw/zinc/95/74/63/568957463.db2.gz WKQBVNFPKCDFTE-LJQANCHMSA-N 0 0 430.545 4.039 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)=O ZINC000036121659 568957791 /nfs/dbraw/zinc/95/77/91/568957791.db2.gz XLJFNUCCHNXUOB-IIBYNOLFSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036121377 568957835 /nfs/dbraw/zinc/95/78/35/568957835.db2.gz UDXZGENCHUCYTM-FQEVSTJZSA-N 0 0 432.561 4.285 50 0 IIAARN O=C(CN(CC1CC1)C(=O)C1CC1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121732 568958000 /nfs/dbraw/zinc/95/80/00/568958000.db2.gz TVSUYPTXEHPMTM-NRFANRHFSA-N 0 0 442.556 4.041 50 0 IIAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)C1CC1 ZINC000036122004 568958053 /nfs/dbraw/zinc/95/80/53/568958053.db2.gz VDUNMZTZGNYXHG-HXUWFJFHSA-N 0 0 426.582 4.208 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C ZINC000036122805 568958356 /nfs/dbraw/zinc/95/83/56/568958356.db2.gz IQONNKGWQMMADT-HXUWFJFHSA-N 0 0 429.586 4.001 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)[C@H](C)CC ZINC000036122971 568958471 /nfs/dbraw/zinc/95/84/71/568958471.db2.gz ZMKLQHQCHNYCKC-APWZRJJASA-N 0 0 447.576 4.222 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(C)C ZINC000036123873 568958718 /nfs/dbraw/zinc/95/87/18/568958718.db2.gz CVMOSVOROMWGJX-HXUWFJFHSA-N 0 0 443.613 4.391 50 0 IIAARN CCCc1cc(Nc2cccc(C(=O)NCC(C)C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791763 568959037 /nfs/dbraw/zinc/95/90/37/568959037.db2.gz ACZKQABLSJBNQZ-UHFFFAOYSA-N 0 0 429.528 4.268 50 0 IIAARN Cc1nc2[nH]c(N(Cc3cccs3)C(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1C ZINC000064791962 568959311 /nfs/dbraw/zinc/95/93/11/568959311.db2.gz LATSRVYZSLIVIJ-UHFFFAOYSA-N 0 0 435.553 4.240 50 0 IIAARN Cc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)c1C ZINC000064792507 568959465 /nfs/dbraw/zinc/95/94/65/568959465.db2.gz QLAVGEWAVRPFRK-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CC2)n1C1CCCCC1 ZINC000064793862 568959742 /nfs/dbraw/zinc/95/97/42/568959742.db2.gz ZUIIAIMRVQAWNM-UHFFFAOYSA-N 0 0 428.587 4.013 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1sc2ncccc2c1N ZINC000064794157 568959933 /nfs/dbraw/zinc/95/99/33/568959933.db2.gz XHWJYZWWPOVMNI-UHFFFAOYSA-N 0 0 428.518 4.027 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1O ZINC000064798406 568960620 /nfs/dbraw/zinc/96/06/20/568960620.db2.gz BCVPRSGFQCOJCA-OAHLLOKOSA-N 0 0 429.519 4.078 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801580 568961580 /nfs/dbraw/zinc/96/15/80/568961580.db2.gz PCPJHXPZSASHOU-UHFFFAOYSA-N 0 0 434.500 4.018 50 0 IIAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)n1 ZINC000064802072 568961886 /nfs/dbraw/zinc/96/18/86/568961886.db2.gz KJHUSTLGLWWGHH-UHFFFAOYSA-N 0 0 441.557 4.387 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccccc1F ZINC000064815718 568963450 /nfs/dbraw/zinc/96/34/50/568963450.db2.gz UVFZNRBBIALTLZ-HSZRJFAPSA-N 0 0 438.528 4.229 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815725 568963483 /nfs/dbraw/zinc/96/34/83/568963483.db2.gz VEVXCXQNXYINGR-VWLOTQADSA-N 0 0 448.592 4.394 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(OC)c3)n(CCc3ccccc3)c(=O)c21 ZINC000064817111 568964348 /nfs/dbraw/zinc/96/43/48/568964348.db2.gz XFNOWURUGQODKL-UHFFFAOYSA-N 0 0 434.565 4.465 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(OC)c3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817411 568964514 /nfs/dbraw/zinc/96/45/14/568964514.db2.gz POEIKCXOCUTMER-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1 ZINC000036155461 568964761 /nfs/dbraw/zinc/96/47/61/568964761.db2.gz OFZBODOLTURCOH-QHCPKHFHSA-N 0 0 436.558 4.346 50 0 IIAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(C)cc5)C4)CC3)n2)cc1 ZINC000064818204 568966193 /nfs/dbraw/zinc/96/61/93/568966193.db2.gz NIGBEQPPRHDWJE-OAQYLSRUSA-N 0 0 444.535 4.113 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000064819641 568966566 /nfs/dbraw/zinc/96/65/66/568966566.db2.gz DGOHOHYKHDYIAT-UHFFFAOYSA-N 0 0 432.568 4.272 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1F ZINC000036165922 568968300 /nfs/dbraw/zinc/96/83/00/568968300.db2.gz VOCOYIRQZSMULA-XMMPIXPASA-N 0 0 440.540 4.300 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(C)=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000036165824 568968406 /nfs/dbraw/zinc/96/84/06/568968406.db2.gz CRHMUDXBHLPWTL-FQEVSTJZSA-N 0 0 436.455 4.009 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000064835637 568968978 /nfs/dbraw/zinc/96/89/78/568968978.db2.gz JCPOSHDNZIOHGK-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(COc2ccccc2F)n1 ZINC000064840394 568969984 /nfs/dbraw/zinc/96/99/84/568969984.db2.gz HAAZGCZJGHKNSG-UHFFFAOYSA-N 0 0 434.855 4.156 50 0 IIAARN O=[S@@](Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1Br)OCCO2 ZINC000064838437 568970104 /nfs/dbraw/zinc/97/01/04/568970104.db2.gz BWYOQLQKZZKNLX-RUZDIDTESA-N 0 0 433.270 4.271 50 0 IIAARN Cc1nc2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2n(Cc2ccccc2)c1=O ZINC000064859535 568972431 /nfs/dbraw/zinc/97/24/31/568972431.db2.gz XEDMCXZBVVWODY-UHFFFAOYSA-N 0 0 441.531 4.470 50 0 IIAARN Cc1ccc(C)c(-c2csc3[nH]c(CN(C[C@H](O)COC(C)C)C4CC4)nc(=O)c23)c1 ZINC000036206521 568973025 /nfs/dbraw/zinc/97/30/25/568973025.db2.gz SBWCBKMBKCLEJR-SFHVURJKSA-N 0 0 441.597 4.019 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N[C@@H]3CCCc4ccccc43)c2)on1 ZINC000064866201 568974263 /nfs/dbraw/zinc/97/42/63/568974263.db2.gz WJTSMRCSOSTSJQ-OAQYLSRUSA-N 0 0 438.549 4.316 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000064866542 568974625 /nfs/dbraw/zinc/97/46/25/568974625.db2.gz ZHLMYRARIPFBHY-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1C ZINC000064866837 568974791 /nfs/dbraw/zinc/97/47/91/568974791.db2.gz MKZVOBOUMHHECM-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000064867062 568974807 /nfs/dbraw/zinc/97/48/07/568974807.db2.gz HFVFSZKQWHZVMZ-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1c(C)cccc1C ZINC000064866777 568974867 /nfs/dbraw/zinc/97/48/67/568974867.db2.gz AFEXNTNKCACJFR-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccccc3C)c2)c1C ZINC000064867354 568975167 /nfs/dbraw/zinc/97/51/67/568975167.db2.gz JLBYMZUUDXZHLE-UHFFFAOYSA-N 0 0 426.538 4.055 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)cc1OC ZINC000064868442 568975563 /nfs/dbraw/zinc/97/55/63/568975563.db2.gz HLPZWECMWCQGMM-UHFFFAOYSA-N 0 0 444.578 4.191 50 0 IIAARN CC(C)c1nnc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n21 ZINC000064871723 568977954 /nfs/dbraw/zinc/97/79/54/568977954.db2.gz RMSKBVIDSLUOTG-UHFFFAOYSA-N 0 0 430.295 4.113 50 0 IIAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ncn2)cc1 ZINC000064872787 568978107 /nfs/dbraw/zinc/97/81/07/568978107.db2.gz FQQMMDGSNIABRY-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)c(OC)c1 ZINC000064872881 568978126 /nfs/dbraw/zinc/97/81/26/568978126.db2.gz UMOHPZNUVNRATJ-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccccc1Cl ZINC000064888179 568979323 /nfs/dbraw/zinc/97/93/23/568979323.db2.gz MAASBFDYCQVYMN-UHFFFAOYSA-N 0 0 439.968 4.453 50 0 IIAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246346 568981770 /nfs/dbraw/zinc/98/17/70/568981770.db2.gz BTPDITCJMFXYBX-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccc(N(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248468 568982775 /nfs/dbraw/zinc/98/27/75/568982775.db2.gz AVODGFUHAXYNTB-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(OC)cc1 ZINC000036249355 568983237 /nfs/dbraw/zinc/98/32/37/568983237.db2.gz SVHZUMCBKCJMJK-UHFFFAOYSA-N 0 0 435.524 4.239 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c(Cl)c1 ZINC000064927611 568986544 /nfs/dbraw/zinc/98/65/44/568986544.db2.gz DIBKFJWWUNWBBE-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1cccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1C ZINC000064927964 568986789 /nfs/dbraw/zinc/98/67/89/568986789.db2.gz YAJUVWNALLNLJB-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN CN(CCCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)c1ccccc1 ZINC000064929068 568987321 /nfs/dbraw/zinc/98/73/21/568987321.db2.gz RPTCBLUBCRRLTD-NRFANRHFSA-N 0 0 447.558 4.142 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930023 568988465 /nfs/dbraw/zinc/98/84/65/568988465.db2.gz SVUMTWNUXIIMKL-KRWDZBQOSA-N 0 0 440.500 4.306 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930324 568988674 /nfs/dbraw/zinc/98/86/74/568988674.db2.gz CANIHCUNHWSLAU-MRXNPFEDSA-N 0 0 432.427 4.185 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930500 568988935 /nfs/dbraw/zinc/98/89/35/568988935.db2.gz KEKXENYOOFKTQE-MRXNPFEDSA-N 0 0 441.488 4.307 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000064930554 568989044 /nfs/dbraw/zinc/98/90/44/568989044.db2.gz ITWIEXVPGGBNHL-KRWDZBQOSA-N 0 0 437.525 4.476 50 0 IIAARN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ccccc2F)CC1 ZINC000169681423 568992274 /nfs/dbraw/zinc/99/22/74/568992274.db2.gz OUGCMQAAKXEPBQ-SFHVURJKSA-N 0 0 425.548 4.275 50 0 IIAARN O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681861 568992644 /nfs/dbraw/zinc/99/26/44/568992644.db2.gz GZGYNZJVBIUSNP-AHWVRZQESA-N 0 0 429.539 4.052 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(C)ccc(NC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000169681242 568992794 /nfs/dbraw/zinc/99/27/94/568992794.db2.gz GFNOOSLZQWYMMW-UHFFFAOYSA-N 0 0 434.496 4.147 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)cc1 ZINC000064944012 568993321 /nfs/dbraw/zinc/99/33/21/568993321.db2.gz YKPOBSYMQMYICW-UHFFFAOYSA-N 0 0 427.555 4.010 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036303501 568993772 /nfs/dbraw/zinc/99/37/72/568993772.db2.gz VHJWJULAHVGMLA-QGZVFWFLSA-N 0 0 429.948 4.456 50 0 IIAARN CCc1nnc2c(SCC(=O)Nc3cc(Cl)ccc3OC)nc3ccccc3n12 ZINC000064949118 568994624 /nfs/dbraw/zinc/99/46/24/568994624.db2.gz VOXSJGWNUZFSPL-UHFFFAOYSA-N 0 0 427.917 4.233 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3C[C@H](C)Sc4ccccc43)cc21 ZINC000064952166 568997402 /nfs/dbraw/zinc/99/74/02/568997402.db2.gz PXACGAGRAPQISJ-AWEZNQCLSA-N 0 0 434.608 4.225 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3C[C@@H](C)Sc4ccccc43)cc21 ZINC000064952165 568997405 /nfs/dbraw/zinc/99/74/05/568997405.db2.gz PXACGAGRAPQISJ-CQSZACIVSA-N 0 0 434.608 4.225 50 0 IIAARN O=C(Nc1ccc(F)cc1F)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036312060 568997655 /nfs/dbraw/zinc/99/76/55/568997655.db2.gz UWFGFSNHFPXYLA-QFIPXVFZSA-N 0 0 445.485 4.059 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(C)cc(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959227 568999657 /nfs/dbraw/zinc/99/96/57/568999657.db2.gz KCIWDGFWNJEEDD-QGZVFWFLSA-N 0 0 446.503 4.174 50 0 IIAARN Cc1ccc(CNC(=O)CN2c3ccccc3N(C(=O)Nc3ccc(C)cc3)CC2=O)cc1 ZINC000064971459 569076306 /nfs/dbraw/zinc/07/63/06/569076306.db2.gz FCPFAQDXOUULRG-UHFFFAOYSA-N 0 0 442.519 4.005 50 0 IIAARN CCc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000064972215 569076895 /nfs/dbraw/zinc/07/68/95/569076895.db2.gz FZZKMCQVANRUFW-XMMPIXPASA-N 0 0 434.561 4.312 50 0 IIAARN COc1cccc(-c2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)c(C)o2)c1OC ZINC000064977472 569077177 /nfs/dbraw/zinc/07/71/77/569077177.db2.gz FTASHTCGVUJULO-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)COc3ccccc3C)cc2=O)s1 ZINC000064976881 569077269 /nfs/dbraw/zinc/07/72/69/569077269.db2.gz PPITYGBJRCRYCY-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4cccc(Cl)c4)ccc32)cc1 ZINC000064976981 569077389 /nfs/dbraw/zinc/07/73/89/569077389.db2.gz LDJJGOJXOHOFSM-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cc(C)ccc4C)c(=O)n3n2)c1 ZINC000064977908 569077656 /nfs/dbraw/zinc/07/76/56/569077656.db2.gz VHKGMXRONKWNII-UHFFFAOYSA-N 0 0 438.487 4.220 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036342830 569079470 /nfs/dbraw/zinc/07/94/70/569079470.db2.gz FUNUZCULJDXLKZ-RUZDIDTESA-N 0 0 447.579 4.128 50 0 IIAARN CC(C)CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985623 569081976 /nfs/dbraw/zinc/08/19/76/569081976.db2.gz DXAWDAGJYJZPLL-JOCHJYFZSA-N 0 0 444.597 4.103 50 0 IIAARN COc1cc2c(cc1-c1nnc(SCC(=O)c3ccc(C)c(C)c3)n1C)OCCCO2 ZINC000064987216 569082317 /nfs/dbraw/zinc/08/23/17/569082317.db2.gz QJOARGOFQWQJQP-UHFFFAOYSA-N 0 0 439.537 4.244 50 0 IIAARN Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1S(=O)(=O)N1CCCC1 ZINC000064987770 569082666 /nfs/dbraw/zinc/08/26/66/569082666.db2.gz PTVJLXKSHTUVJD-UHFFFAOYSA-N 0 0 448.342 4.259 50 0 IIAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)cc1 ZINC000064990020 569083164 /nfs/dbraw/zinc/08/31/64/569083164.db2.gz QUPBSCHIOYUROB-UHFFFAOYSA-N 0 0 428.532 4.456 50 0 IIAARN COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990512 569083361 /nfs/dbraw/zinc/08/33/61/569083361.db2.gz GUGDOOUZDQNRCF-KRWDZBQOSA-N 0 0 443.503 4.386 50 0 IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCc4ccc(C)cc4)cc32)cc1 ZINC000064990777 569083449 /nfs/dbraw/zinc/08/34/49/569083449.db2.gz OLDRPCDLCSOHDS-UHFFFAOYSA-N 0 0 429.520 4.206 50 0 IIAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)O2 ZINC000064988699 569083686 /nfs/dbraw/zinc/08/36/86/569083686.db2.gz WGKAPKXJXILPPU-QHCPKHFHSA-N 0 0 436.533 4.218 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC(F)F ZINC000036367168 569087268 /nfs/dbraw/zinc/08/72/68/569087268.db2.gz BABDDGIGYYRVDL-LLVKDONJSA-N 0 0 435.818 4.358 50 0 IIAARN CCc1ccccc1NC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC)ncn2)CC1 ZINC000065008084 569087384 /nfs/dbraw/zinc/08/73/84/569087384.db2.gz OIBGOOSAVRRHBV-UHFFFAOYSA-N 0 0 435.503 4.208 50 0 IIAARN CCOCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000065006782 569087433 /nfs/dbraw/zinc/08/74/33/569087433.db2.gz YGEJWWLDFWFVRH-KRWDZBQOSA-N 0 0 443.613 4.150 50 0 IIAARN COCCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000065006551 569087531 /nfs/dbraw/zinc/08/75/31/569087531.db2.gz GKZCARHPLUSGJL-QGZVFWFLSA-N 0 0 443.613 4.068 50 0 IIAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 ZINC000065021072 569088709 /nfs/dbraw/zinc/08/87/09/569088709.db2.gz KUZNTHYTHGIMSJ-OAQYLSRUSA-N 0 0 426.582 4.323 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)c(OC)c1 ZINC000065023210 569089162 /nfs/dbraw/zinc/08/91/62/569089162.db2.gz FJWYDJOJQQKDFP-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN CN(CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1)c1ccccc1 ZINC000065023689 569089377 /nfs/dbraw/zinc/08/93/77/569089377.db2.gz PBTJJWJNIFKMHC-QFIPXVFZSA-N 0 0 429.568 4.003 50 0 IIAARN CCc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c32)cc1 ZINC000065024903 569089703 /nfs/dbraw/zinc/08/97/03/569089703.db2.gz SVZBKWDDIBBRGZ-UHFFFAOYSA-N 0 0 430.508 4.468 50 0 IIAARN COc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)c4ccccc4F)ccc3n2)cc1 ZINC000065034073 569091904 /nfs/dbraw/zinc/09/19/04/569091904.db2.gz XMPXYZZOBARAHW-UHFFFAOYSA-N 0 0 445.450 4.166 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)cc1 ZINC000065034684 569092279 /nfs/dbraw/zinc/09/22/79/569092279.db2.gz HATIHWSSIXDKQL-UHFFFAOYSA-N 0 0 445.972 4.199 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cc(Cl)ccc4OC)C3)n[nH]2)cc1 ZINC000169753663 569093601 /nfs/dbraw/zinc/09/36/01/569093601.db2.gz YUYWYSFLZDUTGV-QGZVFWFLSA-N 0 0 440.931 4.146 50 0 IIAARN O=C(N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc(Br)o1 ZINC000169753387 569093607 /nfs/dbraw/zinc/09/36/07/569093607.db2.gz XWFXJNRDKBHFND-CQSZACIVSA-N 0 0 449.736 4.484 50 0 IIAARN O=C(N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc(Br)o1 ZINC000169753388 569093627 /nfs/dbraw/zinc/09/36/27/569093627.db2.gz XWFXJNRDKBHFND-AWEZNQCLSA-N 0 0 449.736 4.484 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)CC1 ZINC000169759595 569094046 /nfs/dbraw/zinc/09/40/46/569094046.db2.gz GIMXIESIKUSMDK-QHCPKHFHSA-N 0 0 436.943 4.079 50 0 IIAARN CCOc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000065058831 569095504 /nfs/dbraw/zinc/09/55/04/569095504.db2.gz MCYNRCSLNZCIMK-XMMPIXPASA-N 0 0 425.529 4.044 50 0 IIAARN CCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059842 569095670 /nfs/dbraw/zinc/09/56/70/569095670.db2.gz JMHHMTIQKKFXNW-UHFFFAOYSA-N 0 0 425.510 4.123 50 0 IIAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cccc(SC)c3)C2)c1 ZINC000065058883 569095714 /nfs/dbraw/zinc/09/57/14/569095714.db2.gz POQMPNLZZFSANC-HSZRJFAPSA-N 0 0 427.570 4.368 50 0 IIAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000065059313 569096103 /nfs/dbraw/zinc/09/61/03/569096103.db2.gz NAFNQOKLGICWDR-VWLOTQADSA-N 0 0 442.625 4.400 50 0 IIAARN CC(C)CCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000065059769 569096199 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COc1cccc(-c2nc(C3CCN(C(=O)c4ccc(Br)o4)CC3)no2)c1 ZINC000065076818 569099953 /nfs/dbraw/zinc/09/99/53/569099953.db2.gz OIQYFGUWSHOQQD-UHFFFAOYSA-N 0 0 432.274 4.121 50 0 IIAARN CC(C)c1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1cccc(Cl)c1 ZINC000036397582 569101076 /nfs/dbraw/zinc/10/10/76/569101076.db2.gz ISSTYBXUAOBUIA-UHFFFAOYSA-N 0 0 435.915 4.158 50 0 IIAARN COc1ccc(-c2nn(CN3CCc4nc(-c5ccccc5)ncc4C3)c(=S)o2)cc1 ZINC000036398240 569101332 /nfs/dbraw/zinc/10/13/32/569101332.db2.gz GMNYAIUATFWKOZ-UHFFFAOYSA-N 0 0 431.521 4.354 50 0 IIAARN CCCN(C(=O)Cn1c(=O)cnc2ccccc21)[C@@H](C)c1ccccc1Br ZINC000036398557 569101438 /nfs/dbraw/zinc/10/14/38/569101438.db2.gz CWCCDJFIAYEXNS-HNNXBMFYSA-N 0 0 428.330 4.159 50 0 IIAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2-c2cccnc2)cc1 ZINC000065095723 569103499 /nfs/dbraw/zinc/10/34/99/569103499.db2.gz ADZHVIIPCCWJAS-UHFFFAOYSA-N 0 0 443.507 4.057 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccc(C)cc3)n2C)cc1 ZINC000065099336 569105022 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IIAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(OC)c3)c2c1=O ZINC000065113480 569108387 /nfs/dbraw/zinc/10/83/87/569108387.db2.gz UOZHFSYOOJNXSJ-UHFFFAOYSA-N 0 0 430.508 4.312 50 0 IIAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4C)c3N)c(C)o2)cc1 ZINC000065113673 569108494 /nfs/dbraw/zinc/10/84/94/569108494.db2.gz MFYKOUPGLWXIKE-UHFFFAOYSA-N 0 0 446.511 4.140 50 0 IIAARN COC(=O)c1cccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)c1 ZINC000065113697 569108562 /nfs/dbraw/zinc/10/85/62/569108562.db2.gz WRBCMDAHIDBOFR-UHFFFAOYSA-N 0 0 436.468 4.281 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130083 569109034 /nfs/dbraw/zinc/10/90/34/569109034.db2.gz PYKNTUWIUWBCTL-UHFFFAOYSA-N 0 0 439.943 4.014 50 0 IIAARN O=C(CSc1nccc2c1ccn2Cc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000065118293 569109079 /nfs/dbraw/zinc/10/90/79/569109079.db2.gz PCLNBCWAGXAGCI-UHFFFAOYSA-N 0 0 449.507 4.361 50 0 IIAARN CC(C)CCNC(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000065131033 569109260 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ZINC000016849135 569164557 /nfs/dbraw/zinc/16/45/57/569164557.db2.gz XPMROBYUHBXHQA-UHFFFAOYSA-N 0 0 446.479 4.323 50 0 IIAARN COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000016891270 569165721 /nfs/dbraw/zinc/16/57/21/569165721.db2.gz GOBFYLIDZNMIAP-CYFREDJKSA-N 0 0 435.593 4.439 50 0 IIAARN O=c1oc2cccnc2n1CCSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000089857528 569165933 /nfs/dbraw/zinc/16/59/33/569165933.db2.gz VQELVPCVYYTLLI-UHFFFAOYSA-N 0 0 435.534 4.015 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016953402 569167473 /nfs/dbraw/zinc/16/74/73/569167473.db2.gz ZYAKPNORFXKFGC-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000089942279 569168451 /nfs/dbraw/zinc/16/84/51/569168451.db2.gz YZHGJISYXXBWGA-VHSXEESVSA-N 0 0 432.689 4.175 50 0 IIAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000089942278 569168439 /nfs/dbraw/zinc/16/84/39/569168439.db2.gz YZHGJISYXXBWGA-NXEZZACHSA-N 0 0 432.689 4.175 50 0 IIAARN CCCCN1C(=O)c2ccc(C(=O)N(Cc3ccco3)Cc3ccc(O)cc3)cc2C1=O ZINC000089954715 569168833 /nfs/dbraw/zinc/16/88/33/569168833.db2.gz GLFNSIUFXAXFQJ-UHFFFAOYSA-N 0 0 432.476 4.224 50 0 IIAARN CCCc1ccc([C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1 ZINC000089960451 569168908 /nfs/dbraw/zinc/16/89/08/569168908.db2.gz GRZITYBQZWAXEH-SQJMNOBHSA-N 0 0 447.560 4.275 50 0 IIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000017012321 569170490 /nfs/dbraw/zinc/17/04/90/569170490.db2.gz HVPKIWUNAUPFBI-UHFFFAOYSA-N 0 0 437.931 4.153 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000017041519 569171501 /nfs/dbraw/zinc/17/15/01/569171501.db2.gz NEAMBKAOXGVGRH-UHFFFAOYSA-N 0 0 449.498 4.311 50 0 IIAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000017149697 569174842 /nfs/dbraw/zinc/17/48/42/569174842.db2.gz CBKGWSKGLFAIFM-KRWDZBQOSA-N 0 0 425.840 4.156 50 0 IIAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1cccc(Br)c1 ZINC000017155183 569175033 /nfs/dbraw/zinc/17/50/33/569175033.db2.gz GBNGFBVQJHOJNU-UHFFFAOYSA-N 0 0 445.317 4.332 50 0 IIAARN CCCc1cc(=O)[nH]c(SCc2cccc(CSc3nc(CCC)cc(=O)[nH]3)c2)n1 ZINC000000934674 569176261 /nfs/dbraw/zinc/17/62/61/569176261.db2.gz UBUPYFZMVJKEJB-UHFFFAOYSA-N 0 0 442.610 4.343 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)sc2c1CCC2 ZINC000000935655 569176330 /nfs/dbraw/zinc/17/63/30/569176330.db2.gz YVFPFMSOZFURHE-ZDUSSCGKSA-N 0 0 441.505 4.234 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2cccc(Br)c2)C[C@H]1C=C(Cl)Cl ZINC000001234767 569176831 /nfs/dbraw/zinc/17/68/31/569176831.db2.gz CNCGTYXOBKCLEY-PHEKWQANSA-N 0 0 436.129 4.114 50 0 IIAARN CC(C)Oc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 ZINC000006238461 569178300 /nfs/dbraw/zinc/17/83/00/569178300.db2.gz BGFMRPFIPPZSMX-RQZCQDPDSA-N 0 0 432.332 4.460 50 0 IIAARN Cc1ccc(-n2cnnc2S[C@H](C(N)=O)c2ccc(Br)cc2F)c(C)c1 ZINC000170638465 569178600 /nfs/dbraw/zinc/17/86/00/569178600.db2.gz VSGGYWZLYFMGLW-INIZCTEOSA-N 0 0 435.322 4.104 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002094056 569179066 /nfs/dbraw/zinc/17/90/66/569179066.db2.gz PFEMEKKATLMFCT-UHFFFAOYSA-N 0 0 429.428 4.264 50 0 biogenic IIAARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c(OC)c1 ZINC000002093999 569179098 /nfs/dbraw/zinc/17/90/98/569179098.db2.gz WVXOVJRUJJXWEW-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)c1 ZINC000002103122 569179956 /nfs/dbraw/zinc/17/99/56/569179956.db2.gz XKSMSOOPHAVSEG-JYFHCDHNSA-N 0 0 427.548 4.494 50 0 biogenic IIAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)C1=O ZINC000002104675 569180239 /nfs/dbraw/zinc/18/02/39/569180239.db2.gz BELQXEQPDGOENE-DHLKQENFSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)cc1 ZINC000002107764 569181321 /nfs/dbraw/zinc/18/13/21/569181321.db2.gz FQSIPBLHTALEJB-JYFHCDHNSA-N 0 0 427.548 4.494 50 0 biogenic IIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002107385 569181355 /nfs/dbraw/zinc/18/13/55/569181355.db2.gz FYTPDUJJIIITTP-HSZRJFAPSA-N 0 0 427.456 4.295 50 0 biogenic IIAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002107384 569181372 /nfs/dbraw/zinc/18/13/72/569181372.db2.gz FYTPDUJJIIITTP-QHCPKHFHSA-N 0 0 427.456 4.295 50 0 biogenic IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NC[C@H]1CCCO1)nc2-c1cccc(Cl)c1 ZINC000037359645 569181444 /nfs/dbraw/zinc/18/14/44/569181444.db2.gz BNSSRAQVCUWBFX-QGZVFWFLSA-N 0 0 438.894 4.448 50 0 IIAARN CCCCCN1CC(=O)N2[C@H](c3ccccc3OCC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002108427 569181671 /nfs/dbraw/zinc/18/16/71/569181671.db2.gz ZKKGOKHZPTYVOE-BKMJKUGQSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN O=C(N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000001181981 569185421 /nfs/dbraw/zinc/18/54/21/569185421.db2.gz AZQHUPCORXEVGY-CQSZACIVSA-N 0 0 438.714 4.378 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c[nH]nc4c3)nnc2-c2ccncc2)cc1 ZINC000001088878 569185523 /nfs/dbraw/zinc/18/55/23/569185523.db2.gz IWZSXMFDMXKGDS-UHFFFAOYSA-N 0 0 441.520 4.245 50 0 IIAARN COC(=O)c1c2ccc3cc(OC)ccc3n2c(C(=O)c2ccc(F)cc2)c1C(=O)OC ZINC000002544902 569185903 /nfs/dbraw/zinc/18/59/03/569185903.db2.gz RURNHKHHUYYXAD-UHFFFAOYSA-N 0 0 435.407 4.044 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002151749 569187309 /nfs/dbraw/zinc/18/73/09/569187309.db2.gz ZCMRZDBQYZHFQN-FQEVSTJZSA-N 0 0 448.475 4.316 50 0 biogenic IIAARN O=C(COc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2cccs2)cc1)N1CCCC1 ZINC000252507690 569188312 /nfs/dbraw/zinc/18/83/12/569188312.db2.gz WRRNMKBNDRGIBY-HXUWFJFHSA-N 0 0 449.532 4.334 50 0 IIAARN CC(C)C[C@@H](C(=O)N[C@@H](c1nc2ccccc2n1C)C(C)C)N1Cc2ccccc2C1=O ZINC000252523295 569189604 /nfs/dbraw/zinc/18/96/04/569189604.db2.gz CGUKTVIHRGGZEK-XZOQPEGZSA-N 0 0 432.568 4.457 50 0 IIAARN CC(=O)N(CCC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)Cc1ccccc1 ZINC000252535659 569189726 /nfs/dbraw/zinc/18/97/26/569189726.db2.gz GNZKGMAJQCLBAJ-WGSAOQKQSA-N 0 0 447.348 4.389 50 0 IIAARN CCCCCCOc1cccc(NC(=O)Cn2c3ccccc3nc2-c2nonc2N)c1 ZINC000002191831 569190686 /nfs/dbraw/zinc/19/06/86/569190686.db2.gz ZPADCGJNBBZDLB-UHFFFAOYSA-N 0 0 434.500 4.266 50 0 IIAARN CCOCCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n1 ZINC000037385349 569192392 /nfs/dbraw/zinc/19/23/92/569192392.db2.gz MSKCOUFDSIYGFF-UHFFFAOYSA-N 0 0 448.479 4.204 50 0 IIAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2C)cc1 ZINC000002204515 569192967 /nfs/dbraw/zinc/19/29/67/569192967.db2.gz BCUHOILAINLVSO-UHFFFAOYSA-N 0 0 449.458 4.190 50 0 IIAARN O=C(Cn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000037396804 569193089 /nfs/dbraw/zinc/19/30/89/569193089.db2.gz APKRMHPWPCUSCN-UHFFFAOYSA-N 0 0 433.895 4.326 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)CC(C)C)C(C)C)c2)cc1 ZINC000037399822 569194703 /nfs/dbraw/zinc/19/47/03/569194703.db2.gz WYLUIHLZCVQJIN-UHFFFAOYSA-N 0 0 446.569 4.196 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC(C)C)C(=O)C(C)C)ccc2OC)cc1 ZINC000037400676 569195004 /nfs/dbraw/zinc/19/50/04/569195004.db2.gz FPSGLOUAYCAABJ-UHFFFAOYSA-N 0 0 449.569 4.112 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C(=O)c2cccs2)C2CC2)cc1 ZINC000037401040 569195028 /nfs/dbraw/zinc/19/50/28/569195028.db2.gz JUAKQJGIOLIXBW-UHFFFAOYSA-N 0 0 443.546 4.329 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)C(C)C ZINC000037401211 569195164 /nfs/dbraw/zinc/19/51/64/569195164.db2.gz NPYYLPHLVKYQIX-KRWDZBQOSA-N 0 0 446.569 4.196 50 0 IIAARN CO[C@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000170682969 569195457 /nfs/dbraw/zinc/19/54/57/569195457.db2.gz BUYUAIDNIVJKQS-LPHOPBHVSA-N 0 0 431.323 4.310 50 0 IIAARN COCCNC(=O)[C@@H](C)N(c1nc(-c2ccc(OC)cc2)cs1)c1cccc(C)c1 ZINC000037438789 569196199 /nfs/dbraw/zinc/19/61/99/569196199.db2.gz BACZINXEYDULFB-QGZVFWFLSA-N 0 0 425.554 4.416 50 0 IIAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000037442090 569196941 /nfs/dbraw/zinc/19/69/41/569196941.db2.gz JZBWQHWJOCEYEW-GOSISDBHSA-N 0 0 431.920 4.082 50 0 IIAARN O=C(NCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037523738 569198668 /nfs/dbraw/zinc/19/86/68/569198668.db2.gz CZABUJRVUBYYDN-UHFFFAOYSA-N 0 0 431.511 4.155 50 0 IIAARN CC(C)CNC(=O)c1ccccc1N1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000037526281 569199058 /nfs/dbraw/zinc/19/90/58/569199058.db2.gz HAYRMURGOMSIIM-UHFFFAOYSA-N 0 0 428.577 4.167 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)[C@@H]1C ZINC000007737473 569199343 /nfs/dbraw/zinc/19/93/43/569199343.db2.gz KNNASMJJBUADLD-MDZRGWNJSA-N 0 0 425.554 4.071 50 0 IIAARN O=C(NCc1cccc(Cl)c1)C1=NO[C@@H](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000066088997 569205642 /nfs/dbraw/zinc/20/56/42/569205642.db2.gz MBGQKRMAZCOJHK-MRXNPFEDSA-N 0 0 431.279 4.047 50 0 IIAARN COC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002236009 569212242 /nfs/dbraw/zinc/21/22/42/569212242.db2.gz BXSZNFJEZFMMHW-LBPRGKRZSA-N 0 0 444.413 4.366 50 0 IIAARN CCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 ZINC000002250765 569213846 /nfs/dbraw/zinc/21/38/46/569213846.db2.gz VNQSKSCIBBNTRY-UHFFFAOYSA-N 0 0 428.579 4.429 50 0 IIAARN CC(=O)Nc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002247351 569214631 /nfs/dbraw/zinc/21/46/31/569214631.db2.gz DMRBMXHNMNUXMI-UHFFFAOYSA-N 0 0 431.496 4.317 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Br)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002252858 569215013 /nfs/dbraw/zinc/21/50/13/569215013.db2.gz SRTIKDIIJOHJTE-WBMJQRKESA-N 0 0 437.359 4.297 50 0 IIAARN COc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002265406 569216183 /nfs/dbraw/zinc/21/61/83/569216183.db2.gz NKXWXHDYHARIPF-UHFFFAOYSA-N 0 0 444.516 4.306 50 0 IIAARN CN1C(=O)COc2ccc(C(=O)COc3ccccc3-c3ccnn3-c3ccccc3)cc21 ZINC000019862033 569256932 /nfs/dbraw/zinc/25/69/32/569256932.db2.gz BTDRLSLVCIIRSE-UHFFFAOYSA-N 0 0 439.471 4.156 50 0 IIAARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@H](OC(C)=O)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000039941913 569257834 /nfs/dbraw/zinc/25/78/34/569257834.db2.gz VNILAENJJRBBKT-GOKMBTTKSA-N 0 0 434.573 4.434 50 0 IIAARN COc1cccc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522931 569262745 /nfs/dbraw/zinc/26/27/45/569262745.db2.gz VESKUDXFZRDARF-XZOQPEGZSA-N 0 0 426.472 4.065 50 0 IIAARN CCOC(=O)COc1cccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)c2ccco2)c1 ZINC000253392506 569264238 /nfs/dbraw/zinc/26/42/38/569264238.db2.gz DMKHQLKUTSZFJP-QFIPXVFZSA-N 0 0 448.475 4.222 50 0 IIAARN Cn1c(COc2ccccc2Cl)nnc1SC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000253398097 569264718 /nfs/dbraw/zinc/26/47/18/569264718.db2.gz LDIJAMUPFAZCRJ-INIZCTEOSA-N 0 0 442.972 4.302 50 0 IIAARN COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253414872 569266241 /nfs/dbraw/zinc/26/62/41/569266241.db2.gz YWEOECXWQZOAIP-NRFANRHFSA-N 0 0 430.504 4.281 50 0 biogenic IIAARN CCCCCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002308595 569272172 /nfs/dbraw/zinc/27/21/72/569272172.db2.gz KUVFPEXEMKEVRO-UHFFFAOYSA-N 0 0 447.539 4.483 50 0 IIAARN CCOC(=O)[C@](NC(=O)Nc1cc(Cl)ccc1OC)(Oc1ccccc1)C(F)(F)F ZINC000002322777 569274225 /nfs/dbraw/zinc/27/42/25/569274225.db2.gz ZXJAEGHHYJUKHY-SFHVURJKSA-N 0 0 446.809 4.371 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3cc4ccccc4oc3=O)cc1)CCC2 ZINC000002331146 569274590 /nfs/dbraw/zinc/27/45/90/569274590.db2.gz KODFWBUCVZKJNJ-UHFFFAOYSA-N 0 0 430.485 4.361 50 0 IIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1OC ZINC000002337092 569274904 /nfs/dbraw/zinc/27/49/04/569274904.db2.gz MGDAHLBFYAOOHD-QNGOZBTKSA-N 0 0 435.549 4.252 50 0 IIAARN Cc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1Cl ZINC000002367221 569288560 /nfs/dbraw/zinc/28/85/60/569288560.db2.gz MSKHCRKKQUBSGF-HNNXBMFYSA-N 0 0 436.899 4.454 50 0 IIAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1OC ZINC000002371687 569288966 /nfs/dbraw/zinc/28/89/66/569288966.db2.gz HQGSPJPNZDJEIP-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000002386444 569295103 /nfs/dbraw/zinc/29/51/03/569295103.db2.gz ZONZVEWKIVOYJN-UHFFFAOYSA-N 0 0 438.340 4.014 50 0 IIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1F ZINC000009439468 569296271 /nfs/dbraw/zinc/29/62/71/569296271.db2.gz WROHCRZLIRDFSR-QMTMVMCOSA-N 0 0 434.533 4.190 50 0 IIAARN COc1ccc(-c2noc(COC(=O)/C=C/c3ccc(OC(F)F)cc3)n2)c(OC)c1 ZINC000009961303 569298737 /nfs/dbraw/zinc/29/87/37/569298737.db2.gz NWESIKXZRULERL-BJMVGYQFSA-N 0 0 432.379 4.112 50 0 IIAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(NCCOCCO)n1 ZINC000002401269 569299664 /nfs/dbraw/zinc/29/96/64/569299664.db2.gz LVOFRHNCPITDAA-UHFFFAOYSA-N 0 0 432.615 4.069 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1c1ncccn1 ZINC000002406293 569300101 /nfs/dbraw/zinc/30/01/01/569300101.db2.gz MUZWBMKWBIMEIX-KRWDZBQOSA-N 0 0 434.249 4.095 50 0 IIAARN CC(C)OCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002414220 569301259 /nfs/dbraw/zinc/30/12/59/569301259.db2.gz IDACJASPCVBUCB-UHFFFAOYSA-N 0 0 437.931 4.354 50 0 IIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1F ZINC000011847563 569302979 /nfs/dbraw/zinc/30/29/79/569302979.db2.gz WROHCRZLIRDFSR-YZVOILCLSA-N 0 0 434.533 4.190 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)c(OC)c1 ZINC000002433922 569303453 /nfs/dbraw/zinc/30/34/53/569303453.db2.gz AOGAPRYAEFSWER-ZDUSSCGKSA-N 0 0 437.883 4.312 50 0 IIAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012940072 569305056 /nfs/dbraw/zinc/30/50/56/569305056.db2.gz YMJRNVWJKCRYTN-UHFFFAOYSA-N 0 0 445.491 4.034 50 0 IIAARN COc1cc2nc(SCc3ccc(C(F)(F)F)cc3)n3cc(O)nc3c2cc1OC ZINC000012951451 569305203 /nfs/dbraw/zinc/30/52/03/569305203.db2.gz SOUBATUKMJPRFP-UHFFFAOYSA-N 0 0 435.427 4.246 50 0 IIAARN O=C(NCCCOc1ccc(OCCCNC(=O)c2cccs2)cc1)c1cccs1 ZINC000012958586 569305318 /nfs/dbraw/zinc/30/53/18/569305318.db2.gz QZWHXRMPBORPHQ-UHFFFAOYSA-N 0 0 444.578 4.207 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000002453253 569305541 /nfs/dbraw/zinc/30/55/41/569305541.db2.gz PNPFYFLIZOUWBP-UHFFFAOYSA-N 0 0 431.855 4.478 50 0 IIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)nn2)n1 ZINC000013010124 569306770 /nfs/dbraw/zinc/30/67/70/569306770.db2.gz KMEXCNBEVZWUFK-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN O=C(COC(=O)COc1ccc(C2SCCCS2)cc1)Nc1ccc(F)c(F)c1 ZINC000013017435 569307164 /nfs/dbraw/zinc/30/71/64/569307164.db2.gz IVZPBGAKJYYGCJ-UHFFFAOYSA-N 0 0 439.505 4.394 50 0 IIAARN Cc1cc(C)c(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000013097223 569309722 /nfs/dbraw/zinc/30/97/22/569309722.db2.gz PKIGVSGFVIIHOB-UHFFFAOYSA-N 0 0 430.570 4.194 50 0 IIAARN O=C(COc1cccc(Br)c1)Nc1cccc(I)c1 ZINC000013102382 569310144 /nfs/dbraw/zinc/31/01/44/569310144.db2.gz WJMGJQKHIHZYEG-UHFFFAOYSA-N 0 0 432.055 4.071 50 0 IIAARN CON(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1 ZINC000013098810 569309916 /nfs/dbraw/zinc/30/99/16/569309916.db2.gz LFNCKFLICIGEPT-UHFFFAOYSA-N 0 0 445.924 4.332 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC000013110249 569310328 /nfs/dbraw/zinc/31/03/28/569310328.db2.gz YOTFKAMXGGRRRT-RYUDHWBXSA-N 0 0 442.295 4.307 50 0 IIAARN COc1ccc(N2C(=O)C(=O)N(CCSc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000013115684 569310927 /nfs/dbraw/zinc/31/09/27/569310927.db2.gz QEIVAEMLNHCCAX-UHFFFAOYSA-N 0 0 425.293 4.090 50 0 IIAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(N2CCCCCC2)cc1 ZINC000013120349 569310966 /nfs/dbraw/zinc/31/09/66/569310966.db2.gz JISHYNQBMQVFKY-UHFFFAOYSA-N 0 0 444.461 4.378 50 0 IIAARN CN(Cc1cccc(Cl)c1)[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137854 569311702 /nfs/dbraw/zinc/31/17/02/569311702.db2.gz ZLAZUWXJRJVJDH-GOTSBHOMSA-N 0 0 426.969 4.416 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c2oc1-c1ccccc1 ZINC000013164732 569312523 /nfs/dbraw/zinc/31/25/23/569312523.db2.gz KEIAAXKQLSNKHZ-UHFFFAOYSA-N 0 0 448.425 4.415 50 0 IIAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)C[C@H]2C)c1 ZINC000013236634 569312637 /nfs/dbraw/zinc/31/26/37/569312637.db2.gz GTJBVOOTRQYPSI-LJQANCHMSA-N 0 0 446.576 4.438 50 0 IIAARN CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)C(C)=N2 ZINC000013363341 569314109 /nfs/dbraw/zinc/31/41/09/569314109.db2.gz WCZLCJMBFWLPTQ-LJQANCHMSA-N 0 0 446.573 4.430 50 0 IIAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4Cl)c3)cc2=O)s1 ZINC000013368061 569314477 /nfs/dbraw/zinc/31/44/77/569314477.db2.gz SYNHHXMVWKEAQU-UHFFFAOYSA-N 0 0 440.912 4.198 50 0 IIAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)C4CCCCC4)c3)cc2=O)s1 ZINC000013367989 569314479 /nfs/dbraw/zinc/31/44/79/569314479.db2.gz NKKIKUGSBQXDIP-UHFFFAOYSA-N 0 0 426.542 4.372 50 0 IIAARN CCc1nn2c(nc(COc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2=O)s1 ZINC000013368168 569314576 /nfs/dbraw/zinc/31/45/76/569314576.db2.gz ZMVVBPJIPRXCJY-UHFFFAOYSA-N 0 0 440.912 4.198 50 0 IIAARN Cc1cccc(C2(O)CCN(C(=O)c3cccc(I)c3)CC2)c1C ZINC000078878492 569319897 /nfs/dbraw/zinc/31/98/97/569319897.db2.gz TULCBOIYKQEMRX-UHFFFAOYSA-N 0 0 435.305 4.032 50 0 IIAARN O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000078878928 569320020 /nfs/dbraw/zinc/32/00/20/569320020.db2.gz NLGYVCGSCYCRMC-UHFFFAOYSA-N 0 0 443.425 4.482 50 0 IIAARN O=c1c(Cl)c(N(C[C@H]2CCCO2)C2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000078903410 569320228 /nfs/dbraw/zinc/32/02/28/569320228.db2.gz LOYWFILNHDEDGU-OAHLLOKOSA-N 0 0 442.869 4.228 50 0 IIAARN Cc1cc([C@](C)(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(C)o1 ZINC000078939898 569320316 /nfs/dbraw/zinc/32/03/16/569320316.db2.gz CGFBGKVZCUHRCB-HSZRJFAPSA-N 0 0 441.528 4.441 50 0 IIAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3CO)[C@@H]2c2cccs2)cc1 ZINC000078939197 569320317 /nfs/dbraw/zinc/32/03/17/569320317.db2.gz NTYQIPALEXYPPD-ZJSXRUAMSA-N 0 0 434.561 4.350 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@](C)(O)C2CCCC2)c(OC)c1 ZINC000078947339 569320350 /nfs/dbraw/zinc/32/03/50/569320350.db2.gz VAZXCKSLBVRRKK-AREMUKBSSA-N 0 0 449.551 4.228 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(Cc2nnc(Cc3ccccc3)o2)C2(CCCCC2)C1 ZINC000078970180 569320995 /nfs/dbraw/zinc/32/09/95/569320995.db2.gz WMBWYPUVMDQBJT-UHFFFAOYSA-N 0 0 426.561 4.416 50 0 IIAARN COc1cc(-c2nc(CSc3nc4ccc(C)cc4c(=O)n3C)cs2)ccc1O ZINC000078995289 569321608 /nfs/dbraw/zinc/32/16/08/569321608.db2.gz KZCHZPYVGWYMHB-UHFFFAOYSA-N 0 0 425.535 4.372 50 0 IIAARN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000079019682 569322394 /nfs/dbraw/zinc/32/23/94/569322394.db2.gz RYHDBMBAWBARSB-IBGZPJMESA-N 0 0 426.517 4.172 50 0 IIAARN Cn1cc([C@@H]2CN(C(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)CCO2)cn1 ZINC000079050410 569323287 /nfs/dbraw/zinc/32/32/87/569323287.db2.gz UTFHBPIVJHYKRT-FQEVSTJZSA-N 0 0 430.533 4.424 50 0 IIAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000079064655 569324318 /nfs/dbraw/zinc/32/43/18/569324318.db2.gz PTTYFBYZXSPRPY-INIZCTEOSA-N 0 0 430.302 4.007 50 0 IIAARN Cn1nnc2cc(CSc3nnc(-c4c[nH]c5ccccc54)n3C[C@@H]3CCCO3)ccc21 ZINC000079105108 569325735 /nfs/dbraw/zinc/32/57/35/569325735.db2.gz YKOKUMNNEBAICJ-INIZCTEOSA-N 0 0 445.552 4.179 50 0 IIAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000079188278 569327794 /nfs/dbraw/zinc/32/77/94/569327794.db2.gz HGRVYFIKNDRHIZ-OFNKIYASSA-N 0 0 438.476 4.292 50 0 biogenic IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCCC2 ZINC000079479322 569330892 /nfs/dbraw/zinc/33/08/92/569330892.db2.gz INJLPCKCNBTPJB-FQEVSTJZSA-N 0 0 439.581 4.159 50 0 IIAARN Cc1nn(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)c(C)c1Br ZINC000079488020 569331164 /nfs/dbraw/zinc/33/11/64/569331164.db2.gz MOQMJOGSATUXMI-UHFFFAOYSA-N 0 0 442.273 4.038 50 0 IIAARN CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000002463282 569331656 /nfs/dbraw/zinc/33/16/56/569331656.db2.gz VQXYJWSCKBITQW-QRWLVFNGSA-N 0 0 446.569 4.474 50 0 IIAARN CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000002463655 569331773 /nfs/dbraw/zinc/33/17/73/569331773.db2.gz QTJXAPFLMSVBNN-QFIPXVFZSA-N 0 0 436.533 4.479 50 0 IIAARN O=C(NC(NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2)OCc1ccccc1 ZINC000020035736 569332772 /nfs/dbraw/zinc/33/27/72/569332772.db2.gz WEBSHHKYEGUFGG-UHFFFAOYSA-N 0 0 434.448 4.267 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OC(=O)CCN4CCOCC4)[C@@]3(C)CC[C@H]21 ZINC000020111502 569334618 /nfs/dbraw/zinc/33/46/18/569334618.db2.gz UXZOQOXHDQJUIB-YLLXKFEGSA-N 0 0 427.585 4.185 50 0 biogenic IIAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000094993105 569355733 /nfs/dbraw/zinc/35/57/33/569355733.db2.gz HAMDGLWCGKRKIN-JPYJTQIMSA-N 0 0 434.536 4.365 50 0 IIAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000020211572 569356145 /nfs/dbraw/zinc/35/61/45/569356145.db2.gz DOVOPYHMWLSGSD-SFHVURJKSA-N 0 0 427.456 4.338 50 0 IIAARN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214423 569356447 /nfs/dbraw/zinc/35/64/47/569356447.db2.gz APJIVZYSOKFTMS-XMMPIXPASA-N 0 0 449.551 4.098 50 0 IIAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)sc21 ZINC000020237860 569357466 /nfs/dbraw/zinc/35/74/66/569357466.db2.gz PCCSGWONXTVYKK-UHFFFAOYSA-N 0 0 434.540 4.399 50 0 IIAARN CCN1c2cc(C(=O)NCc3ccccc3Cl)ccc2[S@@](=O)c2ccccc2C1=O ZINC000020242877 569358365 /nfs/dbraw/zinc/35/83/65/569358365.db2.gz HWJUIPHFCWMHOL-SSEXGKCCSA-N 0 0 438.936 4.417 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000020284199 569358889 /nfs/dbraw/zinc/35/88/89/569358889.db2.gz YEDQQXKOMOCBCT-QHCPKHFHSA-N 0 0 434.536 4.400 50 0 IIAARN CCOC(=O)C1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020381140 569362613 /nfs/dbraw/zinc/36/26/13/569362613.db2.gz QCVGNFQNZAWYLK-UHFFFAOYSA-N 0 0 438.549 4.156 50 0 IIAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCCCCC2)cc1 ZINC000020381704 569362637 /nfs/dbraw/zinc/36/26/37/569362637.db2.gz JOVZUGYHVOYYKN-UHFFFAOYSA-N 0 0 426.538 4.465 50 0 IIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000095389778 569363408 /nfs/dbraw/zinc/36/34/08/569363408.db2.gz AYNYENILPVEVGH-OAHLLOKOSA-N 0 0 441.329 4.305 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2ccc(CSc3nccn3C)o2)nc1C(C)C ZINC000095448243 569367637 /nfs/dbraw/zinc/36/76/37/569367637.db2.gz LNCVWILHXBEBDZ-UHFFFAOYSA-N 0 0 434.543 4.314 50 0 IIAARN CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000095471647 569372001 /nfs/dbraw/zinc/37/20/01/569372001.db2.gz LLBWYAZLSLYNTL-UHFFFAOYSA-N 0 0 437.295 4.457 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)[nH]nc1-c1ccc(Cl)cc1)CC2 ZINC000095472799 569372120 /nfs/dbraw/zinc/37/21/20/569372120.db2.gz GRYMFRIEEXLTQZ-UHFFFAOYSA-N 0 0 425.916 4.183 50 0 IIAARN CC1(C)Cc2c3c(NC(=O)c4ccccc4)nsc3nc(N3CCOCC3)c2CS1 ZINC000095854206 569375127 /nfs/dbraw/zinc/37/51/27/569375127.db2.gz KGKKABDWTPBLFA-UHFFFAOYSA-N 0 0 440.594 4.348 50 0 IIAARN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H](C)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000095991548 569378243 /nfs/dbraw/zinc/37/82/43/569378243.db2.gz YGVHUMJIIPMPEH-OAHLLOKOSA-N 0 0 434.367 4.400 50 0 IIAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000096011784 569379949 /nfs/dbraw/zinc/37/99/49/569379949.db2.gz LNMTYAFMOIMVQV-LJQANCHMSA-N 0 0 438.528 4.319 50 0 IIAARN Brc1cnc(CN(CCc2ccccc2)[C@H]2CCOC2)c(Br)c1 ZINC000096013609 569380294 /nfs/dbraw/zinc/38/02/94/569380294.db2.gz ZANZNSAMYHBPGM-INIZCTEOSA-N 0 0 440.179 4.440 50 0 IIAARN CCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1F ZINC000096097193 569381439 /nfs/dbraw/zinc/38/14/39/569381439.db2.gz PFUPGSMQWKXIPR-UHFFFAOYSA-N 0 0 425.528 4.057 50 0 IIAARN COc1cccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)c1 ZINC000096099396 569381586 /nfs/dbraw/zinc/38/15/86/569381586.db2.gz FSSINTOQLCLYMM-UHFFFAOYSA-N 0 0 435.545 4.441 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000096103645 569382000 /nfs/dbraw/zinc/38/20/00/569382000.db2.gz ROJBLBAAKVHOKP-UHFFFAOYSA-N 0 0 432.364 4.498 50 0 IIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2)cc1 ZINC000096114532 569382890 /nfs/dbraw/zinc/38/28/90/569382890.db2.gz IJUVEXNJNLIRLS-QPPBQGQZSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(ccn3CC(C)C)c1)C=C2 ZINC000096115119 569383216 /nfs/dbraw/zinc/38/32/16/569383216.db2.gz FSXGQVWOMLYEAB-UHFFFAOYSA-N 0 0 447.535 4.309 50 0 biogenic IIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N[C@@H]1CCOC(C)(C)C1)COC2=O ZINC000096116042 569383439 /nfs/dbraw/zinc/38/34/39/569383439.db2.gz UKHLKGDSYNFLLB-SXKJYUOZSA-N 0 0 445.556 4.025 50 0 biogenic IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096116235 569383666 /nfs/dbraw/zinc/38/36/66/569383666.db2.gz CAIIRGHSRSJRAG-URXFXBBRSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN Cc1cccc2cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117403 569384087 /nfs/dbraw/zinc/38/40/87/569384087.db2.gz RZMRARGSWYRBCO-BEFAXECRSA-N 0 0 438.553 4.343 50 0 IIAARN O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000096121511 569385074 /nfs/dbraw/zinc/38/50/74/569385074.db2.gz UYVHCRONJAZCNP-UHFFFAOYSA-N 0 0 430.430 4.153 50 0 IIAARN CN(CCCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1 ZINC000096124577 569385551 /nfs/dbraw/zinc/38/55/51/569385551.db2.gz VZQKVKQHZVOYQK-JZJYNLBNSA-N 0 0 449.576 4.356 50 0 IIAARN COc1cccc(C2=N/C(=C\c3c(C)nn(Cc4ccc(F)cc4)c3Cl)C(=O)O2)c1 ZINC000096134147 569385903 /nfs/dbraw/zinc/38/59/03/569385903.db2.gz MJRMVBBYBOSWET-ODLFYWEKSA-N 0 0 425.847 4.385 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000096221723 569387017 /nfs/dbraw/zinc/38/70/17/569387017.db2.gz OFTOGHFILWTWMP-OAQYLSRUSA-N 0 0 432.476 4.164 50 0 biogenic IIAARN COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096222562 569387175 /nfs/dbraw/zinc/38/71/75/569387175.db2.gz DAHOWRPOKVPCDF-LJQANCHMSA-N 0 0 442.423 4.393 50 0 biogenic IIAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)C(C)C)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275730 569388394 /nfs/dbraw/zinc/38/83/94/569388394.db2.gz JYQPJSJDULDEJA-UHFFFAOYSA-N 0 0 446.595 4.370 50 0 IIAARN CCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000096276358 569388504 /nfs/dbraw/zinc/38/85/04/569388504.db2.gz UTDNBFAPWFZYIE-UHFFFAOYSA-N 0 0 430.483 4.307 50 0 IIAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccccc1-c1nc2ccc(C)cc2o1 ZINC000096279079 569389182 /nfs/dbraw/zinc/38/91/82/569389182.db2.gz VUKCREBFMLIBSS-UHFFFAOYSA-N 0 0 429.475 4.419 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000096281397 569389921 /nfs/dbraw/zinc/38/99/21/569389921.db2.gz HTAYWXCJRHXRJJ-ZDUSSCGKSA-N 0 0 427.220 4.460 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)C(C)C ZINC000096290333 569390814 /nfs/dbraw/zinc/39/08/14/569390814.db2.gz WLDZFTBARFMBJY-INIZCTEOSA-N 0 0 437.533 4.385 50 0 IIAARN O=C(Cc1ccc(F)cc1)N(CCc1nc(-c2ccncc2)no1)CCc1ccccc1 ZINC000096290534 569390874 /nfs/dbraw/zinc/39/08/74/569390874.db2.gz CYDLJYRAHNQRGJ-UHFFFAOYSA-N 0 0 430.483 4.127 50 0 IIAARN COc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)c1 ZINC000096292877 569391369 /nfs/dbraw/zinc/39/13/69/569391369.db2.gz YQSHVOAAGCIVNI-HSZRJFAPSA-N 0 0 443.503 4.362 50 0 IIAARN CCCCN(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(OC)cc1 ZINC000096293861 569391672 /nfs/dbraw/zinc/39/16/72/569391672.db2.gz RRKHCBVNPHPDEM-UHFFFAOYSA-N 0 0 439.512 4.247 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C\c1c(C)nn(C)c1C)CC2 ZINC000096295468 569391924 /nfs/dbraw/zinc/39/19/24/569391924.db2.gz AVHMNFOSLGJTSD-HMLKYZKVSA-N 0 0 437.565 4.303 50 0 IIAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F ZINC000096316801 569392850 /nfs/dbraw/zinc/39/28/50/569392850.db2.gz IUHQATALBCJBFN-UHFFFAOYSA-N 0 0 436.531 4.448 50 0 IIAARN CC[C@H](C)c1nc(COC)c(Cc2cccc(C)c2)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000096317446 569393545 /nfs/dbraw/zinc/39/35/45/569393545.db2.gz VXMVINQVIZWMRF-IBGZPJMESA-N 0 0 436.600 4.094 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(Cl)cc3)c4=O)n2)c1 ZINC000096320216 569394043 /nfs/dbraw/zinc/39/40/43/569394043.db2.gz SZVPXNCOQLXBJE-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN Cc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)cc1 ZINC000096322335 569394575 /nfs/dbraw/zinc/39/45/75/569394575.db2.gz FFTMSIUGWGWZIP-UHFFFAOYSA-N 0 0 444.926 4.255 50 0 IIAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)NCc5ccccc5F)n4ccn3n2)c1 ZINC000096322404 569394589 /nfs/dbraw/zinc/39/45/89/569394589.db2.gz SWYIPDSBPBWYCT-UHFFFAOYSA-N 0 0 442.498 4.049 50 0 IIAARN CSc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000096322307 569394608 /nfs/dbraw/zinc/39/46/08/569394608.db2.gz FSXQCEDAWVZIAY-UHFFFAOYSA-N 0 0 442.548 4.015 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccs4)no3)o2)cc1OC ZINC000096322691 569394803 /nfs/dbraw/zinc/39/48/03/569394803.db2.gz OUVANVPAFWEFAY-UHFFFAOYSA-N 0 0 432.479 4.049 50 0 IIAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccc(Cl)cc4OC)no3)[nH]c2c1 ZINC000096349501 569397317 /nfs/dbraw/zinc/39/73/17/569397317.db2.gz ARRQUEKNACDGRQ-UHFFFAOYSA-N 0 0 440.887 4.203 50 0 IIAARN Cc1cccc(CNC(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000096386339 569398509 /nfs/dbraw/zinc/39/85/09/569398509.db2.gz UWOJIEFKOCHECJ-UHFFFAOYSA-N 0 0 426.973 4.362 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1 ZINC000096386515 569398646 /nfs/dbraw/zinc/39/86/46/569398646.db2.gz BZKWCGDFLSNDNC-UHFFFAOYSA-N 0 0 425.554 4.494 50 0 IIAARN CCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398566 569399715 /nfs/dbraw/zinc/39/97/15/569399715.db2.gz PJXDMUNRJCUHIM-UHFFFAOYSA-N 0 0 440.301 4.470 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000096398952 569399809 /nfs/dbraw/zinc/39/98/09/569399809.db2.gz YJKNKYXEONZAKC-UHFFFAOYSA-N 0 0 425.485 4.045 50 0 IIAARN CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000096592590 569401938 /nfs/dbraw/zinc/40/19/38/569401938.db2.gz OVSCVCLNZTVYMU-UHFFFAOYSA-N 0 0 448.393 4.247 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)NCCc1ccc(Cl)cc1 ZINC000002459967 569403566 /nfs/dbraw/zinc/40/35/66/569403566.db2.gz KVUGZOOLLSFCSG-UHFFFAOYSA-N 0 0 446.956 4.152 50 0 IIAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002465605 569403806 /nfs/dbraw/zinc/40/38/06/569403806.db2.gz HDAONVWECJBZOZ-UHFFFAOYSA-N 0 0 430.464 4.493 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N(C)C3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468384 569403945 /nfs/dbraw/zinc/40/39/45/569403945.db2.gz BWYBCSFHWCQTHK-RPBOFIJWSA-N 0 0 448.563 4.332 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)CC1 ZINC000027983269 569405339 /nfs/dbraw/zinc/40/53/39/569405339.db2.gz BKWHEWFALHGKAP-UHFFFAOYSA-N 0 0 432.520 4.318 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000002503516 569406079 /nfs/dbraw/zinc/40/60/79/569406079.db2.gz OFFPANZCYZFRBA-NRFANRHFSA-N 0 0 446.569 4.333 50 0 IIAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cncc(-c4cccs4)c3)n(C)n2)c1 ZINC000225664817 569406404 /nfs/dbraw/zinc/40/64/04/569406404.db2.gz CVIJQJPPTPLPLT-UHFFFAOYSA-N 0 0 434.521 4.158 50 0 IIAARN Cc1nc(N2CCC(NC(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)cc(C(F)(F)F)n1 ZINC000225727158 569407551 /nfs/dbraw/zinc/40/75/51/569407551.db2.gz IRNRKUCQPXFTBV-LBPRGKRZSA-N 0 0 442.869 4.010 50 0 IIAARN Cc1nc(N2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)cc(C(F)(F)F)n1 ZINC000225726848 569407570 /nfs/dbraw/zinc/40/75/70/569407570.db2.gz DQXBWQNJFPNGPT-UHFFFAOYSA-N 0 0 431.462 4.003 50 0 IIAARN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000225757509 569408183 /nfs/dbraw/zinc/40/81/83/569408183.db2.gz SFNPNZSLIDAISB-UHFFFAOYSA-N 0 0 436.516 4.066 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4n[nH]c(=O)n4C4CC4)cc3)sc2c1 ZINC000002629046 569411960 /nfs/dbraw/zinc/41/19/60/569411960.db2.gz SJVHLMGPRVZMCJ-UHFFFAOYSA-N 0 0 437.550 4.222 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(C)cc2)no1 ZINC000002629136 569412009 /nfs/dbraw/zinc/41/20/09/569412009.db2.gz VVZIMYZDQLSQJQ-UHFFFAOYSA-N 0 0 440.912 4.375 50 0 IIAARN COc1cc(OC)c(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1OC ZINC000002631501 569412403 /nfs/dbraw/zinc/41/24/03/569412403.db2.gz KMWZKUGBDGIWSC-UHFFFAOYSA-N 0 0 443.521 4.280 50 0 IIAARN O=C(CCC(=O)c1ccc(Cl)cc1)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000002640013 569413471 /nfs/dbraw/zinc/41/34/71/569413471.db2.gz LMCVTZGBWNBIPR-UHFFFAOYSA-N 0 0 430.913 4.223 50 0 IIAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C4CCCCC4)cc3)ccc21 ZINC000670418845 569414228 /nfs/dbraw/zinc/41/42/28/569414228.db2.gz UJHCGMYLGBZCMZ-UHFFFAOYSA-N 0 0 442.581 4.001 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)c1ccccc1F)CC2 ZINC000002649046 569414484 /nfs/dbraw/zinc/41/44/84/569414484.db2.gz WYPIMQSQHLUKST-VWLOTQADSA-N 0 0 449.478 4.174 50 0 IIAARN CCN(CC(=O)Nc1ccccc1OC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000002657243 569415623 /nfs/dbraw/zinc/41/56/23/569415623.db2.gz BOAADJXRBHYSIA-UHFFFAOYSA-N 0 0 448.548 4.121 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3cccc(C)c3)o2)c1C ZINC000002658983 569415772 /nfs/dbraw/zinc/41/57/72/569415772.db2.gz YCGFTEFMARQCJZ-UHFFFAOYSA-N 0 0 429.498 4.054 50 0 IIAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1ccccc1F ZINC000002692033 569417135 /nfs/dbraw/zinc/41/71/35/569417135.db2.gz HTZDYASCPNKIAU-UHFFFAOYSA-N 0 0 441.455 4.169 50 0 IIAARN COc1ccc(S(=O)(=O)c2cn(Cc3ccccc3F)c3ccc(F)cc3c2=O)cc1 ZINC000002693494 569417216 /nfs/dbraw/zinc/41/72/16/569417216.db2.gz CIGLXWKXMGSSGI-UHFFFAOYSA-N 0 0 441.455 4.169 50 0 IIAARN CC[C@H](Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1)C(=O)OC ZINC000002706203 569417578 /nfs/dbraw/zinc/41/75/78/569417578.db2.gz RYOQNNHEICCYJT-AWEZNQCLSA-N 0 0 435.962 4.047 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2oc1-c1ccccc1 ZINC000002725880 569418544 /nfs/dbraw/zinc/41/85/44/569418544.db2.gz JEGQQPCTJDUJHA-SFHVURJKSA-N 0 0 427.456 4.338 50 0 IIAARN COc1ccccc1OCc1ccc(C(=O)NCCCn2cc(Br)cn2)cc1 ZINC000002730018 569418794 /nfs/dbraw/zinc/41/87/94/569418794.db2.gz VCLHRVPNHSSEFC-UHFFFAOYSA-N 0 0 444.329 4.053 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000230060790 569419902 /nfs/dbraw/zinc/41/99/02/569419902.db2.gz PMAIEBORFLWZNK-FGZHOGPDSA-N 0 0 443.569 4.077 50 0 IIAARN Cc1ccc(/C=C2/N=C(SCC(=O)NCc3ccccc3)N(CC(C)C)C2=O)s1 ZINC000002786079 569421307 /nfs/dbraw/zinc/42/13/07/569421307.db2.gz JOASYOCDNPQGAY-YBFXNURJSA-N 0 0 427.595 4.301 50 0 IIAARN CCOc1ccccc1N1CCN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000028875343 569423006 /nfs/dbraw/zinc/42/30/06/569423006.db2.gz BHOGACCUFINLBT-UHFFFAOYSA-N 0 0 435.524 4.232 50 0 IIAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3cnc4ccccc4c3)c2c1C ZINC000002912193 569425027 /nfs/dbraw/zinc/42/50/27/569425027.db2.gz HXGBCSYXRDRLAI-UHFFFAOYSA-N 0 0 436.493 4.184 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N2CCn3c4ccccc4nc32)c1C ZINC000002928805 569425989 /nfs/dbraw/zinc/42/59/89/569425989.db2.gz OJAMKQPVCYNWKT-UHFFFAOYSA-N 0 0 442.519 4.427 50 0 IIAARN CCOC(=O)CNC(=O)c1sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c2c1C ZINC000002937693 569426386 /nfs/dbraw/zinc/42/63/86/569426386.db2.gz RJJFFMUQPQQWEY-UHFFFAOYSA-N 0 0 440.569 4.492 50 0 IIAARN Cc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000002938305 569426397 /nfs/dbraw/zinc/42/63/97/569426397.db2.gz SVWSDJCLIVHABM-UHFFFAOYSA-N 0 0 442.625 4.321 50 0 IIAARN CC(C)[C@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000029118901 569427223 /nfs/dbraw/zinc/42/72/23/569427223.db2.gz JJDNJJCFCKLBKB-QFIPXVFZSA-N 0 0 434.506 4.126 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)sc2c1 ZINC000056919019 569427699 /nfs/dbraw/zinc/42/76/99/569427699.db2.gz MQLDUJCWMXZBAT-UHFFFAOYSA-N 0 0 445.547 4.087 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N(Cc4ccco4)C4CC4)cc3C2=O)cc1 ZINC000029269966 569429374 /nfs/dbraw/zinc/42/93/74/569429374.db2.gz ZGOKXDOVCYVGHK-UHFFFAOYSA-N 0 0 430.460 4.284 50 0 IIAARN CCOc1ccccc1N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000057315219 569430775 /nfs/dbraw/zinc/43/07/75/569430775.db2.gz MVDLAEDHNOPEEG-UHFFFAOYSA-N 0 0 443.345 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COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Cl)c1 ZINC000003223932 569442107 /nfs/dbraw/zinc/44/21/07/569442107.db2.gz FEXNXKNJXDXBCZ-UHFFFAOYSA-N 0 0 434.879 4.292 50 0 IIAARN Nc1nnc(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)s1 ZINC000003227085 569442196 /nfs/dbraw/zinc/44/21/96/569442196.db2.gz HPPFZZGYSDHXBZ-ROUUACIJSA-N 0 0 440.575 4.140 50 0 IIAARN Cc1nn(-c2ccccc2)c(N)c1[C@]1(O)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000003230640 569442304 /nfs/dbraw/zinc/44/23/04/569442304.db2.gz UIJWBGUNSLVLJC-RUZDIDTESA-N 0 0 444.922 4.199 50 0 IIAARN O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003269070 569443484 /nfs/dbraw/zinc/44/34/84/569443484.db2.gz MJMOTIZGGFKZSC-UHFFFAOYSA-N 0 0 425.165 4.271 50 0 IIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003274555 569443612 /nfs/dbraw/zinc/44/36/12/569443612.db2.gz ZXJRCNUHKAPASV-UHFFFAOYSA-N 0 0 431.288 4.177 50 0 IIAARN COc1c(Cl)cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1Cl ZINC000057996542 569444394 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NC(=O)c1c2c(sc1NC(=O)CSc1nn(-c3ccccc3)c(=S)s1)CCC2 ZINC000003333076 569446535 /nfs/dbraw/zinc/44/65/35/569446535.db2.gz BBCSVSVGPGISEN-UHFFFAOYSA-N 0 0 448.620 4.043 50 0 IIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000003335417 569446623 /nfs/dbraw/zinc/44/66/23/569446623.db2.gz AOROOWLPOAMWAT-UHFFFAOYSA-N 0 0 431.579 4.455 50 0 IIAARN Cc1sc2[nH]c(CSc3nc4ccccc4c(=O)n3CC(C)C)nc(=O)c2c1C ZINC000003334731 569446625 /nfs/dbraw/zinc/44/66/25/569446625.db2.gz VPCCTRXTFXRMCV-UHFFFAOYSA-N 0 0 426.567 4.260 50 0 IIAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)N1CC(=O)Nc2ccccc21 ZINC000003345998 569447121 /nfs/dbraw/zinc/44/71/21/569447121.db2.gz LEOUKZFTKYPBQE-UHFFFAOYSA-N 0 0 435.288 4.350 50 0 IIAARN Cc1cccc(NC(=O)CNC(=O)COc2ncnc3sc(-c4ccccc4)cc32)c1C ZINC000003345509 569447126 /nfs/dbraw/zinc/44/71/26/569447126.db2.gz INGXIEKDCCYULM-UHFFFAOYSA-N 0 0 446.532 4.109 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(C)c1nc(-c2cccnc2)nc2ccccc21 ZINC000003348135 569447267 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CC[C@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 ZINC000008707419 569470641 /nfs/dbraw/zinc/47/06/41/569470641.db2.gz NVGBSWZXUCGNNS-INIZCTEOSA-N 0 0 434.725 4.024 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000008717648 569471102 /nfs/dbraw/zinc/47/11/02/569471102.db2.gz HNISHCOAQQPVDG-PXDATVDWSA-N 0 0 445.450 4.192 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c(C)n1C ZINC000008719660 569471421 /nfs/dbraw/zinc/47/14/21/569471421.db2.gz CXNOIMIBLCZJRP-UHFFFAOYSA-N 0 0 437.613 4.243 50 0 IIAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008720437 569471591 /nfs/dbraw/zinc/47/15/91/569471591.db2.gz HLKYJSGEFDAECN-NRFANRHFSA-N 0 0 444.560 4.468 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1OC ZINC000008725461 569472156 /nfs/dbraw/zinc/47/21/56/569472156.db2.gz XPZPDHJYUOCELE-UHFFFAOYSA-N 0 0 445.475 4.147 50 0 IIAARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000008726106 569472237 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0 IIAARN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000008750845 569473419 /nfs/dbraw/zinc/47/34/19/569473419.db2.gz DCGPDBWRPAVHSN-UHFFFAOYSA-N 0 0 438.574 4.408 50 0 IIAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC ZINC000008751993 569473476 /nfs/dbraw/zinc/47/34/76/569473476.db2.gz OHQPRDAEDIMMEU-UHFFFAOYSA-N 0 0 449.503 4.383 50 0 biogenic IIAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc1c2C ZINC000008751952 569473485 /nfs/dbraw/zinc/47/34/85/569473485.db2.gz HNZBBQLWXLGCMR-UHFFFAOYSA-N 0 0 433.460 4.442 50 0 IIAARN COc1ccccc1OCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 ZINC000008752659 569473588 /nfs/dbraw/zinc/47/35/88/569473588.db2.gz RPTIWTNZGNFQAV-UHFFFAOYSA-N 0 0 433.508 4.470 50 0 IIAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008760869 569474221 /nfs/dbraw/zinc/47/42/21/569474221.db2.gz OBYUYTZHEGROJS-LBPRGKRZSA-N 0 0 436.459 4.040 50 0 IIAARN Cc1oc2cc(OCC(=O)NCCc3ccc(O)cc3)ccc2c(=O)c1-c1ccccc1 ZINC000008765311 569474750 /nfs/dbraw/zinc/47/47/50/569474750.db2.gz SMRJTFZOPSSIGW-UHFFFAOYSA-N 0 0 429.472 4.212 50 0 biogenic IIAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)c1 ZINC000008767147 569474865 /nfs/dbraw/zinc/47/48/65/569474865.db2.gz RPFSCGYUOBNPFF-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN Cc1sc2ncn(CCCN3C(=O)c4ccccc4C3=O)c(=O)c2c1-c1ccccc1 ZINC000008779652 569475510 /nfs/dbraw/zinc/47/55/10/569475510.db2.gz CQXIFUCLRDROKE-UHFFFAOYSA-N 0 0 429.501 4.120 50 0 IIAARN CC[C@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=O ZINC000008790814 569476119 /nfs/dbraw/zinc/47/61/19/569476119.db2.gz GZZRSOQGESJHHY-GXZWQRSESA-N 0 0 430.508 4.151 50 0 biogenic IIAARN Cc1c(S(=O)(=O)CCNC(=O)NC(C)(C)C)c2ccccc2n1Cc1ccc(F)cc1 ZINC000008808569 569476512 /nfs/dbraw/zinc/47/65/12/569476512.db2.gz UDVPMXGITJCZSE-UHFFFAOYSA-N 0 0 445.560 4.009 50 0 IIAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)C(C)C ZINC000008825431 569477380 /nfs/dbraw/zinc/47/73/80/569477380.db2.gz JIYIOVRYTDEQRH-XMMPIXPASA-N 0 0 436.552 4.450 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)n1-c1nccs1 ZINC000008825565 569477396 /nfs/dbraw/zinc/47/73/96/569477396.db2.gz XWIYPWRJNFYIOA-UHFFFAOYSA-N 0 0 442.585 4.260 50 0 IIAARN COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)ccc1O ZINC000008845549 569478782 /nfs/dbraw/zinc/47/87/82/569478782.db2.gz BCNAMVHPRBPTGM-RUZDIDTESA-N 0 0 441.487 4.284 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000008850342 569479325 /nfs/dbraw/zinc/47/93/25/569479325.db2.gz DTCIPGYXSKVERB-ZDUSSCGKSA-N 0 0 443.550 4.173 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCC3CCCCC3)cs2)cc1 ZINC000008851660 569479395 /nfs/dbraw/zinc/47/93/95/569479395.db2.gz MWLRRHPHUZKKKQ-UHFFFAOYSA-N 0 0 433.599 4.122 50 0 IIAARN Cc1ccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852803 569479511 /nfs/dbraw/zinc/47/95/11/569479511.db2.gz GEENGBSBSKWINC-UHFFFAOYSA-N 0 0 425.579 4.350 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc2NC1=O ZINC000008861441 569479977 /nfs/dbraw/zinc/47/99/77/569479977.db2.gz CSFKNTWLVSNKPO-HNNXBMFYSA-N 0 0 449.532 4.223 50 0 IIAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000008862151 569480070 /nfs/dbraw/zinc/48/00/70/569480070.db2.gz UVHJVMSBCKVKJD-JOCHJYFZSA-N 0 0 441.409 4.264 50 0 IIAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008862106 569480104 /nfs/dbraw/zinc/48/01/04/569480104.db2.gz LTEHSQPKSIXTIX-OAHLLOKOSA-N 0 0 430.551 4.026 50 0 IIAARN Cc1cccc(C)c1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000008868378 569480358 /nfs/dbraw/zinc/48/03/58/569480358.db2.gz HKKVZPYIGSCDMD-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN CCCOc1ccc(C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869709 569480503 /nfs/dbraw/zinc/48/05/03/569480503.db2.gz VRPSAVUGHNWDQO-QFIPXVFZSA-N 0 0 437.561 4.458 50 0 IIAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccccc4F)c12)OC(C)(C)CC3 ZINC000008876890 569481115 /nfs/dbraw/zinc/48/11/15/569481115.db2.gz OEFAEBAJZISZMM-UHFFFAOYSA-N 0 0 439.483 4.082 50 0 biogenic IIAARN CC(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008879302 569481371 /nfs/dbraw/zinc/48/13/71/569481371.db2.gz SRCXRXWEFDJCGL-QFIPXVFZSA-N 0 0 432.524 4.378 50 0 biogenic IIAARN CC(=O)[C@@H]1N2c3ccccc3C=C[C@@H]2[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000039327447 569481491 /nfs/dbraw/zinc/48/14/91/569481491.db2.gz ZEGVXLUHOKDANN-SEDKXUNQSA-N 0 0 434.495 4.249 50 0 IIAARN C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(F)c(F)c1F ZINC000039561111 569481743 /nfs/dbraw/zinc/48/17/43/569481743.db2.gz RHPPNMCLNNTFQG-SCSAIBSYSA-N 0 0 442.608 4.225 50 0 IIAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cc(=O)n2ccsc2n1 ZINC000039616191 569481834 /nfs/dbraw/zinc/48/18/34/569481834.db2.gz LVDBMHPHFXDHTO-UHFFFAOYSA-N 0 0 435.530 4.492 50 0 IIAARN C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000040005355 569482427 /nfs/dbraw/zinc/48/24/27/569482427.db2.gz TURBMGDMRFQURL-JTQLQIEISA-N 0 0 447.335 4.390 50 0 IIAARN Cc1c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)sc2ncn(C)c(=O)c12 ZINC000040005420 569482474 /nfs/dbraw/zinc/48/24/74/569482474.db2.gz NFQHELZBSIIFKM-UHFFFAOYSA-N 0 0 448.335 4.107 50 0 IIAARN CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(C)n1 ZINC000040024691 569482769 /nfs/dbraw/zinc/48/27/69/569482769.db2.gz SJCZEEZKEGQWOA-UHFFFAOYSA-N 0 0 426.567 4.445 50 0 IIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccc(-c2ccccc2)cc1 ZINC000008882245 569482920 /nfs/dbraw/zinc/48/29/20/569482920.db2.gz VYZPXRXCWSQCET-UHFFFAOYSA-N 0 0 447.491 4.359 50 0 IIAARN COc1cccc2cc(-c3nnc(S[C@H](C)c4nc5ccccc5c(=O)[nH]4)n3C)oc21 ZINC000008884850 569483174 /nfs/dbraw/zinc/48/31/74/569483174.db2.gz MNUDQJMAFJKKNV-GFCCVEGCSA-N 0 0 433.493 4.327 50 0 IIAARN CN(c1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000040039221 569483328 /nfs/dbraw/zinc/48/33/28/569483328.db2.gz QJRBSVLLKQKGQY-UHFFFAOYSA-N 0 0 440.365 4.372 50 0 IIAARN COC(=O)c1cnc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)s1 ZINC000040050885 569484291 /nfs/dbraw/zinc/48/42/91/569484291.db2.gz HXITTWRDGAQLQW-UHFFFAOYSA-N 0 0 428.857 4.281 50 0 IIAARN CCS(=O)(=O)Nc1cccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 ZINC000040057501 569484585 /nfs/dbraw/zinc/48/45/85/569484585.db2.gz XNPYQKYGZPYONP-UHFFFAOYSA-N 0 0 427.551 4.083 50 0 IIAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000040060472 569484856 /nfs/dbraw/zinc/48/48/56/569484856.db2.gz UZACSMCEHVECTE-UHFFFAOYSA-N 0 0 441.506 4.427 50 0 IIAARN CC(C)c1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCCCC3)cc2)cc1 ZINC000008912320 569484988 /nfs/dbraw/zinc/48/49/88/569484988.db2.gz AHZWODBZLLNYDY-UHFFFAOYSA-N 0 0 431.536 4.261 50 0 IIAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC2CCCCCC2)s1 ZINC000008912403 569485016 /nfs/dbraw/zinc/48/50/16/569485016.db2.gz FCKVMPMDLALHEW-UHFFFAOYSA-N 0 0 442.628 4.213 50 0 IIAARN CCN(CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)c1cccc(C)c1 ZINC000008912747 569485103 /nfs/dbraw/zinc/48/51/03/569485103.db2.gz SXWAONMPQRQCGY-UHFFFAOYSA-N 0 0 438.597 4.088 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918736 569486333 /nfs/dbraw/zinc/48/63/33/569486333.db2.gz VJYHFIHRLZAWIK-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000008922037 569486865 /nfs/dbraw/zinc/48/68/65/569486865.db2.gz XHKYGVFHUMYSDE-XMMPIXPASA-N 0 0 435.863 4.076 50 0 IIAARN C[C@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)c1ccccc1 ZINC000008933039 569487721 /nfs/dbraw/zinc/48/77/21/569487721.db2.gz VBILOWXJQPJYKY-IBGZPJMESA-N 0 0 436.515 4.277 50 0 IIAARN O=C(Oc1cccc2cccnc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000008936044 569488024 /nfs/dbraw/zinc/48/80/24/569488024.db2.gz CMWZABWKYAZDBA-UHFFFAOYSA-N 0 0 430.485 4.205 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000008937845 569488192 /nfs/dbraw/zinc/48/81/92/569488192.db2.gz KGVGUGWNJYXEQN-UHFFFAOYSA-N 0 0 448.585 4.175 50 0 IIAARN CCOc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3C)sc2c1 ZINC000008941750 569488599 /nfs/dbraw/zinc/48/85/99/569488599.db2.gz COAAHFGTIWWYSY-UHFFFAOYSA-N 0 0 445.595 4.207 50 0 IIAARN Nn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000008943231 569488745 /nfs/dbraw/zinc/48/87/45/569488745.db2.gz BLVBGHBPUFLIDQ-LJQANCHMSA-N 0 0 437.475 4.409 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)sc2c1CC[C@H](C)C2 ZINC000008951727 569489934 /nfs/dbraw/zinc/48/99/34/569489934.db2.gz CGFKVIJEIRRQCF-GUYCJALGSA-N 0 0 427.522 4.078 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)sc2c1CC[C@@H](C)C2 ZINC000008951725 569489949 /nfs/dbraw/zinc/48/99/49/569489949.db2.gz CGFKVIJEIRRQCF-DYVFJYSZSA-N 0 0 427.522 4.078 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)Nc1ccc(F)cc1F)c2=O ZINC000008955773 569490190 /nfs/dbraw/zinc/49/01/90/569490190.db2.gz WQNFICJPDPPCEK-UHFFFAOYSA-N 0 0 440.475 4.362 50 0 IIAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(C)cc1 ZINC000008955622 569490196 /nfs/dbraw/zinc/49/01/96/569490196.db2.gz GLNUKVCQRLGURV-HXUWFJFHSA-N 0 0 427.522 4.130 50 0 IIAARN COc1cccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 ZINC000008959124 569490277 /nfs/dbraw/zinc/49/02/77/569490277.db2.gz RMJCJHZLRHRMSA-UHFFFAOYSA-N 0 0 426.513 4.120 50 0 IIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cn4cncn4)cc3)c12 ZINC000040133082 569490409 /nfs/dbraw/zinc/49/04/09/569490409.db2.gz QJANOGLWIVJZMB-UHFFFAOYSA-N 0 0 429.528 4.264 50 0 IIAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040133389 569490477 /nfs/dbraw/zinc/49/04/77/569490477.db2.gz RNDPVMSJZLEKFD-TZMCWYRMSA-N 0 0 428.842 4.122 50 0 IIAARN O=C(NC[C@H]1COc2ccccc2O1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000040138967 569490750 /nfs/dbraw/zinc/49/07/50/569490750.db2.gz RZQVJUMYBOZJPB-FPOVZHCZSA-N 0 0 446.482 4.056 50 0 IIAARN O=C(Nc1cccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1)c1cccs1 ZINC000040135769 569490776 /nfs/dbraw/zinc/49/07/76/569490776.db2.gz IFPHJXNDGLSXCC-UHFFFAOYSA-N 0 0 427.917 4.296 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)N1CCCC1 ZINC000008965661 569491526 /nfs/dbraw/zinc/49/15/26/569491526.db2.gz YSFMXKFRUROBCS-OAHLLOKOSA-N 0 0 427.957 4.201 50 0 IIAARN CCc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cnn1-c1cccc(Cl)c1 ZINC000040142632 569491897 /nfs/dbraw/zinc/49/18/97/569491897.db2.gz CZTHQMUUDFUPPY-HOTGVXAUSA-N 0 0 439.947 4.349 50 0 IIAARN CCc1c(C(=O)N[C@H](C)Cc2ccc(-c3ccccc3)cc2)cnn1-c1ccc(OC)nn1 ZINC000040145881 569492198 /nfs/dbraw/zinc/49/21/98/569492198.db2.gz PMQQZILOSVERAU-GOSISDBHSA-N 0 0 441.535 4.261 50 0 IIAARN CCCn1cc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1=O ZINC000040146309 569492263 /nfs/dbraw/zinc/49/22/63/569492263.db2.gz ONWTYUFJNCFGJI-UHFFFAOYSA-N 0 0 448.548 4.034 50 0 IIAARN O=C(Nc1nccs1)C1CCN(Cn2nc(-c3cccc(Cl)c3)oc2=S)CC1 ZINC000040149163 569492393 /nfs/dbraw/zinc/49/23/93/569492393.db2.gz LKNWKSGLNKYGTG-UHFFFAOYSA-N 0 0 435.962 4.291 50 0 IIAARN 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CC(C)Cn1cnc2nc(CSc3ccccc3NC(=O)c3cccs3)cc(=O)n21 ZINC000021797460 519529724 /nfs/dbraw/zinc/52/97/24/519529724.db2.gz HWPQCKKUWOVBHO-UHFFFAOYSA-N 0 0 439.566 4.153 50 0 IIAARN CC(=O)N1CCN(CC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)CC1 ZINC000035268043 519584473 /nfs/dbraw/zinc/58/44/73/519584473.db2.gz ZRFYZUNIVOPQOD-UHFFFAOYSA-N 0 0 429.564 4.089 50 0 IIAARN CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 ZINC000012422423 519629881 /nfs/dbraw/zinc/62/98/81/519629881.db2.gz HHJWWDDAVVNOTJ-UHFFFAOYSA-N 0 0 438.534 4.478 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cc(C)cc(C)c3)c2)S1 ZINC000015833038 519643491 /nfs/dbraw/zinc/64/34/91/519643491.db2.gz NKTOWICKASGOOR-JOCHJYFZSA-N 0 0 441.553 4.152 50 0 IIAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1F ZINC000021864758 519659706 /nfs/dbraw/zinc/65/97/06/519659706.db2.gz FETBOYDUVBTJJP-RUZDIDTESA-N 0 0 437.515 4.464 50 0 IIAARN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)N[C@H](C)Cc2ccsc2)c1=O ZINC000012219195 519708458 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430.508 4.008 50 0 biogenic IIAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc2s1 ZINC000021352890 519753240 /nfs/dbraw/zinc/75/32/40/519753240.db2.gz NBQUAHIKVBVAOZ-QGZVFWFLSA-N 0 0 436.581 4.233 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021809295 519762182 /nfs/dbraw/zinc/76/21/82/519762182.db2.gz NZMGZIJFAYGAPN-LLJLJFOGSA-N 0 0 445.629 4.427 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855782 519762369 /nfs/dbraw/zinc/76/23/69/519762369.db2.gz CSJZMQJWZXDVPC-VWLOTQADSA-N 0 0 425.573 4.120 50 0 IIAARN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000012137625 519778826 /nfs/dbraw/zinc/77/88/26/519778826.db2.gz LVTDDYOKLAYJHA-UHFFFAOYSA-N 0 0 436.533 4.478 50 0 IIAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000015027254 519818175 /nfs/dbraw/zinc/81/81/75/519818175.db2.gz YKWPZINXLHPLLO-QHCPKHFHSA-N 0 0 437.540 4.215 50 0 IIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1I ZINC000035550869 519825737 /nfs/dbraw/zinc/82/57/37/519825737.db2.gz UVVDKPVTUHAIBW-CKEIUWERSA-N 0 0 444.309 4.452 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000012798690 519877570 /nfs/dbraw/zinc/87/75/70/519877570.db2.gz XNNHIDSQPKVKLD-AREMUKBSSA-N 0 0 443.503 4.228 50 0 IIAARN CCCNC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)Cc1ccco1 ZINC000036012708 519883328 /nfs/dbraw/zinc/88/33/28/519883328.db2.gz UDGNZUQSMGINAH-UHFFFAOYSA-N 0 0 429.473 4.082 50 0 IIAARN CCCC1(CCC)NC(=O)N(CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1=O ZINC000012625128 519888951 /nfs/dbraw/zinc/88/89/51/519888951.db2.gz YCIADFSMWVVFEL-UHFFFAOYSA-N 0 0 441.503 4.125 50 0 IIAARN CCOCCCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc(C)c(C)c1 ZINC000021865751 519891622 /nfs/dbraw/zinc/89/16/22/519891622.db2.gz KYTQEUZHJBKKQE-AREMUKBSSA-N 0 0 449.551 4.327 50 0 IIAARN CCCCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020841888 520096000 /nfs/dbraw/zinc/09/60/00/520096000.db2.gz GXZMLEIDAAUYPJ-UHFFFAOYSA-N 0 0 426.590 4.342 50 0 IIAARN CCCCCNC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063479 520222302 /nfs/dbraw/zinc/22/23/02/520222302.db2.gz MKWHHBYLLYTGEJ-SFHVURJKSA-N 0 0 441.475 4.028 50 0 IIAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000035397970 520360213 /nfs/dbraw/zinc/36/02/13/520360213.db2.gz GZMQMQYOJMZJIY-JOCHJYFZSA-N 0 0 430.552 4.465 50 0 IIAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000022020617 520399782 /nfs/dbraw/zinc/39/97/82/520399782.db2.gz GLYPJJDLAHEMKJ-JLHYYAGUSA-N 0 0 439.489 4.082 50 0 IIAARN CCOC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)N[C@@H]1c1cccs1 ZINC000012483642 520526364 /nfs/dbraw/zinc/52/63/64/520526364.db2.gz PHLVRXPUUMKRIY-MRXNPFEDSA-N 0 0 431.564 4.321 50 0 IIAARN CCOc1c(Br)cc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000012527967 520590968 /nfs/dbraw/zinc/59/09/68/520590968.db2.gz UXAWCAWFDFVWBN-HNNXBMFYSA-N 0 0 426.108 4.464 50 0 IIAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)O1 ZINC000036056932 520605761 /nfs/dbraw/zinc/60/57/61/520605761.db2.gz IJKHXNLCHZCOFH-UZLBHIALSA-N 0 0 425.912 4.471 50 0 IIAARN CCOc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1O ZINC000012928515 520615892 /nfs/dbraw/zinc/61/58/92/520615892.db2.gz XPEVDKPERYZQFD-DHDCSXOGSA-N 0 0 433.892 4.448 50 0 IIAARN CCOC(=O)CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000020938897 520782963 /nfs/dbraw/zinc/78/29/63/520782963.db2.gz XVHYDGBGHWRTTL-NRFANRHFSA-N 0 0 429.879 4.181 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCCC2=CCCCC2)c1 ZINC000012911772 520790342 /nfs/dbraw/zinc/79/03/42/520790342.db2.gz POAPRFBXJDWFHW-UHFFFAOYSA-N 0 0 443.407 4.100 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000014867456 520796295 /nfs/dbraw/zinc/79/62/95/520796295.db2.gz JLMQIZPCZYAOSP-UHFFFAOYSA-N 0 0 443.491 4.054 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)ccn3n2)cc1 ZINC000012414486 520806795 /nfs/dbraw/zinc/80/67/95/520806795.db2.gz FWMHEXACIGFXFV-UHFFFAOYSA-N 0 0 436.899 4.162 50 0 IIAARN CCOC(=O)CSc1cc(C[S@](=O)c2ccc(Cl)cc2)nc(-c2ccccn2)n1 ZINC000012859939 520809494 /nfs/dbraw/zinc/80/94/94/520809494.db2.gz XPUZYVLIKIBQPU-GDLZYMKVSA-N 0 0 447.969 4.155 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2Cc1ccc(OC)c(F)c1 ZINC000012887010 520814201 /nfs/dbraw/zinc/81/42/01/520814201.db2.gz OLCSSCMMKOIDAA-UHFFFAOYSA-N 0 0 442.512 4.178 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)NC(=S)N1C ZINC000035729549 520815335 /nfs/dbraw/zinc/81/53/35/520815335.db2.gz KMIFKLLHVGATLY-HXUWFJFHSA-N 0 0 441.528 4.165 50 0 IIAARN CCOc1ccc(-c2nnc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)o2)cc1 ZINC000021524843 520822956 /nfs/dbraw/zinc/82/29/56/520822956.db2.gz AYTLBFOKDOUDPV-UHFFFAOYSA-N 0 0 440.550 4.376 50 0 IIAARN CCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccccc4F)CC3)n2)cc1OC ZINC000035375091 520828773 /nfs/dbraw/zinc/82/87/73/520828773.db2.gz VQZZAVARDPZODT-UHFFFAOYSA-N 0 0 440.475 4.138 50 0 IIAARN CCN(CC)c1cc(C(C)C)nc(SCc2cccc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000036029273 520876179 /nfs/dbraw/zinc/87/61/79/520876179.db2.gz DBAWPJRSSHFOIT-UHFFFAOYSA-N 0 0 441.645 4.126 50 0 IIAARN CCN(CC)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000012587620 520913157 /nfs/dbraw/zinc/91/31/57/520913157.db2.gz FDKNKWPEYSEJGI-XLNRJJMWSA-N 0 0 428.496 4.416 50 0 IIAARN CCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032949293 520914896 /nfs/dbraw/zinc/91/48/96/520914896.db2.gz RSICAPNDDAWAMB-OAQYLSRUSA-N 0 0 433.504 4.406 50 0 biogenic IIAARN CCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033068138 520919834 /nfs/dbraw/zinc/91/98/34/520919834.db2.gz WIDRTTCKYDNDNO-UHFFFAOYSA-N 0 0 429.476 4.233 50 0 IIAARN CCOc1ccc(CCC2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)cc1 ZINC000012775253 520944860 /nfs/dbraw/zinc/94/48/60/520944860.db2.gz JWIFQSFUWMPPNZ-UHFFFAOYSA-N 0 0 441.549 4.225 50 0 IIAARN CCOc1ccc(CCNC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000020508985 520954655 /nfs/dbraw/zinc/95/46/55/520954655.db2.gz HLJQXXHEKHASLR-UHFFFAOYSA-N 0 0 442.515 4.371 50 0 biogenic IIAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1OC ZINC000002653011 520969832 /nfs/dbraw/zinc/96/98/32/520969832.db2.gz KSVGLPLEBSKJEC-UHFFFAOYSA-N 0 0 430.460 4.142 50 0 IIAARN CCOc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001077084 521036726 /nfs/dbraw/zinc/03/67/26/521036726.db2.gz YHAYBJSGETZUHA-ROUUACIJSA-N 0 0 441.336 4.004 50 0 IIAARN CCOc1ccc(NC(=O)CN(C)C(=O)CSCc2cccc(C)c2)cc1OCC ZINC000012906062 521056580 /nfs/dbraw/zinc/05/65/80/521056580.db2.gz FVKOSZZDXMRPOT-UHFFFAOYSA-N 0 0 430.570 4.123 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1S(=O)(=O)N(CC)CC ZINC000012581519 521116564 /nfs/dbraw/zinc/11/65/64/521116564.db2.gz ZPNGBDMVBNTUMA-UHFFFAOYSA-N 0 0 443.569 4.466 50 0 IIAARN CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 ZINC000012063033 521121939 /nfs/dbraw/zinc/12/19/39/521121939.db2.gz VFEPHABVVODDNJ-UHFFFAOYSA-N 0 0 445.928 4.063 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)O[C@H](C)C3)c1 ZINC000020926532 521168877 /nfs/dbraw/zinc/16/88/77/521168877.db2.gz RWHKROVXEMEZIT-CYBMUJFWSA-N 0 0 442.899 4.486 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527857 521194719 /nfs/dbraw/zinc/19/47/19/521194719.db2.gz KZCYGCMCHGZKRT-GOSISDBHSA-N 0 0 433.917 4.315 50 0 IIAARN CCOC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)c(OC)c2)n1-c1cccc(C)c1 ZINC000035848724 521219127 /nfs/dbraw/zinc/21/91/27/521219127.db2.gz IFQKNBAIRUEEFY-HNNXBMFYSA-N 0 0 427.526 4.304 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(C)cc1C)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065167009 521219710 /nfs/dbraw/zinc/21/97/10/521219710.db2.gz OCZMLRBRPRHWRF-XMMPIXPASA-N 0 0 447.579 4.232 50 0 IIAARN CCOc1ccc([C@@H](CNC(=O)Nc2cccc3ccccc32)N2CCOCC2)cc1OC ZINC000022892930 521228004 /nfs/dbraw/zinc/22/80/04/521228004.db2.gz HDUHCBNAVTZCTN-HSZRJFAPSA-N 0 0 449.551 4.442 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OCC)cc3)N2C1=O ZINC000021643643 521251532 /nfs/dbraw/zinc/25/15/32/521251532.db2.gz GZJJJVOUVWPMDI-LJQANCHMSA-N 0 0 436.537 4.216 50 0 IIAARN CCOc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012777749 521252434 /nfs/dbraw/zinc/25/24/34/521252434.db2.gz YDIVGEPGMZHEIM-AWEZNQCLSA-N 0 0 425.554 4.072 50 0 IIAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccc(Cl)cc1)C2=O ZINC000012768140 521279861 /nfs/dbraw/zinc/27/98/61/521279861.db2.gz PHTNCMFQIMJTRS-YZOUICBYSA-N 0 0 436.980 4.135 50 0 IIAARN CCOc1ccc2nc(NC(=O)c3cccn(OCc4cccc(C)c4)c3=O)sc2c1 ZINC000017315749 521305127 /nfs/dbraw/zinc/30/51/27/521305127.db2.gz NPQRQXDLZROWHS-UHFFFAOYSA-N 0 0 435.505 4.046 50 0 IIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(Cc3ccncc3)CC2)n1 ZINC000035924680 521311929 /nfs/dbraw/zinc/31/19/29/521311929.db2.gz SVMLQEGXLLIXCL-UHFFFAOYSA-N 0 0 441.583 4.184 50 0 IIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000023180253 521322838 /nfs/dbraw/zinc/32/28/38/521322838.db2.gz MATITGIRTZWLHW-UHFFFAOYSA-N 0 0 436.346 4.456 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC000012440711 521356300 /nfs/dbraw/zinc/35/63/00/521356300.db2.gz NJRZEETVNXDBIK-VWLOTQADSA-N 0 0 445.506 4.321 50 0 IIAARN CCN(Cc1ccccc1)C(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000020837542 521360120 /nfs/dbraw/zinc/36/01/20/521360120.db2.gz NJTWKWMAZCZKOW-UHFFFAOYSA-N 0 0 445.928 4.074 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC(C)C)C(=O)c2ccc(OC)cc2)c1C ZINC000036003526 521362331 /nfs/dbraw/zinc/36/23/31/521362331.db2.gz BOUISFHAAMHOBS-KRWDZBQOSA-N 0 0 428.529 4.186 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2CC)c1C ZINC000009637019 521381037 /nfs/dbraw/zinc/38/10/37/521381037.db2.gz OYVCLNXBKRIAJH-CQSZACIVSA-N 0 0 430.530 4.352 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)CN(CC(C)C)C(=O)c2cccc(F)c2)c(C)n1CC ZINC000035992637 521385608 /nfs/dbraw/zinc/38/56/08/521385608.db2.gz IGEBTIHSGVPTMG-UHFFFAOYSA-N 0 0 430.520 4.422 50 0 IIAARN CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc(C)c1-c1ccc(C)cc1 ZINC000012624204 521408218 /nfs/dbraw/zinc/40/82/18/521408218.db2.gz UNCJIPBPSPWZPF-HOTGVXAUSA-N 0 0 430.570 4.256 50 0 IIAARN CCCc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2cccs2)cc1 ZINC000012934669 521418236 /nfs/dbraw/zinc/41/82/36/521418236.db2.gz MDBQLCSZMYIBCJ-NRFANRHFSA-N 0 0 442.562 4.213 50 0 IIAARN CCOC(=O)c1c2cc(OC(=O)CN3CCSC3=O)ccc2oc1-c1ccccc1 ZINC000018029309 521418965 /nfs/dbraw/zinc/41/89/65/521418965.db2.gz JZVIXESYOKPBDF-UHFFFAOYSA-N 0 0 425.462 4.351 50 0 IIAARN CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3C)nc21 ZINC000020742790 521436444 /nfs/dbraw/zinc/43/64/44/521436444.db2.gz YSYFEJJGFIOYMW-UHFFFAOYSA-N 0 0 439.581 4.291 50 0 IIAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c(C)o1 ZINC000012415576 521441697 /nfs/dbraw/zinc/44/16/97/521441697.db2.gz IVLDPLWAIQTOLQ-UHFFFAOYSA-N 0 0 447.495 4.258 50 0 IIAARN CCOc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000012285417 521526186 /nfs/dbraw/zinc/52/61/86/521526186.db2.gz WJBBUSYGYZXMIS-UHFFFAOYSA-N 0 0 434.533 4.187 50 0 IIAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc2ccsc2c(=O)[nH]1 ZINC000021923453 521552460 /nfs/dbraw/zinc/55/24/60/521552460.db2.gz KXHKHNQESZSQLC-UHFFFAOYSA-N 0 0 425.341 4.142 50 0 IIAARN CCOC(=O)c1cccnc1N1CCC[C@@H](CCC(=O)Nc2ccc(OC)cc2C)C1 ZINC000020917121 521558354 /nfs/dbraw/zinc/55/83/54/521558354.db2.gz MXJZZQMQWBWSQZ-SFHVURJKSA-N 0 0 425.529 4.211 50 0 IIAARN CCCC1N=NC(=S)N1CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC000021597386 521567602 /nfs/dbraw/zinc/56/76/02/521567602.db2.gz SRWFVXUSSIFOEI-UHFFFAOYSA-N 0 0 439.513 4.191 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445769 521573756 /nfs/dbraw/zinc/57/37/56/521573756.db2.gz SYZZLRHPKLGDBF-WOJBJXKFSA-N 0 0 425.533 4.384 50 0 IIAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1 ZINC000015670085 521590637 /nfs/dbraw/zinc/59/06/37/521590637.db2.gz NNIBJSSEEBOQHK-LJQANCHMSA-N 0 0 440.507 4.214 50 0 IIAARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c12 ZINC000040131019 521594052 /nfs/dbraw/zinc/59/40/52/521594052.db2.gz KEQAPAILYJTIIY-UHFFFAOYSA-N 0 0 429.480 4.270 50 0 IIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cnc3ccccc3n2)sc1C ZINC000021901060 521598783 /nfs/dbraw/zinc/59/87/83/521598783.db2.gz GVCZIKLOYSZPOU-UHFFFAOYSA-N 0 0 446.532 4.461 50 0 IIAARN CCOC(=O)c1sc2ncn(Cc3ncc(-c4cccc(Cl)c4)o3)c(=O)c2c1C ZINC000028188162 521620072 /nfs/dbraw/zinc/62/00/72/521620072.db2.gz VNNJCKDBMFPVRF-UHFFFAOYSA-N 0 0 429.885 4.300 50 0 IIAARN CCCn1c(CSc2nc3cc(C)ccc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021170262 521630594 /nfs/dbraw/zinc/63/05/94/521630594.db2.gz ZIBKBCAAKNDHCK-UHFFFAOYSA-N 0 0 443.598 4.174 50 0 IIAARN CCCn1c(SCC(=O)N(C)Cc2cccc(OC)c2)nc2cc(Cl)ccc2c1=O ZINC000012783676 521632826 /nfs/dbraw/zinc/63/28/26/521632826.db2.gz KLYNPLDNPTYSOH-UHFFFAOYSA-N 0 0 445.972 4.219 50 0 IIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccccc1 ZINC000012630036 521637227 /nfs/dbraw/zinc/63/72/27/521637227.db2.gz OCEBNFXXSNMMPJ-CYVLTUHYSA-N 0 0 445.972 4.204 50 0 IIAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(OC)c(OC)cc1OC ZINC000012934036 521694582 /nfs/dbraw/zinc/69/45/82/521694582.db2.gz IUSBHVKQQYBVJO-UHFFFAOYSA-N 0 0 445.903 4.468 50 0 IIAARN CCSC1=NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N=C1c1ccc(C)cc1 ZINC000020981855 521695232 /nfs/dbraw/zinc/69/52/32/521695232.db2.gz PWWFZDMNCHUDGF-UHFFFAOYSA-N 0 0 445.585 4.269 50 0 IIAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccccc3F)cc2)C(C(=O)OC)=C1C ZINC000035711903 521701089 /nfs/dbraw/zinc/70/10/89/521701089.db2.gz VZPAKZPLGWNUBX-HXUWFJFHSA-N 0 0 440.475 4.393 50 0 IIAARN CCOCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000020938929 521711794 /nfs/dbraw/zinc/71/17/94/521711794.db2.gz XBCKWQSYQJBECQ-QHCPKHFHSA-N 0 0 425.504 4.399 50 0 IIAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)CC)CC2 ZINC000014357087 521741777 /nfs/dbraw/zinc/74/17/77/521741777.db2.gz SYTJZEYEOGSBOI-CVEARBPZSA-N 0 0 439.556 4.167 50 0 IIAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(CC(C)C)C(=O)c2ccccc2Cl)c(C)n1C ZINC000036017555 521751379 /nfs/dbraw/zinc/75/13/79/521751379.db2.gz NPVSUPPCYIDPBU-MRXNPFEDSA-N 0 0 432.948 4.452 50 0 IIAARN CCSc1nc2n(n1)[C@H](c1cccc(F)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000017316887 521785906 /nfs/dbraw/zinc/78/59/06/521785906.db2.gz LZQBDXDSKDPKMA-LJQANCHMSA-N 0 0 439.516 4.465 50 0 IIAARN CCSc1ncc(Cl)c(C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000041157977 521788673 /nfs/dbraw/zinc/78/86/73/521788673.db2.gz FOSFYGHJGSLFRJ-MRXNPFEDSA-N 0 0 436.965 4.034 50 0 IIAARN CC[C@@H](C(=O)N(C)Cc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607700 521803671 /nfs/dbraw/zinc/80/36/71/521803671.db2.gz UOIQVHRMRLOCSI-NSHDSACASA-N 0 0 438.281 4.041 50 0 IIAARN CC[C@@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563812 521834170 /nfs/dbraw/zinc/83/41/70/521834170.db2.gz VYPDZGDZVCJMQC-QFIPXVFZSA-N 0 0 447.583 4.465 50 0 IIAARN COC(=O)c1cc(CNC(=O)C2CCC2)cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000012217183 521847251 /nfs/dbraw/zinc/84/72/51/521847251.db2.gz LGBKSIWZVKYLAM-UHFFFAOYSA-N 0 0 440.927 4.213 50 0 IIAARN CCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862610 521851934 /nfs/dbraw/zinc/85/19/34/521851934.db2.gz ICQXUSOBFFABKN-HHHXNRCGSA-N 0 0 444.579 4.479 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1)c1ccccc1 ZINC000015772214 521865856 /nfs/dbraw/zinc/86/58/56/521865856.db2.gz REGIYGXARQWSCV-OAQYLSRUSA-N 0 0 445.475 4.085 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943076 521876642 /nfs/dbraw/zinc/87/66/42/521876642.db2.gz IGPFTVHBNQNCJX-IBGZPJMESA-N 0 0 435.915 4.442 50 0 IIAARN COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000012280064 521896321 /nfs/dbraw/zinc/89/63/21/521896321.db2.gz SAGUSQYHKAIHQX-UHFFFAOYSA-N 0 0 431.488 4.363 50 0 IIAARN COc1cc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc(OC)c1OC ZINC000012248711 521908720 /nfs/dbraw/zinc/90/87/20/521908720.db2.gz CBAVFPWOIJZULA-UHFFFAOYSA-N 0 0 429.498 4.110 50 0 IIAARN COc1cc(-c2nnc3sc(-c4cc(C)nc5ccccc54)nn32)cc(OC)c1OC ZINC000012390418 521912768 /nfs/dbraw/zinc/91/27/68/521912768.db2.gz NRPBKERUZIHLEV-UHFFFAOYSA-N 0 0 433.493 4.402 50 0 IIAARN COc1cc(-c2noc(-c3ccccc3NC(=O)c3ccncc3)n2)cc(OC)c1OC ZINC000022464369 521912787 /nfs/dbraw/zinc/91/27/87/521912787.db2.gz YRRIVFDIYNAMIZ-UHFFFAOYSA-N 0 0 432.436 4.077 50 0 IIAARN CN(C)S(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl ZINC000012413980 521969997 /nfs/dbraw/zinc/96/99/97/521969997.db2.gz VQDNVXFHBLIRNO-UHFFFAOYSA-N 0 0 445.412 4.190 50 0 IIAARN COc1cc(/C=C\C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC ZINC000012235660 521978731 /nfs/dbraw/zinc/97/87/31/521978731.db2.gz UZPCJWYIZDYHQM-WTKPLQERSA-N 0 0 428.872 4.350 50 0 IIAARN COC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000012867847 521998661 /nfs/dbraw/zinc/99/86/61/521998661.db2.gz FCNVZXVZOGUPML-UHFFFAOYSA-N 0 0 427.460 4.462 50 0 IIAARN CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nc2ccccc2c1=O ZINC000021279668 522071427 /nfs/dbraw/zinc/07/14/27/522071427.db2.gz IRPZSLZJPCVSHW-HOTGVXAUSA-N 0 0 425.554 4.346 50 0 IIAARN COc1cc(C(=O)N2CCC(n3c(=O)oc4ccc(C(C)(C)C)cc43)CC2)cc(Cl)n1 ZINC000022667604 522072001 /nfs/dbraw/zinc/07/20/01/522072001.db2.gz AHESYKXINBSVGA-UHFFFAOYSA-N 0 0 443.931 4.426 50 0 IIAARN COc1cc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc(OC)c1Cl ZINC000012861052 522100874 /nfs/dbraw/zinc/10/08/74/522100874.db2.gz XVWQQYGTYPEMMI-UHFFFAOYSA-N 0 0 441.940 4.470 50 0 IIAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012796587 522101569 /nfs/dbraw/zinc/10/15/69/522101569.db2.gz MNZPAOWAEBXCFL-HXUWFJFHSA-N 0 0 428.598 4.223 50 0 IIAARN COC(=O)c1ccc(OCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)c(OC)c1 ZINC000021316540 522142935 /nfs/dbraw/zinc/14/29/35/522142935.db2.gz SXLNXUWECXCMHQ-HXUWFJFHSA-N 0 0 433.460 4.028 50 0 IIAARN COC(=O)c1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263586405 522176559 /nfs/dbraw/zinc/17/65/59/522176559.db2.gz UCQQJLMEHBZDKE-QFIPXVFZSA-N 0 0 443.503 4.209 50 0 biogenic IIAARN COC(=O)c1cccc2c1CCCN2C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012920432 522251168 /nfs/dbraw/zinc/25/11/68/522251168.db2.gz PVZBNPDZTMFTIA-UHFFFAOYSA-N 0 0 447.457 4.083 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000024360567 522251264 /nfs/dbraw/zinc/25/12/64/522251264.db2.gz UAFODARHDGMIIO-FQEVSTJZSA-N 0 0 447.459 4.143 50 0 IIAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000021845009 522283844 /nfs/dbraw/zinc/28/38/44/522283844.db2.gz HMWYZPIDSMGOID-CRAIPNDOSA-N 0 0 443.594 4.121 50 0 IIAARN COc1cc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2F)ccc1OC(F)F ZINC000012917109 522360159 /nfs/dbraw/zinc/36/01/59/522360159.db2.gz DNGQUFGQOBBNJE-UHFFFAOYSA-N 0 0 435.851 4.442 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)c1cccc(F)c1 ZINC000035946783 522451877 /nfs/dbraw/zinc/45/18/77/522451877.db2.gz GFYJCQNOUUSPSD-FQEVSTJZSA-N 0 0 439.487 4.476 50 0 IIAARN CC[C@@H](C)n1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012456962 522452869 /nfs/dbraw/zinc/45/28/69/522452869.db2.gz XWLJCLJKLMRCJI-LJQANCHMSA-N 0 0 427.589 4.456 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NC2CCC(NC(=O)C3CC3)CC2)n1 ZINC000036025956 522468182 /nfs/dbraw/zinc/46/81/82/522468182.db2.gz SVGKGMUMHWJGEF-UHFFFAOYSA-N 0 0 432.572 4.244 50 0 IIAARN COc1cc(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000012848757 522497229 /nfs/dbraw/zinc/49/72/29/522497229.db2.gz WQMSXVWPYHBVJT-UHFFFAOYSA-N 0 0 434.222 4.077 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccccc1N1CCOCC1 ZINC000012606838 522497544 /nfs/dbraw/zinc/49/75/44/522497544.db2.gz VUMFZIMHDUECHS-UHFFFAOYSA-N 0 0 441.881 4.266 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000022459030 522502802 /nfs/dbraw/zinc/50/28/02/522502802.db2.gz GZBGUOVQGOUGPM-UHFFFAOYSA-N 0 0 441.258 4.271 50 0 IIAARN CN(CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000032983445 522503973 /nfs/dbraw/zinc/50/39/73/522503973.db2.gz WRTPKFDMPSDYFW-UHFFFAOYSA-N 0 0 429.883 4.050 50 0 IIAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000021580278 522517736 /nfs/dbraw/zinc/51/77/36/522517736.db2.gz MHPLOPVINKNNBT-NRFANRHFSA-N 0 0 433.474 4.330 50 0 IIAARN CN(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Cl ZINC000012789537 522679148 /nfs/dbraw/zinc/67/91/48/522679148.db2.gz ZVCJQUJTMHKHEM-UHFFFAOYSA-N 0 0 442.716 4.141 50 0 IIAARN COc1cc(OC)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl ZINC000012807023 522799434 /nfs/dbraw/zinc/79/94/34/522799434.db2.gz ICYZHFRNWGDIFP-UHFFFAOYSA-N 0 0 447.944 4.036 50 0 IIAARN COc1cc(OC)c(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1Cl ZINC000012414714 522799792 /nfs/dbraw/zinc/79/97/92/522799792.db2.gz MMJOCRUFSUZGNZ-UHFFFAOYSA-N 0 0 426.904 4.156 50 0 IIAARN CCc1noc(C)c1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000012915092 522832152 /nfs/dbraw/zinc/83/21/52/522832152.db2.gz IWVAPXVGEYWMDC-UHFFFAOYSA-N 0 0 428.510 4.207 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@H]1c1ccc(O)c(OC)c1 ZINC000012553259 522868783 /nfs/dbraw/zinc/86/87/83/522868783.db2.gz BNJHVUWVMYBTLQ-SFHVURJKSA-N 0 0 436.892 4.076 50 0 IIAARN CCc1noc(CSc2nc3ccc(Br)cc3c(=O)n2Cc2ccco2)n1 ZINC000012729316 522899486 /nfs/dbraw/zinc/89/94/86/522899486.db2.gz YWLPIWNNWBHOPQ-UHFFFAOYSA-N 0 0 447.314 4.038 50 0 IIAARN COc1cc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000012344779 522937742 /nfs/dbraw/zinc/93/77/42/522937742.db2.gz XFOCWFFTYZNANS-OAQYLSRUSA-N 0 0 425.460 4.290 50 0 IIAARN COCc1ccc(C(=O)N2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)o1 ZINC000012208596 522948928 /nfs/dbraw/zinc/94/89/28/522948928.db2.gz XZKOZIPPGYXUEM-OAHLLOKOSA-N 0 0 434.920 4.359 50 0 IIAARN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012568940 523007235 /nfs/dbraw/zinc/00/72/35/523007235.db2.gz WCESIDPHACTGNV-MRXNPFEDSA-N 0 0 446.594 4.116 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1cc(F)ccc1F)CC2 ZINC000012809552 523050859 /nfs/dbraw/zinc/05/08/59/523050859.db2.gz NMRLUQMXUNWCCE-QHCPKHFHSA-N 0 0 445.487 4.318 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000009218389 523053999 /nfs/dbraw/zinc/05/39/99/523053999.db2.gz JHFAIIXWKWRJJV-OAQYLSRUSA-N 0 0 433.526 4.241 50 0 IIAARN COc1cc2nc(CN3CCc4sccc4[C@H]3c3cccs3)[nH]c(=O)c2cc1OC ZINC000021868293 523066835 /nfs/dbraw/zinc/06/68/35/523066835.db2.gz LPLYGIMCOYTDMJ-NRFANRHFSA-N 0 0 439.562 4.211 50 0 IIAARN COC(=O)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(SC)cc1 ZINC000021889472 523095802 /nfs/dbraw/zinc/09/58/02/523095802.db2.gz BBVNJGQUAQZMBB-QHCPKHFHSA-N 0 0 435.549 4.377 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccc(C)cc4)nc3n2)cc1 ZINC000033271799 523104087 /nfs/dbraw/zinc/10/40/87/523104087.db2.gz CRUODQTTXNZXMM-UHFFFAOYSA-N 0 0 441.413 4.057 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(OC)c4)nc3n2)cc1 ZINC000033271791 523106746 /nfs/dbraw/zinc/10/67/46/523106746.db2.gz DOVHRTQIPIEBOK-UHFFFAOYSA-N 0 0 443.385 4.080 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(F)c4)nc3n2)cc1 ZINC000021727576 523107269 /nfs/dbraw/zinc/10/72/69/523107269.db2.gz NLQRZPXLKHCMMY-UHFFFAOYSA-N 0 0 431.349 4.210 50 0 IIAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)cc1 ZINC000035512570 523111066 /nfs/dbraw/zinc/11/10/66/523111066.db2.gz SEYJLPPGRVUSCN-UHFFFAOYSA-N 0 0 437.931 4.468 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)cc1OC ZINC000020739734 523122295 /nfs/dbraw/zinc/12/22/95/523122295.db2.gz OFSHFPIMLDUTGI-INIZCTEOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000035685297 523153645 /nfs/dbraw/zinc/15/36/45/523153645.db2.gz FZFZWDOEWBDQHX-INIZCTEOSA-N 0 0 426.860 4.392 50 0 IIAARN CCn1c(CCC(=O)Nc2ccccc2C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012602406 523177203 /nfs/dbraw/zinc/17/72/03/523177203.db2.gz UZIRAUDZQVDTCK-UHFFFAOYSA-N 0 0 442.585 4.001 50 0 IIAARN CN(Cc1cc2cc(F)ccc2[nH]1)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000020451935 523184201 /nfs/dbraw/zinc/18/42/01/523184201.db2.gz AJAUTXCFAQRXDX-UHFFFAOYSA-N 0 0 425.533 4.274 50 0 IIAARN CCn1c(CN2CCCCCC2=O)nnc1SCc1cc(Cl)cc2c1OCOC2 ZINC000014251434 523189190 /nfs/dbraw/zinc/18/91/90/523189190.db2.gz KEQRIDDBCMVRCY-UHFFFAOYSA-N 0 0 436.965 4.013 50 0 IIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012678434 523194829 /nfs/dbraw/zinc/19/48/29/523194829.db2.gz FRDVELPHYXOLKP-UHFFFAOYSA-N 0 0 433.895 4.477 50 0 IIAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N1CCc2ccccc21 ZINC000057291759 523198500 /nfs/dbraw/zinc/19/85/00/523198500.db2.gz SRVMAJJVBUJHTQ-UHFFFAOYSA-N 0 0 448.592 4.437 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1c(C)nc2sccn21 ZINC000023141502 523229247 /nfs/dbraw/zinc/22/92/47/523229247.db2.gz VBHTZWLGHXQCLD-UHFFFAOYSA-N 0 0 432.962 4.367 50 0 IIAARN CN(Cc1ccc(Cl)s1)Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000012553594 523238737 /nfs/dbraw/zinc/23/87/37/523238737.db2.gz BEBXKAKOYIJKMA-UHFFFAOYSA-N 0 0 436.006 4.044 50 0 IIAARN COc1ccc(-c2nnc(COC(=O)c3cnc(SC)n3-c3ccc(F)cc3)o2)cc1 ZINC000012544455 523252209 /nfs/dbraw/zinc/25/22/09/523252209.db2.gz KXLHHTONUGUMOJ-UHFFFAOYSA-N 0 0 440.456 4.149 50 0 IIAARN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000021723821 523253154 /nfs/dbraw/zinc/25/31/54/523253154.db2.gz ZJEKOOZJNKACBJ-UHFFFAOYSA-N 0 0 447.516 4.159 50 0 IIAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1 ZINC000020923854 523298537 /nfs/dbraw/zinc/29/85/37/523298537.db2.gz CMBCACOAOSLBLW-AWEZNQCLSA-N 0 0 430.867 4.393 50 0 IIAARN COc1ccc(-n2c(S[C@H](C(=O)N(C)C)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000012553018 523324921 /nfs/dbraw/zinc/32/49/21/523324921.db2.gz IVQXTUSTSKDKOI-NRFANRHFSA-N 0 0 445.548 4.260 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)cc1OC ZINC000035597381 523396255 /nfs/dbraw/zinc/39/62/55/523396255.db2.gz APFRRMJAOOBKAN-VZUCSPMQSA-N 0 0 442.479 4.075 50 0 IIAARN COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000012624426 523400414 /nfs/dbraw/zinc/40/04/14/523400414.db2.gz VEIWIULWHHFQJE-PABFRNLHSA-N 0 0 438.505 4.411 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000020180608 523425263 /nfs/dbraw/zinc/42/52/63/523425263.db2.gz HITZNVNSGNKFJL-WSLHGYQHSA-N 0 0 428.488 4.339 50 0 IIAARN CCn1cc([C@@H](CC(=O)NCCCN2CCOCC2)c2ccc(C)cc2)c2ccccc21 ZINC000035800836 523461510 /nfs/dbraw/zinc/46/15/10/523461510.db2.gz UOTNCDKXNNEUJT-DEOSSOPVSA-N 0 0 433.596 4.330 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)c(OC)c1 ZINC000012566031 523472728 /nfs/dbraw/zinc/47/27/28/523472728.db2.gz WJZBJEZXZTUJHY-LCUIJRPUSA-N 0 0 431.448 4.338 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1F ZINC000012408455 523500163 /nfs/dbraw/zinc/50/01/63/523500163.db2.gz IMMGSCZNYXCJFX-UHFFFAOYSA-N 0 0 444.528 4.366 50 0 IIAARN COc1ccc(C(=O)CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1 ZINC000012444203 523589447 /nfs/dbraw/zinc/58/94/47/523589447.db2.gz ZFSMFBULEUHDMB-UHFFFAOYSA-N 0 0 448.516 4.264 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000035948512 523599247 /nfs/dbraw/zinc/59/92/47/523599247.db2.gz UMGOTPZTKTYRQB-GOSISDBHSA-N 0 0 439.562 4.268 50 0 IIAARN COc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)c(C)c3)CC2)c2ccccc12 ZINC000012931884 523621658 /nfs/dbraw/zinc/62/16/58/523621658.db2.gz IGMQRZAZVKWROH-UHFFFAOYSA-N 0 0 434.511 4.465 50 0 IIAARN COc1ccc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c(OC)c1 ZINC000016601996 523626879 /nfs/dbraw/zinc/62/68/79/523626879.db2.gz BLYKUYRRDKZMBI-UHFFFAOYSA-N 0 0 427.888 4.427 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cc1F ZINC000014974756 523639788 /nfs/dbraw/zinc/63/97/88/523639788.db2.gz NPPXAGPADNIGMU-MRXNPFEDSA-N 0 0 444.934 4.188 50 0 IIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)COc2ccccc2)CC1 ZINC000035889732 523709782 /nfs/dbraw/zinc/70/97/82/523709782.db2.gz YXYJGCJKRTWFPS-UHFFFAOYSA-N 0 0 430.552 4.050 50 0 IIAARN COCCN(CCOC)C(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 ZINC000012766521 523713897 /nfs/dbraw/zinc/71/38/97/523713897.db2.gz MHSBIBDWJDGROU-UHFFFAOYSA-N 0 0 441.475 4.149 50 0 IIAARN COc1ccc(C(=O)NCc2cccc3ccccc32)cc1OC1CCN(C(C)=O)CC1 ZINC000012702613 523714864 /nfs/dbraw/zinc/71/48/64/523714864.db2.gz GVQKNFQCDGTTAK-UHFFFAOYSA-N 0 0 432.520 4.168 50 0 IIAARN CCc1c(C)sc2nc(S[C@@H]3CCOC3=O)n(-c3ccc(OC)cc3C)c(=O)c12 ZINC000032950668 523720979 /nfs/dbraw/zinc/72/09/79/523720979.db2.gz OQWSABLSXBJYLK-MRXNPFEDSA-N 0 0 430.551 4.043 50 0 IIAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2cc(OC)c(OC)c(OC)c2)CO1 ZINC000020503011 523742228 /nfs/dbraw/zinc/74/22/28/523742228.db2.gz QNRCAEGVNMVCSQ-UHFFFAOYSA-N 0 0 445.899 4.387 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1OC ZINC000009659188 523761991 /nfs/dbraw/zinc/76/19/91/523761991.db2.gz UXQKDVCPNISKLO-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(Cl)c4)c3C)ns2)cc1 ZINC000020597797 523763162 /nfs/dbraw/zinc/76/31/62/523763162.db2.gz XCUDNDMHBUJITB-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1)c1ccccc1 ZINC000015772216 523799746 /nfs/dbraw/zinc/79/97/46/523799746.db2.gz REGIYGXARQWSCV-NRFANRHFSA-N 0 0 445.475 4.085 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000034927782 523809336 /nfs/dbraw/zinc/80/93/36/523809336.db2.gz AJBQCBACPVHGMM-RPWUZVMVSA-N 0 0 430.504 4.261 50 0 IIAARN COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000012568688 523810753 /nfs/dbraw/zinc/81/07/53/523810753.db2.gz DUGCOFQDHADGIA-UHFFFAOYSA-N 0 0 434.561 4.254 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@H]([C@@H](C)CC)NC12CCN(C(=S)Nc1ccc(OC)cc1)CC2 ZINC000036028027 523879888 /nfs/dbraw/zinc/87/98/88/523879888.db2.gz JYEWJBAJIULCDQ-WFXMLNOXSA-N 0 0 446.661 4.077 50 0 IIAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000016021769 523881512 /nfs/dbraw/zinc/88/15/12/523881512.db2.gz ZCQASAVFDICCRV-NVQXNPDNSA-N 0 0 442.471 4.093 50 0 IIAARN CCc1ccc(C(=O)NCCNC(=O)c2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000034905402 523889647 /nfs/dbraw/zinc/88/96/47/523889647.db2.gz SPKUCNBHHJUBMI-UHFFFAOYSA-N 0 0 437.565 4.061 50 0 IIAARN COCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Oc2ccc(C(C)(C)C)cc21 ZINC000020727731 523891462 /nfs/dbraw/zinc/89/14/62/523891462.db2.gz LWIBVEPCYZGHDO-FYJGNVAPSA-N 0 0 442.943 4.167 50 0 IIAARN CN(C(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)C1CCCCC1 ZINC000020575241 523896096 /nfs/dbraw/zinc/89/60/96/523896096.db2.gz XVWHGRMBPJDZNX-QGZVFWFLSA-N 0 0 437.519 4.431 50 0 IIAARN CCc1ccc(Cn2nccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 ZINC000021599628 523955904 /nfs/dbraw/zinc/95/59/04/523955904.db2.gz PJUYVBUPEYRBNQ-UHFFFAOYSA-N 0 0 449.532 4.313 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)cc(C)n2Cc2ccc(F)c(F)c2)cc1OC ZINC000035836988 523968275 /nfs/dbraw/zinc/96/82/75/523968275.db2.gz GSRKYGHCPPHMPW-UHFFFAOYSA-N 0 0 428.479 4.421 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c(OC)c1 ZINC000020559412 523968530 /nfs/dbraw/zinc/96/85/30/523968530.db2.gz YZHSPPBMHCLVLR-UHFFFAOYSA-N 0 0 448.498 4.100 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000020564592 523995642 /nfs/dbraw/zinc/99/56/42/523995642.db2.gz RZZYCNLYPAHCKU-YOEHRIQHSA-N 0 0 440.979 4.217 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035429416 524005994 /nfs/dbraw/zinc/00/59/94/524005994.db2.gz BTVZSEGPRHPSHB-UHFFFAOYSA-N 0 0 449.532 4.468 50 0 IIAARN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000012137648 524008366 /nfs/dbraw/zinc/00/83/66/524008366.db2.gz IXVXEYFEUYBBBG-GOSISDBHSA-N 0 0 438.549 4.134 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810916 524021573 /nfs/dbraw/zinc/02/15/73/524021573.db2.gz ZJKHTPJANCWVQZ-VKZJBHIYSA-N 0 0 449.551 4.353 50 0 IIAARN COc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000035528886 524047086 /nfs/dbraw/zinc/04/70/86/524047086.db2.gz UKPRSFBMOWMFOA-UHFFFAOYSA-N 0 0 445.947 4.308 50 0 IIAARN COc1ccc(CNC(=O)Cc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000020437283 524055362 /nfs/dbraw/zinc/05/53/62/524055362.db2.gz CFXVPOWTQULKHZ-UHFFFAOYSA-N 0 0 432.499 4.328 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000012756388 524064022 /nfs/dbraw/zinc/06/40/22/524064022.db2.gz HAZRGKGUKUNVCT-INIZCTEOSA-N 0 0 439.581 4.198 50 0 IIAARN Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000012049863 524090488 /nfs/dbraw/zinc/09/04/88/524090488.db2.gz UGTRHRCNMWCZFP-SFHVURJKSA-N 0 0 434.496 4.449 50 0 IIAARN COc1cccc([C@@H](CNc2ncnc3c2cnn3C)c2c[nH]c3ccccc32)c1OC ZINC000021995666 524097546 /nfs/dbraw/zinc/09/75/46/524097546.db2.gz FEGDSTVCYMBDHA-GOSISDBHSA-N 0 0 428.496 4.106 50 0 IIAARN Cc1cccc(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)ncn2)c1 ZINC000033300739 524106630 /nfs/dbraw/zinc/10/66/30/524106630.db2.gz NEHAHHLYJRJZOC-UHFFFAOYSA-N 0 0 437.341 4.177 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000021865136 524140394 /nfs/dbraw/zinc/14/03/94/524140394.db2.gz BKBPDPHOZQJTBF-ZTEVPRNISA-N 0 0 446.551 4.253 50 0 IIAARN Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012526947 524141018 /nfs/dbraw/zinc/14/10/18/524141018.db2.gz KIVUICVMEKWBFN-KRWDZBQOSA-N 0 0 447.564 4.063 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1 ZINC000015496270 524155904 /nfs/dbraw/zinc/15/59/04/524155904.db2.gz FIDFGMAYJQPLKK-AWEZNQCLSA-N 0 0 426.521 4.214 50 0 IIAARN COc1cccc([C@H](CNc2ncnc3c2cnn3C)c2c[nH]c3ccccc32)c1OC ZINC000021995671 524161236 /nfs/dbraw/zinc/16/12/36/524161236.db2.gz FEGDSTVCYMBDHA-SFHVURJKSA-N 0 0 428.496 4.106 50 0 IIAARN Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1C ZINC000012922173 524180256 /nfs/dbraw/zinc/18/02/56/524180256.db2.gz BUMJWYOMZDUIKP-SFHVURJKSA-N 0 0 432.442 4.294 50 0 IIAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c1OC(C)C ZINC000020729540 524187149 /nfs/dbraw/zinc/18/71/49/524187149.db2.gz UIOXUHCMDZUVDC-LJQANCHMSA-N 0 0 425.514 4.191 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(N4CCCCCC4)nc23)c1 ZINC000020516448 524197345 /nfs/dbraw/zinc/19/73/45/524197345.db2.gz DCJVXHLWJLGRRN-UHFFFAOYSA-N 0 0 441.582 4.169 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)Nn2c(C)ccc2C)cc1 ZINC000012800013 524226311 /nfs/dbraw/zinc/22/63/11/524226311.db2.gz YKBUIYVJDXGWQQ-UHFFFAOYSA-N 0 0 427.888 4.168 50 0 IIAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc4nccnc43)C2)cc1 ZINC000035684077 524234658 /nfs/dbraw/zinc/23/46/58/524234658.db2.gz BBUUMEPSHBLZTM-QHCPKHFHSA-N 0 0 428.517 4.478 50 0 IIAARN C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012782694 524243130 /nfs/dbraw/zinc/24/31/30/524243130.db2.gz AVHLEYICEPDDTN-ZDUSSCGKSA-N 0 0 436.339 4.377 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423354 524244532 /nfs/dbraw/zinc/24/45/32/524244532.db2.gz XKNAHVYUMGZBEM-GOSISDBHSA-N 0 0 440.503 4.042 50 0 IIAARN Cc1ccc(CC(=O)N(CCCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1C ZINC000021773584 524247563 /nfs/dbraw/zinc/24/75/63/524247563.db2.gz DYHSVXJEZQRASS-UHFFFAOYSA-N 0 0 441.572 4.350 50 0 IIAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4cc(F)ccc4F)c3s2)C1 ZINC000035533506 524248569 /nfs/dbraw/zinc/24/85/69/524248569.db2.gz HJPAUYMYKKXEHJ-LLVKDONJSA-N 0 0 435.525 4.332 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012821716 524252948 /nfs/dbraw/zinc/25/29/48/524252948.db2.gz VUHUGBJWUDTVFH-HNNXBMFYSA-N 0 0 434.367 4.349 50 0 IIAARN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCCc3ccccn3)c2n1 ZINC000021788908 524268137 /nfs/dbraw/zinc/26/81/37/524268137.db2.gz QODXNNARRWGBKI-UHFFFAOYSA-N 0 0 442.397 4.218 50 0 IIAARN COc1ccccc1-c1nc2cc(C(=O)NCc3ccccc3F)cc(NC(C)=O)c2n1C ZINC000012248163 524281553 /nfs/dbraw/zinc/28/15/53/524281553.db2.gz AXIVXZSPKPYZDP-UHFFFAOYSA-N 0 0 446.482 4.276 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C)c1 ZINC000012912588 524289034 /nfs/dbraw/zinc/28/90/34/524289034.db2.gz SMNOFPUKHBSNAY-UHFFFAOYSA-N 0 0 448.420 4.324 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(C)c1 ZINC000012445102 524291702 /nfs/dbraw/zinc/29/17/02/524291702.db2.gz NFUZCPRJHPTWRC-UHFFFAOYSA-N 0 0 431.536 4.192 50 0 biogenic,in-vitro IIAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022810945 524322908 /nfs/dbraw/zinc/32/29/08/524322908.db2.gz SKTKODIABOQZAQ-SIKLNZKXSA-N 0 0 426.630 4.047 50 0 IIAARN COc1ccccc1C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CC1 ZINC000035809346 524338573 /nfs/dbraw/zinc/33/85/73/524338573.db2.gz BINSULIUJVFBFH-UHFFFAOYSA-N 0 0 446.547 4.473 50 0 IIAARN COc1ccc(N(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000012820426 524368587 /nfs/dbraw/zinc/36/85/87/524368587.db2.gz HVCZAIUDFSQCLI-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)COc2ccccc2)C1 ZINC000035835469 524373114 /nfs/dbraw/zinc/37/31/14/524373114.db2.gz OTEYLLMFDNPBRD-OAQYLSRUSA-N 0 0 448.494 4.435 50 0 IIAARN Cc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCCOC(C)C)c1 ZINC000021859234 524384598 /nfs/dbraw/zinc/38/45/98/524384598.db2.gz DJGZZYUWKNVSIH-MHZLTWQESA-N 0 0 447.579 4.296 50 0 IIAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2cccc(C)c2C)CC3)cc1 ZINC000034927492 524389837 /nfs/dbraw/zinc/38/98/37/524389837.db2.gz RNZIJUIQLOYJHG-UHFFFAOYSA-N 0 0 425.554 4.416 50 0 IIAARN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031143 524420047 /nfs/dbraw/zinc/42/00/47/524420047.db2.gz QFPXEHKLPVOXRR-IBGZPJMESA-N 0 0 429.900 4.412 50 0 IIAARN COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000012779045 524432737 /nfs/dbraw/zinc/43/27/37/524432737.db2.gz RLLKBVZPVIQRRH-UHFFFAOYSA-N 0 0 442.512 4.216 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325815 524434787 /nfs/dbraw/zinc/43/47/87/524434787.db2.gz NPQTYZOAVUUINP-OAQYLSRUSA-N 0 0 437.565 4.396 50 0 IIAARN C[C@H]1CCc2c(sc3nc(SCCN4CCOCC4)n(C4CCCC4)c(=O)c32)C1 ZINC000012814284 524436678 /nfs/dbraw/zinc/43/66/78/524436678.db2.gz VTUIPEAIVLPLFS-HNNXBMFYSA-N 0 0 433.643 4.122 50 0 IIAARN COc1ccc(NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2cccs2)cc1 ZINC000016115329 524450130 /nfs/dbraw/zinc/45/01/30/524450130.db2.gz GSQMQOWEPWOQJM-QGOAFFKASA-N 0 0 438.505 4.184 50 0 IIAARN COc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Br)o2)cc1 ZINC000016183156 524450435 /nfs/dbraw/zinc/45/04/35/524450435.db2.gz IMOICXAUFFXIGX-GHRIWEEISA-N 0 0 441.281 4.460 50 0 IIAARN COc1ccccc1CN1Cc2cc(NC(=O)COc3ccccc3)ccc2O[C@@H](C)C1=O ZINC000035885122 524455998 /nfs/dbraw/zinc/45/59/98/524455998.db2.gz YFQGGPKZZQCALC-SFHVURJKSA-N 0 0 446.503 4.022 50 0 IIAARN COc1ccccc1CN1Cc2cc(NC(=O)Cc3cccs3)ccc2O[C@H](C)C1=O ZINC000035885096 524457349 /nfs/dbraw/zinc/45/73/49/524457349.db2.gz QRCGJJXWECDAKO-MRXNPFEDSA-N 0 0 436.533 4.248 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c(OC)c1 ZINC000021656333 524473540 /nfs/dbraw/zinc/47/35/40/524473540.db2.gz OSRGOHMOYAUZQP-UHFFFAOYSA-N 0 0 434.496 4.141 50 0 IIAARN COc1ccc(NC(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)c(OC)c1 ZINC000020723694 524504084 /nfs/dbraw/zinc/50/40/84/524504084.db2.gz ZNGISIFIQLWMSI-UHFFFAOYSA-N 0 0 425.481 4.389 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000012807088 524527265 /nfs/dbraw/zinc/52/72/65/524527265.db2.gz URZJFIVUAZQCHS-HNNXBMFYSA-N 0 0 430.551 4.073 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022278279 524529196 /nfs/dbraw/zinc/52/91/96/524529196.db2.gz QWIJRLYNSOQENI-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1C ZINC000012737868 524544801 /nfs/dbraw/zinc/54/48/01/524544801.db2.gz FVMHRUNCJAIEAC-UHFFFAOYSA-N 0 0 441.984 4.250 50 0 IIAARN COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2C)CC1 ZINC000015880921 524565394 /nfs/dbraw/zinc/56/53/94/524565394.db2.gz WXZZILRKINVTKH-UHFFFAOYSA-N 0 0 434.931 4.113 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000021935953 524585902 /nfs/dbraw/zinc/58/59/02/524585902.db2.gz BRMYYOXNCMFXJA-KUHUBIRLSA-N 0 0 436.537 4.070 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000021935959 524587086 /nfs/dbraw/zinc/58/70/86/524587086.db2.gz BRMYYOXNCMFXJA-AUUYWEPGSA-N 0 0 436.537 4.070 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl ZINC000012078510 524592161 /nfs/dbraw/zinc/59/21/61/524592161.db2.gz JSCOMFZYJZXCEL-KRWDZBQOSA-N 0 0 445.972 4.103 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c1C ZINC000020854706 524598786 /nfs/dbraw/zinc/59/87/86/524598786.db2.gz FRXXXFRFRHZNSF-NHCUHLMSSA-N 0 0 434.536 4.181 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1 ZINC000015881925 524599890 /nfs/dbraw/zinc/59/98/90/524599890.db2.gz UWFFJKGFWSOALG-UHFFFAOYSA-N 0 0 439.928 4.451 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC ZINC000012804538 524607550 /nfs/dbraw/zinc/60/75/50/524607550.db2.gz YUTGRNJHQHUVCX-INIZCTEOSA-N 0 0 436.512 4.095 50 0 IIAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)c1 ZINC000021908601 524608181 /nfs/dbraw/zinc/60/81/81/524608181.db2.gz IJIKWFAPZHDHQC-HNNXBMFYSA-N 0 0 441.578 4.010 50 0 IIAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)cc3)n3ccccc23)c(OC)c1 ZINC000012342051 524621753 /nfs/dbraw/zinc/62/17/53/524621753.db2.gz ASSRQSRKQHYESP-UHFFFAOYSA-N 0 0 429.476 4.330 50 0 IIAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1F ZINC000033678301 524626407 /nfs/dbraw/zinc/62/64/07/524626407.db2.gz WROHCRZLIRDFSR-SPYBWZPUSA-N 0 0 434.533 4.190 50 0 IIAARN COc1ccccc1NC(=O)c1nc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000021660552 524629964 /nfs/dbraw/zinc/62/99/64/524629964.db2.gz SRCLATZNNMXQLD-UHFFFAOYSA-N 0 0 427.386 4.379 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012554256 524637159 /nfs/dbraw/zinc/63/71/59/524637159.db2.gz IVYXJFLKUATKPT-MRXNPFEDSA-N 0 0 447.491 4.158 50 0 IIAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)cc4)n3c2)cc1 ZINC000033268181 524641377 /nfs/dbraw/zinc/64/13/77/524641377.db2.gz JVZQSLRMFDINTD-UHFFFAOYSA-N 0 0 447.520 4.029 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012381269 524646862 /nfs/dbraw/zinc/64/68/62/524646862.db2.gz TVSWUQAURTZITN-UHFFFAOYSA-N 0 0 437.540 4.171 50 0 IIAARN COc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000020616702 524650075 /nfs/dbraw/zinc/65/00/75/524650075.db2.gz RTPWJNYEYVNVBQ-UHFFFAOYSA-N 0 0 449.294 4.249 50 0 IIAARN Cc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000012789618 524657658 /nfs/dbraw/zinc/65/76/58/524657658.db2.gz MASHWZZIQRHNAG-SANMLTNESA-N 0 0 425.488 4.113 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1Cl ZINC000035539449 524685975 /nfs/dbraw/zinc/68/59/75/524685975.db2.gz UJLPRVOALHMAGV-UHFFFAOYSA-N 0 0 425.919 4.447 50 0 IIAARN Cc1ccc(C[C@]2(CCC(=O)NCc3cc(C(F)(F)F)ccc3F)CCC(=O)N2)cc1 ZINC000012217773 524688204 /nfs/dbraw/zinc/68/82/04/524688204.db2.gz KNGIUNZDZQILHA-QFIPXVFZSA-N 0 0 436.449 4.441 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585285 524688361 /nfs/dbraw/zinc/68/83/61/524688361.db2.gz NYBGQLKKXGVXEC-OXQOHEQNSA-N 0 0 443.569 4.081 50 0 IIAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)NC4CC4)n(-c4ccccc4F)c(=O)c32)C1 ZINC000009663546 524725096 /nfs/dbraw/zinc/72/50/96/524725096.db2.gz OFAHHSARFAIGLS-GFCCVEGCSA-N 0 0 443.569 4.082 50 0 IIAARN COc1ccccc1[C@@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)N(C)C ZINC000022679201 524734084 /nfs/dbraw/zinc/73/40/84/524734084.db2.gz BLBZVSBGDQZXFX-HXUWFJFHSA-N 0 0 446.638 4.362 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907618 524739822 /nfs/dbraw/zinc/73/98/22/524739822.db2.gz CEXXAXAJHBZMIV-OAQYLSRUSA-N 0 0 437.927 4.096 50 0 IIAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000016903223 524758216 /nfs/dbraw/zinc/75/82/16/524758216.db2.gz IUIZTGYHCGTBBN-UNMCSNQZSA-N 0 0 441.531 4.305 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051604 524760520 /nfs/dbraw/zinc/76/05/20/524760520.db2.gz QAHBVVGMOSMDEL-GOTSBHOMSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(C3CCCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012873386 524762187 /nfs/dbraw/zinc/76/21/87/524762187.db2.gz ZBUCLSJXJXDPSM-DCFHFQCYSA-N 0 0 443.547 4.151 50 0 biogenic IIAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000012409719 524886150 /nfs/dbraw/zinc/88/61/50/524886150.db2.gz YMJIDDFHNMATBL-SFHVURJKSA-N 0 0 447.560 4.007 50 0 IIAARN Cc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1C ZINC000020867419 524900036 /nfs/dbraw/zinc/90/00/36/524900036.db2.gz FJDHOOTZBKQIJE-OALUTQOASA-N 0 0 438.977 4.371 50 0 IIAARN C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000023785654 524914559 /nfs/dbraw/zinc/91/45/59/524914559.db2.gz AFVFRFMEORRJES-INIZCTEOSA-N 0 0 443.473 4.380 50 0 IIAARN COc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000012911154 524967877 /nfs/dbraw/zinc/96/78/77/524967877.db2.gz FIQIOISRGKFECJ-SFHVURJKSA-N 0 0 436.533 4.190 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4ccc(C)c(F)c4)o3)CC2=O)cc1 ZINC000015785013 524981590 /nfs/dbraw/zinc/98/15/90/524981590.db2.gz QJOMCACKXSYKBS-HNNXBMFYSA-N 0 0 440.500 4.077 50 0 IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000012688812 524994686 /nfs/dbraw/zinc/99/46/86/524994686.db2.gz NRUIWVCGIQIHSB-HTAPYJJXSA-N 0 0 448.544 4.080 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2cccc(C)c2c1Cl ZINC000012775910 525000642 /nfs/dbraw/zinc/00/06/42/525000642.db2.gz HVMVOXSLKMCUPF-UHFFFAOYSA-N 0 0 438.958 4.374 50 0 IIAARN Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009662797 525033438 /nfs/dbraw/zinc/03/34/38/525033438.db2.gz KQKUYUVHXCAPJN-UHFFFAOYSA-N 0 0 434.583 4.223 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000012561249 525049148 /nfs/dbraw/zinc/04/91/48/525049148.db2.gz MCOFMCWYEMROEF-CALCHBBNSA-N 0 0 430.570 4.034 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c2ccccc2O1 ZINC000041158138 525052140 /nfs/dbraw/zinc/05/21/40/525052140.db2.gz AZTKHZGPVKYZJU-OAHLLOKOSA-N 0 0 426.469 4.054 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)cc2N(C)C1=O ZINC000041155922 525062649 /nfs/dbraw/zinc/06/26/49/525062649.db2.gz FKFCAPPLTOICHL-LLVKDONJSA-N 0 0 442.269 4.100 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000020554807 525087570 /nfs/dbraw/zinc/08/75/70/525087570.db2.gz KQTAYTYYLDPJCI-UHFFFAOYSA-N 0 0 438.553 4.189 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)[C@@H]2CCCO2)cc1 ZINC000012390101 525092774 /nfs/dbraw/zinc/09/27/74/525092774.db2.gz LFXBEWGYPVRBQQ-FQEVSTJZSA-N 0 0 446.569 4.179 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1 ZINC000015780790 525092970 /nfs/dbraw/zinc/09/29/70/525092970.db2.gz KAWLSFHVSOZZBW-HXUWFJFHSA-N 0 0 449.981 4.284 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)cc1C ZINC000035535125 525103501 /nfs/dbraw/zinc/10/35/01/525103501.db2.gz XPUGFUSUBGBDSQ-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(-n2ccnc2)cc1 ZINC000012604357 525128411 /nfs/dbraw/zinc/12/84/11/525128411.db2.gz ODQPSGCQCIOVQB-YJYMSZOUSA-N 0 0 426.929 4.206 50 0 IIAARN Cc1cc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)ccc1Br ZINC000012779677 525132144 /nfs/dbraw/zinc/13/21/44/525132144.db2.gz LRDURSFTQUNEBT-UHFFFAOYSA-N 0 0 446.370 4.437 50 0 IIAARN C[C@@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020857449 525138076 /nfs/dbraw/zinc/13/80/76/525138076.db2.gz KXPDHYPHPNQWGB-JPYJTQIMSA-N 0 0 425.623 4.420 50 0 IIAARN Cc1cc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)ccc1Br ZINC000002980857 525138164 /nfs/dbraw/zinc/13/81/64/525138164.db2.gz KOEKMBVQPOVKJG-UHFFFAOYSA-N 0 0 447.354 4.315 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000015961441 525142012 /nfs/dbraw/zinc/14/20/12/525142012.db2.gz NGXOZMOWXPEMSW-UHFFFAOYSA-N 0 0 440.487 4.493 50 0 IIAARN Cc1ccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCC4)ccc32)cc1Cl ZINC000021714166 525160190 /nfs/dbraw/zinc/16/01/90/525160190.db2.gz AOLBXMGSWKPHEE-UHFFFAOYSA-N 0 0 425.920 4.056 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)no1 ZINC000012549465 525211123 /nfs/dbraw/zinc/21/11/23/525211123.db2.gz LWIWGIGVSGFORU-CQSZACIVSA-N 0 0 436.965 4.326 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000021859472 525211913 /nfs/dbraw/zinc/21/19/13/525211913.db2.gz UMVAFQMFDCSZCB-MUUNZHRXSA-N 0 0 437.543 4.415 50 0 IIAARN C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000012778458 525217273 /nfs/dbraw/zinc/21/72/73/525217273.db2.gz GTICCCYXCCBWHR-MRXNPFEDSA-N 0 0 435.977 4.075 50 0 IIAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2ccccc2c1 ZINC000012778824 525217638 /nfs/dbraw/zinc/21/76/38/525217638.db2.gz IMNWSCHTTHPDKC-INIZCTEOSA-N 0 0 445.548 4.190 50 0 IIAARN C[C@]1(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)Cc2ccccc2C(=O)O1 ZINC000014673283 525224335 /nfs/dbraw/zinc/22/43/35/525224335.db2.gz YIDZFOOAKRIHSQ-OAQYLSRUSA-N 0 0 430.291 4.349 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccccc1Cl ZINC000012770256 525225120 /nfs/dbraw/zinc/22/51/20/525225120.db2.gz FUFGSDWNBSYXDF-AWEZNQCLSA-N 0 0 431.945 4.312 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCCC2)cc1 ZINC000035946451 525240782 /nfs/dbraw/zinc/24/07/82/525240782.db2.gz FYSOKTDQYWUAAB-QFIPXVFZSA-N 0 0 439.943 4.333 50 0 IIAARN Cc1ccc(NC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c(Cl)c1 ZINC000021117653 525241101 /nfs/dbraw/zinc/24/11/01/525241101.db2.gz QCKSLHMEZDHPRY-HXUWFJFHSA-N 0 0 427.913 4.303 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)c(OC)c1 ZINC000023313316 525242936 /nfs/dbraw/zinc/24/29/36/525242936.db2.gz LLSRSMGXJOMULA-NRFANRHFSA-N 0 0 435.524 4.425 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)o1 ZINC000020848944 525243531 /nfs/dbraw/zinc/24/35/31/525243531.db2.gz MDQWJKIGOKNNJC-CQSZACIVSA-N 0 0 442.928 4.283 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000012807911 525246056 /nfs/dbraw/zinc/24/60/56/525246056.db2.gz SGYUSSRDKGUGEW-QHCPKHFHSA-N 0 0 444.531 4.464 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC ZINC000012552724 525247748 /nfs/dbraw/zinc/24/77/48/525247748.db2.gz NDAVMWYBRDBDPX-FQEVSTJZSA-N 0 0 435.499 4.495 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000032987834 525260877 /nfs/dbraw/zinc/26/08/77/525260877.db2.gz WMCJKAQHACDFQO-UHFFFAOYSA-N 0 0 428.945 4.391 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 ZINC000012775545 525269591 /nfs/dbraw/zinc/26/95/91/525269591.db2.gz HYXNTFGLUMDLOE-UHFFFAOYSA-N 0 0 440.468 4.409 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000021783039 525279194 /nfs/dbraw/zinc/27/91/94/525279194.db2.gz JEZVNSWNWOPTES-UZUQRXQVSA-N 0 0 449.503 4.151 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1C ZINC000012604749 525298934 /nfs/dbraw/zinc/29/89/34/525298934.db2.gz XEDOMDAGMWCIPR-IYBDPMFKSA-N 0 0 436.961 4.007 50 0 IIAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000012293710 525319380 /nfs/dbraw/zinc/31/93/80/525319380.db2.gz ZBETZEORHNMJIG-SFHVURJKSA-N 0 0 436.533 4.152 50 0 IIAARN Cc1ccc(Nc2nc(N)nc(COc3ccccc3C(=O)NCc3ccccc3)n2)cc1 ZINC000012513351 525327308 /nfs/dbraw/zinc/32/73/08/525327308.db2.gz CRGRZCLADCRVEF-UHFFFAOYSA-N 0 0 440.507 4.015 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1cccc(Cl)c1 ZINC000012554030 525336218 /nfs/dbraw/zinc/33/62/18/525336218.db2.gz WYCUJCRMYVUKKV-CQSZACIVSA-N 0 0 431.945 4.312 50 0 IIAARN COc1ccc([C@H](CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)n2cccc2)cc1 ZINC000020997548 525342574 /nfs/dbraw/zinc/34/25/74/525342574.db2.gz OHBMUJCIGOIJLG-VWLOTQADSA-N 0 0 431.536 4.028 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)cc1 ZINC000008595757 534849440 /nfs/dbraw/zinc/84/94/40/534849440.db2.gz VPZNGWXNHKMZQX-UHFFFAOYSA-N 0 0 446.551 4.214 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(CC(C)C)c4s3)CC2)c(F)c1 ZINC000009209199 534849499 /nfs/dbraw/zinc/84/94/99/534849499.db2.gz MMUWWUQQSLLRRP-UHFFFAOYSA-N 0 0 442.560 4.366 50 0 IIAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799920 525408825 /nfs/dbraw/zinc/40/88/25/525408825.db2.gz MDOGDKZBQVFSEQ-JOCHJYFZSA-N 0 0 425.529 4.218 50 0 IIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012390648 525428921 /nfs/dbraw/zinc/42/89/21/525428921.db2.gz GSALTRLJSBTHGW-UHFFFAOYSA-N 0 0 441.934 4.480 50 0 IIAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC000016903632 525438238 /nfs/dbraw/zinc/43/82/38/525438238.db2.gz RQMJSPNIEJPIDC-VQTJNVASSA-N 0 0 435.568 4.207 50 0 IIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCc2ccccc2)cc1 ZINC000021163909 525441062 /nfs/dbraw/zinc/44/10/62/525441062.db2.gz LCNZKMCZDAQPFW-VWLOTQADSA-N 0 0 439.515 4.049 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000023119107 525485717 /nfs/dbraw/zinc/48/57/17/525485717.db2.gz BOKJXGLEZCDJLK-OAQYLSRUSA-N 0 0 437.492 4.461 50 0 IIAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c3=O ZINC000033089154 525523443 /nfs/dbraw/zinc/52/34/43/525523443.db2.gz XEGCNCWZISJPAT-OAHLLOKOSA-N 0 0 441.453 4.100 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCCCCCC1 ZINC000012882670 525552493 /nfs/dbraw/zinc/55/24/93/525552493.db2.gz PITDGVLNBQDMHU-QGZVFWFLSA-N 0 0 427.408 4.093 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000035559297 525553069 /nfs/dbraw/zinc/55/30/69/525553069.db2.gz FTYPDMBYVSGOCM-VWLOTQADSA-N 0 0 448.588 4.298 50 0 IIAARN CSCC[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012534953 525586990 /nfs/dbraw/zinc/58/69/90/525586990.db2.gz CCUXFOLNJHCLME-IBGZPJMESA-N 0 0 444.988 4.337 50 0 IIAARN Cc1c(C(=O)NC2CCCCCCC2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000012244055 525603223 /nfs/dbraw/zinc/60/32/23/525603223.db2.gz DAZISQHDQDZOSQ-UHFFFAOYSA-N 0 0 443.617 4.267 50 0 IIAARN Cc1cc2c(nc(SCC(=O)Nc3ccccc3F)n(Cc3ccco3)c2=O)s1 ZINC000012583884 525623957 /nfs/dbraw/zinc/62/39/57/525623957.db2.gz YLYLFWNWTYUTOX-UHFFFAOYSA-N 0 0 429.498 4.278 50 0 IIAARN Cc1c(C(=O)NCc2cccc(Br)c2)sc2ncnc(N3CCCC3)c12 ZINC000021717160 525627545 /nfs/dbraw/zinc/62/75/45/525627545.db2.gz YKGDDKGQINXXGA-UHFFFAOYSA-N 0 0 431.359 4.292 50 0 IIAARN Cc1c(C(=O)NCc2ccc(F)cc2)n(Cc2cccc(C)c2)c(C)c1N1CCOCC1 ZINC000035837129 525627901 /nfs/dbraw/zinc/62/79/01/525627901.db2.gz HEXZMQBCWNAZDP-UHFFFAOYSA-N 0 0 435.543 4.367 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012419096 525633411 /nfs/dbraw/zinc/63/34/11/525633411.db2.gz WPGCCNVZTOFTKH-QZTJIDSGSA-N 0 0 426.538 4.405 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(CCc1ccccc1)C3=O ZINC000021857475 525644653 /nfs/dbraw/zinc/64/46/53/525644653.db2.gz AUQMEAPIWWEBRS-HHHXNRCGSA-N 0 0 445.563 4.166 50 0 IIAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5oc4=O)c3)cn2n1 ZINC000012441293 525655563 /nfs/dbraw/zinc/65/55/63/525655563.db2.gz SPWGOPQIICASND-UHFFFAOYSA-N 0 0 446.850 4.417 50 0 IIAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)cc(=O)n2o1 ZINC000020583374 525676061 /nfs/dbraw/zinc/67/60/61/525676061.db2.gz LYTRFWJMKZTRRK-UHFFFAOYSA-N 0 0 438.490 4.343 50 0 IIAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCCc4ccco4)cc3)cc2c1 ZINC000012899269 525684176 /nfs/dbraw/zinc/68/41/76/525684176.db2.gz WGXBAVBYBIJPLP-UHFFFAOYSA-N 0 0 433.460 4.189 50 0 biogenic IIAARN COc1ccc2sc(S[C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)nc2c1 ZINC000018148635 525695545 /nfs/dbraw/zinc/69/55/45/525695545.db2.gz NUHMEWIXEDRUSP-HNNXBMFYSA-N 0 0 449.351 4.492 50 0 IIAARN COc1cccc(-c2cc(C(=O)N[C@H](C(=O)NCc3ccccc3)c3ccccc3)no2)c1 ZINC000036002650 525703116 /nfs/dbraw/zinc/70/31/16/525703116.db2.gz KTSDOGUOKXDWGJ-DEOSSOPVSA-N 0 0 441.487 4.138 50 0 IIAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCCCN2CCOCC2)cc1 ZINC000021799434 525709993 /nfs/dbraw/zinc/70/99/93/525709993.db2.gz IVIVEFQUEBYSMZ-UHFFFAOYSA-N 0 0 433.478 4.166 50 0 IIAARN COc1cccc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3OC)c2)c1 ZINC000012073665 525712910 /nfs/dbraw/zinc/71/29/10/525712910.db2.gz LCRMFLMLMGNFPZ-QHCPKHFHSA-N 0 0 445.519 4.399 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(C)ccc3C)n2)c1 ZINC000015670461 525718720 /nfs/dbraw/zinc/71/87/20/525718720.db2.gz SAOCYIXRFWUPSZ-FQEVSTJZSA-N 0 0 440.507 4.132 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)c(C)c3)n2)c1 ZINC000021726780 525718738 /nfs/dbraw/zinc/71/87/38/525718738.db2.gz DKWOJKXBJGHWRV-FQEVSTJZSA-N 0 0 440.507 4.132 50 0 IIAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000015944384 525726958 /nfs/dbraw/zinc/72/69/58/525726958.db2.gz KYNYGAVYVOZZDX-AUMHUTNHSA-N 0 0 440.565 4.045 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3n2)o1 ZINC000012539786 525728639 /nfs/dbraw/zinc/72/86/39/525728639.db2.gz GNIYRKVGNKCNDD-UHFFFAOYSA-N 0 0 435.505 4.306 50 0 IIAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000012762491 525765620 /nfs/dbraw/zinc/76/56/20/525765620.db2.gz GZVOEWNDJMRXTE-UHFFFAOYSA-N 0 0 444.553 4.009 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)Cc1ccc(Cl)cc1Cl ZINC000012867599 525766627 /nfs/dbraw/zinc/76/66/27/525766627.db2.gz FEFFMHYPMCODSN-UHFFFAOYSA-N 0 0 428.747 4.142 50 0 IIAARN Cc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2cccs2)cc1 ZINC000012911653 525772885 /nfs/dbraw/zinc/77/28/85/525772885.db2.gz LTAWJRURSHNTHZ-OAQYLSRUSA-N 0 0 439.606 4.413 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000021862165 525793704 /nfs/dbraw/zinc/79/37/04/525793704.db2.gz IVJLWBQWNWSENF-SANMLTNESA-N 0 0 448.542 4.429 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1 ZINC000021862010 525793840 /nfs/dbraw/zinc/79/38/40/525793840.db2.gz XOWXPYSCWSDZRE-SANMLTNESA-N 0 0 430.552 4.290 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)c1OC ZINC000023143909 525834141 /nfs/dbraw/zinc/83/41/41/525834141.db2.gz MWOSWTHNVNBWQO-UHFFFAOYSA-N 0 0 433.439 4.103 50 0 IIAARN Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cnn(Cc5ccccc5F)c4)C(=S)N32)cc1 ZINC000020607403 525863883 /nfs/dbraw/zinc/86/38/83/525863883.db2.gz PVTUKFQWJXJMLM-FPOVZHCZSA-N 0 0 438.553 4.127 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000012759457 525877637 /nfs/dbraw/zinc/87/76/37/525877637.db2.gz YBSHGFLJJBRMOC-UHFFFAOYSA-N 0 0 431.323 4.310 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000033302311 525893724 /nfs/dbraw/zinc/89/37/24/525893724.db2.gz LPPGGQNSEHJBKA-UHFFFAOYSA-N 0 0 436.581 4.031 50 0 IIAARN C[C@@H](OC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(=O)Nc1ccccc1F ZINC000021543499 525895071 /nfs/dbraw/zinc/89/50/71/525895071.db2.gz YDSCOQVNGXHDHY-QRQCRPRQSA-N 0 0 433.435 4.464 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526556 525930246 /nfs/dbraw/zinc/93/02/46/525930246.db2.gz RQBVVBJECYEHKY-AREMUKBSSA-N 0 0 449.551 4.497 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021780718 525930278 /nfs/dbraw/zinc/93/02/78/525930278.db2.gz QMYJLZGQPCJJQQ-QVTSAQFISA-N 0 0 449.551 4.353 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000013583585 534892405 /nfs/dbraw/zinc/89/24/05/534892405.db2.gz XDHUZFMRTZKKFE-UHFFFAOYSA-N 0 0 434.517 4.283 50 0 IIAARN Cc1ccc(-n2ncc(NC[C@H](O)c3ccc(F)c(F)c3)c(Cl)c2=O)cc1Cl ZINC000065477155 525932331 /nfs/dbraw/zinc/93/23/31/525932331.db2.gz UORWHVKNKVJBDK-KRWDZBQOSA-N 0 0 426.250 4.271 50 0 IIAARN Cc1cn2c(nc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)cc2=O)s1 ZINC000035475923 525941573 /nfs/dbraw/zinc/94/15/73/525941573.db2.gz LUMBDSRZDMRUDQ-MRXNPFEDSA-N 0 0 435.505 4.049 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4)ccc3O[C@H](C)C2=O)c1 ZINC000035909250 525959147 /nfs/dbraw/zinc/95/91/47/525959147.db2.gz AWHREKCWXVKCRE-MRXNPFEDSA-N 0 0 434.467 4.396 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4)ccc3O[C@@H](C)C2=O)c1OC ZINC000035909722 525959715 /nfs/dbraw/zinc/95/97/15/525959715.db2.gz OTXFCWVZLLJVOJ-KRWDZBQOSA-N 0 0 446.503 4.266 50 0 IIAARN COc1cccc(CNC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000012774526 525967536 /nfs/dbraw/zinc/96/75/36/525967536.db2.gz QCPGYBXMBCYSID-UHFFFAOYSA-N 0 0 433.533 4.149 50 0 IIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1F ZINC000021935732 525972011 /nfs/dbraw/zinc/97/20/11/525972011.db2.gz YZEDPVODYKBXQS-MNOVXSKESA-N 0 0 430.892 4.218 50 0 IIAARN C[C@H](C(=O)N1CCCc2ccccc21)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057667 525979781 /nfs/dbraw/zinc/97/97/81/525979781.db2.gz LPRXPNKHKURBIG-CQSZACIVSA-N 0 0 434.883 4.245 50 0 IIAARN C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000015496447 525980486 /nfs/dbraw/zinc/98/04/86/525980486.db2.gz IKBHUBYJKUUNRF-CYBMUJFWSA-N 0 0 438.532 4.086 50 0 IIAARN CSc1ccc(CNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)cc1 ZINC000021530263 526000069 /nfs/dbraw/zinc/00/00/69/526000069.db2.gz DIVTVEINGXACHR-UHFFFAOYSA-N 0 0 435.574 4.372 50 0 IIAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012776008 526003159 /nfs/dbraw/zinc/00/31/59/526003159.db2.gz UIIYLRVZEABBNY-ZJRYTYELSA-N 0 0 449.580 4.087 50 0 IIAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012557091 526014244 /nfs/dbraw/zinc/01/42/44/526014244.db2.gz YDIDUGQUXMGJHF-GFCCVEGCSA-N 0 0 434.568 4.017 50 0 IIAARN C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000016412306 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IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000000670386 555530810 /nfs/dbraw/zinc/53/08/10/555530810.db2.gz BQCOIESWVCUJGG-UHFFFAOYSA-N 0 0 443.912 4.352 50 0 IIAARN CC(C)c1ccccc1OCC(=O)N1CCN(C(=O)COc2ccccc2C(C)C)CC1 ZINC000000677023 555535461 /nfs/dbraw/zinc/53/54/61/555535461.db2.gz UILNSCZYYVVFOG-UHFFFAOYSA-N 0 0 438.568 4.062 50 0 IIAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000677033 555535468 /nfs/dbraw/zinc/53/54/68/555535468.db2.gz GVEOBPHLDJIIAI-UHFFFAOYSA-N 0 0 430.570 4.392 50 0 IIAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Cl)ccc2OC)sc2c1CCC2 ZINC000000678687 555536330 /nfs/dbraw/zinc/53/63/30/555536330.db2.gz GKRPCUNCYYVTLI-UHFFFAOYSA-N 0 0 438.958 4.202 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1Br ZINC000000678873 555536356 /nfs/dbraw/zinc/53/63/56/555536356.db2.gz QXZWCRTXBFWQMY-UHFFFAOYSA-N 0 0 434.359 4.185 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000000706542 555545056 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555740342 /nfs/dbraw/zinc/74/03/42/555740342.db2.gz XEOAUCVSSCQWKB-NRFANRHFSA-N 0 0 436.493 4.214 50 0 IIAARN CCCCCn1c(=O)[nH]nc1SCc1nc(-c2ccccc2)sc1C(=O)OCC ZINC000002148550 555749336 /nfs/dbraw/zinc/74/93/36/555749336.db2.gz NWIWDDZSMGJJAT-UHFFFAOYSA-N 0 0 432.571 4.354 50 0 IIAARN COc1cc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc(OC)c1 ZINC000002147672 555749371 /nfs/dbraw/zinc/74/93/71/555749371.db2.gz MDCZRKRPUWRYAD-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000002177772 555752717 /nfs/dbraw/zinc/75/27/17/555752717.db2.gz MIKJKURNOIUEQP-UHFFFAOYSA-N 0 0 440.550 4.043 50 0 IIAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(O)cc2)s1 ZINC000002234928 555760488 /nfs/dbraw/zinc/76/04/88/555760488.db2.gz DDLXEZICAILHIF-GOSISDBHSA-N 0 0 437.452 4.192 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 ZINC000002241389 555761594 /nfs/dbraw/zinc/76/15/94/555761594.db2.gz JVCFWEFGFYTSNT-UHFFFAOYSA-N 0 0 436.928 4.417 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ZINC000008583773 556188014 /nfs/dbraw/zinc/18/80/14/556188014.db2.gz OGWCIZLMAQCPAQ-UHFFFAOYSA-N 0 0 443.503 4.270 50 0 IIAARN Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccc(F)cc2)c2ccccc12)c1c(C)[nH][nH]c1=O ZINC000008690031 556200217 /nfs/dbraw/zinc/20/02/17/556200217.db2.gz NFWLZUZBNZNKQN-UHFFFAOYSA-N 0 0 431.471 4.483 50 0 IIAARN Cc1ccc(CNC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1 ZINC000008694510 556200765 /nfs/dbraw/zinc/20/07/65/556200765.db2.gz KRIZUEADXZJAAG-YADHBBJMSA-N 0 0 441.560 4.329 50 0 IIAARN CSc1nnc2c(n1)O[C@H](c1cc3c(cc1Cl)OCO3)N(C(C)=O)c1ccccc1-2 ZINC000008694491 556200831 /nfs/dbraw/zinc/20/08/31/556200831.db2.gz MAWFODRPKQDLHN-LJQANCHMSA-N 0 0 442.884 4.087 50 0 IIAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)cc1 ZINC000008721697 556202998 /nfs/dbraw/zinc/20/29/98/556202998.db2.gz PPZZMXIMDBDSCJ-MRXNPFEDSA-N 0 0 443.455 4.232 50 0 IIAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)cc1 ZINC000008721698 556203080 /nfs/dbraw/zinc/20/30/80/556203080.db2.gz PPZZMXIMDBDSCJ-INIZCTEOSA-N 0 0 443.455 4.232 50 0 IIAARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 ZINC000008971791 556237662 /nfs/dbraw/zinc/23/76/62/556237662.db2.gz VRJRPUKSXALTAH-LIRRHRJNSA-N 0 0 429.900 4.016 50 0 IIAARN O=S(=O)(NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)c1ccccc1 ZINC000008990101 556238793 /nfs/dbraw/zinc/23/87/93/556238793.db2.gz HSUAVFSBJDODNG-MRXNPFEDSA-N 0 0 449.359 4.441 50 0 IIAARN CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000009067692 556244921 /nfs/dbraw/zinc/24/49/21/556244921.db2.gz OJZZYARVTZJEFS-WQTXXOFMSA-N 0 0 430.526 4.086 50 0 IIAARN Cc1ccc2nc3c(cc(C(=O)Nc4ccccc4F)n3Cc3ccccc3)c(=O)n2c1 ZINC000009187510 556250845 /nfs/dbraw/zinc/25/08/45/556250845.db2.gz PYYNAGPKVUQKMY-UHFFFAOYSA-N 0 0 426.451 4.397 50 0 IIAARN O=c1[nH]c(CSc2nnc(-c3ccccc3O)n2-c2ccccc2)nc2ccccc21 ZINC000009189757 556252639 /nfs/dbraw/zinc/25/26/39/556252639.db2.gz IIWNSTCJOKVRLE-UHFFFAOYSA-N 0 0 427.489 4.169 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1C ZINC000009198581 556256440 /nfs/dbraw/zinc/25/64/40/556256440.db2.gz ZBIOKIMXIJYTPA-INIZCTEOSA-N 0 0 438.578 4.406 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 ZINC000009199794 556257353 /nfs/dbraw/zinc/25/73/53/556257353.db2.gz ZXEMCHGKLBOECT-MRXNPFEDSA-N 0 0 436.537 4.326 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NC[C@@H](C)c1ccccc1)nnc2C ZINC000009224484 556257966 /nfs/dbraw/zinc/25/79/66/556257966.db2.gz LSVNQXBHGFBVMW-MRXNPFEDSA-N 0 0 431.565 4.444 50 0 IIAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000009226906 556260669 /nfs/dbraw/zinc/26/06/69/556260669.db2.gz NGGXKYVENKVKBU-UHFFFAOYSA-N 0 0 429.567 4.483 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccc(F)cc4)cc3)C2)cc1 ZINC000009231936 556261284 /nfs/dbraw/zinc/26/12/84/556261284.db2.gz BKFXDWBIKBLDPP-HXUWFJFHSA-N 0 0 448.494 4.083 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009238989 556265295 /nfs/dbraw/zinc/26/52/95/556265295.db2.gz AKUCACZQUHRJOK-QZTJIDSGSA-N 0 0 429.933 4.036 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239165 556265588 /nfs/dbraw/zinc/26/55/88/556265588.db2.gz ISIDTWMTQMWPBC-RTBURBONSA-N 0 0 443.960 4.209 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239169 556265613 /nfs/dbraw/zinc/26/56/13/556265613.db2.gz ISIDTWMTQMWPBC-OALUTQOASA-N 0 0 443.960 4.209 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013684930 556275519 /nfs/dbraw/zinc/27/55/19/556275519.db2.gz RCYKKJIMUWOJBR-UHFFFAOYSA-N 0 0 437.805 4.032 50 0 IIAARN Cn1c(CNC(=O)c2ccc(F)c(Cl)c2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013690709 556279996 /nfs/dbraw/zinc/27/99/96/556279996.db2.gz KQCBVAAYTDEKFP-UHFFFAOYSA-N 0 0 426.835 4.141 50 0 IIAARN O=c1n2nc(-c3cccnc3)nc2c2c3c(sc2n1CCc1ccccc1)CCCC3 ZINC000013691846 556281455 /nfs/dbraw/zinc/28/14/55/556281455.db2.gz SLQUZFZKACQMAW-UHFFFAOYSA-N 0 0 427.533 4.289 50 0 IIAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000009328311 556282388 /nfs/dbraw/zinc/28/23/88/556282388.db2.gz CWBIPDWSXINXLR-UHFFFAOYSA-N 0 0 428.945 4.165 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(Cl)cc1Cl ZINC000013693316 556282879 /nfs/dbraw/zinc/28/28/79/556282879.db2.gz ALHSHVUMBIJFRV-UHFFFAOYSA-N 0 0 432.307 4.447 50 0 IIAARN COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2OC)cc1 ZINC000009371661 556286480 /nfs/dbraw/zinc/28/64/80/556286480.db2.gz VHUMJECEXHHYAP-JOCHJYFZSA-N 0 0 447.487 4.183 50 0 IIAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccccc1 ZINC000009431040 556291319 /nfs/dbraw/zinc/29/13/19/556291319.db2.gz QJAKEGLQICGTMW-UHFFFAOYSA-N 0 0 434.517 4.241 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCCO1)occ3-c1ccc(F)cc1 ZINC000009429836 556291334 /nfs/dbraw/zinc/29/13/34/556291334.db2.gz ZRBCAKWXUKSCAZ-KRWDZBQOSA-N 0 0 435.451 4.491 50 0 IIAARN Cc1c(NC(=O)CSCc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000009434489 556291610 /nfs/dbraw/zinc/29/16/10/556291610.db2.gz DPGZCCVUZMNAKT-UHFFFAOYSA-N 0 0 446.370 4.119 50 0 IIAARN FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCN(CCc3ccncc3)CC2)c1 ZINC000013723866 556291861 /nfs/dbraw/zinc/29/18/61/556291861.db2.gz FUYPWWAFGFPOCC-UHFFFAOYSA-N 0 0 428.911 4.311 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000013735513 556297481 /nfs/dbraw/zinc/29/74/81/556297481.db2.gz MSWLGUXZVOHXJJ-DENIHFKCSA-N 0 0 437.521 4.172 50 0 IIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 ZINC000009560019 556299160 /nfs/dbraw/zinc/29/91/60/556299160.db2.gz YJMXYZPLISFXDN-AWEZNQCLSA-N 0 0 434.275 4.343 50 0 IIAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 ZINC000009560012 556299163 /nfs/dbraw/zinc/29/91/63/556299163.db2.gz YAZVCNDFVUKQBP-OAHLLOKOSA-N 0 0 434.275 4.343 50 0 IIAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4Cl)n3C3CCCCC3)c2c(=O)n(C)c1=O ZINC000013770785 556305242 /nfs/dbraw/zinc/30/52/42/556305242.db2.gz XGPVKANTCPEJIO-UHFFFAOYSA-N 0 0 446.338 4.165 50 0 IIAARN C[C@@]1(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000032738435 556308524 /nfs/dbraw/zinc/30/85/24/556308524.db2.gz XEDNUAPVJJRPPS-MHZLTWQESA-N 0 0 437.499 4.327 50 0 IIAARN CCOc1cc(C(=O)N(C)Cc2cc3ccc(C)cc3[nH]c2=O)cc(OCC)c1OCC ZINC000013788034 556309500 /nfs/dbraw/zinc/30/95/00/556309500.db2.gz CADCNHZNTQQRRH-UHFFFAOYSA-N 0 0 438.524 4.305 50 0 IIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ncccc3c2=O)cc1 ZINC000009830411 556310988 /nfs/dbraw/zinc/31/09/88/556310988.db2.gz YQZLWMRFPGNFQI-UHFFFAOYSA-N 0 0 446.532 4.219 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000009892333 556315616 /nfs/dbraw/zinc/31/56/16/556315616.db2.gz NGSABIPVYFCZBH-FQEVSTJZSA-N 0 0 435.505 4.123 50 0 IIAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000009892635 556315633 /nfs/dbraw/zinc/31/56/33/556315633.db2.gz PFAJMIGKPPVDQW-UHFFFAOYSA-N 0 0 435.293 4.088 50 0 IIAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C)cc2)c(OC)cc1Cl ZINC000009905543 556315965 /nfs/dbraw/zinc/31/59/65/556315965.db2.gz VRNJIRBDRIEAOD-FQEVSTJZSA-N 0 0 439.903 4.185 50 0 IIAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000013843150 556318242 /nfs/dbraw/zinc/31/82/42/556318242.db2.gz CHLMOMWZBYUKOB-XUVXKRRUSA-N 0 0 440.931 4.012 50 0 IIAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(I)c1 ZINC000032759342 556319042 /nfs/dbraw/zinc/31/90/42/556319042.db2.gz YCASVYKDXDJCJJ-UHFFFAOYSA-N 0 0 427.311 4.487 50 0 IIAARN CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(CCC)CCC)cc2)c1 ZINC000009971366 556319554 /nfs/dbraw/zinc/31/95/54/556319554.db2.gz WECKSASVNOZNSC-UHFFFAOYSA-N 0 0 445.585 4.488 50 0 IIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)cc2)n1 ZINC000032760425 556320457 /nfs/dbraw/zinc/32/04/57/556320457.db2.gz LYCRSTGFMXRACL-NRFANRHFSA-N 0 0 432.549 4.488 50 0 IIAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000032754431 556323782 /nfs/dbraw/zinc/32/37/82/556323782.db2.gz MCOGCJINZMMCNS-UHFFFAOYSA-N 0 0 444.564 4.200 50 0 IIAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(C)cc3C)C2=O)cc1OC ZINC000010059208 556324131 /nfs/dbraw/zinc/32/41/31/556324131.db2.gz GFMWUERQBJBULI-HHHXNRCGSA-N 0 0 445.515 4.328 50 0 IIAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)Cc1c[nH]c2ccccc12 ZINC000013880570 556325978 /nfs/dbraw/zinc/32/59/78/556325978.db2.gz CNSDRKCAJUPOLD-HFZDXXHNSA-N 0 0 439.600 4.336 50 0 IIAARN CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000013896681 556329555 /nfs/dbraw/zinc/32/95/55/556329555.db2.gz DYOVLODOSBMNBZ-UHFFFAOYSA-N 0 0 445.322 4.443 50 0 IIAARN Cc1ccc(-c2noc(CCC(=O)Oc3ccc(I)cc3)n2)cc1 ZINC000032777964 556331236 /nfs/dbraw/zinc/33/12/36/556331236.db2.gz JWIMHVWPVUARMY-UHFFFAOYSA-N 0 0 434.233 4.188 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1=O ZINC000032764635 556331973 /nfs/dbraw/zinc/33/19/73/556331973.db2.gz LFYFEWHLQUUODF-GXTWGEPZSA-N 0 0 438.858 4.180 50 0 IIAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000032771321 556335296 /nfs/dbraw/zinc/33/52/96/556335296.db2.gz RCIFAJJZPFZGQO-ZDUSSCGKSA-N 0 0 439.459 4.248 50 0 IIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2)CC1=O ZINC000010461938 556335471 /nfs/dbraw/zinc/33/54/71/556335471.db2.gz JWFOFKBLOPHKDR-INIZCTEOSA-N 0 0 443.931 4.188 50 0 IIAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1=O ZINC000010462084 556335609 /nfs/dbraw/zinc/33/56/09/556335609.db2.gz QPBCJWOUGJHNBF-KRWDZBQOSA-N 0 0 427.932 4.488 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 ZINC000013944359 556341385 /nfs/dbraw/zinc/34/13/85/556341385.db2.gz BMSPMKSNEUEZTD-CYBMUJFWSA-N 0 0 442.928 4.281 50 0 IIAARN CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944940 556342311 /nfs/dbraw/zinc/34/23/11/556342311.db2.gz VIRMNPSUDIPRLX-HNNXBMFYSA-N 0 0 443.548 4.092 50 0 IIAARN Cc1nccn1CC[C@@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1ccccc1 ZINC000011661613 556343138 /nfs/dbraw/zinc/34/31/38/556343138.db2.gz ILUKBAIDOXJAOR-OAQYLSRUSA-N 0 0 434.931 4.046 50 0 IIAARN O=C(c1nc2sccn2c1CN1CCC(OCc2ccccc2)CC1)N1CCCCC1 ZINC000011664525 556345367 /nfs/dbraw/zinc/34/53/67/556345367.db2.gz TWUGCMBPVZTLAE-UHFFFAOYSA-N 0 0 438.597 4.203 50 0 IIAARN O=C(c1ccc(COc2ccccc2Cl)cc1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000013958075 556345617 /nfs/dbraw/zinc/34/56/17/556345617.db2.gz AXVSGYQUKZHUMS-LJQANCHMSA-N 0 0 430.785 4.340 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781497 556349590 /nfs/dbraw/zinc/34/95/90/556349590.db2.gz OVQYVZWCGVBGEM-QKKBWIMNSA-N 0 0 426.538 4.476 50 0 IIAARN CC(C)N(C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1)c1ccccc1 ZINC000013987614 556352519 /nfs/dbraw/zinc/35/25/19/556352519.db2.gz QOTWTUGAPRCVJH-UHFFFAOYSA-N 0 0 430.504 4.466 50 0 IIAARN COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2ccccc2C(F)(F)F)C3)nn1 ZINC000011786441 556353566 /nfs/dbraw/zinc/35/35/66/556353566.db2.gz UOBSFNUSCGGTGD-HNNXBMFYSA-N 0 0 443.425 4.213 50 0 IIAARN O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000011786640 556353569 /nfs/dbraw/zinc/35/35/69/556353569.db2.gz HYNYABAXQSXPEF-FQEVSTJZSA-N 0 0 445.485 4.092 50 0 IIAARN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OCC)c1 ZINC000014009044 556354182 /nfs/dbraw/zinc/35/41/82/556354182.db2.gz PVMQPMSYPSCSFQ-NDENLUEZSA-N 0 0 440.521 4.467 50 0 IIAARN CC(C)Cn1c(CNC(=O)/C=C/c2cccc(F)c2)nnc1SCc1ccncc1 ZINC000011790179 556355403 /nfs/dbraw/zinc/35/54/03/556355403.db2.gz UYVUUUBLMYDDGT-VOTSOKGWSA-N 0 0 425.533 4.090 50 0 IIAARN Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)NC4CC4)c(Cl)cc3Cl)ccc2o1 ZINC000014014791 556355568 /nfs/dbraw/zinc/35/55/68/556355568.db2.gz SGDPVZRMFMBFKD-UHFFFAOYSA-N 0 0 440.308 4.136 50 0 IIAARN CC(C)c1ccc(-c2noc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 ZINC000014019512 556356244 /nfs/dbraw/zinc/35/62/44/556356244.db2.gz CXKOIUOFKUQKKL-FQEVSTJZSA-N 0 0 429.480 4.004 50 0 IIAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000011813469 556356910 /nfs/dbraw/zinc/35/69/10/556356910.db2.gz IIIHOALIOHBKQQ-MRXNPFEDSA-N 0 0 432.952 4.152 50 0 IIAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000011814584 556357930 /nfs/dbraw/zinc/35/79/30/556357930.db2.gz WURZVIPYKODHDE-UHFFFAOYSA-N 0 0 440.482 4.077 50 0 IIAARN Cc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1 ZINC000022933575 556358991 /nfs/dbraw/zinc/35/89/91/556358991.db2.gz LUDPHAMMASWANE-UHFFFAOYSA-N 0 0 434.609 4.492 50 0 IIAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000014067538 556359708 /nfs/dbraw/zinc/35/97/08/556359708.db2.gz WOACNWSNOWYUNF-SFHVURJKSA-N 0 0 434.546 4.206 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000011818026 556360497 /nfs/dbraw/zinc/36/04/97/556360497.db2.gz IFJTUJKIXJXBIH-VWLOTQADSA-N 0 0 435.499 4.040 50 0 IIAARN O=C(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000032796787 556362410 /nfs/dbraw/zinc/36/24/10/556362410.db2.gz JYAJYCSLVQKMIT-UHFFFAOYSA-N 0 0 425.350 4.278 50 0 IIAARN COc1cc(CCC(=O)OCc2ccc(F)cc2Br)cc(OC)c1OC ZINC000014081255 556362818 /nfs/dbraw/zinc/36/28/18/556362818.db2.gz LXARSVYPWUEIAO-UHFFFAOYSA-N 0 0 427.266 4.290 50 0 IIAARN CCOc1ccccc1N1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000032803399 556365662 /nfs/dbraw/zinc/36/56/62/556365662.db2.gz FHXDRDYWLTUGQW-MRXNPFEDSA-N 0 0 432.362 4.441 50 0 IIAARN c1coc(CCNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)c1 ZINC000014094237 556366207 /nfs/dbraw/zinc/36/62/07/556366207.db2.gz GSKXOQIDSFVNCZ-UHFFFAOYSA-N 0 0 426.567 4.500 50 0 IIAARN CCn1c2ccccc2nc1SCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000014094917 556366886 /nfs/dbraw/zinc/36/68/86/556366886.db2.gz YJXBDRLYRMBTAY-UHFFFAOYSA-N 0 0 448.548 4.334 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1OC ZINC000011844419 556367507 /nfs/dbraw/zinc/36/75/07/556367507.db2.gz MBBFMGRMILBGFF-KRWDZBQOSA-N 0 0 444.959 4.306 50 0 IIAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000011873936 556370265 /nfs/dbraw/zinc/37/02/65/556370265.db2.gz DZXQKHQYQLIHFC-UHFFFAOYSA-N 0 0 434.515 4.461 50 0 IIAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878387 556370965 /nfs/dbraw/zinc/37/09/65/556370965.db2.gz FBIXUFFHGSQSBH-SFHVURJKSA-N 0 0 444.597 4.277 50 0 IIAARN CC(=O)N(C)Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000014142099 556377223 /nfs/dbraw/zinc/37/72/23/556377223.db2.gz ZMRDZNHFDFRWBZ-UHFFFAOYSA-N 0 0 440.594 4.219 50 0 IIAARN COc1cccc(-c2nc(COC(=O)[C@@H](C)n3c(=O)oc4ccccc43)cs2)c1OC ZINC000014165793 556379338 /nfs/dbraw/zinc/37/93/38/556379338.db2.gz LNAIZYQDGDIBHS-CYBMUJFWSA-N 0 0 440.477 4.040 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cccc(-c5ccccn5)c4O3)cc2)n1 ZINC000011974691 556382928 /nfs/dbraw/zinc/38/29/28/556382928.db2.gz TVPZOQIABLJCOX-QHCPKHFHSA-N 0 0 438.531 4.344 50 0 IIAARN CSc1nnc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1-c1ccccc1C ZINC000011981561 556383467 /nfs/dbraw/zinc/38/34/67/556383467.db2.gz DGPJARUPDOOFKF-UHFFFAOYSA-N 0 0 435.578 4.280 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Br)cc1 ZINC000014183994 556384089 /nfs/dbraw/zinc/38/40/89/556384089.db2.gz LKGIVHJVPVRVEA-UHFFFAOYSA-N 0 0 436.331 4.098 50 0 IIAARN Cc1cc2occ(CC(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)c2cc1C ZINC000014185319 556385435 /nfs/dbraw/zinc/38/54/35/556385435.db2.gz WDKCADGWCWOPQG-UHFFFAOYSA-N 0 0 432.476 4.449 50 0 IIAARN Cc1nonc1[C@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012001427 556385561 /nfs/dbraw/zinc/38/55/61/556385561.db2.gz IJXHNIGENMBPIM-OAQYLSRUSA-N 0 0 443.507 4.356 50 0 IIAARN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000014186051 556385762 /nfs/dbraw/zinc/38/57/62/556385762.db2.gz ZQCGFZZYAFYGDT-CYBMUJFWSA-N 0 0 434.439 4.245 50 0 IIAARN COc1ccc(N(CCC(N)=O)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000014186130 556386022 /nfs/dbraw/zinc/38/60/22/556386022.db2.gz IKZRXRXUIFZLNY-UHFFFAOYSA-N 0 0 446.532 4.132 50 0 IIAARN O=c1c(C(F)(F)F)c2c(nn1CN1CCc3sccc3[C@@H]1c1cccs1)CCC2 ZINC000014187122 556386431 /nfs/dbraw/zinc/38/64/31/556386431.db2.gz IPQDSQZCJSANFY-GOSISDBHSA-N 0 0 437.512 4.479 50 0 IIAARN CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCCC1 ZINC000014197374 556388791 /nfs/dbraw/zinc/38/87/91/556388791.db2.gz ALVFCFIDMQAGLP-UHFFFAOYSA-N 0 0 426.582 4.228 50 0 IIAARN O=C(CSc1nnnn1C1CCCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014197886 556389511 /nfs/dbraw/zinc/38/95/11/556389511.db2.gz RYBPNYIWLZAKEA-HNNXBMFYSA-N 0 0 442.614 4.286 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1I ZINC000014200202 556390900 /nfs/dbraw/zinc/39/09/00/556390900.db2.gz BTXKYXJSGFKBEI-GOSISDBHSA-N 0 0 432.261 4.194 50 0 IIAARN COc1cc(OC)c(OC)cc1CN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012041990 556391190 /nfs/dbraw/zinc/39/11/90/556391190.db2.gz SEJCKDLXGBQHKE-HSZRJFAPSA-N 0 0 449.547 4.383 50 0 IIAARN CCC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000012049490 556392024 /nfs/dbraw/zinc/39/20/24/556392024.db2.gz YWHJUVMCJPRETP-MRXNPFEDSA-N 0 0 429.948 4.343 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)s2)cc1F ZINC000032817103 556393176 /nfs/dbraw/zinc/39/31/76/556393176.db2.gz FUUZUVDPUIZELJ-INIZCTEOSA-N 0 0 427.501 4.265 50 0 IIAARN Cc1cc(=O)c(C(=O)NCc2ccccc2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000012056249 556394199 /nfs/dbraw/zinc/39/41/99/556394199.db2.gz ZTGXFPQBWBXANP-UHFFFAOYSA-N 0 0 437.543 4.315 50 0 IIAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccs1)c1ccc(F)cc1 ZINC000014228800 556396120 /nfs/dbraw/zinc/39/61/20/556396120.db2.gz PNKUJJHWAAYHDO-QFIPXVFZSA-N 0 0 435.524 4.069 50 0 IIAARN CN(C)C(=O)[C@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000032810469 556397037 /nfs/dbraw/zinc/39/70/37/556397037.db2.gz ZMEXXMJQDMEXMH-DHIUTWEWSA-N 0 0 432.545 4.402 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 ZINC000014232164 556398293 /nfs/dbraw/zinc/39/82/93/556398293.db2.gz QFDGYASRSOOLND-UHFFFAOYSA-N 0 0 434.583 4.141 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C1 ZINC000014237318 556399722 /nfs/dbraw/zinc/39/97/22/556399722.db2.gz GJKSZWFERPMOEH-HDICACEKSA-N 0 0 444.622 4.496 50 0 IIAARN Cc1ccc([C@@H](OC[C@H](O)CSc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014238246 556399978 /nfs/dbraw/zinc/39/99/78/556399978.db2.gz BCYQJVMRCZQOEV-GOTSBHOMSA-N 0 0 432.549 4.230 50 0 IIAARN Cc1ccc([C@H](OC[C@H](O)CSc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014238251 556400012 /nfs/dbraw/zinc/40/00/12/556400012.db2.gz BCYQJVMRCZQOEV-XZOQPEGZSA-N 0 0 432.549 4.230 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1COc1ccccc1 ZINC000014242386 556402919 /nfs/dbraw/zinc/40/29/19/556402919.db2.gz FAKWYDCNIITLRH-UHFFFAOYSA-N 0 0 436.533 4.302 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000032579171 556404723 /nfs/dbraw/zinc/40/47/23/556404723.db2.gz NZIKGKYKTGDFFA-UHFFFAOYSA-N 0 0 445.475 4.263 50 0 IIAARN COc1cc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc(OC)c1 ZINC000032578895 556405725 /nfs/dbraw/zinc/40/57/25/556405725.db2.gz JWJMQRAYUDFZKG-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219256574 556406388 /nfs/dbraw/zinc/40/63/88/556406388.db2.gz WPVGDFSFZPFLIJ-SFHVURJKSA-N 0 0 445.484 4.303 50 0 IIAARN COc1cc([C@@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc(OC)c1O ZINC000032593621 556407254 /nfs/dbraw/zinc/40/72/54/556407254.db2.gz DLIMRLDIOJJIOA-JOCHJYFZSA-N 0 0 445.475 4.148 50 0 IIAARN CCn1cc(C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)c(=O)c2ccc(C)nc21 ZINC000219321637 556409715 /nfs/dbraw/zinc/40/97/15/556409715.db2.gz ZJYSXMWLNKKMPJ-HXUWFJFHSA-N 0 0 443.519 4.323 50 0 IIAARN CC(C)CNC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000014287632 556411652 /nfs/dbraw/zinc/41/16/52/556411652.db2.gz HSUJRTNHNDPYGL-UHFFFAOYSA-N 0 0 425.554 4.368 50 0 IIAARN Cc1sc2nc(-c3ccccc3)nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1C ZINC000014331165 556413471 /nfs/dbraw/zinc/41/34/71/556413471.db2.gz VARHKLDBAJYDJK-LJQANCHMSA-N 0 0 436.581 4.050 50 0 IIAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000032672218 556415077 /nfs/dbraw/zinc/41/50/77/556415077.db2.gz FQOLCKXMFMRQFJ-GOSISDBHSA-N 0 0 438.524 4.001 50 0 IIAARN COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032672269 556415090 /nfs/dbraw/zinc/41/50/90/556415090.db2.gz SAOOLXBVEBKYTD-LBPRGKRZSA-N 0 0 433.917 4.184 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)[nH]n2)cc1 ZINC000014400222 556415349 /nfs/dbraw/zinc/41/53/49/556415349.db2.gz XQMKCMRCOZPTTQ-UHFFFAOYSA-N 0 0 441.329 4.167 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000032675932 556415987 /nfs/dbraw/zinc/41/59/87/556415987.db2.gz CZODFSWFOJERQX-UHFFFAOYSA-N 0 0 442.924 4.273 50 0 IIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2C[C@@H]1C ZINC000012969433 556418855 /nfs/dbraw/zinc/41/88/55/556418855.db2.gz LUSZGLKZRUGRMM-VBKZILBWSA-N 0 0 441.578 4.120 50 0 IIAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014463292 556419391 /nfs/dbraw/zinc/41/93/91/556419391.db2.gz JDMILBIPXUVFTL-FQEVSTJZSA-N 0 0 430.428 4.464 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4cc(C)ccc4C)cs3)cc2C1=O ZINC000012974719 556420532 /nfs/dbraw/zinc/42/05/32/556420532.db2.gz ABZBMYSKJNSHIA-UHFFFAOYSA-N 0 0 449.532 4.312 50 0 IIAARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)NCCc1ccccc1 ZINC000012975975 556421588 /nfs/dbraw/zinc/42/15/88/556421588.db2.gz BGARYBGSLZAADB-KRWDZBQOSA-N 0 0 427.566 4.298 50 0 IIAARN CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012980797 556424307 /nfs/dbraw/zinc/42/43/07/556424307.db2.gz WVUJAUCTYYXUEX-UHFFFAOYSA-N 0 0 445.563 4.252 50 0 IIAARN COc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1 ZINC000012987117 556427304 /nfs/dbraw/zinc/42/73/04/556427304.db2.gz PZLGUVIRFKHVQR-UHFFFAOYSA-N 0 0 434.448 4.427 50 0 IIAARN CCOc1cc2c(cc1NC(=O)CSc1nnc(-c3ccc(OC)cc3)o1)O[C@H](C)C2 ZINC000032842453 556427876 /nfs/dbraw/zinc/42/78/76/556427876.db2.gz ZCDUNHWSXXOUFJ-CYBMUJFWSA-N 0 0 441.509 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/nfs/dbraw/zinc/60/77/93/556607793.db2.gz VIULQMBZPBNPFF-VPXYDPCSSA-N 0 0 427.595 4.265 50 0 IIAARN CCCCc1ccc(NC(=O)CCS[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000016447935 556608294 /nfs/dbraw/zinc/60/82/94/556608294.db2.gz SZMZHMPOCPKONQ-OAQYLSRUSA-N 0 0 440.565 4.432 50 0 IIAARN Cc1ccc(Sc2ccc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2)cc1C ZINC000016479802 556611372 /nfs/dbraw/zinc/61/13/72/556611372.db2.gz KIDXYODTXKDWKY-UHFFFAOYSA-N 0 0 449.576 4.444 50 0 IIAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000032995829 556611423 /nfs/dbraw/zinc/61/14/23/556611423.db2.gz DGCWTPQQUSYTBP-KRWDZBQOSA-N 0 0 431.517 4.425 50 0 IIAARN C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)C1 ZINC000032915293 556611853 /nfs/dbraw/zinc/61/18/53/556611853.db2.gz IYLLZQUXCJJTOH-IBGZPJMESA-N 0 0 446.551 4.243 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc1C ZINC000016487927 556611937 /nfs/dbraw/zinc/61/19/37/556611937.db2.gz JENAZVRXTZBNNI-UHFFFAOYSA-N 0 0 448.610 4.155 50 0 IIAARN COc1cc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc(OC)c1 ZINC000038651741 556615370 /nfs/dbraw/zinc/61/53/70/556615370.db2.gz YUDWKEWIYLFHMH-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN CC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)NCCc3ccccc3)cs1)C(=O)CO2 ZINC000033669876 556620611 /nfs/dbraw/zinc/62/06/11/556620611.db2.gz UFECIZGZCAVPLL-UHFFFAOYSA-N 0 0 449.576 4.339 50 0 IIAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000016685364 556625504 /nfs/dbraw/zinc/62/55/04/556625504.db2.gz STTMXDGMZGVIBH-DEOSSOPVSA-N 0 0 438.531 4.332 50 0 IIAARN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000033744706 556629646 /nfs/dbraw/zinc/62/96/46/556629646.db2.gz AFYHHBJBAGRNKS-UHFFFAOYSA-N 0 0 440.584 4.215 50 0 IIAARN Cc1ccc(C2N=NC(=S)N2CC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 ZINC000061410047 556630497 /nfs/dbraw/zinc/63/04/97/556630497.db2.gz NVHOQMBICBEKIV-UHFFFAOYSA-N 0 0 443.370 4.110 50 0 IIAARN O=c1/c(=C/c2cccc(Br)c2)sc2nc(/C=C/c3ccc(Cl)cc3)nn12 ZINC000016734984 556633088 /nfs/dbraw/zinc/63/30/88/556633088.db2.gz WGSTUVGGPOTLHU-SAEKGINCSA-N 0 0 444.741 4.285 50 0 IIAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000040288493 556634667 /nfs/dbraw/zinc/63/46/67/556634667.db2.gz ZNLSSYXXRSTUGW-DNQXCXABSA-N 0 0 439.471 4.446 50 0 IIAARN Cc1cccc(NCC[NH2+][C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)[O-])c1 ZINC000016740605 556634664 /nfs/dbraw/zinc/63/46/64/556634664.db2.gz RICIALPUYUTZTR-HSZRJFAPSA-N 0 0 433.508 4.271 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000097938716 556634971 /nfs/dbraw/zinc/63/49/71/556634971.db2.gz RQRRHNKOYXFUSQ-HXUWFJFHSA-N 0 0 445.498 4.403 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000016741824 556635682 /nfs/dbraw/zinc/63/56/82/556635682.db2.gz GLPYIZRZPKSOCG-PYJQOMOHSA-N 0 0 442.339 4.362 50 0 IIAARN COCc1nn2c(nnc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040392149 556638118 /nfs/dbraw/zinc/63/81/18/556638118.db2.gz HUDWSVNUZJUTOY-UHFFFAOYSA-N 0 0 433.487 4.282 50 0 IIAARN COc1ccc(-c2csc(C3=C(N)N(C[C@H]4COc5ccccc5O4)CC3=O)n2)cc1 ZINC000409413211 556640389 /nfs/dbraw/zinc/64/03/89/556640389.db2.gz FCQXRNGTYGFKES-INIZCTEOSA-N 0 0 435.505 4.415 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 ZINC000409413844 556641141 /nfs/dbraw/zinc/64/11/41/556641141.db2.gz FIOWCHQAWRRAOQ-IRLDBZIGSA-N 0 0 447.539 4.015 50 0 IIAARN CCCCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000016805601 556643406 /nfs/dbraw/zinc/64/34/06/556643406.db2.gz WQSKVMNSKCOUAF-NRFANRHFSA-N 0 0 446.569 4.478 50 0 IIAARN COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037555986 556644825 /nfs/dbraw/zinc/64/48/25/556644825.db2.gz KOGHOTUJOMUHNA-UHFFFAOYSA-N 0 0 434.511 4.173 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1OC ZINC000016807812 556644830 /nfs/dbraw/zinc/64/48/30/556644830.db2.gz SETJFBZREKORSL-UHFFFAOYSA-N 0 0 425.466 4.172 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c1 ZINC000016890533 556648300 /nfs/dbraw/zinc/64/83/00/556648300.db2.gz YUYRGTHACYEPKM-OAQYLSRUSA-N 0 0 435.505 4.447 50 0 IIAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000016953750 556650022 /nfs/dbraw/zinc/65/00/22/556650022.db2.gz ZYPLWKABKAAHLQ-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccccc1 ZINC000011758022 556652025 /nfs/dbraw/zinc/65/20/25/556652025.db2.gz SHAYLABBYAXMQP-JOCHJYFZSA-N 0 0 449.532 4.058 50 0 IIAARN CCc1ccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)cc1 ZINC000032999270 556652704 /nfs/dbraw/zinc/65/27/04/556652704.db2.gz VUEOTZDLGDCBPZ-UHFFFAOYSA-N 0 0 446.526 4.212 50 0 IIAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000011758585 556653224 /nfs/dbraw/zinc/65/32/24/556653224.db2.gz IIEDWHSDAVCYRL-UHFFFAOYSA-N 0 0 444.442 4.269 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000017070136 556655173 /nfs/dbraw/zinc/65/51/73/556655173.db2.gz XZABCSFNRNNNLR-UHFFFAOYSA-N 0 0 432.368 4.151 50 0 IIAARN Cc1nn(C)c2ncc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)cc12 ZINC000032926196 556655198 /nfs/dbraw/zinc/65/51/98/556655198.db2.gz SDSVANASHYFLBG-UHFFFAOYSA-N 0 0 438.285 4.479 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2OC)s1 ZINC000033008466 556655879 /nfs/dbraw/zinc/65/58/79/556655879.db2.gz BBAVPGWKAZGDAK-UHFFFAOYSA-N 0 0 430.486 4.315 50 0 IIAARN CCOCCCNC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(OC)c1 ZINC000033008654 556656238 /nfs/dbraw/zinc/65/62/38/556656238.db2.gz RENIYMPDWYNMGJ-UHFFFAOYSA-N 0 0 428.514 4.105 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000032927732 556656628 /nfs/dbraw/zinc/65/66/28/556656628.db2.gz CJEGQZDRUGJKRW-INIZCTEOSA-N 0 0 433.549 4.314 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000248076055 556661061 /nfs/dbraw/zinc/66/10/61/556661061.db2.gz HLQAYICDVSFFDD-JXFKEZNVSA-N 0 0 430.595 4.217 50 0 IIAARN C[C@]1(Cc2cncnc2)C(=O)N(c2nc[nH]n2)c2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000043203633 556661213 /nfs/dbraw/zinc/66/12/13/556661213.db2.gz OABSWPUPIHULMQ-JOCHJYFZSA-N 0 0 434.862 4.233 50 0 in-vitro IIAARN CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cccnc1Cl ZINC000017097751 556662347 /nfs/dbraw/zinc/66/23/47/556662347.db2.gz DWXWVUFSZKFSDJ-UHFFFAOYSA-N 0 0 431.949 4.273 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000033013726 556663517 /nfs/dbraw/zinc/66/35/17/556663517.db2.gz RLYWXUONQJLNJV-INIZCTEOSA-N 0 0 446.507 4.095 50 0 IIAARN COc1ccccc1N1CCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[nH]2)CC1 ZINC000044167998 556666074 /nfs/dbraw/zinc/66/60/74/556666074.db2.gz BTZFKCNWNOKYRR-UHFFFAOYSA-N 0 0 432.549 4.295 50 0 IIAARN S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000017101988 556666268 /nfs/dbraw/zinc/66/62/68/556666268.db2.gz BJBVZDUTBIBHES-UHFFFAOYSA-N 0 0 438.380 4.279 50 0 IIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248130876 556668290 /nfs/dbraw/zinc/66/82/90/556668290.db2.gz QHOPQLKMXPJACK-LPHOPBHVSA-N 0 0 437.565 4.424 50 0 IIAARN CC[C@H](CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1ccccc1 ZINC000010618927 556668881 /nfs/dbraw/zinc/66/88/81/556668881.db2.gz ZIECIJBXXBXVMD-MRXNPFEDSA-N 0 0 444.988 4.450 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000100799383 556675415 /nfs/dbraw/zinc/67/54/15/556675415.db2.gz DDTYIZYWMBBEOU-SMIHKQSGSA-N 0 0 428.488 4.363 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 ZINC000100811991 556676198 /nfs/dbraw/zinc/67/61/98/556676198.db2.gz CJHOSKWNIMEHJF-GHVJWSGMSA-N 0 0 445.610 4.100 50 0 IIAARN CC[C@@H](C)NC(=O)c1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1N1CCCC[C@H]1C ZINC000248263575 556677775 /nfs/dbraw/zinc/67/77/75/556677775.db2.gz XBJNQUOJPYBELK-HZPDHXFCSA-N 0 0 442.560 4.077 50 0 IIAARN CC(C)Oc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325462 556679645 /nfs/dbraw/zinc/67/96/45/556679645.db2.gz QYRVWCRAUBCLGG-INIZCTEOSA-N 0 0 445.566 4.011 50 0 IIAARN CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000012007135 556680597 /nfs/dbraw/zinc/68/05/97/556680597.db2.gz ROPORACGGRXHFO-UHFFFAOYSA-N 0 0 447.539 4.323 50 0 IIAARN O=C(c1ccc(OCCn2ccnc2)cc1)N1CC[C@H](c2ccc(Br)cc2)C1 ZINC000045302573 556686113 /nfs/dbraw/zinc/68/61/13/556686113.db2.gz SMIYPCMZKQYCMK-IBGZPJMESA-N 0 0 440.341 4.354 50 0 IIAARN C[C@H](OC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C(=O)N1CCOCC1 ZINC000010635805 556686362 /nfs/dbraw/zinc/68/63/62/556686362.db2.gz WNEJSUPXMMREDT-HNNXBMFYSA-N 0 0 443.496 4.024 50 0 IIAARN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1 ZINC000253392552 556696907 /nfs/dbraw/zinc/69/69/07/556696907.db2.gz CXJWDMNRRKQPRN-UHFFFAOYSA-N 0 0 426.275 4.180 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829254 556700277 /nfs/dbraw/zinc/70/02/77/556700277.db2.gz HQVKEKDDSDQXMV-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN O=C(NCCCn1c2ncccc2nc1C(F)(F)F)Nc1ccc(Br)cc1 ZINC000033025598 556701190 /nfs/dbraw/zinc/70/11/90/556701190.db2.gz KPSLRCMZPYMIKG-UHFFFAOYSA-N 0 0 442.239 4.424 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccc(F)c2)n3C)c1 ZINC000033025880 556701976 /nfs/dbraw/zinc/70/19/76/556701976.db2.gz XKZMSBLRZCYQRR-UHFFFAOYSA-N 0 0 430.483 4.246 50 0 IIAARN COc1cccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)c1 ZINC000001220263 556707867 /nfs/dbraw/zinc/70/78/67/556707867.db2.gz JOWPDPOORRVBNV-CCEZHUSRSA-N 0 0 447.335 4.186 50 0 IIAARN O=C(c1ccccc1)[C@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000019225559 556716736 /nfs/dbraw/zinc/71/67/36/556716736.db2.gz PPMGJXYHVKSBQZ-IBGZPJMESA-N 0 0 436.581 4.117 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)cc1 ZINC000072325025 556722743 /nfs/dbraw/zinc/72/27/43/556722743.db2.gz DWLUAXKUGSEILV-XUZZJYLKSA-N 0 0 448.563 4.043 50 0 biogenic IIAARN Cc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Br)c3)CC2)cc1 ZINC000072328703 556726491 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50 0 IIAARN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O ZINC000004675791 556872434 /nfs/dbraw/zinc/87/24/34/556872434.db2.gz VCPZCEKBNXVDCX-MOSHPQCFSA-N 0 0 425.554 4.489 50 0 IIAARN CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C1=O ZINC000004676449 556872887 /nfs/dbraw/zinc/87/28/87/556872887.db2.gz YXBWJZOLDGSZJL-JAIQZWGSSA-N 0 0 425.554 4.392 50 0 IIAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 ZINC000015953581 556880388 /nfs/dbraw/zinc/88/03/88/556880388.db2.gz ISANWGVGUDGPST-JHMXWDHMSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c1 ZINC000033168718 556880866 /nfs/dbraw/zinc/88/08/66/556880866.db2.gz MDZUUQJMQCLTIA-HXUWFJFHSA-N 0 0 448.592 4.478 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1 ZINC000033171375 556882389 /nfs/dbraw/zinc/88/23/89/556882389.db2.gz MNRLUOOFYLMSQH-UHFFFAOYSA-N 0 0 430.533 4.252 50 0 IIAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)NCc1ccccc1Br ZINC000033172442 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IIAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249412 556889189 /nfs/dbraw/zinc/88/91/89/556889189.db2.gz CFBVDVAYVNXRED-UHFFFAOYSA-N 0 0 426.513 4.395 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000033254476 556890608 /nfs/dbraw/zinc/89/06/08/556890608.db2.gz SXOUKDVGKFOSSH-UHFFFAOYSA-N 0 0 430.508 4.413 50 0 IIAARN Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)c2cc1C ZINC000033251214 556892091 /nfs/dbraw/zinc/89/20/91/556892091.db2.gz BJCVNHBGUPOQHL-MRXNPFEDSA-N 0 0 431.458 4.170 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000033251961 556892271 /nfs/dbraw/zinc/89/22/71/556892271.db2.gz QWRMWMLVECFXLQ-SFHVURJKSA-N 0 0 427.353 4.484 50 0 IIAARN COC(=O)c1cccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1 ZINC000033251667 556892313 /nfs/dbraw/zinc/89/23/13/556892313.db2.gz SMVDTEKBGHCRKD-UHFFFAOYSA-N 0 0 432.299 4.249 50 0 IIAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000033252019 556892460 /nfs/dbraw/zinc/89/24/60/556892460.db2.gz VVVALVCZCIUFJR-NRFANRHFSA-N 0 0 432.973 4.401 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C)n3)cc2)CC1 ZINC000033258152 556895639 /nfs/dbraw/zinc/89/56/39/556895639.db2.gz IIDMWVFLBFUIPC-UHFFFAOYSA-N 0 0 427.892 4.061 50 0 IIAARN O=C(c1ccc2nnc(-c3ccc(Cl)cc3)n2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033261887 556899826 /nfs/dbraw/zinc/89/98/26/556899826.db2.gz ZXHJQCIQBVBJMJ-UHFFFAOYSA-N 0 0 435.890 4.151 50 0 IIAARN CN1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000019758863 556902564 /nfs/dbraw/zinc/90/25/64/556902564.db2.gz AQZNAVRAHBLKFA-UHFFFAOYSA-N 0 0 447.585 4.410 50 0 IIAARN Cc1ncoc1C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000019794871 556915858 /nfs/dbraw/zinc/91/58/58/556915858.db2.gz JWALNXBCAWDVCY-UHFFFAOYSA-N 0 0 429.480 4.017 50 0 IIAARN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859937 556932419 /nfs/dbraw/zinc/93/24/19/556932419.db2.gz BQRJJKMQUCYAIT-OAHLLOKOSA-N 0 0 439.002 4.242 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000019863553 556934310 /nfs/dbraw/zinc/93/43/10/556934310.db2.gz RYXZYEKIBMIUEO-UHFFFAOYSA-N 0 0 436.577 4.100 50 0 IIAARN Cc1ccc(S(=O)(=O)C[C@@H](CN(C)Cc2ccccc2)N(C)Cc2ccccc2)cc1 ZINC000019899403 556941750 /nfs/dbraw/zinc/94/17/50/556941750.db2.gz GKNXRGFDBJYJJM-RUZDIDTESA-N 0 0 436.621 4.401 50 0 IIAARN COc1ccc(-c2cc(=O)c3cc(Br)cc(Br)c(=O)c3o2)cc1 ZINC000019909812 556943082 /nfs/dbraw/zinc/94/30/82/556943082.db2.gz DPSZIUDCAXPGTR-UHFFFAOYSA-N 0 0 438.071 4.354 50 0 IIAARN CCOc1ccc2nc(N3C(=O)CS[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000019927514 556945396 /nfs/dbraw/zinc/94/53/96/556945396.db2.gz ZUXGOQIUAGHPGD-HXUWFJFHSA-N 0 0 446.550 4.499 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000019952452 556954584 /nfs/dbraw/zinc/95/45/84/556954584.db2.gz CNDSLTVKPXKMRN-IBGZPJMESA-N 0 0 440.521 4.367 50 0 IIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)n2)c1 ZINC000020016676 556962491 /nfs/dbraw/zinc/96/24/91/556962491.db2.gz HWNAZKWFQUIDIZ-OAHLLOKOSA-N 0 0 441.578 4.390 50 0 IIAARN Cc1ccc(CN2CCN(C(=O)c3cc(Br)ccc3OC(F)F)CC2)cc1 ZINC000020028654 556967561 /nfs/dbraw/zinc/96/75/61/556967561.db2.gz OJFIDUPALZFCTE-UHFFFAOYSA-N 0 0 439.300 4.317 50 0 IIAARN CC(C)Cc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1CCCC2 ZINC000020057746 556975369 /nfs/dbraw/zinc/97/53/69/556975369.db2.gz ZBTXGWOVKGWTRT-UHFFFAOYSA-N 0 0 425.602 4.061 50 0 IIAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)c1 ZINC000020095341 556979138 /nfs/dbraw/zinc/97/91/38/556979138.db2.gz YOCGOQLHMATICB-UHFFFAOYSA-N 0 0 447.535 4.062 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1 ZINC000020095577 556979455 /nfs/dbraw/zinc/97/94/55/556979455.db2.gz MLMDKHFOUJUOCB-QGZVFWFLSA-N 0 0 447.535 4.314 50 0 IIAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000020100645 556979930 /nfs/dbraw/zinc/97/99/30/556979930.db2.gz PRIJQFGZZOGYHW-UHFFFAOYSA-N 0 0 440.487 4.194 50 0 IIAARN O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21 ZINC000020102046 556980422 /nfs/dbraw/zinc/98/04/22/556980422.db2.gz YTXOZCNCERMWIA-INIZCTEOSA-N 0 0 438.453 4.133 50 0 IIAARN O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21 ZINC000020102056 556980508 /nfs/dbraw/zinc/98/05/08/556980508.db2.gz IHEQEPOELUNFKZ-MRXNPFEDSA-N 0 0 438.453 4.133 50 0 IIAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc21 ZINC000020103441 556981097 /nfs/dbraw/zinc/98/10/97/556981097.db2.gz JFCDRMZCXROGLE-SFHVURJKSA-N 0 0 447.322 4.296 50 0 IIAARN COC(=O)c1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097096813 556984250 /nfs/dbraw/zinc/98/42/50/556984250.db2.gz KGGIIHVNBPSRNB-SFHVURJKSA-N 0 0 436.855 4.312 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097096316 556984305 /nfs/dbraw/zinc/98/43/05/556984305.db2.gz USCDABRXSTXWLY-OAHLLOKOSA-N 0 0 442.928 4.289 50 0 IIAARN CCOc1cc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)ccc1OC ZINC000097096629 556984376 /nfs/dbraw/zinc/98/43/76/556984376.db2.gz XPCCSVDZJHCBGP-FQEVSTJZSA-N 0 0 436.443 4.418 50 0 IIAARN COc1ccccc1CNC(=O)CSc1cc(C)nc2c(-c3ccc(F)cc3)cnn21 ZINC000033268968 556986539 /nfs/dbraw/zinc/98/65/39/556986539.db2.gz CVHDXSULVMUILU-UHFFFAOYSA-N 0 0 436.512 4.261 50 0 IIAARN O=C(/C=C/c1ccccc1)N[C@H](N1CCN(c2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000020134544 556988245 /nfs/dbraw/zinc/98/82/45/556988245.db2.gz UOVWGOSOQYUUGU-YVNCXZRQSA-N 0 0 438.786 4.335 50 0 IIAARN C[C@@H](c1nnc(S[C@H](Cc2ccccc2)C(N)=O)n1-c1ccccc1)N1CCCCC1 ZINC000097114201 556989727 /nfs/dbraw/zinc/98/97/27/556989727.db2.gz FFYFFEXJCFQMGO-GHTZIAJQSA-N 0 0 435.597 4.003 50 0 IIAARN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000097147405 556992259 /nfs/dbraw/zinc/99/22/59/556992259.db2.gz KAKBMJSENVDCKJ-AWEZNQCLSA-N 0 0 441.601 4.244 50 0 IIAARN O=C(COC(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000023080722 556998162 /nfs/dbraw/zinc/99/81/62/556998162.db2.gz ROFRMABRXQEBEO-CCEZHUSRSA-N 0 0 439.464 4.278 50 0 IIAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4c[nH]c5ccccc45)C3=O)CC2)cc1 ZINC000020265940 557004413 /nfs/dbraw/zinc/00/44/13/557004413.db2.gz OKDOFIBUHWTRGC-HYARGMPZSA-N 0 0 432.549 4.292 50 0 IIAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000020311100 557007320 /nfs/dbraw/zinc/00/73/20/557007320.db2.gz VUDICKCZMFFKRL-CPNJWEJPSA-N 0 0 431.920 4.295 50 0 IIAARN O=S(=O)(c1cccs1)N1CCC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000023125784 557007435 /nfs/dbraw/zinc/00/74/35/557007435.db2.gz HHKAPTNJMPGRDL-CYBMUJFWSA-N 0 0 443.472 4.385 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2C(=O)OCc2ccccn2)cc1Cl ZINC000011253922 557009759 /nfs/dbraw/zinc/00/97/59/557009759.db2.gz JXHPPGNAANNIKG-UHFFFAOYSA-N 0 0 426.856 4.118 50 0 IIAARN CC[C@@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1=O ZINC000023126734 557011388 /nfs/dbraw/zinc/01/13/88/557011388.db2.gz IEUSJKYFTCKONT-CYBMUJFWSA-N 0 0 444.413 4.251 50 0 IIAARN CCOc1ccc2oc(=O)cc(COc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)c2c1 ZINC000045995723 557015467 /nfs/dbraw/zinc/01/54/67/557015467.db2.gz PHXHVVQRDNLQOP-UHFFFAOYSA-N 0 0 433.386 4.380 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000045991727 557017401 /nfs/dbraw/zinc/01/74/01/557017401.db2.gz BLCGQQDLTRFVHB-SFHVURJKSA-N 0 0 430.508 4.130 50 0 IIAARN Cc1cccc2c(=O)n(CC(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)cnc12 ZINC000010698123 557019178 /nfs/dbraw/zinc/01/91/78/557019178.db2.gz ZIKSQRRGLRYGKS-JOCHJYFZSA-N 0 0 436.515 4.135 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)NCCc3ccc(Cl)cc3)cc(C)c12 ZINC000046016915 557019868 /nfs/dbraw/zinc/01/98/68/557019868.db2.gz BUGKYVJGSCQOGX-UHFFFAOYSA-N 0 0 434.927 4.428 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 ZINC000046017050 557020176 /nfs/dbraw/zinc/02/01/76/557020176.db2.gz FLELYLJLWXVOTK-IBGZPJMESA-N 0 0 435.549 4.254 50 0 IIAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc21 ZINC000032943830 557021799 /nfs/dbraw/zinc/02/17/99/557021799.db2.gz YLEWRCMFFHARKC-UHFFFAOYSA-N 0 0 445.610 4.182 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1C ZINC000046027359 557023166 /nfs/dbraw/zinc/02/31/66/557023166.db2.gz AAPOKERRJAEWSJ-UHFFFAOYSA-N 0 0 437.565 4.052 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)c1 ZINC000023144008 557025905 /nfs/dbraw/zinc/02/59/05/557025905.db2.gz GCACGWMOKVTNRA-UHFFFAOYSA-N 0 0 437.496 4.251 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000072068677 557026587 /nfs/dbraw/zinc/02/65/87/557026587.db2.gz MTFHHBQRMCBANT-UHFFFAOYSA-N 0 0 442.756 4.102 50 0 IIAARN Cc1ccc([C@@H]2CC(c3cccc4nccnc43)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000060208319 557028547 /nfs/dbraw/zinc/02/85/47/557028547.db2.gz CZEZKNDGIQTIHT-QHCPKHFHSA-N 0 0 428.517 4.478 50 0 IIAARN COCCCn1c(S[C@H](C)c2ccc(F)cc2)nc2cc(C(=O)OC)ccc2c1=O ZINC000032945453 557028754 /nfs/dbraw/zinc/02/87/54/557028754.db2.gz JVFZCHBPOHDIBV-CQSZACIVSA-N 0 0 430.501 4.212 50 0 IIAARN Cc1nn(-c2cccc(F)c2)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057708 557029230 /nfs/dbraw/zinc/02/92/30/557029230.db2.gz USJLTJIETPPSJN-INIZCTEOSA-N 0 0 428.261 4.391 50 0 IIAARN CCOC(=O)c1ccoc1CSc1nnc(N2CCCCC2)n1-c1ccccc1OC ZINC000010820971 557029377 /nfs/dbraw/zinc/02/93/77/557029377.db2.gz SDEMOZYGOJHVGQ-UHFFFAOYSA-N 0 0 442.541 4.328 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCC(C)C)cc3c2)cc1 ZINC000046058923 557029806 /nfs/dbraw/zinc/02/98/06/557029806.db2.gz LCDWXPWYRVAWBU-UHFFFAOYSA-N 0 0 432.567 4.121 50 0 IIAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000011279490 557034116 /nfs/dbraw/zinc/03/41/16/557034116.db2.gz GZJZDUGMDVKSHY-SIKLNZKXSA-N 0 0 448.350 4.274 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 ZINC000046122673 557036194 /nfs/dbraw/zinc/03/61/94/557036194.db2.gz LYIOAUSEPQNDQX-AWEZNQCLSA-N 0 0 428.464 4.088 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000046123028 557036474 /nfs/dbraw/zinc/03/64/74/557036474.db2.gz KJXZCUMHMLQQQP-QGZVFWFLSA-N 0 0 436.537 4.127 50 0 IIAARN Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000023175315 557036690 /nfs/dbraw/zinc/03/66/90/557036690.db2.gz MWPOPAYVOUPDHY-VWLOTQADSA-N 0 0 429.476 4.193 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123471 557037160 /nfs/dbraw/zinc/03/71/60/557037160.db2.gz SIIYAKFNDLGAJI-ZDUSSCGKSA-N 0 0 446.985 4.454 50 0 IIAARN O=C(NCc1cccnc1-n1cccn1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000048235975 557047283 /nfs/dbraw/zinc/04/72/83/557047283.db2.gz UIXAAKKRUUVMMZ-UHFFFAOYSA-N 0 0 430.434 4.208 50 0 IIAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4ccc(F)cc4)n3)n[nH]2)c1 ZINC000033270819 557047847 /nfs/dbraw/zinc/04/78/47/557047847.db2.gz BVZQCHZQGUMSSC-UHFFFAOYSA-N 0 0 438.488 4.166 50 0 IIAARN CN(c1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1F)C1CCCCC1 ZINC000048237351 557047916 /nfs/dbraw/zinc/04/79/16/557047916.db2.gz PRMPQHRVDOOUGH-UHFFFAOYSA-N 0 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ZINC000049548608 557112596 /nfs/dbraw/zinc/11/25/96/557112596.db2.gz ATPFHSSHVDIRBA-IBGZPJMESA-N 0 0 442.585 4.018 50 0 IIAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccc(C(C)C)cc1 ZINC000049549205 557112674 /nfs/dbraw/zinc/11/26/74/557112674.db2.gz QNMCOXLTWPNZDY-IBGZPJMESA-N 0 0 436.533 4.407 50 0 IIAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCCc2ccccc21 ZINC000011363797 557113714 /nfs/dbraw/zinc/11/37/14/557113714.db2.gz BQXBPKBAFTVTBH-MJGOQNOKSA-N 0 0 449.576 4.036 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000011363860 557113718 /nfs/dbraw/zinc/11/37/18/557113718.db2.gz BWKDTZMPXATQCA-YOEHRIQHSA-N 0 0 443.956 4.348 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023761922 557114855 /nfs/dbraw/zinc/11/48/55/557114855.db2.gz SHTXSKAYMMCPNS-UHFFFAOYSA-N 0 0 427.932 4.314 50 0 IIAARN C[C@H](NC(=O)Cn1c2ccccc2nc1SC(F)F)c1ccc(-n2ccnc2)cc1 ZINC000023785708 557116059 /nfs/dbraw/zinc/11/60/59/557116059.db2.gz 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COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023882447 557123145 /nfs/dbraw/zinc/12/31/45/557123145.db2.gz IRFSVXCQFJIXSM-RUZDIDTESA-N 0 0 447.560 4.229 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000000647226 557124351 /nfs/dbraw/zinc/12/43/51/557124351.db2.gz KVKUHORDIPPNRA-RBUKOAKNSA-N 0 0 446.477 4.166 50 0 IIAARN O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000645210 557124586 /nfs/dbraw/zinc/12/45/86/557124586.db2.gz FWOHRHMLFNIGMM-UHFFFAOYSA-N 0 0 447.965 4.462 50 0 IIAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(Cc2cccs2)CC1 ZINC000023908582 557125034 /nfs/dbraw/zinc/12/50/34/557125034.db2.gz VIIGYZFKXPRCAQ-HSZRJFAPSA-N 0 0 432.545 4.160 50 0 IIAARN O=C(c1ccc(COc2ccccc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023956388 557127513 /nfs/dbraw/zinc/12/75/13/557127513.db2.gz GXIJFGPFAHWDHU-UHFFFAOYSA-N 0 0 433.533 4.426 50 0 IIAARN CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000002101947 557127652 /nfs/dbraw/zinc/12/76/52/557127652.db2.gz OJZZYARVTZJEFS-KNXBSLHKSA-N 0 0 430.526 4.086 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4)cc3n2)s1 ZINC000000655534 557129495 /nfs/dbraw/zinc/12/94/95/557129495.db2.gz SWCJQYAGFVHQTK-UHFFFAOYSA-N 0 0 448.474 4.045 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cc(C)ccc2C)cc1 ZINC000000655959 557129569 /nfs/dbraw/zinc/12/95/69/557129569.db2.gz FJVITXOKHZOWPF-TUNNFDKTSA-N 0 0 426.582 4.112 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000006833825 557132599 /nfs/dbraw/zinc/13/25/99/557132599.db2.gz PQRZORMFRQAWOF-QFIPXVFZSA-N 0 0 426.488 4.425 50 0 IIAARN O=C(COC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2)NCc1cccs1 ZINC000010932771 557136786 /nfs/dbraw/zinc/13/67/86/557136786.db2.gz RMPXGQNWYSJLPX-UHFFFAOYSA-N 0 0 446.594 4.290 50 0 IIAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 ZINC000011416843 557143151 /nfs/dbraw/zinc/14/31/51/557143151.db2.gz 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Cc1[nH]c2c(c1CCNC(=O)Cn1nc(C)c3ccccc3c1=O)c(Cl)ccc2Cl ZINC000000719186 557149252 /nfs/dbraw/zinc/14/92/52/557149252.db2.gz QJJFXQYNKSAPLJ-UHFFFAOYSA-N 0 0 443.334 4.160 50 0 IIAARN COc1ccc(CNc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)cc1 ZINC000014729535 557150431 /nfs/dbraw/zinc/15/04/31/557150431.db2.gz CWQNSJRHNZMRHH-UHFFFAOYSA-N 0 0 440.554 4.329 50 0 IIAARN COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000016156245 557153764 /nfs/dbraw/zinc/15/37/64/557153764.db2.gz PJBWTGXWJLUCFH-UHFFFAOYSA-N 0 0 447.487 4.419 50 0 IIAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000024608924 557154251 /nfs/dbraw/zinc/15/42/51/557154251.db2.gz ZOKIWQWGBVAUIZ-UHFFFAOYSA-N 0 0 440.487 4.194 50 0 IIAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000011515267 557156795 /nfs/dbraw/zinc/15/67/95/557156795.db2.gz WOFOEAMNHMQRJF-UHFFFAOYSA-N 0 0 427.451 4.044 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)cc1C ZINC000095249765 557156832 /nfs/dbraw/zinc/15/68/32/557156832.db2.gz GTXKKADMKMCGMQ-YROCYRMSSA-N 0 0 431.488 4.045 50 0 IIAARN COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957562 557158872 /nfs/dbraw/zinc/15/88/72/557158872.db2.gz ANGZXRXOAHCFFY-JXFKEZNVSA-N 0 0 431.439 4.466 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526859 557159030 /nfs/dbraw/zinc/15/90/30/557159030.db2.gz KOGYGBLLZVEEFG-UHFFFAOYSA-N 0 0 428.448 4.156 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCCn1cnc2ccccc2c1=O ZINC000024696422 557159051 /nfs/dbraw/zinc/15/90/51/557159051.db2.gz GQXZCFKINFYUDI-UHFFFAOYSA-N 0 0 447.560 4.476 50 0 IIAARN COC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)s1 ZINC000024771764 557165932 /nfs/dbraw/zinc/16/59/32/557165932.db2.gz WVPZPVMXNIOTST-RDTXWAMCSA-N 0 0 441.534 4.033 50 0 IIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1occc1COc1ccccc1 ZINC000024820994 557169063 /nfs/dbraw/zinc/16/90/63/557169063.db2.gz XOQKSSXYIGZOSA-UHFFFAOYSA-N 0 0 443.297 4.332 50 0 IIAARN CCOC(=O)c1c(NC(=O)C(C)(C)OC(C)=O)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023305345 557169670 /nfs/dbraw/zinc/16/96/70/557169670.db2.gz DRARBWSRDPDTNE-MRXNPFEDSA-N 0 0 429.538 4.478 50 0 IIAARN CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000024832218 557170869 /nfs/dbraw/zinc/17/08/69/557170869.db2.gz IDQTWIHIRXCFEN-UHFFFAOYSA-N 0 0 446.590 4.326 50 0 IIAARN CCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000008740421 557170946 /nfs/dbraw/zinc/17/09/46/557170946.db2.gz OJZZYARVTZJEFS-USCONSEESA-N 0 0 430.526 4.086 50 0 biogenic IIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000000779406 557174408 /nfs/dbraw/zinc/17/44/08/557174408.db2.gz AEIKBJAXSPHQDF-UHFFFAOYSA-N 0 0 445.544 4.379 50 0 IIAARN CC(=O)n1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c(-c2ccccc2)n1 ZINC000000779739 557174621 /nfs/dbraw/zinc/17/46/21/557174621.db2.gz WOKQBTIRPAFUPA-WQRHYEAKSA-N 0 0 436.265 4.317 50 0 IIAARN O=C(CCSc1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000097985848 557182393 /nfs/dbraw/zinc/18/23/93/557182393.db2.gz MAJKZKIPSCGBOE-NBVRZTHBSA-N 0 0 430.526 4.161 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000009147017 557182501 /nfs/dbraw/zinc/18/25/01/557182501.db2.gz GFPVTSSLHRFRJF-UHFFFAOYSA-N 0 0 427.533 4.006 50 0 IIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000011556024 557183560 /nfs/dbraw/zinc/18/35/60/557183560.db2.gz KQGCLDKLPYTIBB-UHFFFAOYSA-N 0 0 448.748 4.334 50 0 IIAARN COc1cc(/C=C2/N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)ccc1OC(C)C ZINC000097987603 557183890 /nfs/dbraw/zinc/18/38/90/557183890.db2.gz AOJCVOPCLJBSKB-OQLLNIDSSA-N 0 0 433.407 4.437 50 0 IIAARN C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)c1nc(N)nc(N(C)C)n1 ZINC000024984181 557185846 /nfs/dbraw/zinc/18/58/46/557185846.db2.gz WESVCAUAYCTCHW-SNVBAGLBSA-N 0 0 427.534 4.184 50 0 IIAARN Cc1ccc(-c2noc(COC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000024984852 557186138 /nfs/dbraw/zinc/18/61/38/557186138.db2.gz SHLUBYDBOJIRAT-IMBGCFGXSA-N 0 0 449.551 4.296 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 ZINC000009328108 557186996 /nfs/dbraw/zinc/18/69/96/557186996.db2.gz JLGAFNMPWIUZAT-UHFFFAOYSA-N 0 0 434.315 4.162 50 0 IIAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2CC)cc1 ZINC000100821242 557187813 /nfs/dbraw/zinc/18/78/13/557187813.db2.gz BFQLLGVEEVMVGQ-GHVJWSGMSA-N 0 0 445.610 4.275 50 0 IIAARN CCOc1c(Br)cc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1OC ZINC000097998199 557187847 /nfs/dbraw/zinc/18/78/47/557187847.db2.gz XTFXYLXFOTXIKK-VIZOYTHASA-N 0 0 438.224 4.479 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc4c(cccc4C)s3)n2C)cc1 ZINC000009593980 557190638 /nfs/dbraw/zinc/19/06/38/557190638.db2.gz OILRZQOOEAICJA-UHFFFAOYSA-N 0 0 439.566 4.063 50 0 IIAARN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009699273 557191470 /nfs/dbraw/zinc/19/14/70/557191470.db2.gz JRGMQFXVJRQABV-UHFFFAOYSA-N 0 0 438.553 4.427 50 0 IIAARN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(OC(F)F)cc1 ZINC000072232409 557194499 /nfs/dbraw/zinc/19/44/99/557194499.db2.gz UPAHCDUGZDZFLM-SNVBAGLBSA-N 0 0 438.265 4.370 50 0 IIAARN COc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1OC ZINC000025105714 557195551 /nfs/dbraw/zinc/19/55/51/557195551.db2.gz UFXUNISVZUATSN-UHFFFAOYSA-N 0 0 444.867 4.478 50 0 IIAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000096316578 557198410 /nfs/dbraw/zinc/19/84/10/557198410.db2.gz YYIFCDNEVNABDV-DEOSSOPVSA-N 0 0 435.568 4.100 50 0 IIAARN COC(=O)C1(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CCCCC1 ZINC000025173604 557198699 /nfs/dbraw/zinc/19/86/99/557198699.db2.gz BBFMGEYMNUPLSX-UHFFFAOYSA-N 0 0 437.359 4.107 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000000791729 557198952 /nfs/dbraw/zinc/19/89/52/557198952.db2.gz KPOSPAWREPGRDJ-HSZRJFAPSA-N 0 0 448.588 4.302 50 0 IIAARN Cc1ccc(C(=O)O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000025179915 557199140 /nfs/dbraw/zinc/19/91/40/557199140.db2.gz YCZJYPNLWXPJBW-ZWKOTPCHSA-N 0 0 434.492 4.306 50 0 IIAARN Cc1ccc(C)c(Cc2c(C)nc(CN(Cc3ccco3)C(=O)NC(C)(C)C)[nH]c2=O)c1 ZINC000096317886 557199239 /nfs/dbraw/zinc/19/92/39/557199239.db2.gz RLWBONLDWMMADN-UHFFFAOYSA-N 0 0 436.556 4.389 50 0 IIAARN NC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000025333391 557204919 /nfs/dbraw/zinc/20/49/19/557204919.db2.gz GBXRUSOPSSWGEM-UHFFFAOYSA-N 0 0 444.922 4.281 50 0 IIAARN Cc1nc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nn1-c1ccc(Cl)cc1 ZINC000013987123 557205791 /nfs/dbraw/zinc/20/57/91/557205791.db2.gz MDFUEMRGPXVDRG-UHFFFAOYSA-N 0 0 447.930 4.466 50 0 IIAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC000023308584 557208099 /nfs/dbraw/zinc/20/80/99/557208099.db2.gz ILGBWWHVYPOXCH-UHFFFAOYSA-N 0 0 445.566 4.053 50 0 IIAARN Cc1oc(-c2cccs2)nc1CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000011610290 557208374 /nfs/dbraw/zinc/20/83/74/557208374.db2.gz JQZZZFAKEBINIG-LJQANCHMSA-N 0 0 446.326 4.441 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3F)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169677583 557209518 /nfs/dbraw/zinc/20/95/18/557209518.db2.gz WBEWZZXQVATYDD-BKMJKUGQSA-N 0 0 445.538 4.018 50 0 IIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1C(=O)c1ccccc1)CC3 ZINC000025454694 557210444 /nfs/dbraw/zinc/21/04/44/557210444.db2.gz DYHXOLXBBGQZQM-UHFFFAOYSA-N 0 0 438.483 4.384 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1ccccc1C(C)C ZINC000011621597 557214741 /nfs/dbraw/zinc/21/47/41/557214741.db2.gz UCVBPHIYBACWRQ-UHFFFAOYSA-N 0 0 445.585 4.044 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)CCCCCC2 ZINC000000800733 557217425 /nfs/dbraw/zinc/21/74/25/557217425.db2.gz IRLFXJDJJAICQT-UHFFFAOYSA-N 0 0 432.933 4.250 50 0 IIAARN CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1c(F)cccc1Cl ZINC000018019069 557218995 /nfs/dbraw/zinc/21/89/95/557218995.db2.gz HYHSSODMJZVAQY-SFHVURJKSA-N 0 0 429.879 4.357 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(CCC3CCCC3)[nH]2)c1 ZINC000025608782 557219116 /nfs/dbraw/zinc/21/91/16/557219116.db2.gz MSMLWUOCCPIIPX-LJQANCHMSA-N 0 0 444.601 4.401 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)on1 ZINC000010996220 557221012 /nfs/dbraw/zinc/22/10/12/557221012.db2.gz XKVCSQNWUKGHII-GFCCVEGCSA-N 0 0 433.921 4.261 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000032949245 557221553 /nfs/dbraw/zinc/22/15/53/557221553.db2.gz XZRWSQWALPUXDV-FQEVSTJZSA-N 0 0 449.503 4.025 50 0 biogenic IIAARN COc1cn(-c2ccccc2)nc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000025725368 557223632 /nfs/dbraw/zinc/22/36/32/557223632.db2.gz FTRMQUIERDGFRO-KRWDZBQOSA-N 0 0 434.521 4.316 50 0 IIAARN Fc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCOCC2)cc1 ZINC000025784289 557226475 /nfs/dbraw/zinc/22/64/75/557226475.db2.gz FZXSHGUXTRKGGD-QHCPKHFHSA-N 0 0 429.499 4.316 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C2CC2)c1 ZINC000025807224 557227169 /nfs/dbraw/zinc/22/71/69/557227169.db2.gz ODFHKVFYHJIVMJ-UHFFFAOYSA-N 0 0 428.916 4.289 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)CSc2cc(C)c(Br)cc2C)n1 ZINC000011172161 557227417 /nfs/dbraw/zinc/22/74/17/557227417.db2.gz USXAOVXGUVOHMX-UHFFFAOYSA-N 0 0 443.388 4.359 50 0 IIAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000014762726 557231898 /nfs/dbraw/zinc/23/18/98/557231898.db2.gz SYFHQHRCHMJONS-WAVALFDVSA-N 0 0 435.568 4.445 50 0 IIAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000011693309 557232116 /nfs/dbraw/zinc/23/21/16/557232116.db2.gz GKLGGWCYGAIZPM-UHFFFAOYSA-N 0 0 447.413 4.236 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1OC ZINC000098072988 557233325 /nfs/dbraw/zinc/23/33/25/557233325.db2.gz IWHWYMOYESUIEC-UHFFFAOYSA-N 0 0 440.237 4.286 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000026089746 557234008 /nfs/dbraw/zinc/23/40/08/557234008.db2.gz ZSYZCKWVZKWZPU-UHFFFAOYSA-N 0 0 429.473 4.456 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018062808 557234655 /nfs/dbraw/zinc/23/46/55/557234655.db2.gz ADWLDFXLYJEDMV-SMIHKQSGSA-N 0 0 444.487 4.063 50 0 IIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000098212276 557235454 /nfs/dbraw/zinc/23/54/54/557235454.db2.gz ZVFKYTSALARBBD-IBGZPJMESA-N 0 0 437.496 4.059 50 0 IIAARN CC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000098212879 557235999 /nfs/dbraw/zinc/23/59/99/557235999.db2.gz FKFGNXSDHKORET-UHFFFAOYSA-N 0 0 437.931 4.087 50 0 IIAARN CCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000098212887 557236111 /nfs/dbraw/zinc/23/61/11/557236111.db2.gz FMWNRZDJLIMJGM-UHFFFAOYSA-N 0 0 438.959 4.457 50 0 IIAARN O=C(NCCSCc1ccc(Br)s1)c1ccc(N2CCCC2=O)cc1 ZINC000018108763 557237189 /nfs/dbraw/zinc/23/71/89/557237189.db2.gz FHUDWMIVIYBAAC-UHFFFAOYSA-N 0 0 439.400 4.301 50 0 IIAARN CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018114548 557237611 /nfs/dbraw/zinc/23/76/11/557237611.db2.gz OJTVJQQTIRDHQH-QRVBRYPASA-N 0 0 429.314 4.174 50 0 IIAARN O=C(COc1cccc(NC(=O)c2ccc(Sc3ccccn3)cc2)c1)N1CCCC1 ZINC000069950638 557237723 /nfs/dbraw/zinc/23/77/23/557237723.db2.gz GVNGZJIWZHWYMC-UHFFFAOYSA-N 0 0 433.533 4.486 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000018113476 557237846 /nfs/dbraw/zinc/23/78/46/557237846.db2.gz BSHNXEWKJQWCMI-SMIHKQSGSA-N 0 0 444.487 4.150 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000018125894 557240675 /nfs/dbraw/zinc/24/06/75/557240675.db2.gz TYHWLDHUYDJYAF-CBPXPLCBSA-N 0 0 444.874 4.331 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000018136228 557242804 /nfs/dbraw/zinc/24/28/04/557242804.db2.gz JEJWPHLEQMJQQI-QFIPXVFZSA-N 0 0 437.492 4.330 50 0 IIAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OC ZINC000026534015 557243491 /nfs/dbraw/zinc/24/34/91/557243491.db2.gz XEKIRJJXWAOTDV-XSFVSMFZSA-N 0 0 439.512 4.082 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C=c3sc4nc(-c5ccccc5C)nn4c3=O)o2)cc1 ZINC000026533654 557243530 /nfs/dbraw/zinc/24/35/30/557243530.db2.gz VULUEWURDZZSBB-FYJGNVAPSA-N 0 0 427.485 4.137 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 ZINC000026564560 557244875 /nfs/dbraw/zinc/24/48/75/557244875.db2.gz SVTDHLYYPFCDBQ-JTSKRJEESA-N 0 0 432.492 4.271 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000018183625 557246589 /nfs/dbraw/zinc/24/65/89/557246589.db2.gz MFZBEVLUQVIPDO-UHFFFAOYSA-N 0 0 435.553 4.125 50 0 IIAARN CCOC(=O)C(C(=O)Nc1ccc(Br)cc1)=C1NC(C)(C)Cc2ccccc21 ZINC000100205298 557247485 /nfs/dbraw/zinc/24/74/85/557247485.db2.gz BIRJBIYALJEWSG-HNENSFHCSA-N 0 0 443.341 4.286 50 0 IIAARN Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)c(Cl)cc1Cl ZINC000390829569 557249523 /nfs/dbraw/zinc/24/95/23/557249523.db2.gz ZUULCHQQDKAACH-QGZVFWFLSA-N 0 0 432.350 4.171 50 0 IIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000027017580 557254310 /nfs/dbraw/zinc/25/43/10/557254310.db2.gz ZVCFFSFSSCRAEZ-JOCHJYFZSA-N 0 0 447.466 4.221 50 0 IIAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000027017317 557254362 /nfs/dbraw/zinc/25/43/62/557254362.db2.gz HFUFVDVWVSNGBM-HQQQLJABSA-N 0 0 441.336 4.330 50 0 IIAARN CC[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(Br)cc1 ZINC000000815664 557255939 /nfs/dbraw/zinc/25/59/39/557255939.db2.gz ZQNBFPRKEBQRFS-HNNXBMFYSA-N 0 0 432.347 4.149 50 0 IIAARN COc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100271922 557256316 /nfs/dbraw/zinc/25/63/16/557256316.db2.gz XZSDMVBTXYNMFO-INIZCTEOSA-N 0 0 439.320 4.006 50 0 IIAARN C[C@H](C(=O)Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1)n1cccn1 ZINC000027084578 557256690 /nfs/dbraw/zinc/25/66/90/557256690.db2.gz FCJKCJRHCNOKAF-GFCCVEGCSA-N 0 0 431.265 4.237 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365302 557261219 /nfs/dbraw/zinc/26/12/19/557261219.db2.gz AXRWEQQKIGFMHE-OAHLLOKOSA-N 0 0 433.585 4.316 50 0 IIAARN COc1ccc(OC)c(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cn3)C2=O)c1 ZINC000101189198 557262934 /nfs/dbraw/zinc/26/29/34/557262934.db2.gz SQZPOLPNQAZLHC-AQTBWJFISA-N 0 0 435.867 4.392 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000027570630 557265761 /nfs/dbraw/zinc/26/57/61/557265761.db2.gz PALHGAUGSRUORD-SANMLTNESA-N 0 0 446.572 4.442 50 0 biogenic IIAARN CCCOc1ccc(/C=C/C(=O)NCc2cc(OC)c(OC)cc2OC)cc1OCC ZINC000008343092 557268587 /nfs/dbraw/zinc/26/85/87/557268587.db2.gz MWSSTAJSBYOFBH-PKNBQFBNSA-N 0 0 429.513 4.230 50 0 IIAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000027664593 557270578 /nfs/dbraw/zinc/27/05/78/557270578.db2.gz CQTCRMOJARJEJX-OAQYLSRUSA-N 0 0 444.443 4.472 50 0 IIAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000027664592 557270606 /nfs/dbraw/zinc/27/06/06/557270606.db2.gz CQTCRMOJARJEJX-NRFANRHFSA-N 0 0 444.443 4.472 50 0 IIAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027743397 557272211 /nfs/dbraw/zinc/27/22/11/557272211.db2.gz CZXKEDXMMVNPQJ-INIZCTEOSA-N 0 0 432.756 4.476 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000101390580 557282862 /nfs/dbraw/zinc/28/28/62/557282862.db2.gz UOKXSTGEQAPTSE-NRFANRHFSA-N 0 0 425.554 4.227 50 0 IIAARN Cc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(F)cc5)CC4)csc3n2)cc1 ZINC000011665592 557284908 /nfs/dbraw/zinc/28/49/08/557284908.db2.gz HADISLQBPOUQAD-UHFFFAOYSA-N 0 0 434.540 4.402 50 0 IIAARN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc(Cl)c1OC(C)C ZINC000014075493 557298087 /nfs/dbraw/zinc/29/80/87/557298087.db2.gz IJHJNNVFQUKYFS-KRWDZBQOSA-N 0 0 438.977 4.001 50 0 IIAARN Cc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)Nc3ccccc3)C2=O)cc1 ZINC000102049333 557298371 /nfs/dbraw/zinc/29/83/71/557298371.db2.gz MDKWPNHGMBVMFS-QHCPKHFHSA-N 0 0 427.504 4.404 50 0 IIAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000023325005 557302722 /nfs/dbraw/zinc/30/27/22/557302722.db2.gz XFWICBBTMKNQSY-UHFFFAOYSA-N 0 0 439.899 4.123 50 0 IIAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1c[nH]c2ccccc12 ZINC000014095889 557302829 /nfs/dbraw/zinc/30/28/29/557302829.db2.gz PWZCPWFMNRPZLO-OAHLLOKOSA-N 0 0 429.567 4.101 50 0 IIAARN O=C(CN1c2ncccc2N=C(c2ccc(F)cc2)CC1=O)NCc1ccccc1Cl ZINC000101881208 557305149 /nfs/dbraw/zinc/30/51/49/557305149.db2.gz VHGNUKDYQXWNAC-UHFFFAOYSA-N 0 0 436.874 4.048 50 0 IIAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c2ccccc2S1 ZINC000014139160 557309291 /nfs/dbraw/zinc/30/92/91/557309291.db2.gz CZAAVERCJVSXPM-GKVSMKOHSA-N 0 0 449.576 4.078 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOc4ccccc43)c2)cc1 ZINC000014139461 557309784 /nfs/dbraw/zinc/30/97/84/557309784.db2.gz PHILGZWPOTZSLP-QFIPXVFZSA-N 0 0 436.533 4.074 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ncccc3C)C2=O)cc1 ZINC000103005279 557311905 /nfs/dbraw/zinc/31/19/05/557311905.db2.gz XFIOFILTDFCRRM-QNGOZBTKSA-N 0 0 427.460 4.207 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(C)CCOc4ccccc4)cc3C2=O)c1 ZINC000014160555 557311913 /nfs/dbraw/zinc/31/19/13/557311913.db2.gz XZPCGKMJTPEJQZ-UHFFFAOYSA-N 0 0 428.488 4.255 50 0 IIAARN COc1ccc(-c2cc(-c3cccc(OC)c3O)n([C@@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000102075032 557312618 /nfs/dbraw/zinc/31/26/18/557312618.db2.gz UXJMPXWRIUFZFJ-QHCPKHFHSA-N 0 0 427.460 4.481 50 0 IIAARN Cc1cccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000103130238 557313242 /nfs/dbraw/zinc/31/32/42/557313242.db2.gz DGIPIXVOSCFGRT-ZFFYZDHPSA-N 0 0 436.511 4.378 50 0 IIAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c(OC)c1 ZINC000102300714 557316046 /nfs/dbraw/zinc/31/60/46/557316046.db2.gz LLBWDRLYDTUTDN-UHFFFAOYSA-N 0 0 435.505 4.262 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000032915529 557318185 /nfs/dbraw/zinc/31/81/85/557318185.db2.gz CDIYAYRXGHXPRB-UHFFFAOYSA-N 0 0 439.921 4.105 50 0 IIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000032927730 557318528 /nfs/dbraw/zinc/31/85/28/557318528.db2.gz CJEGQZDRUGJKRW-MRXNPFEDSA-N 0 0 433.549 4.314 50 0 IIAARN O=C(Cn1c2ccccc2nc1C(=O)c1cccc(F)c1)NCCc1ccc(Cl)cc1 ZINC000032959196 557319201 /nfs/dbraw/zinc/31/92/01/557319201.db2.gz LFSCJPFNSWMIMK-UHFFFAOYSA-N 0 0 435.886 4.419 50 0 IIAARN CC[C@H](Sc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1)C(=O)Nc1ccccc1 ZINC000033087866 557322166 /nfs/dbraw/zinc/32/21/66/557322166.db2.gz NDAYLYAWLIMBNS-FQEVSTJZSA-N 0 0 443.594 4.303 50 0 IIAARN O=C(Nc1ccc(Cl)cn1)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000013479795 557322549 /nfs/dbraw/zinc/32/25/49/557322549.db2.gz BTOHMECLVGNWJM-UHFFFAOYSA-N 0 0 428.275 4.311 50 0 IIAARN Cn1c2ccccc2s/c1=N/C(=S)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000011667648 557325151 /nfs/dbraw/zinc/32/51/51/557325151.db2.gz AZZROXSEXAOLER-WJTDDFOZSA-N 0 0 431.542 4.086 50 0 IIAARN COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)ccc1OCC(C)C ZINC000033162078 557327956 /nfs/dbraw/zinc/32/79/56/557327956.db2.gz BHRRHJMUHTYZKY-ODLFYWEKSA-N 0 0 441.940 4.063 50 0 IIAARN CCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(F)cc2)no1)OCO3 ZINC000033279672 557331550 /nfs/dbraw/zinc/33/15/50/557331550.db2.gz QHNAPYDNCVRBGL-UHFFFAOYSA-N 0 0 440.456 4.017 50 0 IIAARN Cc1ccccc1Sc1nccnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000033288950 557332345 /nfs/dbraw/zinc/33/23/45/557332345.db2.gz DJVZSQFMXCSHRQ-UHFFFAOYSA-N 0 0 425.535 4.073 50 0 IIAARN O=C(Nc1ccccc1Cl)c1c(=O)n(-c2ccccc2Cl)[n-][n+]1Cc1ccccc1 ZINC000033434140 557335426 /nfs/dbraw/zinc/33/54/26/557335426.db2.gz MHXFMXATTGIISB-UHFFFAOYSA-O 0 0 440.310 4.473 50 0 IIAARN Cc1c(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cnn1C(F)F ZINC000044153880 557339735 /nfs/dbraw/zinc/33/97/35/557339735.db2.gz KJWVBSQXFRVDCQ-QGZVFWFLSA-N 0 0 430.480 4.178 50 0 IIAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OC(=O)C=Cc2ccccc2)ccc2ccccc21 ZINC000033602455 557342340 /nfs/dbraw/zinc/34/23/40/557342340.db2.gz OMGIHEJKPXKYTA-JBDIQEJZSA-N 0 0 442.471 4.260 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 ZINC000024976263 557342968 /nfs/dbraw/zinc/34/29/68/557342968.db2.gz PLVURPXTEMIQJV-UHFFFAOYSA-N 0 0 438.505 4.128 50 0 IIAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(OC)cc3)C(=O)C2)cc1 ZINC000102530889 557343076 /nfs/dbraw/zinc/34/30/76/557343076.db2.gz USRKOOLOHIWIIQ-UHFFFAOYSA-N 0 0 441.531 4.432 50 0 IIAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000014609377 557345152 /nfs/dbraw/zinc/34/51/52/557345152.db2.gz MGDVNHROBVTTTK-UHFFFAOYSA-N 0 0 427.483 4.036 50 0 IIAARN CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1NCCc1cccc(OC)c1 ZINC000023336600 557349228 /nfs/dbraw/zinc/34/92/28/557349228.db2.gz UEZKCYMMTSGZCE-UHFFFAOYSA-N 0 0 437.496 4.001 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000023334780 557349752 /nfs/dbraw/zinc/34/97/52/557349752.db2.gz XYLKMLCWIUMPIC-UHFFFAOYSA-N 0 0 447.535 4.142 50 0 IIAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102585167 557355662 /nfs/dbraw/zinc/35/56/62/557355662.db2.gz FQCZRJFOUFNFKT-IVZQSRNASA-N 0 0 432.480 4.369 50 0 IIAARN CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1NCc1ccccc1OCC ZINC000023432500 557355696 /nfs/dbraw/zinc/35/56/96/557355696.db2.gz IPMUEWKVMAWHHU-UHFFFAOYSA-N 0 0 437.496 4.348 50 0 IIAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cc(OC)c(O)c(OC)c3)C2)cc1 ZINC000102587364 557356130 /nfs/dbraw/zinc/35/61/30/557356130.db2.gz KQXYQMDYEJPKSJ-FPTDNZKUSA-N 0 0 448.479 4.075 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(OC)c1 ZINC000023461028 557360591 /nfs/dbraw/zinc/36/05/91/557360591.db2.gz MKEGUBRKRZAXSD-QHCPKHFHSA-N 0 0 442.519 4.474 50 0 IIAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675484 557364263 /nfs/dbraw/zinc/36/42/63/557364263.db2.gz HAORELBYUZLHQL-AWEZNQCLSA-N 0 0 437.500 4.422 50 0 IIAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102706502 557366419 /nfs/dbraw/zinc/36/64/19/557366419.db2.gz QDYNHOKMRBDKAV-QPTUXGOLSA-N 0 0 428.488 4.369 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000102707088 557366736 /nfs/dbraw/zinc/36/67/36/557366736.db2.gz MSOIFKSYWYSVLK-TZRRMPRUSA-N 0 0 444.487 4.145 50 0 IIAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n1 ZINC000220805301 557367169 /nfs/dbraw/zinc/36/71/69/557367169.db2.gz APFQMWCTZQKCEW-KRWDZBQOSA-N 0 0 429.476 4.246 50 0 IIAARN COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000011689879 557368482 /nfs/dbraw/zinc/36/84/82/557368482.db2.gz LSJVZIQTZFPOTL-UHFFFAOYSA-N 0 0 433.493 4.194 50 0 IIAARN O=C(c1cncc(Br)c1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220897575 557370404 /nfs/dbraw/zinc/37/04/04/557370404.db2.gz YBLALIGXSLLGNZ-GFCCVEGCSA-N 0 0 433.331 4.051 50 0 IIAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000023890449 557378518 /nfs/dbraw/zinc/37/85/18/557378518.db2.gz VGBMDKCODREAKB-UHFFFAOYSA-N 0 0 436.468 4.065 50 0 IIAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102761293 557385171 /nfs/dbraw/zinc/38/51/71/557385171.db2.gz HQSPYXVGXOZEBV-DNVJHFABSA-N 0 0 432.451 4.276 50 0 IIAARN Cc1ccc(C2=Nc3nnnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799816 557390210 /nfs/dbraw/zinc/39/02/10/557390210.db2.gz RIKHWKVOGRJOCG-HNNXBMFYSA-N 0 0 434.244 4.401 50 0 IIAARN CCOc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1 ZINC000004927840 557409002 /nfs/dbraw/zinc/40/90/02/557409002.db2.gz LAFQDVHXHKSMJC-UHFFFAOYSA-N 0 0 425.554 4.387 50 0 IIAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000102904081 557411725 /nfs/dbraw/zinc/41/17/25/557411725.db2.gz HITLRAXMDWNHRD-OALUTQOASA-N 0 0 431.517 4.243 50 0 IIAARN CCc1c(NC(=O)CCCOc2cccc(F)c2)nnn1CCc1ccc(OC)cc1 ZINC000408515165 557412296 /nfs/dbraw/zinc/41/22/96/557412296.db2.gz ATMFJAHTSQCNIV-UHFFFAOYSA-N 0 0 426.492 4.029 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1 ZINC000102917247 557412319 /nfs/dbraw/zinc/41/23/19/557412319.db2.gz IELVMZKIPVGBLP-OAQYLSRUSA-N 0 0 437.521 4.124 50 0 IIAARN Cc1ccc(OCc2nc(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)cs2)cc1 ZINC000024474806 557420452 /nfs/dbraw/zinc/42/04/52/557420452.db2.gz WJIOLHITYGFFNW-UHFFFAOYSA-N 0 0 439.928 4.446 50 0 IIAARN Cc1cccc(C2=N/C(=C\c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)C(=O)O2)c1 ZINC000100542428 557427218 /nfs/dbraw/zinc/42/72/18/557427218.db2.gz HPMAAOMWQNSRAF-STZFKDTASA-N 0 0 426.472 4.145 50 0 biogenic IIAARN O=C(Nc1ccc2c(c1)OCCO2)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccsc1 ZINC000103368411 557434041 /nfs/dbraw/zinc/43/40/41/557434041.db2.gz WZWREEDGSVHSAA-OAQYLSRUSA-N 0 0 449.557 4.088 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[C@H]1C ZINC000103503619 557437899 /nfs/dbraw/zinc/43/78/99/557437899.db2.gz SQYKHRACBUOSIN-RVKKMQEKSA-N 0 0 446.535 4.047 50 0 IIAARN COc1ccc(C2(C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)CCOCC2)cc1 ZINC000223226457 557448593 /nfs/dbraw/zinc/44/85/93/557448593.db2.gz LDBSYSGGCYGWEH-OAQYLSRUSA-N 0 0 439.581 4.230 50 0 IIAARN O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000014825949 557458946 /nfs/dbraw/zinc/45/89/46/557458946.db2.gz BMYKZQDJVYLKJB-UHFFFAOYSA-N 0 0 449.557 4.296 50 0 IIAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3)n2)c1 ZINC000105763540 557510189 /nfs/dbraw/zinc/51/01/89/557510189.db2.gz WZGHZTZBVCAKLR-UHFFFAOYSA-N 0 0 433.464 4.232 50 0 IIAARN CSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914015 557513550 /nfs/dbraw/zinc/51/35/50/557513550.db2.gz DNPMYUIGKUCDDC-UHFFFAOYSA-N 0 0 440.916 4.196 50 0 IIAARN CCc1cccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2N)c1 ZINC000046914502 557513804 /nfs/dbraw/zinc/51/38/04/557513804.db2.gz JSRCZCYUINHTHV-UHFFFAOYSA-N 0 0 448.552 4.414 50 0 IIAARN CSc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046915165 557514022 /nfs/dbraw/zinc/51/40/22/557514022.db2.gz SLHVAPPNCNVDBY-UHFFFAOYSA-N 0 0 434.525 4.160 50 0 IIAARN Cc1nn([C@H](C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c32)c(C)c1Cl ZINC000002804990 557522172 /nfs/dbraw/zinc/52/21/72/557522172.db2.gz LYOIJBJIQBLVRS-SECBINFHSA-N 0 0 441.891 4.308 50 0 IIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1coc(NC(=O)c2ccncc2)n1 ZINC000211072227 557533050 /nfs/dbraw/zinc/53/30/50/557533050.db2.gz MCPOGUNDOKXKCM-UHFFFAOYSA-N 0 0 426.476 4.274 50 0 IIAARN Cc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)COCc3ccccc3)n2)c1 ZINC000107391795 557535552 /nfs/dbraw/zinc/53/55/52/557535552.db2.gz FSUDCRGNDLBTAZ-UHFFFAOYSA-N 0 0 431.492 4.426 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3OCC)C2)cc1 ZINC000044803681 557537059 /nfs/dbraw/zinc/53/70/59/557537059.db2.gz JIIFWVMDWNDGHM-SFHVURJKSA-N 0 0 448.523 4.060 50 0 IIAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000044919866 557540945 /nfs/dbraw/zinc/54/09/45/557540945.db2.gz CWFINPWUCDDCFK-UHFFFAOYSA-N 0 0 427.460 4.350 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000108349188 557542387 /nfs/dbraw/zinc/54/23/87/557542387.db2.gz NMMLDIWUIQUSJX-DOQJBMMISA-N 0 0 441.478 4.215 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)n1cnc2c3cccnc3sc2c1=O ZINC000045895758 557546417 /nfs/dbraw/zinc/54/64/17/557546417.db2.gz LVCWEEXCWXGSPG-AWEZNQCLSA-N 0 0 428.901 4.258 50 0 IIAARN CCCCn1c2nnc(CCC(=O)Nc3cccc(SC)c3)n2c2ccsc2c1=O ZINC000045895910 557546790 /nfs/dbraw/zinc/54/67/90/557546790.db2.gz USKSYJLGNPCTJM-UHFFFAOYSA-N 0 0 441.582 4.199 50 0 IIAARN CCOCCOC(=O)c1nc2ccccc2nc1Nc1cc(OCC)ccc1OCC ZINC000045901370 557546817 /nfs/dbraw/zinc/54/68/17/557546817.db2.gz WSDYKISMLAOKLF-UHFFFAOYSA-N 0 0 425.485 4.364 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000045900640 557547021 /nfs/dbraw/zinc/54/70/21/557547021.db2.gz OFMWGXFVYSAPEB-UHFFFAOYSA-N 0 0 437.565 4.296 50 0 IIAARN CCc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2CC)cc1 ZINC000045900661 557547222 /nfs/dbraw/zinc/54/72/22/557547222.db2.gz GFHSAUKTOJZRBA-UHFFFAOYSA-N 0 0 437.565 4.241 50 0 IIAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)CS2 ZINC000045960888 557554823 /nfs/dbraw/zinc/55/48/23/557554823.db2.gz QBMBJQGYAGZEEW-UHFFFAOYSA-N 0 0 439.581 4.369 50 0 IIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4ccc(Cl)cc4)n3n2)cc1OC ZINC000045971959 557555551 /nfs/dbraw/zinc/55/55/51/557555551.db2.gz JNKQYXGEABJEBA-UHFFFAOYSA-N 0 0 428.901 4.048 50 0 IIAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1OC ZINC000045974118 557556066 /nfs/dbraw/zinc/55/60/66/557556066.db2.gz GJSQRRMFQZCTSS-UHFFFAOYSA-N 0 0 429.520 4.223 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCOCc2ccco2)cc1 ZINC000040017841 557679092 /nfs/dbraw/zinc/67/90/92/557679092.db2.gz PEJKZHHNHCIOEP-UHFFFAOYSA-N 0 0 431.492 4.478 50 0 IIAARN O=C(COc1c(I)cccc1C(F)(F)F)NCc1cccs1 ZINC000225544002 557739389 /nfs/dbraw/zinc/73/93/89/557739389.db2.gz LOKKBZVQTYUOKP-UHFFFAOYSA-N 0 0 441.212 4.067 50 0 IIAARN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)c1c(F)cccc1F ZINC000225550841 557740812 /nfs/dbraw/zinc/74/08/12/557740812.db2.gz SPXQSXBTIWMXSA-UHFFFAOYSA-N 0 0 428.273 4.149 50 0 IIAARN CO[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000225571002 557744472 /nfs/dbraw/zinc/74/44/72/557744472.db2.gz ABYALJYYJUYGSX-IEBWSBKVSA-N 0 0 440.968 4.030 50 0 IIAARN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000225573829 557745226 /nfs/dbraw/zinc/74/52/26/557745226.db2.gz LQMOKJCKHNBGMU-FDDCHVKYSA-N 0 0 425.916 4.013 50 0 IIAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccc(NC(C)=O)cc1)C1CC1 ZINC000225667786 557759859 /nfs/dbraw/zinc/75/98/59/557759859.db2.gz NBGRDDGMQHUPRV-JOCHJYFZSA-N 0 0 443.931 4.006 50 0 IIAARN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C(C)(C)C1 ZINC000225759872 557773853 /nfs/dbraw/zinc/77/38/53/557773853.db2.gz IZZHJVQKNSFJCZ-OAHLLOKOSA-N 0 0 429.330 4.354 50 0 IIAARN COCCn1c(C[C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3C)C2)nc2cccnc21 ZINC000096310577 557777645 /nfs/dbraw/zinc/77/76/45/557777645.db2.gz XWBSMAUDHONIIX-INIZCTEOSA-N 0 0 427.936 4.136 50 0 IIAARN COc1ccccc1CN1CN(Cc2ccccc2)Cc2c(-c3ccccc3)nc(N)n21 ZINC000226074324 557804088 /nfs/dbraw/zinc/80/40/88/557804088.db2.gz BOGGVYXSTUCFNY-UHFFFAOYSA-N 0 0 425.536 4.252 50 0 IIAARN O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn32)CC1 ZINC000061943387 557829346 /nfs/dbraw/zinc/82/93/46/557829346.db2.gz LRPGMVPQQLBMNE-UHFFFAOYSA-N 0 0 439.475 4.212 50 0 IIAARN Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000849757 557829462 /nfs/dbraw/zinc/82/94/62/557829462.db2.gz FDZSNXAXGKWDPK-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCC[C@@H](C)C1 ZINC000229811833 557833297 /nfs/dbraw/zinc/83/32/97/557833297.db2.gz KTTFRASFFDAQLE-FRIZHTMISA-N 0 0 449.473 4.324 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 ZINC000018543463 557837689 /nfs/dbraw/zinc/83/76/89/557837689.db2.gz SWBMGFNZFIGYMH-AWEZNQCLSA-N 0 0 426.494 4.223 50 0 IIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1 ZINC000000865298 557839077 /nfs/dbraw/zinc/83/90/77/557839077.db2.gz GOQKUVBMOQOSBM-MJGOQNOKSA-N 0 0 430.430 4.482 50 0 IIAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(OC)c1 ZINC000000866683 557839909 /nfs/dbraw/zinc/83/99/09/557839909.db2.gz LDCHHMCNLPLOEI-PBHICJAKSA-N 0 0 436.390 4.406 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cnc12 ZINC000025023582 557840150 /nfs/dbraw/zinc/84/01/50/557840150.db2.gz BEFYGSMPOLVATK-KRWDZBQOSA-N 0 0 432.549 4.111 50 0 IIAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1nc(-c2ccccc2)no1 ZINC000238950199 557842231 /nfs/dbraw/zinc/84/22/31/557842231.db2.gz XAMDZAICJFPMFU-OAQYLSRUSA-N 0 0 446.463 4.290 50 0 IIAARN O=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 ZINC000034708861 557851635 /nfs/dbraw/zinc/85/16/35/557851635.db2.gz NKVYXBGXMHLYBB-PKTZIBPZSA-N 0 0 430.523 4.431 50 0 IIAARN COc1ccc2[nH]c(C)c(CCNC(=O)[C@@H]3CCCC[C@@H]3C(=O)OCC(F)(F)F)c2c1 ZINC000001423645 560180607 /nfs/dbraw/zinc/18/06/07/560180607.db2.gz ZUXLEFNPFXHKRL-SJORKVTESA-N 0 0 440.462 4.056 50 0 biogenic,in-vitro IIAARN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000003626741 560189036 /nfs/dbraw/zinc/18/90/36/560189036.db2.gz NXFICBFQXYEHSU-JLPGSUDCSA-N 0 0 443.503 4.208 50 0 biogenic,in-vitro IIAARN C[C@@H]1CCCCN1C(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959958 562919803 /nfs/dbraw/zinc/91/98/03/562919803.db2.gz YDLLEDUBANYIIW-MRXNPFEDSA-N 0 0 437.927 4.133 50 0 IIAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1 ZINC000001002505 562920042 /nfs/dbraw/zinc/92/00/42/562920042.db2.gz OKXODNDIHCQYNF-UHFFFAOYSA-N 0 0 427.460 4.270 50 0 in-vitro IIAARN NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 ZINC000001465579 562922036 /nfs/dbraw/zinc/92/20/36/562922036.db2.gz KTBYQJIUINXSKF-UHFFFAOYSA-N 0 0 441.965 4.404 50 0 aggregator IIAARN COC(=O)[C@](O)(c1ccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002306034 562926870 /nfs/dbraw/zinc/92/68/70/562926870.db2.gz KLORHFAWQZYNNC-QGZVFWFLSA-N 0 0 436.213 4.193 50 0 IIAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccccc1OC(F)F ZINC000002633731 562928935 /nfs/dbraw/zinc/92/89/35/562928935.db2.gz FBYRVZLHRMHLDO-UHFFFAOYSA-N 0 0 425.602 4.439 50 0 IIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](OC(=O)C1=COCCO1)c1ccccc1 ZINC000002660337 562929604 /nfs/dbraw/zinc/92/96/04/562929604.db2.gz NKJZDWWHWWBAIB-QGZVFWFLSA-N 0 0 441.789 4.470 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000002912635 562930573 /nfs/dbraw/zinc/93/05/73/562930573.db2.gz NAIHUYFNYINOFB-CQSZACIVSA-N 0 0 444.329 4.132 50 0 IIAARN COc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(C)cc1 ZINC000002954041 562931184 /nfs/dbraw/zinc/93/11/84/562931184.db2.gz BVDSAFLUKCZYGM-FVDSYPCUSA-N 0 0 429.476 4.430 50 0 IIAARN CC[C@@H](Sc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1)C(=O)NCCOC ZINC000003033853 562931995 /nfs/dbraw/zinc/93/19/95/562931995.db2.gz MYTVQRYPZBGIIJ-HXUWFJFHSA-N 0 0 436.581 4.456 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2C)cc1 ZINC000003227095 562933042 /nfs/dbraw/zinc/93/30/42/562933042.db2.gz MBZWEGWHXAJYAS-NHCUHLMSSA-N 0 0 436.562 4.143 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2C)cc1 ZINC000003227094 562933080 /nfs/dbraw/zinc/93/30/80/562933080.db2.gz MBZWEGWHXAJYAS-LEWJYISDSA-N 0 0 436.562 4.143 50 0 IIAARN CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614689 562936760 /nfs/dbraw/zinc/93/67/60/562936760.db2.gz YXZBIUZOUDBGGB-VWLOTQADSA-N 0 0 441.487 4.278 50 0 IIAARN CCCCNC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000003645230 562937320 /nfs/dbraw/zinc/93/73/20/562937320.db2.gz SCYGXTMZRQQOJM-UHFFFAOYSA-N 0 0 427.448 4.290 50 0 IIAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000004168705 562942432 /nfs/dbraw/zinc/94/24/32/562942432.db2.gz IFXYPTZWCXACCQ-OAQYLSRUSA-N 0 0 436.361 4.433 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000006074156 562946162 /nfs/dbraw/zinc/94/61/62/562946162.db2.gz HZXNKHNEYNDVHW-UHFFFAOYSA-N 0 0 429.505 4.263 50 0 IIAARN O=C(c1sc2ccccc2c1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000006577063 562947393 /nfs/dbraw/zinc/94/73/93/562947393.db2.gz QKFAADOEFVVURY-LBPRGKRZSA-N 0 0 425.984 4.446 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000006577348 562947526 /nfs/dbraw/zinc/94/75/26/562947526.db2.gz NPNCEYPLLSDNDA-JOCHJYFZSA-N 0 0 428.444 4.345 50 0 IIAARN COc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000008583802 562949891 /nfs/dbraw/zinc/94/98/91/562949891.db2.gz HKNFAGXJKHYOKG-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O ZINC000008587817 562950453 /nfs/dbraw/zinc/95/04/53/562950453.db2.gz YMUAAQHBUDBCPY-UHFFFAOYSA-N 0 0 435.505 4.125 50 0 IIAARN COc1cc(OC)c(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc1Cl ZINC000008588275 562950659 /nfs/dbraw/zinc/95/06/59/562950659.db2.gz GKXWAHUHZORXEI-UHFFFAOYSA-N 0 0 433.917 4.026 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCCc4ccccc4)nc23)cc1 ZINC000008589538 562951296 /nfs/dbraw/zinc/95/12/96/562951296.db2.gz WKSISDCWQCCMIZ-UHFFFAOYSA-N 0 0 449.561 4.135 50 0 IIAARN COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3)c2=O)CCCC4)c1 ZINC000008593235 562952638 /nfs/dbraw/zinc/95/26/38/562952638.db2.gz LEARZJDRIVUCJU-UHFFFAOYSA-N 0 0 432.545 4.458 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)c1 ZINC000008594754 562953040 /nfs/dbraw/zinc/95/30/40/562953040.db2.gz MPEXHFJQGDIULH-UHFFFAOYSA-N 0 0 448.907 4.140 50 0 IIAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000008595849 562953692 /nfs/dbraw/zinc/95/36/92/562953692.db2.gz KXDSJYPFEHQYAB-UHFFFAOYSA-N 0 0 430.798 4.012 50 0 IIAARN CCc1ccc(N(CC)C(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000008595964 562953696 /nfs/dbraw/zinc/95/36/96/562953696.db2.gz JSYYPJZNUMNKDM-UHFFFAOYSA-N 0 0 434.471 4.196 50 0 IIAARN Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCCc1ccc(C)cc1 ZINC000008597638 562954043 /nfs/dbraw/zinc/95/40/43/562954043.db2.gz XXZOSRBWLUKAPI-GDLZYMKVSA-N 0 0 430.957 4.219 50 0 IIAARN COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000008598548 562954313 /nfs/dbraw/zinc/95/43/13/562954313.db2.gz PYWOSJCWRDYILJ-UHFFFAOYSA-N 0 0 431.419 4.157 50 0 IIAARN CCOC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000008599318 562954639 /nfs/dbraw/zinc/95/46/39/562954639.db2.gz KCRXJOSVZIGWAP-UHFFFAOYSA-N 0 0 449.528 4.473 50 0 IIAARN CC[C@H](C(=O)Nc1cc(OC)ccc1OC)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000008599707 562954827 /nfs/dbraw/zinc/95/48/27/562954827.db2.gz YJXUELNLAKPQDW-OAHLLOKOSA-N 0 0 435.402 4.022 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000008600156 562954922 /nfs/dbraw/zinc/95/49/22/562954922.db2.gz IPCDOWUILKZTME-UHFFFAOYSA-N 0 0 446.374 4.012 50 0 IIAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 ZINC000008601601 562955510 /nfs/dbraw/zinc/95/55/10/562955510.db2.gz GMIZBGPTHGISRP-FQEVSTJZSA-N 0 0 433.489 4.073 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 ZINC000008603440 562955995 /nfs/dbraw/zinc/95/59/95/562955995.db2.gz RKSGCMWYYQDPHH-UHFFFAOYSA-N 0 0 434.521 4.289 50 0 IIAARN CCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1cc(C)ccc1C ZINC000008604355 562956381 /nfs/dbraw/zinc/95/63/81/562956381.db2.gz SWORMYSSWHSFTK-UHFFFAOYSA-N 0 0 426.520 4.052 50 0 IIAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)NCc4cccc(Cl)c4)ncn23)s1 ZINC000008605122 562956639 /nfs/dbraw/zinc/95/66/39/562956639.db2.gz MCLZWXMITWKLCZ-UHFFFAOYSA-N 0 0 428.945 4.023 50 0 IIAARN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1OC ZINC000008607261 562957287 /nfs/dbraw/zinc/95/72/87/562957287.db2.gz JQXYGFAFIDPQQI-UHFFFAOYSA-N 0 0 430.504 4.145 50 0 IIAARN Cc1ccc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)cc1C ZINC000008610482 562958199 /nfs/dbraw/zinc/95/81/99/562958199.db2.gz JNHBDAZOMJGJIM-UHFFFAOYSA-N 0 0 427.570 4.319 50 0 IIAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2c(C)c1 ZINC000008612023 562958930 /nfs/dbraw/zinc/95/89/30/562958930.db2.gz WVZSPKQTXUXRBY-UHFFFAOYSA-N 0 0 426.538 4.405 50 0 aggregator IIAARN Cc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c2=O)s1 ZINC000008614878 562959676 /nfs/dbraw/zinc/95/96/76/562959676.db2.gz NMQXEXFUKUJSIX-CQSZACIVSA-N 0 0 433.537 4.228 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)nc1n2CC[C@H](C)C1 ZINC000008614470 562959683 /nfs/dbraw/zinc/95/96/83/562959683.db2.gz WHWAKXYQGZAXMS-ZDUSSCGKSA-N 0 0 428.330 4.320 50 0 IIAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC1CCCC1 ZINC000008649094 562960155 /nfs/dbraw/zinc/96/01/55/562960155.db2.gz AJJHBISTGBMVTK-UHFFFAOYSA-N 0 0 427.595 4.284 50 0 IIAARN COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)CCCC2)cc1OC ZINC000008654564 562960222 /nfs/dbraw/zinc/96/02/22/562960222.db2.gz MPAKTSABBPLNOQ-UHFFFAOYSA-N 0 0 430.932 4.232 50 0 IIAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)N1CCOCC1 ZINC000008673788 562961290 /nfs/dbraw/zinc/96/12/90/562961290.db2.gz LFJFZDFFYIEEEN-UHFFFAOYSA-N 0 0 447.969 4.153 50 0 IIAARN COc1ccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000008683533 562962000 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/nfs/dbraw/zinc/80/05/09/568800509.db2.gz USKADVQUDVUYMR-PHEKWQANSA-N 0 0 436.129 4.114 50 0 IIAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c1 ZINC000015670401 568802319 /nfs/dbraw/zinc/80/23/19/568802319.db2.gz ALLPONUALHOUME-GOSISDBHSA-N 0 0 446.898 4.169 50 0 IIAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(Cc1cccnc1)C2=O ZINC000015676517 568804244 /nfs/dbraw/zinc/80/42/44/568804244.db2.gz IDERVTNGWSILMX-RUZDIDTESA-N 0 0 437.588 4.045 50 0 IIAARN O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCCCc1ccccc1 ZINC000015677907 568804960 /nfs/dbraw/zinc/80/49/60/568804960.db2.gz DAQARBBQMHYLAS-DEOSSOPVSA-N 0 0 429.520 4.078 50 0 IIAARN O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032492090 568811328 /nfs/dbraw/zinc/81/13/28/568811328.db2.gz IXBINAOQVDFFSM-LJQANCHMSA-N 0 0 434.458 4.226 50 0 IIAARN Cc1ccsc1CCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nc2C)no1 ZINC000015729780 568813702 /nfs/dbraw/zinc/81/37/02/568813702.db2.gz MAOWUZMXPOQQJY-UHFFFAOYSA-N 0 0 427.917 4.227 50 0 IIAARN C[C@H]1CSc2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2NC1=O ZINC000015730696 568814083 /nfs/dbraw/zinc/81/40/83/568814083.db2.gz ZWYHCYKBLCQHOA-VIFPVBQESA-N 0 0 445.335 4.069 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015731262 568814575 /nfs/dbraw/zinc/81/45/75/568814575.db2.gz FUAYVTSGDBIKKA-UHFFFAOYSA-N 0 0 439.563 4.238 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c(OC)c1 ZINC000015733345 568815658 /nfs/dbraw/zinc/81/56/58/568815658.db2.gz MPCWHTIQWUYRNE-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CCOc1ccccc1CNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733407 568815713 /nfs/dbraw/zinc/81/57/13/568815713.db2.gz CREQKGGKYDRNOL-UHFFFAOYSA-N 0 0 429.476 4.498 50 0 IIAARN CCc1cc2c(cc1S(=O)(=O)N(CC)c1ccc(OC)cc1)[nH]c1c2C(=O)CCC1 ZINC000015733865 568816127 /nfs/dbraw/zinc/81/61/27/568816127.db2.gz APAJKXHCFXIKQT-UHFFFAOYSA-N 0 0 426.538 4.473 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)C1 ZINC000006049157 568816525 /nfs/dbraw/zinc/81/65/25/568816525.db2.gz TZGKMSQFCKBARW-PMAPCBKXSA-N 0 0 426.582 4.161 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2ccc(N3CCOc4ccc(Cl)cc43)s2)CC1 ZINC000015735069 568816667 /nfs/dbraw/zinc/81/66/67/568816667.db2.gz TVMLTWOZEFYITC-UHFFFAOYSA-N 0 0 434.945 4.347 50 0 IIAARN COc1ccc(NC(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)cc1 ZINC000015735093 568816791 /nfs/dbraw/zinc/81/67/91/568816791.db2.gz WHWKKBRDAGZDJO-UHFFFAOYSA-N 0 0 436.537 4.047 50 0 IIAARN CNC(=O)c1cc(C(=O)c2ccc(Nc3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)ccn1 ZINC000085393817 568817105 /nfs/dbraw/zinc/81/71/05/568817105.db2.gz SMKOZEPUHOPWMR-UHFFFAOYSA-N 0 0 439.397 4.311 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccco2)ccc1F ZINC000015781261 568825792 /nfs/dbraw/zinc/82/57/92/568825792.db2.gz NKEZVGMJNIBFOK-HXUWFJFHSA-N 0 0 435.904 4.254 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000015781696 568826031 /nfs/dbraw/zinc/82/60/31/568826031.db2.gz XKWNYIOHUBELPZ-FQEVSTJZSA-N 0 0 426.513 4.487 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000015783580 568827003 /nfs/dbraw/zinc/82/70/03/568827003.db2.gz ZWKFELOTXKWEHO-UZLBHIALSA-N 0 0 434.565 4.048 50 0 IIAARN COc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)c1OC ZINC000085643816 568829007 /nfs/dbraw/zinc/82/90/07/568829007.db2.gz VTKBMFPNVGWUMM-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(F)c4)no3)o2)cc1OC ZINC000085643867 568829038 /nfs/dbraw/zinc/82/90/38/568829038.db2.gz MPYXBRCOIBFRPF-UHFFFAOYSA-N 0 0 444.440 4.127 50 0 IIAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000085649344 568830782 /nfs/dbraw/zinc/83/07/82/568830782.db2.gz KOQBMEYWQDDKQH-UHFFFAOYSA-N 0 0 430.552 4.465 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000085712508 568835506 /nfs/dbraw/zinc/83/55/06/568835506.db2.gz DIRVZKMBWXIMCA-UHFFFAOYSA-N 0 0 444.553 4.409 50 0 IIAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([C@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000101648680 568837213 /nfs/dbraw/zinc/83/72/13/568837213.db2.gz NKLNEMXFGBGNNF-FLQFKEFXSA-N 0 0 439.511 4.017 50 0 IIAARN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085879692 568839190 /nfs/dbraw/zinc/83/91/90/568839190.db2.gz HBHDJQWPQBCLBH-KRWDZBQOSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COc1cc(OC)c(NC(=O)C2CCN(c3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000015821397 568839826 /nfs/dbraw/zinc/83/98/26/568839826.db2.gz MPPPDFZRKJNYJQ-UHFFFAOYSA-N 0 0 442.903 4.262 50 0 IIAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)Nc1ccc(C)cc1C ZINC000015824424 568840369 /nfs/dbraw/zinc/84/03/69/568840369.db2.gz SCHCLXSNDFIYJY-UHFFFAOYSA-N 0 0 438.553 4.424 50 0 IIAARN CN1c2ccc(-c3noc(CNC(=O)c4ccco4)n3)cc2Sc2ccccc2C1=O ZINC000015826111 568840681 /nfs/dbraw/zinc/84/06/81/568840681.db2.gz BLEGHVQPIBRZKK-UHFFFAOYSA-N 0 0 432.461 4.001 50 0 IIAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004542322 568841818 /nfs/dbraw/zinc/84/18/18/568841818.db2.gz JNJPIMJOLAZZKT-UHFFFAOYSA-N 0 0 427.085 4.105 50 0 IIAARN Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)o1 ZINC000015861435 568848243 /nfs/dbraw/zinc/84/82/43/568848243.db2.gz LUWHRZBPSCGEMD-CQSZACIVSA-N 0 0 427.570 4.286 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006166747 568849314 /nfs/dbraw/zinc/84/93/14/568849314.db2.gz IKPZHCDORZIONB-UHFFFAOYSA-N 0 0 431.304 4.466 50 0 IIAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)C(C)(C)C)cc4s3)cc(=O)n2o1 ZINC000015864492 568849761 /nfs/dbraw/zinc/84/97/61/568849761.db2.gz YBZHVRGELVSXQF-UHFFFAOYSA-N 0 0 428.539 4.483 50 0 IIAARN Cc1ccc(N2CCN(c3c(C)c(C)nc4nc(Cc5cccc(F)c5)nn43)CC2)c(C)c1 ZINC000015865161 568849885 /nfs/dbraw/zinc/84/98/85/568849885.db2.gz FMQGVZZEFRBVIG-UHFFFAOYSA-N 0 0 444.558 4.414 50 0 IIAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nnc(-c3ccco3)o2)no1 ZINC000015867212 568850688 /nfs/dbraw/zinc/85/06/88/568850688.db2.gz ZKVWTSCKNJVDQV-UHFFFAOYSA-N 0 0 429.433 4.024 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000015882842 568857421 /nfs/dbraw/zinc/85/74/21/568857421.db2.gz DJODURGYJNBFFK-UHFFFAOYSA-N 0 0 444.409 4.344 50 0 IIAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)c(Cl)cc3C)nn2)cc1 ZINC000015884229 568858083 /nfs/dbraw/zinc/85/80/83/568858083.db2.gz MQMHHDATZMOMBA-UHFFFAOYSA-N 0 0 431.945 4.080 50 0 IIAARN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414591 568862456 /nfs/dbraw/zinc/86/24/56/568862456.db2.gz BWHBKVOKQUGVQX-QGZVFWFLSA-N 0 0 431.863 4.361 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000016033058 568867578 /nfs/dbraw/zinc/86/75/78/568867578.db2.gz XADZWCNKQGOSMJ-VWNXMTODSA-N 0 0 425.463 4.093 50 0 IIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCS(=O)(=O)c2ccc(C)cc2)cs1 ZINC000016276776 568875464 /nfs/dbraw/zinc/87/54/64/568875464.db2.gz OOWJCHRYPNXLGF-UHFFFAOYSA-N 0 0 426.563 4.180 50 0 IIAARN COc1cccc(-c2cc(C(=O)NCCn3nc(C)c(-c4cccs4)c3C)n(C)n2)c1 ZINC000575613286 568879590 /nfs/dbraw/zinc/87/95/90/568879590.db2.gz ZDQZQMGYUOGMDR-UHFFFAOYSA-N 0 0 435.553 4.068 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)nc1 ZINC000006244424 568880867 /nfs/dbraw/zinc/88/08/67/568880867.db2.gz KWRCEGZSFBIFFW-UHFFFAOYSA-N 0 0 428.485 4.275 50 0 IIAARN O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615704 568881352 /nfs/dbraw/zinc/88/13/52/568881352.db2.gz FMKMDRVPBJRXME-HXUWFJFHSA-N 0 0 448.972 4.058 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000010031892 568884220 /nfs/dbraw/zinc/88/42/20/568884220.db2.gz DUEXIMOGALTXJJ-XVNBXDOJSA-N 0 0 440.805 4.198 50 0 IIAARN COc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000010584365 568884425 /nfs/dbraw/zinc/88/44/25/568884425.db2.gz KLGMGNUYOVTVDN-JOCHJYFZSA-N 0 0 429.520 4.213 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32c3cc(C)ccc3N(C)C2=O)cc1 ZINC000226945767 568885572 /nfs/dbraw/zinc/88/55/72/568885572.db2.gz HHFCVIJJMXIHEJ-ZEQKJWHPSA-N 0 0 425.488 4.377 50 0 IIAARN CC(=O)c1ccc(O[C@@H]2C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000229603098 568886739 /nfs/dbraw/zinc/88/67/39/568886739.db2.gz ZXRDEEIVCOQLJO-NJYVYQBISA-N 0 0 444.325 4.162 50 0 IIAARN Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000090592840 568888755 /nfs/dbraw/zinc/88/87/55/568888755.db2.gz IMDHEFKIQBDEJP-UHFFFAOYSA-N 0 0 429.386 4.421 50 0 IIAARN COc1cc(OC)c(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1OC ZINC000012972361 568889353 /nfs/dbraw/zinc/88/93/53/568889353.db2.gz KZCHZCDIBIKHHJ-UHFFFAOYSA-N 0 0 436.512 4.340 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1 ZINC000090610319 568892291 /nfs/dbraw/zinc/89/22/91/568892291.db2.gz GYDOTHVPSUPBMN-HNNXBMFYSA-N 0 0 431.485 4.033 50 0 IIAARN COc1cccc2cc(C(=O)N3CCO[C@@H](c4cc(Cl)cc(Cl)c4)C3)c(=O)oc21 ZINC000090613828 568892357 /nfs/dbraw/zinc/89/23/57/568892357.db2.gz KWWNOXMKFQJCMV-GOSISDBHSA-N 0 0 434.275 4.322 50 0 IIAARN CCCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1C ZINC000090613703 568892417 /nfs/dbraw/zinc/89/24/17/568892417.db2.gz ILDIGYHPVQAEIS-FQEVSTJZSA-N 0 0 437.608 4.467 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc([C@H](O)c2cccs2)s1 ZINC000090613696 568892486 /nfs/dbraw/zinc/89/24/86/568892486.db2.gz AXTQAOWFDFWUNJ-QGZVFWFLSA-N 0 0 429.972 4.032 50 0 IIAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C=C/c1cccs1 ZINC000014092874 568892880 /nfs/dbraw/zinc/89/28/80/568892880.db2.gz YQMMEGBQGDYHHK-SDNWHVSQSA-N 0 0 435.615 4.277 50 0 IIAARN Cc1sc2nc(-c3ccccc3)n(CC(=O)N3CCc4ccccc4C3)c(=O)c2c1C ZINC000012997364 568896974 /nfs/dbraw/zinc/89/69/74/568896974.db2.gz VAECNKKGBICBTF-UHFFFAOYSA-N 0 0 429.545 4.327 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)Cc2cccc(F)c2)cc1OC ZINC000012997935 568897059 /nfs/dbraw/zinc/89/70/59/568897059.db2.gz PVHQOPOAJMNYHT-UHFFFAOYSA-N 0 0 433.476 4.373 50 0 IIAARN CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2cc(Cl)ccc2c1=O ZINC000013002537 568898353 /nfs/dbraw/zinc/89/83/53/568898353.db2.gz VHPMTQKXAYNAJW-UHFFFAOYSA-N 0 0 432.929 4.452 50 0 IIAARN CCC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013011239 568900030 /nfs/dbraw/zinc/90/00/30/568900030.db2.gz KHEVNEYDQYBGSF-BTYIYWSLSA-N 0 0 447.988 4.016 50 0 IIAARN O=C(c1cnn(Cc2ccccc2)c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013014380 568901488 /nfs/dbraw/zinc/90/14/88/568901488.db2.gz PMAVELRPCYDUHO-UHFFFAOYSA-N 0 0 449.514 4.011 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c3ccccc3n2)o1 ZINC000013017824 568901793 /nfs/dbraw/zinc/90/17/93/568901793.db2.gz LJAPXIJDAFAGGY-UHFFFAOYSA-N 0 0 432.524 4.167 50 0 IIAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013020794 568902247 /nfs/dbraw/zinc/90/22/47/568902247.db2.gz HGYILURZYVYRLE-IBGZPJMESA-N 0 0 442.515 4.406 50 0 IIAARN Cc1cccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001785642 568907259 /nfs/dbraw/zinc/90/72/59/568907259.db2.gz NEIAVGNUYHWZLL-UHFFFAOYSA-N 0 0 444.560 4.429 50 0 IIAARN COc1cc(OC)cc([C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2nccn2C)c1 ZINC000016471401 568907860 /nfs/dbraw/zinc/90/78/60/568907860.db2.gz ZWGSJMFRTSNUAL-RUZDIDTESA-N 0 0 441.531 4.475 50 0 IIAARN CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 ZINC000239275141 568910942 /nfs/dbraw/zinc/91/09/42/568910942.db2.gz BFZUDWWDMZJZKM-WTOYTKOKSA-N 0 0 443.293 4.212 50 0 IIAARN CN(Cc1ccccc1NS(=O)(=O)c1cccc2ncccc21)C(=O)c1cccs1 ZINC000089363614 568921268 /nfs/dbraw/zinc/92/12/68/568921268.db2.gz JITPSBWBKUGPEW-UHFFFAOYSA-N 0 0 437.546 4.369 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4C)cc3C2=O)c1 ZINC000001962747 568924021 /nfs/dbraw/zinc/92/40/21/568924021.db2.gz BGBUBFFXSCTVIY-UHFFFAOYSA-N 0 0 442.471 4.208 50 0 IIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000026902693 568924181 /nfs/dbraw/zinc/92/41/81/568924181.db2.gz NHTVIFMZCWACGE-UHFFFAOYSA-N 0 0 427.570 4.206 50 0 IIAARN CC(C)C12CN(C(=O)c3ccccc3)CC(C(C)C)(CN(C(=O)c3ccccc3)C1)C2=O ZINC000000915640 568924628 /nfs/dbraw/zinc/92/46/28/568924628.db2.gz LPKNMGHBKWUVGJ-UHFFFAOYSA-N 0 0 432.564 4.152 50 0 biogenic IIAARN COC(=O)Cc1c(C)c2ccc(OCc3ccccc3Br)c(C)c2oc1=O ZINC000002095877 568924951 /nfs/dbraw/zinc/92/49/51/568924951.db2.gz OSVHKRVTEWBHMC-UHFFFAOYSA-N 0 0 431.282 4.467 50 0 biogenic IIAARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccccc3O)nc(N3CCCCCC3)n2)cc1 ZINC000252625852 568926251 /nfs/dbraw/zinc/92/62/51/568926251.db2.gz QQJFJEIPVOTWKC-UHFFFAOYSA-N 0 0 448.487 4.055 50 0 IIAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1nccs1 ZINC000016641527 568927596 /nfs/dbraw/zinc/92/75/96/568927596.db2.gz QPPRZCBETOELRY-UHFFFAOYSA-N 0 0 442.349 4.432 50 0 IIAARN CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000016645861 568927773 /nfs/dbraw/zinc/92/77/73/568927773.db2.gz PWAAEUMFHVABHI-SFHVURJKSA-N 0 0 432.590 4.120 50 0 IIAARN CC(C)CC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450865 568928829 /nfs/dbraw/zinc/92/88/29/568928829.db2.gz GUQGMFKVNKBFIW-UHFFFAOYSA-N 0 0 440.617 4.363 50 0 IIAARN C[C@@H](OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000089518773 568929032 /nfs/dbraw/zinc/92/90/32/568929032.db2.gz LGWVHIMXXPKYDK-LLVKDONJSA-N 0 0 434.283 4.050 50 0 IIAARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccco1 ZINC000016653491 568929562 /nfs/dbraw/zinc/92/95/62/568929562.db2.gz OOXDIRLAWGIPDP-UHFFFAOYSA-N 0 0 431.485 4.485 50 0 IIAARN COc1cc(OC)c(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471886 568929762 /nfs/dbraw/zinc/92/97/62/568929762.db2.gz HLCNLGLSZFCNOQ-UHFFFAOYSA-N 0 0 445.878 4.261 50 0 IIAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)cc3OC)cc2-c2cccnc2)cc1 ZINC000064472857 568929814 /nfs/dbraw/zinc/92/98/14/568929814.db2.gz WXTRDKFSQRSJFF-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1cccc(Cl)c1)C3 ZINC000054278209 568931006 /nfs/dbraw/zinc/93/10/06/568931006.db2.gz KTNIBNVJWNIVDJ-UHFFFAOYSA-N 0 0 427.884 4.131 50 0 IIAARN O=C(CSc1ncc(-c2ccccc2)n1C1CC1)N1CCN(Cc2cccs2)CC1 ZINC000031193846 568931463 /nfs/dbraw/zinc/93/14/63/568931463.db2.gz AEXGKIDBSWQPNR-UHFFFAOYSA-N 0 0 438.622 4.383 50 0 IIAARN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2c(cc1SC(C)C)n(C)c(=O)n2C ZINC000064580878 568934556 /nfs/dbraw/zinc/93/45/56/568934556.db2.gz SJCZGWQSSPPRRV-UHFFFAOYSA-N 0 0 439.990 4.140 50 0 IIAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1c(C)cccc1C ZINC000064593489 568935828 /nfs/dbraw/zinc/93/58/28/568935828.db2.gz UTXGQQFJVCQUCZ-GOSISDBHSA-N 0 0 433.537 4.006 50 0 IIAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)cc1 ZINC000064593824 568936182 /nfs/dbraw/zinc/93/61/82/568936182.db2.gz PQOFZNHURQFZTJ-UHFFFAOYSA-N 0 0 448.548 4.179 50 0 IIAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 ZINC000064610867 568939984 /nfs/dbraw/zinc/93/99/84/568939984.db2.gz FHTFCBDDVPVHMC-UHFFFAOYSA-N 0 0 434.477 4.163 50 0 IIAARN Cc1cccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)c1 ZINC000064611243 568940061 /nfs/dbraw/zinc/94/00/61/568940061.db2.gz SCVCCDAYAJUORT-UHFFFAOYSA-N 0 0 439.519 4.373 50 0 IIAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)Nc1ccc(F)cc1Cl ZINC000064611374 568940244 /nfs/dbraw/zinc/94/02/44/568940244.db2.gz ZVNBLPBPONSDTD-QFIPXVFZSA-N 0 0 429.923 4.030 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1 ZINC000064660145 568942541 /nfs/dbraw/zinc/94/25/41/568942541.db2.gz BJHRJMWBXORCFQ-UHFFFAOYSA-N 0 0 428.579 4.491 50 0 IIAARN CC[C@@H](C)CN1C(=O)[C@@H](CC(C)C)NC12CCN(C(=S)Nc1cccc(C)c1)CC2 ZINC000036032784 568943816 /nfs/dbraw/zinc/94/38/16/568943816.db2.gz SVAQYOLEMLLBOS-WIYYLYMNSA-N 0 0 430.662 4.377 50 0 IIAARN CC[C@@H](C)NC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703823 568944450 /nfs/dbraw/zinc/94/44/50/568944450.db2.gz OSJFUYOEPNMGDF-CYBMUJFWSA-N 0 0 432.569 4.158 50 0 IIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)Cc2ccccc2)c1 ZINC000036073738 568946256 /nfs/dbraw/zinc/94/62/56/568946256.db2.gz FHMAFPOPTQEDIR-QHCPKHFHSA-N 0 0 433.552 4.403 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000036083733 568947421 /nfs/dbraw/zinc/94/74/21/568947421.db2.gz DYZLDOCPTGXMQY-QFIPXVFZSA-N 0 0 440.471 4.011 50 0 IIAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1 ZINC000036084497 568947729 /nfs/dbraw/zinc/94/77/29/568947729.db2.gz BZDIUVMGNLFDIJ-QHCPKHFHSA-N 0 0 438.911 4.453 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3cc(Cl)ccc3Cl)n2)C1 ZINC000036084670 568947799 /nfs/dbraw/zinc/94/77/99/568947799.db2.gz UXMIWZSBMXISOA-GFCCVEGCSA-N 0 0 443.352 4.444 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1 ZINC000064746941 568950272 /nfs/dbraw/zinc/95/02/72/568950272.db2.gz SDGKNQGLOIUFBI-UHFFFAOYSA-N 0 0 442.500 4.321 50 0 IIAARN CCCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccc(OC)c(OC)c1)CC2 ZINC000064754481 568950854 /nfs/dbraw/zinc/95/08/54/568950854.db2.gz OIYAUJKEOWQKPN-UHFFFAOYSA-N 0 0 448.519 4.326 50 0 IIAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1 ZINC000064754612 568951022 /nfs/dbraw/zinc/95/10/22/568951022.db2.gz LZJCDRHNTFXJRV-HXUWFJFHSA-N 0 0 427.504 4.493 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)NCc4ccc(F)cc4)CC3=O)c2)cc1 ZINC000064754722 568951031 /nfs/dbraw/zinc/95/10/31/568951031.db2.gz AHULKFCSQIPSRK-HXUWFJFHSA-N 0 0 445.494 4.056 50 0 IIAARN CSc1ccc(CNC(=O)c2nnn(-c3cccc(F)c3C)c2-c2ccccn2)cc1 ZINC000064757956 568952073 /nfs/dbraw/zinc/95/20/73/568952073.db2.gz WVWCBKPGCUEBAY-UHFFFAOYSA-N 0 0 433.512 4.429 50 0 IIAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCC2(CC1)OCCO2 ZINC000064759537 568952104 /nfs/dbraw/zinc/95/21/04/568952104.db2.gz IOZGMKAEFUPWHW-UHFFFAOYSA-N 0 0 426.542 4.028 50 0 biogenic IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000064775689 568954688 /nfs/dbraw/zinc/95/46/88/568954688.db2.gz COXWFVLSEJWXOP-NRFANRHFSA-N 0 0 449.532 4.440 50 0 IIAARN O=C(CN(C(=O)C1CCCC1)C1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119507 568956113 /nfs/dbraw/zinc/95/61/13/568956113.db2.gz UYDNXXPGTRCEEI-QFIPXVFZSA-N 0 0 438.593 4.434 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cc(C)ccc4C)c(=O)n23)c1 ZINC000064788046 568956455 /nfs/dbraw/zinc/95/64/55/568956455.db2.gz BYWWDZYXKVPCNY-UHFFFAOYSA-N 0 0 435.505 4.309 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(C)c(C)c4)c(=O)n23)c1 ZINC000064788049 568956476 /nfs/dbraw/zinc/95/64/76/568956476.db2.gz NCIXENMCCBLKQU-UHFFFAOYSA-N 0 0 435.505 4.309 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)NCCC4=CCCCC4)c(=O)n23)c1 ZINC000064788037 568956478 /nfs/dbraw/zinc/95/64/78/568956478.db2.gz CWJXZOMYYLSDAP-UHFFFAOYSA-N 0 0 439.537 4.061 50 0 IIAARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4c2c(C)cc(C)cc2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788166 568956657 /nfs/dbraw/zinc/95/66/57/568956657.db2.gz FAHIBYCTIQRFPY-RUZDIDTESA-N 0 0 443.547 4.059 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)=O ZINC000036120119 568957116 /nfs/dbraw/zinc/95/71/16/568957116.db2.gz VWXQZCCKUXLXKI-VGOFRKELSA-N 0 0 428.598 4.456 50 0 IIAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)=O ZINC000036120118 568957190 /nfs/dbraw/zinc/95/71/90/568957190.db2.gz VWXQZCCKUXLXKI-JTSKRJEESA-N 0 0 428.598 4.456 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120521 568957300 /nfs/dbraw/zinc/95/73/00/568957300.db2.gz KHLDNAWTZPTRKZ-IBGZPJMESA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036121719 568957989 /nfs/dbraw/zinc/95/79/89/568957989.db2.gz ZDIXSISEFASJBA-NRFANRHFSA-N 0 0 444.572 4.287 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122661 568958121 /nfs/dbraw/zinc/95/81/21/568958121.db2.gz JDLBXJZECZWTRP-RXVVDRJESA-N 0 0 443.613 4.471 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)[C@@H](C)CC ZINC000036122819 568958320 /nfs/dbraw/zinc/95/83/20/568958320.db2.gz LFHZPZWZDCOVQM-RXVVDRJESA-N 0 0 443.613 4.391 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C ZINC000036122812 568958361 /nfs/dbraw/zinc/95/83/61/568958361.db2.gz ZWQNYKNSMWVKRF-NRFANRHFSA-N 0 0 443.613 4.391 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036123006 568958491 /nfs/dbraw/zinc/95/84/91/568958491.db2.gz SBLWKQUQEKNDQY-LJQANCHMSA-N 0 0 447.576 4.224 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)CC(C)C ZINC000036122954 568958565 /nfs/dbraw/zinc/95/85/65/568958565.db2.gz WZTFRUCJPROYLK-LJQANCHMSA-N 0 0 447.576 4.080 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)[C@H](C)CC ZINC000036123157 568958586 /nfs/dbraw/zinc/95/85/86/568958586.db2.gz LRTCIJBNVWPWIC-OXQOHEQNSA-N 0 0 447.576 4.222 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(C)cc2C)c1C ZINC000064792251 568959193 /nfs/dbraw/zinc/95/91/93/568959193.db2.gz AMRVJKJDYDYTNT-UHFFFAOYSA-N 0 0 429.524 4.074 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2ccccc2)cc1 ZINC000064793302 568959557 /nfs/dbraw/zinc/95/95/57/568959557.db2.gz OYLWELKMPURMRT-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CCCC2)n1C1CCCC1 ZINC000064794024 568959902 /nfs/dbraw/zinc/95/99/02/568959902.db2.gz RLQMMTMZRUODFQ-UHFFFAOYSA-N 0 0 442.614 4.403 50 0 IIAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(OC)cc3)csc21 ZINC000064798933 568960530 /nfs/dbraw/zinc/96/05/30/568960530.db2.gz MHAOVPZGWIIOOH-QGZVFWFLSA-N 0 0 443.546 4.462 50 0 IIAARN COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146491 568962728 /nfs/dbraw/zinc/96/27/28/568962728.db2.gz FJISBFYCMXUTRT-AOYPEHQESA-N 0 0 430.548 4.294 50 0 IIAARN COc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152390 568963476 /nfs/dbraw/zinc/96/34/76/568963476.db2.gz KXSHLXOFFBUYRJ-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccc(F)cc3)nn2c(=O)c1C ZINC000064813915 568963801 /nfs/dbraw/zinc/96/38/01/568963801.db2.gz HPLLBBLJSMYHRH-UHFFFAOYSA-N 0 0 433.487 4.144 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817291 568964482 /nfs/dbraw/zinc/96/44/82/568964482.db2.gz MLXBJFFPJZBJRZ-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1OC ZINC000064818221 568966422 /nfs/dbraw/zinc/96/64/22/568966422.db2.gz CFXSSBUHCAFIND-YRNVUSSQSA-N 0 0 433.508 4.482 50 0 IIAARN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000064819640 568966669 /nfs/dbraw/zinc/96/66/69/568966669.db2.gz FMIPWYNSBHRZHG-MEDUHNTESA-N 0 0 425.287 4.281 50 0 IIAARN COc1ccc(CNC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1OC ZINC000064820237 568966982 /nfs/dbraw/zinc/96/69/82/568966982.db2.gz VGKSMAHOLUMONQ-UHFFFAOYSA-N 0 0 437.315 4.421 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2c(C)onc2-c2ccc(Br)s2)c1 ZINC000064820241 568967011 /nfs/dbraw/zinc/96/70/11/568967011.db2.gz QBYJEILPKQEXEG-UHFFFAOYSA-N 0 0 437.315 4.421 50 0 IIAARN O=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 ZINC000036166782 568967483 /nfs/dbraw/zinc/96/74/83/568967483.db2.gz BFXUXEHPIPBDPN-JOCHJYFZSA-N 0 0 426.444 4.147 50 0 IIAARN O=C(C1CCCC1)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)c(F)c1)C2=O ZINC000036166889 568967674 /nfs/dbraw/zinc/96/76/74/568967674.db2.gz BSZQTYFFPPNVHT-QHCPKHFHSA-N 0 0 428.504 4.430 50 0 IIAARN COc1cccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)C3CC3)C2=O)c1 ZINC000036165788 568968306 /nfs/dbraw/zinc/96/83/06/568968306.db2.gz GWHCGOMTYFRBNF-JOCHJYFZSA-N 0 0 428.941 4.034 50 0 IIAARN COc1ccc(OC)c(NC(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000064839974 568969674 /nfs/dbraw/zinc/96/96/74/568969674.db2.gz BQCYEWNUBPBRRC-UHFFFAOYSA-N 0 0 446.891 4.026 50 0 IIAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)c1 ZINC000064841879 568970398 /nfs/dbraw/zinc/97/03/98/568970398.db2.gz DDXXYQDPSALHPC-UHFFFAOYSA-N 0 0 443.569 4.054 50 0 IIAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000064841624 568970454 /nfs/dbraw/zinc/97/04/54/568970454.db2.gz MPSKBDBPECRUGT-UHFFFAOYSA-N 0 0 427.913 4.406 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842679 568971019 /nfs/dbraw/zinc/97/10/19/568971019.db2.gz CYZWAHWZIVWUKC-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862093 568973871 /nfs/dbraw/zinc/97/38/71/568973871.db2.gz WOYMICIYDIGYFM-UHFFFAOYSA-N 0 0 427.570 4.455 50 0 IIAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000064866445 568974454 /nfs/dbraw/zinc/97/44/54/568974454.db2.gz HKAWVAUYUYFFJY-UHFFFAOYSA-N 0 0 428.510 4.024 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000064866739 568974852 /nfs/dbraw/zinc/97/48/52/568974852.db2.gz ZRFGPJTYSDHAHH-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)NCCCc2ccccc2)=Nc2ccccc2N1 ZINC000064869806 568976488 /nfs/dbraw/zinc/97/64/88/568976488.db2.gz SAZMFIHUNZMBNU-UHFFFAOYSA-N 0 0 437.565 4.461 50 0 IIAARN CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000036216744 568977783 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569145707 /nfs/dbraw/zinc/14/57/07/569145707.db2.gz BXPJKESXLBMCAF-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN C[C@@H](C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)N(C)CC(F)(F)F ZINC000170614554 569146403 /nfs/dbraw/zinc/14/64/03/569146403.db2.gz PBACGFXRMZFZHJ-KRWDZBQOSA-N 0 0 430.474 4.097 50 0 IIAARN CCC(CC)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(C)c1 ZINC000170619410 569147639 /nfs/dbraw/zinc/14/76/39/569147639.db2.gz SJSRGOSXONKWPG-QFIPXVFZSA-N 0 0 427.570 4.480 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(OC[C@H]2CCCO2)c1 ZINC000170621681 569147720 /nfs/dbraw/zinc/14/77/20/569147720.db2.gz AMEQMQYNBNHQSC-RBUKOAKNSA-N 0 0 447.576 4.416 50 0 IIAARN COC(=O)c1nc(NC(=O)c2cc(-c3ccccc3)nn2C)sc1-c1ccccc1OC ZINC000170622260 569148044 /nfs/dbraw/zinc/14/80/44/569148044.db2.gz GVXAWVLPOHJKQT-UHFFFAOYSA-N 0 0 448.504 4.258 50 0 IIAARN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000170629415 569148863 /nfs/dbraw/zinc/14/88/63/569148863.db2.gz BXQKQMOXZPUSJU-ZWKOTPCHSA-N 0 0 429.444 4.196 50 0 IIAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000071011374 569149259 /nfs/dbraw/zinc/14/92/59/569149259.db2.gz HCKCOAWFVRWHAX-UHFFFAOYSA-N 0 0 428.895 4.230 50 0 IIAARN O=C(CNc1ccccc1N1CCCC1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009870336 569149379 /nfs/dbraw/zinc/14/93/79/569149379.db2.gz RNIHLYRGWCLWPI-IBGZPJMESA-N 0 0 434.521 4.258 50 0 IIAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)CC1 ZINC000009870363 569149470 /nfs/dbraw/zinc/14/94/70/569149470.db2.gz ZXTFXGBDBDTGET-UHFFFAOYSA-N 0 0 449.532 4.338 50 0 IIAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCCC1 ZINC000009881985 569149574 /nfs/dbraw/zinc/14/95/74/569149574.db2.gz KQEPSWYWDXFEMA-UHFFFAOYSA-N 0 0 445.608 4.323 50 0 IIAARN Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000009883101 569149848 /nfs/dbraw/zinc/14/98/48/569149848.db2.gz YXIPRRYOQRQVOG-UHFFFAOYSA-N 0 0 433.839 4.040 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009883562 569150065 /nfs/dbraw/zinc/15/00/65/569150065.db2.gz FPNDDJLFKWSDND-CYBMUJFWSA-N 0 0 432.534 4.481 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(NC4CC4)s3)[C@@H](c3ccco3)C2)cc1 ZINC000009884031 569150248 /nfs/dbraw/zinc/15/02/48/569150248.db2.gz LLLFRHPCXWLLFT-QGZVFWFLSA-N 0 0 439.566 4.484 50 0 IIAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(Nc3ccccc3)s2)n1 ZINC000009884062 569150259 /nfs/dbraw/zinc/15/02/59/569150259.db2.gz LHDBMOBLGCYSEJ-UHFFFAOYSA-N 0 0 438.542 4.093 50 0 IIAARN COc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010119429 569152695 /nfs/dbraw/zinc/15/26/95/569152695.db2.gz KQDDQCHSSCTLRO-UHFFFAOYSA-N 0 0 442.924 4.352 50 0 IIAARN COc1ccc(-c2csc3ncnc(N(C)CC(=O)Nc4cccc(OC)c4)c23)cc1 ZINC000010220059 569152826 /nfs/dbraw/zinc/15/28/26/569152826.db2.gz DLQWEXYXULDPDA-UHFFFAOYSA-N 0 0 434.521 4.450 50 0 IIAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000010220716 569153021 /nfs/dbraw/zinc/15/30/21/569153021.db2.gz ZFRWAXVUWKAMTB-UHFFFAOYSA-N 0 0 445.497 4.101 50 0 IIAARN O=C(NCc1ccccc1Cl)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000010220902 569153025 /nfs/dbraw/zinc/15/30/25/569153025.db2.gz DKKHGUZEVFJWHY-UHFFFAOYSA-N 0 0 447.347 4.181 50 0 IIAARN COc1cc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc(OC)c1OC ZINC000010218434 569153485 /nfs/dbraw/zinc/15/34/85/569153485.db2.gz PMTRTMFOIKKBOT-CQSZACIVSA-N 0 0 448.541 4.080 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000010219481 569153719 /nfs/dbraw/zinc/15/37/19/569153719.db2.gz PLQJJDXWRCFHOQ-UHFFFAOYSA-N 0 0 437.517 4.037 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 ZINC000013695683 569156532 /nfs/dbraw/zinc/15/65/32/569156532.db2.gz IWPLDXFEMDQJKY-IBGZPJMESA-N 0 0 435.307 4.079 50 0 IIAARN COc1ccc(-c2nc(COC(=O)[C@@H](C)n3c(=O)oc4ccccc43)cs2)cc1OC ZINC000014165823 569157916 /nfs/dbraw/zinc/15/79/16/569157916.db2.gz KBCYFQSGIXAQNW-CYBMUJFWSA-N 0 0 440.477 4.040 50 0 IIAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000014245156 569158343 /nfs/dbraw/zinc/15/83/43/569158343.db2.gz DTRMGGOOQDCBMQ-UHFFFAOYSA-N 0 0 433.331 4.408 50 0 IIAARN CCc1cccc(CC)c1-n1c(Sc2ncnc3c2cnn3C)nnc1-c1cccnc1 ZINC000014282128 569158492 /nfs/dbraw/zinc/15/84/92/569158492.db2.gz CXKUHLVSUQSVEG-UHFFFAOYSA-N 0 0 442.552 4.282 50 0 IIAARN Cc1cc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)c2cc1C ZINC000014360934 569158841 /nfs/dbraw/zinc/15/88/41/569158841.db2.gz NSWFCTHUSFYZRX-UHFFFAOYSA-N 0 0 448.548 4.117 50 0 IIAARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000037342019 569159375 /nfs/dbraw/zinc/15/93/75/569159375.db2.gz ZUQISCHOROLGSI-ORHBMQHOSA-N 0 0 445.462 4.003 50 0 IIAARN CCOc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000016721729 569160211 /nfs/dbraw/zinc/16/02/11/569160211.db2.gz WCQJRYAHQXLNLH-NQIIRXRSSA-N 0 0 440.540 4.027 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000089677884 569161216 /nfs/dbraw/zinc/16/12/16/569161216.db2.gz UYNXDMQKUADUBD-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN Cc1cccc(C(=O)NCC(=O)Nc2cccc3ccccc32)c1I ZINC000089688792 569161293 /nfs/dbraw/zinc/16/12/93/569161293.db2.gz HSGGJDNRXJFKAY-UHFFFAOYSA-N 0 0 444.272 4.121 50 0 IIAARN O=C(COc1cccc(Br)c1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000089774436 569162595 /nfs/dbraw/zinc/16/25/95/569162595.db2.gz QJTHYBQARSVWBY-RDJZCZTQSA-N 0 0 444.247 4.181 50 0 IIAARN O=c1c(C(F)(F)F)cc(C2CC2)nn1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000089768436 569162565 /nfs/dbraw/zinc/16/25/65/569162565.db2.gz AEKGZSYTQLTHHJ-AREMUKBSSA-N 0 0 425.259 4.254 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016846410 569163926 /nfs/dbraw/zinc/16/39/26/569163926.db2.gz NPVDRGBGSRUZBL-UHFFFAOYSA-N 0 0 441.490 4.019 50 0 IIAARN COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891255 569165667 /nfs/dbraw/zinc/16/56/67/569165667.db2.gz XUSVATLRTSCCDN-NTKDMRAZSA-N 0 0 435.593 4.439 50 0 IIAARN COc1cc(OC)c(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1Cl ZINC000016943068 569166809 /nfs/dbraw/zinc/16/68/09/569166809.db2.gz AEWMOEOYVOHNDP-UHFFFAOYSA-N 0 0 447.875 4.060 50 0 IIAARN COc1ccc(OC)c(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000016944391 569166924 /nfs/dbraw/zinc/16/69/24/569166924.db2.gz NUYYUSIUQWUNIL-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1F ZINC000016955230 569167595 /nfs/dbraw/zinc/16/75/95/569167595.db2.gz QRWKFXYHFKDRSB-UHFFFAOYSA-N 0 0 446.525 4.290 50 0 IIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000089920095 569167780 /nfs/dbraw/zinc/16/77/80/569167780.db2.gz AKPYLPQHALFMJS-NSHDSACASA-N 0 0 431.279 4.079 50 0 IIAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000016993977 569169874 /nfs/dbraw/zinc/16/98/74/569169874.db2.gz SOMDYWCZDLZJNL-UHFFFAOYSA-N 0 0 425.529 4.480 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000089991157 569170100 /nfs/dbraw/zinc/17/01/00/569170100.db2.gz YAQUQXCOXBTVRL-UHFFFAOYSA-N 0 0 426.494 4.147 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4F)ncn3)C[C@@H]2C)cc1 ZINC000037356105 569171647 /nfs/dbraw/zinc/17/16/47/569171647.db2.gz NGXARMKEWVMUFH-INIZCTEOSA-N 0 0 438.478 4.460 50 0 IIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)ncn1 ZINC000037356152 569171805 /nfs/dbraw/zinc/17/18/05/569171805.db2.gz DKPIADOPQQNNRA-UHFFFAOYSA-N 0 0 438.915 4.202 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)ccc2s1 ZINC000017144140 569174643 /nfs/dbraw/zinc/17/46/43/569174643.db2.gz WPFPBZKONZDLCS-CQSZACIVSA-N 0 0 429.567 4.420 50 0 IIAARN Cc1ccc(Nc2nc([C@]3(C)C[C@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000017146445 569174765 /nfs/dbraw/zinc/17/47/65/569174765.db2.gz XRULNHKVZLXAKX-RTFZILSDSA-N 0 0 444.553 4.332 50 0 biogenic IIAARN O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000017169459 569175284 /nfs/dbraw/zinc/17/52/84/569175284.db2.gz FVKOXHHBLFQKAR-UHFFFAOYSA-N 0 0 449.742 4.283 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NC[C@@H]1CCCO1)nc2-c1ccc(Cl)cc1 ZINC000037358466 569176192 /nfs/dbraw/zinc/17/61/92/569176192.db2.gz GHZVQPRQLOYLMN-KRWDZBQOSA-N 0 0 438.894 4.448 50 0 IIAARN COc1ccc(-c2ccc(C(=O)N3CCC(OC4CCOCC4)CC3)c(F)c2)c(F)c1 ZINC000170635214 569176207 /nfs/dbraw/zinc/17/62/07/569176207.db2.gz VWKYPZVKPBCOFN-UHFFFAOYSA-N 0 0 431.479 4.441 50 0 IIAARN CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccccc1OC)N1C(=O)c2ccccc2C1=O ZINC000001062796 569176610 /nfs/dbraw/zinc/17/66/10/569176610.db2.gz VTHBLISNYCRFKX-FQEVSTJZSA-N 0 0 439.471 4.142 50 0 IIAARN [NH3+][C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000095908753 569180014 /nfs/dbraw/zinc/18/00/14/569180014.db2.gz OXFFQNROWDDLTM-OALUTQOASA-N 0 0 442.409 4.102 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccncc1 ZINC000000907580 569180438 /nfs/dbraw/zinc/18/04/38/569180438.db2.gz NLDVEUGIRJVVJG-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000002259180 569180698 /nfs/dbraw/zinc/18/06/98/569180698.db2.gz HVJYZTLFNXGCJK-UHFFFAOYSA-N 0 0 433.331 4.136 50 0 IIAARN Nc1c2c(nn1-c1ccccc1)nc(NCCc1ccccn1)nc2-c1cccc(F)c1F ZINC000037360776 569181605 /nfs/dbraw/zinc/18/16/05/569181605.db2.gz RRYMXENMVCTYBH-UHFFFAOYSA-N 0 0 443.461 4.393 50 0 IIAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC(C)C)CC(=O)N21 ZINC000002108612 569181674 /nfs/dbraw/zinc/18/16/74/569181674.db2.gz SQQHPQJRPCDOMT-NVQXNPDNSA-N 0 0 445.563 4.298 50 0 biogenic IIAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc12 ZINC000002151656 569187302 /nfs/dbraw/zinc/18/73/02/569187302.db2.gz PTECCRZQBLKOLA-KRWDZBQOSA-N 0 0 435.542 4.297 50 0 biogenic IIAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000002152623 569187376 /nfs/dbraw/zinc/18/73/76/569187376.db2.gz PKRVYQHDYRLGPP-UDWIEESQSA-N 0 0 434.517 4.181 50 0 IIAARN CN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037378417 569188600 /nfs/dbraw/zinc/18/86/00/569188600.db2.gz ZJIPCGOWXHPJJL-UHFFFAOYSA-N 0 0 432.543 4.328 50 0 IIAARN CCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208133497 569189099 /nfs/dbraw/zinc/18/90/99/569189099.db2.gz AXSNGHAVDXRFPZ-HFZDXXHNSA-N 0 0 448.567 4.103 50 0 IIAARN COc1ccccc1Cn1c(N)c(C(=O)NC2CCCCC2)c2nc3ccccc3nc21 ZINC000002198545 569191472 /nfs/dbraw/zinc/19/14/72/569191472.db2.gz PJOALGZXRDBFFG-UHFFFAOYSA-N 0 0 429.524 4.286 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000037420122 569195492 /nfs/dbraw/zinc/19/54/92/569195492.db2.gz PXRKLBMFEALJDK-UHFFFAOYSA-N 0 0 434.558 4.181 50 0 IIAARN CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CC1 ZINC000037425233 569195652 /nfs/dbraw/zinc/19/56/52/569195652.db2.gz LYCJTVFDKICPNO-NRFANRHFSA-N 0 0 434.367 4.374 50 0 IIAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000037427876 569195907 /nfs/dbraw/zinc/19/59/07/569195907.db2.gz IFSMZSCBRWMAAO-QPLCGJKRSA-N 0 0 449.576 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ZINC000019646479 569325081 /nfs/dbraw/zinc/32/50/81/569325081.db2.gz UVYUPYAKWOSBFF-UHFFFAOYSA-N 0 0 447.601 4.414 50 0 IIAARN CC(C)CCn1ccc2c1cccc2NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000079190045 569327957 /nfs/dbraw/zinc/32/79/57/569327957.db2.gz ZQRVVLDYTGSQFM-VCOUNFBDSA-N 0 0 428.602 4.352 50 0 biogenic IIAARN CN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(Br)cc4)n3)cc21 ZINC000019796424 569329561 /nfs/dbraw/zinc/32/95/61/569329561.db2.gz QSNHNDIVZWYUDY-UHFFFAOYSA-N 0 0 444.310 4.180 50 0 IIAARN COc1ccc(Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)o2)cc1 ZINC000020069224 569333093 /nfs/dbraw/zinc/33/30/93/569333093.db2.gz GPDUDDMCAOMPBM-UHFFFAOYSA-N 0 0 426.538 4.406 50 0 IIAARN Cc1c(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cnn1-c1ccccc1 ZINC000390829321 569354203 /nfs/dbraw/zinc/35/42/03/569354203.db2.gz DNTGYQXZEMBLNL-UHFFFAOYSA-N 0 0 431.462 4.481 50 0 IIAARN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc2noc(-c3ccccc3)c2c1 ZINC000390830856 569354313 /nfs/dbraw/zinc/35/43/13/569354313.db2.gz 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C[C@H](NC(=O)COC(=O)c1cc(N)cc2ccccc21)c1ccc(Br)cc1 ZINC000095443940 569366898 /nfs/dbraw/zinc/36/68/98/569366898.db2.gz LHTRIDIHSSOUME-ZDUSSCGKSA-N 0 0 427.298 4.219 50 0 IIAARN CCOC(=O)C[C@H](OC(=O)Cc1csc(CC)n1)c1ccc(Br)cc1 ZINC000095444259 569367015 /nfs/dbraw/zinc/36/70/15/569367015.db2.gz CEFXIPNWTVUIMX-HNNXBMFYSA-N 0 0 426.332 4.248 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000095454892 569368410 /nfs/dbraw/zinc/36/84/10/569368410.db2.gz MXASZZPHVRUHCE-FQEVSTJZSA-N 0 0 430.512 4.077 50 0 IIAARN Cc1ccc(OCCn2c(CN(C)S(=O)(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000095464583 569370505 /nfs/dbraw/zinc/37/05/05/569370505.db2.gz QOUYKXNGHSIFQF-UHFFFAOYSA-N 0 0 435.549 4.244 50 0 IIAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095466225 569370786 /nfs/dbraw/zinc/37/07/86/569370786.db2.gz YJOYAXFVCGDODA-MRXNPFEDSA-N 0 0 439.438 4.364 50 0 IIAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095476047 569372870 /nfs/dbraw/zinc/37/28/70/569372870.db2.gz CYAYEADXUPIMPV-HNNXBMFYSA-N 0 0 431.897 4.381 50 0 IIAARN CC(C)c1sc(Br)nc1C(=O)Nc1cccc(C(=O)c2nccn2C)c1 ZINC000095480469 569373919 /nfs/dbraw/zinc/37/39/19/569373919.db2.gz QANFRQSVQOXRHD-UHFFFAOYSA-N 0 0 433.331 4.246 50 0 IIAARN COc1ccc(CSCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000095481676 569374028 /nfs/dbraw/zinc/37/40/28/569374028.db2.gz DDEBDNBCRYLVOP-UHFFFAOYSA-N 0 0 448.342 4.057 50 0 IIAARN Cc1nnc(SCC(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)Cl)cc32)s1 ZINC000095482039 569374153 /nfs/dbraw/zinc/37/41/53/569374153.db2.gz NHUUGDBHIMXYFH-UHFFFAOYSA-N 0 0 446.932 4.255 50 0 IIAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccco3)n2)no1)Nc1ccc(Cl)cc1F ZINC000095481951 569374163 /nfs/dbraw/zinc/37/41/63/569374163.db2.gz ARLCWWTUGZTPIF-UHFFFAOYSA-N 0 0 448.867 4.104 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000095481909 569374250 /nfs/dbraw/zinc/37/42/50/569374250.db2.gz FLEZITKYNJRQOW-UHFFFAOYSA-N 0 0 431.876 4.377 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCCOc2ccccc2)S1 ZINC000020896222 569375155 /nfs/dbraw/zinc/37/51/55/569375155.db2.gz DSQLHSFKURTFIQ-FQEVSTJZSA-N 0 0 447.944 4.189 50 0 IIAARN Cc1cc(C)c2c(c1)CCCN2S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000095944099 569375661 /nfs/dbraw/zinc/37/56/61/569375661.db2.gz MJGKZQXDJCIQRF-UHFFFAOYSA-N 0 0 434.627 4.211 50 0 IIAARN CCc1c(C(=O)OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cnn1C(C)(C)C ZINC000095947496 569376460 /nfs/dbraw/zinc/37/64/60/569376460.db2.gz QITQFTFXOSDGDO-UHFFFAOYSA-N 0 0 447.582 4.085 50 0 IIAARN O=C(NCc1cccs1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948957 569376582 /nfs/dbraw/zinc/37/65/82/569376582.db2.gz GIOMDGKXROJGNQ-UHFFFAOYSA-N 0 0 435.475 4.132 50 0 IIAARN COc1ccccc1-n1c(SCc2nc3c(nccc3C)[nH]2)nnc1N1CCCCC1 ZINC000096010391 569379773 /nfs/dbraw/zinc/37/97/73/569379773.db2.gz SIOANPGDPPVOGR-UHFFFAOYSA-N 0 0 435.557 4.138 50 0 IIAARN CCCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)C1 ZINC000096011878 569379853 /nfs/dbraw/zinc/37/98/53/569379853.db2.gz PIRRZNJGNSDFED-GOTSBHOMSA-N 0 0 433.552 4.002 50 0 IIAARN Cc1cc(Br)cc(C)c1NCc1nccn1CC(=O)NCc1ccccc1 ZINC000096012847 569380153 /nfs/dbraw/zinc/38/01/53/569380153.db2.gz PAUINNHTNXKXQJ-UHFFFAOYSA-N 0 0 427.346 4.191 50 0 IIAARN O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccccc2Br)s1 ZINC000096097194 569381454 /nfs/dbraw/zinc/38/14/54/569381454.db2.gz CNGZBNYKWOAYSY-UHFFFAOYSA-N 0 0 442.381 4.282 50 0 IIAARN O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000096097195 569381462 /nfs/dbraw/zinc/38/14/62/569381462.db2.gz OMZZTUPTXZWLOJ-UHFFFAOYSA-N 0 0 447.481 4.418 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1c2cccn2CC(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000021368138 569381904 /nfs/dbraw/zinc/38/19/04/569381904.db2.gz JNMJINUQILPZAY-GVCORALISA-N 0 0 442.563 4.257 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccc3c(c1)ncn3C)C(=O)OC2 ZINC000096114589 569382916 /nfs/dbraw/zinc/38/29/16/569382916.db2.gz WZNIXEMLQBNPCC-LHHJGKSTSA-N 0 0 449.507 4.174 50 0 biogenic IIAARN Cc1cccc2cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117402 569384133 /nfs/dbraw/zinc/38/41/33/569384133.db2.gz RZMRARGSWYRBCO-DNVCBOLYSA-N 0 0 438.553 4.343 50 0 IIAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117281 569384135 /nfs/dbraw/zinc/38/41/35/569384135.db2.gz PRUWJVJQVNMZJR-BEFAXECRSA-N 0 0 438.553 4.045 50 0 IIAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N(CCc1cccs1)Cc1ccoc1 ZINC000096120666 569384937 /nfs/dbraw/zinc/38/49/37/569384937.db2.gz GPRUPABFNWYOEQ-UHFFFAOYSA-N 0 0 425.478 4.223 50 0 IIAARN O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccccc1Br ZINC000096121506 569384999 /nfs/dbraw/zinc/38/49/99/569384999.db2.gz CMWVVMUPIXKINQ-UHFFFAOYSA-N 0 0 425.330 4.016 50 0 IIAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1cccc2cccnc21 ZINC000096232313 569387763 /nfs/dbraw/zinc/38/77/63/569387763.db2.gz KDNNDZDSQBERAJ-HNNXBMFYSA-N 0 0 441.409 4.367 50 0 IIAARN Cc1cccc(NC(=O)N2CCN(C(=O)/C=C\c3ccccc3OC(F)(F)F)CC2)c1 ZINC000096257384 569387980 /nfs/dbraw/zinc/38/79/80/569387980.db2.gz GMLLLTPWZAXMNB-KTKRTIGZSA-N 0 0 433.430 4.283 50 0 IIAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000096278037 569389001 /nfs/dbraw/zinc/38/90/01/569389001.db2.gz QKQNEOSFBDSVHW-HXUWFJFHSA-N 0 0 427.460 4.488 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000096279490 569389480 /nfs/dbraw/zinc/38/94/80/569389480.db2.gz CFEFGISALMHPFX-FQEVSTJZSA-N 0 0 439.487 4.476 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1cccc(F)c1 ZINC000096281155 569389845 /nfs/dbraw/zinc/38/98/45/569389845.db2.gz NMRSTFDTOKKFJS-UPVQGACJSA-N 0 0 426.532 4.392 50 0 IIAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)N3CCOCC3)nnc2C(C)C)c1 ZINC000096288760 569390580 /nfs/dbraw/zinc/39/05/80/569390580.db2.gz ZEFCQWRNBLLGBB-UHFFFAOYSA-N 0 0 436.581 4.464 50 0 IIAARN C[C@H](C(=O)N1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290490 569390943 /nfs/dbraw/zinc/39/09/43/569390943.db2.gz AAYSHWBFQLQCFQ-CYBMUJFWSA-N 0 0 436.314 4.493 50 0 IIAARN CC(C)Cn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000096310639 569392616 /nfs/dbraw/zinc/39/26/16/569392616.db2.gz LXZAWNGRSYLRSO-CQSZACIVSA-N 0 0 436.940 4.058 50 0 IIAARN CCOc1cc(/C=C\C(=O)N[C@H](c2nnc3ccccn32)C(C)C)cc(Cl)c1OC ZINC000096315895 569392782 /nfs/dbraw/zinc/39/27/82/569392782.db2.gz CMAXKDHNHNVOJP-QJRAZLAKSA-N 0 0 428.920 4.317 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4cccc(F)c4)no3)ccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000096320218 569394075 /nfs/dbraw/zinc/39/40/75/569394075.db2.gz KEZOZLWPYMHZLH-UHFFFAOYSA-N 0 0 448.841 4.248 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1 ZINC000096322831 569394950 /nfs/dbraw/zinc/39/49/50/569394950.db2.gz SEWXKASQRJTCGW-UHFFFAOYSA-N 0 0 437.297 4.334 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2OC)cc1 ZINC000096324505 569395990 /nfs/dbraw/zinc/39/59/90/569395990.db2.gz FWRDNIIPTGDZFZ-UHFFFAOYSA-N 0 0 438.553 4.142 50 0 IIAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000096324528 569395995 /nfs/dbraw/zinc/39/59/95/569395995.db2.gz LADIMWIGRPWZGY-UHFFFAOYSA-N 0 0 446.532 4.435 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C)c(C)c1)C3 ZINC000096326900 569396264 /nfs/dbraw/zinc/39/62/64/569396264.db2.gz XYDNKEZHFGMUBL-UHFFFAOYSA-N 0 0 425.916 4.216 50 0 IIAARN Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccsc4)sc3C2)cc1Cl ZINC000096334115 569396524 /nfs/dbraw/zinc/39/65/24/569396524.db2.gz FFXWRWZVYMQQBC-UHFFFAOYSA-N 0 0 446.985 4.416 50 0 IIAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000096335776 569396674 /nfs/dbraw/zinc/39/66/74/569396674.db2.gz OIMVMGRDEPWTSI-FPOVZHCZSA-N 0 0 426.852 4.247 50 0 IIAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 ZINC000096376268 569398131 /nfs/dbraw/zinc/39/81/31/569398131.db2.gz MJUDXNSFEILOAC-UHFFFAOYSA-N 0 0 433.526 4.128 50 0 IIAARN Cc1oc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1C(=O)N1CCCC1 ZINC000096396880 569399206 /nfs/dbraw/zinc/39/92/06/569399206.db2.gz DAUSTAUPYCFMIO-UHFFFAOYSA-N 0 0 435.446 4.258 50 0 IIAARN CCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2ccc(OC)cc21 ZINC000096398655 569399777 /nfs/dbraw/zinc/39/97/77/569399777.db2.gz QECOWJQRSCNQON-UHFFFAOYSA-N 0 0 440.301 4.470 50 0 IIAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000096399045 569399785 /nfs/dbraw/zinc/39/97/85/569399785.db2.gz WPUAVMFOGYNBPQ-KRWDZBQOSA-N 0 0 427.570 4.244 50 0 IIAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)sc2c1 ZINC000096399482 569399991 /nfs/dbraw/zinc/39/99/91/569399991.db2.gz AOTHQGDFBVPZND-UHFFFAOYSA-N 0 0 427.960 4.052 50 0 IIAARN CCCS(=O)(=O)c1nc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2s1 ZINC000096399668 569400212 /nfs/dbraw/zinc/40/02/12/569400212.db2.gz QGFUPPOUJJYNBB-UHFFFAOYSA-N 0 0 435.527 4.141 50 0 IIAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000096405048 569400642 /nfs/dbraw/zinc/40/06/42/569400642.db2.gz BMICZIJNHCHFBO-HMWXGYMHSA-N 0 0 427.497 4.419 50 0 IIAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000002487181 569405176 /nfs/dbraw/zinc/40/51/76/569405176.db2.gz LKNHXQBFTRHBDR-PKOBYXMFSA-N 0 0 432.542 4.086 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000002503517 569406035 /nfs/dbraw/zinc/40/60/35/569406035.db2.gz OFFPANZCYZFRBA-OAQYLSRUSA-N 0 0 446.569 4.333 50 0 IIAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225705590 569407312 /nfs/dbraw/zinc/40/73/12/569407312.db2.gz RJTLAPJQOIQAPE-UHFFFAOYSA-N 0 0 430.483 4.458 50 0 IIAARN O=C(CSc1nc2ccccc2s1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225729049 569407574 /nfs/dbraw/zinc/40/75/74/569407574.db2.gz VLIZXCHMTGVYHP-CYBMUJFWSA-N 0 0 439.484 4.482 50 0 IIAARN O=C(Nc1sc2nc(=O)c(Cc3ccccc3)nn2c1-c1ccccc1)c1ccco1 ZINC000028294724 569409658 /nfs/dbraw/zinc/40/96/58/569409658.db2.gz ZWITYFGDAXIHBJ-UHFFFAOYSA-N 0 0 428.473 4.254 50 0 IIAARN Nc1cccc(CNC(=O)/C(=C/c2ccccc2C(F)(F)F)NC(=O)c2ccccc2)c1 ZINC000215671563 569410591 /nfs/dbraw/zinc/41/05/91/569410591.db2.gz CNITZRSBRODAGU-STZFKDTASA-N 0 0 439.437 4.375 50 0 IIAARN Cc1cc(C)cc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002658120 569415628 /nfs/dbraw/zinc/41/56/28/569415628.db2.gz WFXPAJIMOAVDTO-UHFFFAOYSA-N 0 0 446.956 4.452 50 0 IIAARN Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1 ZINC000002658769 569415810 /nfs/dbraw/zinc/41/58/10/569415810.db2.gz DIZMBFDLFWUXLL-ZDUSSCGKSA-N 0 0 428.539 4.116 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc4nc5c(cc4c3N)C[C@@H](C)CC5)CC2)cc1 ZINC000215756305 569415901 /nfs/dbraw/zinc/41/59/01/569415901.db2.gz XMXLOEKKRBREEP-HNNXBMFYSA-N 0 0 448.592 4.168 50 0 IIAARN Cc1nc(COc2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cs1 ZINC000028646977 569416656 /nfs/dbraw/zinc/41/66/56/569416656.db2.gz LSJDZSQRRXJCQN-UHFFFAOYSA-N 0 0 434.521 4.081 50 0 IIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000002689859 569416841 /nfs/dbraw/zinc/41/68/41/569416841.db2.gz GWLTVAQFLFLMNP-UHFFFAOYSA-N 0 0 430.435 4.019 50 0 IIAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(F)c(F)c1 ZINC000002689863 569416842 /nfs/dbraw/zinc/41/68/42/569416842.db2.gz LASJGJRUFNXTNP-UHFFFAOYSA-N 0 0 448.425 4.158 50 0 IIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687923 569416848 /nfs/dbraw/zinc/41/68/48/569416848.db2.gz AARQOLZYQQKTON-UHFFFAOYSA-N 0 0 449.528 4.290 50 0 IIAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)cc(S(=O)(=O)c1ccccc1)c2=O ZINC000002691086 569416961 /nfs/dbraw/zinc/41/69/61/569416961.db2.gz CPRCLWCBFICWRO-UHFFFAOYSA-N 0 0 449.528 4.208 50 0 IIAARN COc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002691266 569416983 /nfs/dbraw/zinc/41/69/83/569416983.db2.gz DSBAJITVNSERJY-UHFFFAOYSA-N 0 0 447.462 4.446 50 0 IIAARN CCOC(=O)[C@@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 ZINC000002706202 569417628 /nfs/dbraw/zinc/41/76/28/569417628.db2.gz CSUAKGKCLCYPKH-OAHLLOKOSA-N 0 0 449.989 4.437 50 0 IIAARN COc1ccccc1NC(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2 ZINC000002713168 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COc1ccc(-n2nnnc2S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000003531139 569453438 /nfs/dbraw/zinc/45/34/38/569453438.db2.gz DLQQAZKAOSOUDT-HXUWFJFHSA-N 0 0 435.484 4.282 50 0 IIAARN COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000003550187 569453746 /nfs/dbraw/zinc/45/37/46/569453746.db2.gz IAMOGSBVDBXZSG-SANMLTNESA-N 0 0 428.488 4.088 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)c2cc(C)n(C)c2C)n1Cc1ccccc1)N(C)C ZINC000003552693 569453852 /nfs/dbraw/zinc/45/38/52/569453852.db2.gz NUMWFLKEBZBLIH-HXUWFJFHSA-N 0 0 425.602 4.269 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000003563458 569454099 /nfs/dbraw/zinc/45/40/99/569454099.db2.gz LKLGDHHFCYYJCT-UHFFFAOYSA-N 0 0 431.920 4.283 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c1 ZINC000003607212 569454934 /nfs/dbraw/zinc/45/49/34/569454934.db2.gz NKSZNROSUYYFCT-UHFFFAOYSA-N 0 0 425.462 4.052 50 0 IIAARN O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003613067 569455008 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0 0 427.548 4.271 50 0 IIAARN Cc1onc(-c2ccccc2)c1-c1nnc(Cn2cnc3c4ccccc4oc3c2=O)o1 ZINC000031744412 569457156 /nfs/dbraw/zinc/45/71/56/569457156.db2.gz RZONHOSTPSUOJP-UHFFFAOYSA-N 0 0 425.404 4.204 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000003960044 569457226 /nfs/dbraw/zinc/45/72/26/569457226.db2.gz PTMGJKZGXBNJSK-UHFFFAOYSA-N 0 0 436.508 4.439 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc(Cl)c1Cl ZINC000031815064 569457956 /nfs/dbraw/zinc/45/79/56/569457956.db2.gz ZVAOUBBYUXRLEC-CYBMUJFWSA-N 0 0 436.686 4.427 50 0 IIAARN CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032072299 569459300 /nfs/dbraw/zinc/45/93/00/569459300.db2.gz YNVUBLBDUUIWDJ-NRFANRHFSA-N 0 0 427.291 4.492 50 0 IIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cc(Br)ccc2F)nn1 ZINC000032088179 569459489 /nfs/dbraw/zinc/45/94/89/569459489.db2.gz ZYROJIIHDLHOAB-GFCCVEGCSA-N 0 0 432.253 4.005 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000004208110 569460945 /nfs/dbraw/zinc/46/09/45/569460945.db2.gz DZEUPSZTHMPXLG-SFHVURJKSA-N 0 0 430.810 4.012 50 0 IIAARN NC(=O)CSc1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)s1 ZINC000032327056 569461278 /nfs/dbraw/zinc/46/12/78/569461278.db2.gz AHRUMONSYJWQIK-UHFFFAOYSA-N 0 0 429.017 4.109 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000038486959 569462847 /nfs/dbraw/zinc/46/28/47/569462847.db2.gz ZXNFVWVVVWJJMM-UHFFFAOYSA-N 0 0 444.520 4.174 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236395 569465438 /nfs/dbraw/zinc/46/54/38/569465438.db2.gz DNFRKWBVQYLNHZ-UHFFFAOYSA-N 0 0 428.901 4.059 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1Cl ZINC000067237694 569465553 /nfs/dbraw/zinc/46/55/53/569465553.db2.gz CPDSLYIFAJSLQV-UHFFFAOYSA-N 0 0 434.949 4.082 50 0 IIAARN Nc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnn1Cc1cccc(Cl)c1 ZINC000067240105 569465680 /nfs/dbraw/zinc/46/56/80/569465680.db2.gz WXNDKMWAOZAOCV-UHFFFAOYSA-N 0 0 430.217 4.487 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1 ZINC000067245176 569465822 /nfs/dbraw/zinc/46/58/22/569465822.db2.gz ZYKFEJKTEKYECQ-UHFFFAOYSA-N 0 0 442.522 4.084 50 0 IIAARN Cc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067245598 569465907 /nfs/dbraw/zinc/46/59/07/569465907.db2.gz KPFSEXXPRQJRSW-UHFFFAOYSA-N 0 0 434.970 4.465 50 0 IIAARN COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000067259399 569466237 /nfs/dbraw/zinc/46/62/37/569466237.db2.gz CEGXXKNSWPONNP-UHFFFAOYSA-N 0 0 432.501 4.474 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(F)cc5F)c(=O)n4ccn3n2)cc1 ZINC000067260546 569466381 /nfs/dbraw/zinc/46/63/81/569466381.db2.gz QMFSHSPWCFQNCH-UHFFFAOYSA-N 0 0 449.461 4.316 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCCc4ccc(Cl)cc4)ccn3n2)cc1C ZINC000067260918 569466395 /nfs/dbraw/zinc/46/63/95/569466395.db2.gz RWWQGDQPYJKCLC-UHFFFAOYSA-N 0 0 448.954 4.182 50 0 IIAARN O=S(=O)(c1nnn2c1nc(NCCC1=CCCCC1)c1ccccc12)c1ccccc1 ZINC000067261312 569466491 /nfs/dbraw/zinc/46/64/91/569466491.db2.gz JCFMVDBQMLSMKT-UHFFFAOYSA-N 0 0 433.537 4.413 50 0 IIAARN C[C@H](Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21)c1ccc(F)cc1 ZINC000067261347 569466504 /nfs/dbraw/zinc/46/65/04/569466504.db2.gz NMRJJCNDZSYQCB-HNNXBMFYSA-N 0 0 447.495 4.423 50 0 IIAARN CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261699 569466600 /nfs/dbraw/zinc/46/66/00/569466600.db2.gz WRGONLDLMCAYGS-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN COc1cccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2ccncc2)c1 ZINC000067261773 569466660 /nfs/dbraw/zinc/46/66/60/569466660.db2.gz FKUQGYJPSPBLLP-UHFFFAOYSA-N 0 0 437.862 4.060 50 0 IIAARN CCc1ccc(-n2c(=O)nc3nc(NCc4ccccc4C(F)(F)F)[nH]cc-3c2=O)cc1 ZINC000067263584 569466672 /nfs/dbraw/zinc/46/66/72/569466672.db2.gz BJTYFNVCZYULHU-UHFFFAOYSA-N 0 0 441.413 4.075 50 0 IIAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccc(F)cc2)CC1)N1CCCCC1 ZINC000067288166 569467420 /nfs/dbraw/zinc/46/74/20/569467420.db2.gz QUCQWFTVASKBEQ-UHFFFAOYSA-N 0 0 436.506 4.466 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)c3)n2)c1 ZINC000067289495 569467477 /nfs/dbraw/zinc/46/74/77/569467477.db2.gz CCLVPNJLKHPCSF-UHFFFAOYSA-N 0 0 428.492 4.438 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)c1 ZINC000067295866 569467972 /nfs/dbraw/zinc/46/79/72/569467972.db2.gz UJNNKUBPCIWFIM-GFMRDNFCSA-N 0 0 435.461 4.169 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)Nc3cc(Cl)ccc3C)c2c(=O)n1CC(C)C ZINC000067319956 569468552 /nfs/dbraw/zinc/46/85/52/569468552.db2.gz KIDIFFFARXCRNZ-UHFFFAOYSA-N 0 0 432.977 4.485 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000067322157 569468681 /nfs/dbraw/zinc/46/86/81/569468681.db2.gz IZHOEDIFOMCPPJ-UHFFFAOYSA-N 0 0 441.919 4.065 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000067323063 569468707 /nfs/dbraw/zinc/46/87/07/569468707.db2.gz KEAXLPMOWUDDQE-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1c(C)cccc1C ZINC000067323597 569468795 /nfs/dbraw/zinc/46/87/95/569468795.db2.gz WOVGDIASBDZWMY-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334527 569468829 /nfs/dbraw/zinc/46/88/29/569468829.db2.gz KEHBTBFVVZOCQW-UHFFFAOYSA-N 0 0 428.851 4.150 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000008707323 569470562 /nfs/dbraw/zinc/47/05/62/569470562.db2.gz DRRDXBHFBVZYCT-IBGZPJMESA-N 0 0 440.714 4.443 50 0 IIAARN CCn1c(SCC(=O)NCc2ccc(-c3csc(C)n3)s2)nnc1-c1ccco1 ZINC000008708333 569470686 /nfs/dbraw/zinc/47/06/86/569470686.db2.gz CGLHEFYLYYVXEB-UHFFFAOYSA-N 0 0 445.595 4.460 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008718687 569471303 /nfs/dbraw/zinc/47/13/03/569471303.db2.gz GNXRLTTUSDTAQB-IBGZPJMESA-N 0 0 437.565 4.253 50 0 IIAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nnnn3-c3ccccc3)nc(=O)c12 ZINC000008719036 569471375 /nfs/dbraw/zinc/47/13/75/569471375.db2.gz SWGACGFNQNCQCQ-LBPRGKRZSA-N 0 0 426.571 4.150 50 0 IIAARN CNC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000008720443 569471550 /nfs/dbraw/zinc/47/15/50/569471550.db2.gz YVPHXLLACHBPOI-UHFFFAOYSA-N 0 0 443.532 4.464 50 0 IIAARN COc1ccc(-c2noc(CCCCCNC(=O)c3c[nH]nc3-c3ccc(F)cc3)n2)cc1 ZINC000008725462 569472151 /nfs/dbraw/zinc/47/21/51/569472151.db2.gz TUPIALRNMBASBH-UHFFFAOYSA-N 0 0 449.486 4.417 50 0 IIAARN COc1ccc(Cc2nnc3n2NC(C2c4ccccc4N=C2C)=C(C)S3)cc1OC ZINC000008745065 569473001 /nfs/dbraw/zinc/47/30/01/569473001.db2.gz XDFSOAPYXFRFRD-MOHKDSSBSA-N 0 0 433.537 4.441 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000008747946 569473138 /nfs/dbraw/zinc/47/31/38/569473138.db2.gz SFPZIPHJTQSSSL-UHFFFAOYSA-N 0 0 444.915 4.081 50 0 IIAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc(-n2cnnn2)cc1 ZINC000008753748 569473736 /nfs/dbraw/zinc/47/37/36/569473736.db2.gz VRPCSYISGSCVFZ-UHFFFAOYSA-N 0 0 431.308 4.269 50 0 IIAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1)N1CCCC1 ZINC000008766863 569474880 /nfs/dbraw/zinc/47/48/80/569474880.db2.gz MYAUFPNCIUSVKD-KNQAVFIVSA-N 0 0 449.576 4.031 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)n2C)c1 ZINC000008770819 569475162 /nfs/dbraw/zinc/47/51/62/569475162.db2.gz HDPBHTUYSJMIFO-UHFFFAOYSA-N 0 0 448.552 4.024 50 0 IIAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000008775326 569475355 /nfs/dbraw/zinc/47/53/55/569475355.db2.gz XKTSOAMTRZGRSE-UHFFFAOYSA-N 0 0 444.531 4.222 50 0 IIAARN Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000008778688 569475544 /nfs/dbraw/zinc/47/55/44/569475544.db2.gz NDNAPEIXOKYZKN-IBGZPJMESA-N 0 0 444.442 4.047 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCc4cccc(OC)c4)ccc32)cc1 ZINC000008790077 569475984 /nfs/dbraw/zinc/47/59/84/569475984.db2.gz IBLXTXUTHBQZFL-UHFFFAOYSA-N 0 0 445.471 4.172 50 0 biogenic IIAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1 ZINC000008791535 569476251 /nfs/dbraw/zinc/47/62/51/569476251.db2.gz PRKQWZSBDNHLAL-UHFFFAOYSA-N 0 0 434.492 4.345 50 0 biogenic IIAARN O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2c(c1)OCO2 ZINC000008824939 569477290 /nfs/dbraw/zinc/47/72/90/569477290.db2.gz PDAZKMALISCLCU-UHFFFAOYSA-N 0 0 433.338 4.490 50 0 IIAARN COc1cc(OC)cc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000008836535 569478087 /nfs/dbraw/zinc/47/80/87/569478087.db2.gz ZFSQRBAKKYUTOJ-UHFFFAOYSA-N 0 0 434.496 4.376 50 0 IIAARN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843879 569478532 /nfs/dbraw/zinc/47/85/32/569478532.db2.gz VGDMKDNWFPXQBX-SFHVURJKSA-N 0 0 446.370 4.279 50 0 IIAARN Cc1cc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2c2ccccc12 ZINC000008845901 569478892 /nfs/dbraw/zinc/47/88/92/569478892.db2.gz RLZCEEJFZGCTBV-UHFFFAOYSA-N 0 0 434.521 4.487 50 0 IIAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846048 569479019 /nfs/dbraw/zinc/47/90/19/569479019.db2.gz LYZYSEPSFFVGQT-QFIPXVFZSA-N 0 0 428.444 4.038 50 0 IIAARN O=c1c2ccccc2nc(SCc2cc(Cl)c3c(c2)OCCO3)n1C[C@H]1CCCO1 ZINC000008852283 569479432 /nfs/dbraw/zinc/47/94/32/569479432.db2.gz JVRACOLHWXEPPM-OAHLLOKOSA-N 0 0 444.940 4.292 50 0 IIAARN O=C(CSc1nc(CC(=O)NCc2cccs2)cs1)Nc1ccc(Cl)cc1 ZINC000008852391 569479446 /nfs/dbraw/zinc/47/94/46/569479446.db2.gz SGZFNILCJCSBDE-UHFFFAOYSA-N 0 0 437.999 4.448 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852907 569479491 /nfs/dbraw/zinc/47/94/91/569479491.db2.gz ZAXDDWFXWDPMOD-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN COc1ccc(CNC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)cc1 ZINC000008853643 569479549 /nfs/dbraw/zinc/47/95/49/569479549.db2.gz ZDNDJOHWXFZUEE-UHFFFAOYSA-N 0 0 444.578 4.320 50 0 IIAARN Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(OC(F)(F)Cl)cc3)nc21 ZINC000008855069 569479686 /nfs/dbraw/zinc/47/96/86/569479686.db2.gz UFMCLTBNTYSIDN-UHFFFAOYSA-N 0 0 449.870 4.415 50 0 IIAARN CCC(=O)Nc1nc(-c2cccc(N(C(=O)CC)S(=O)(=O)c3ccccc3)c2)cs1 ZINC000008861619 569480016 /nfs/dbraw/zinc/48/00/16/569480016.db2.gz OZKWFAORNTUDGF-UHFFFAOYSA-N 0 0 443.550 4.291 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(N)=O)nnc2-c2ccccc2)cc1 ZINC000008862062 569480103 /nfs/dbraw/zinc/48/01/03/569480103.db2.gz NOSVEZBJGNKIFF-UHFFFAOYSA-N 0 0 443.532 4.072 50 0 IIAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(OC)cc2)cc1OCCC ZINC000008867922 569480296 /nfs/dbraw/zinc/48/02/96/569480296.db2.gz COLHIFREQCUIKX-UHFFFAOYSA-N 0 0 441.484 4.340 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3nnc(C4CCCCC4)s3)n2C)c1 ZINC000008877106 569481177 /nfs/dbraw/zinc/48/11/77/569481177.db2.gz XKZJBCBXSGQMAZ-UHFFFAOYSA-N 0 0 428.587 4.421 50 0 IIAARN COCCN(Cc1cccs1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000039535719 569481660 /nfs/dbraw/zinc/48/16/60/569481660.db2.gz HKAJUVHGMRMUDX-UHFFFAOYSA-N 0 0 432.567 4.107 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc32)C1 ZINC000039546875 569481698 /nfs/dbraw/zinc/48/16/98/569481698.db2.gz VAMQQEOCWYBCRQ-OAHLLOKOSA-N 0 0 441.578 4.252 50 0 IIAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)NC(=O)NCc1ccccc1 ZINC000008883635 569483028 /nfs/dbraw/zinc/48/30/28/569483028.db2.gz UXZDWNCVHOXNHU-JOCHJYFZSA-N 0 0 434.517 4.089 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCCc1ccccc1 ZINC000008883893 569483100 /nfs/dbraw/zinc/48/31/00/569483100.db2.gz QYMRKQVVZYAKFD-UHFFFAOYSA-N 0 0 443.576 4.230 50 0 IIAARN O=S(=O)(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000008899120 569484046 /nfs/dbraw/zinc/48/40/46/569484046.db2.gz HLZJJNYMLZBNKH-HXUWFJFHSA-N 0 0 434.517 4.050 50 0 IIAARN Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4cc(Cl)cc(Cl)c4)s3)nc2n1 ZINC000040050530 569484226 /nfs/dbraw/zinc/48/42/26/569484226.db2.gz WGMQNMCSKMUHCK-UHFFFAOYSA-N 0 0 433.324 4.348 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008901681 569484341 /nfs/dbraw/zinc/48/43/41/569484341.db2.gz KGSNDEUBDPLTMC-QGZVFWFLSA-N 0 0 429.007 4.306 50 0 IIAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058303 569484669 /nfs/dbraw/zinc/48/46/69/569484669.db2.gz NEOOZSVWXVEXKB-SFHVURJKSA-N 0 0 449.580 4.224 50 0 IIAARN Cc1noc(C)c1CCNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008912135 569484978 /nfs/dbraw/zinc/48/49/78/569484978.db2.gz ZIBSEQSHEOCTMA-UHFFFAOYSA-N 0 0 449.580 4.250 50 0 IIAARN COCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1 ZINC000008913569 569485360 /nfs/dbraw/zinc/48/53/60/569485360.db2.gz MQRUCGLHJRCMAR-UHFFFAOYSA-N 0 0 446.576 4.457 50 0 IIAARN CCCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008915755 569485615 /nfs/dbraw/zinc/48/56/15/569485615.db2.gz WAUIGEVFFFDNRS-NRFANRHFSA-N 0 0 445.581 4.094 50 0 IIAARN C[C@@H]1C[C@H](N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070973 569485686 /nfs/dbraw/zinc/48/56/86/569485686.db2.gz AFRUHYVZOYCPDW-NQIIRXRSSA-N 0 0 432.630 4.293 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000008916745 569485793 /nfs/dbraw/zinc/48/57/93/569485793.db2.gz NEDVURPWWBZHPJ-UHFFFAOYSA-N 0 0 433.869 4.448 50 0 IIAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000040072773 569486007 /nfs/dbraw/zinc/48/60/07/569486007.db2.gz OCTOIFBYMXMBBD-CYBMUJFWSA-N 0 0 425.872 4.136 50 0 IIAARN CCN(C(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1nc2ccccc2s1 ZINC000040072810 569486054 /nfs/dbraw/zinc/48/60/54/569486054.db2.gz APNQBJNSXQQEOR-UHFFFAOYSA-N 0 0 449.536 4.210 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(Cl)cc12 ZINC000008918148 569486201 /nfs/dbraw/zinc/48/62/01/569486201.db2.gz PFSKGLGIQLSKPU-XDHUDOTRSA-N 0 0 447.959 4.321 50 0 biogenic IIAARN CC(C)(C)c1nc2cc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc2o1 ZINC000040081639 569486585 /nfs/dbraw/zinc/48/65/85/569486585.db2.gz HBWLNTXVPBTMLG-UHFFFAOYSA-N 0 0 427.526 4.090 50 0 IIAARN O=C(CCCCCC(=O)Oc1ccc2ccc(=O)oc2c1)Oc1ccc2ccc(=O)oc2c1 ZINC000008932117 569487620 /nfs/dbraw/zinc/48/76/20/569487620.db2.gz SBBIPVRHAPGGRB-UHFFFAOYSA-N 0 0 448.427 4.361 50 0 biogenic IIAARN C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933487 569487791 /nfs/dbraw/zinc/48/77/91/569487791.db2.gz JATFMSFSBHAELU-VGOFRKELSA-N 0 0 446.526 4.234 50 0 IIAARN CCc1cccc2c(C3=NN=C(Nc4c(C)n(C)n(-c5ccccc5)c4=O)SC3)c[nH]c21 ZINC000008943599 569488790 /nfs/dbraw/zinc/48/87/90/569488790.db2.gz NRNBAZPTGRSGAR-UHFFFAOYSA-N 0 0 444.564 4.447 50 0 IIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008945037 569489017 /nfs/dbraw/zinc/48/90/17/569489017.db2.gz QHOPQLKMXPJACK-QFBILLFUSA-N 0 0 437.565 4.424 50 0 IIAARN CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@H](C)c1cccc(OC)c1 ZINC000040122950 569489712 /nfs/dbraw/zinc/48/97/12/569489712.db2.gz CEIGBZMMHFDYRU-OAHLLOKOSA-N 0 0 428.533 4.199 50 0 IIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000040129114 569489786 /nfs/dbraw/zinc/48/97/86/569489786.db2.gz CPRNJIINQDKUDP-UHFFFAOYSA-N 0 0 428.535 4.395 50 0 IIAARN COc1cccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3nc(C)sc32)c1 ZINC000008955953 569490152 /nfs/dbraw/zinc/49/01/52/569490152.db2.gz SVALCKVNKPMTFK-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN COc1ccccc1OCc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)o1 ZINC000040130335 569490240 /nfs/dbraw/zinc/49/02/40/569490240.db2.gz SEVGQVIBAFXMBB-UHFFFAOYSA-N 0 0 447.491 4.155 50 0 IIAARN CCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)ccc1=O ZINC000040139123 569490812 /nfs/dbraw/zinc/49/08/12/569490812.db2.gz YRHOUEQJTKJZPS-UHFFFAOYSA-N 0 0 440.422 4.271 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965180 569491311 /nfs/dbraw/zinc/49/13/11/569491311.db2.gz WONQKLWLRADYHQ-QGZVFWFLSA-N 0 0 428.492 4.206 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)N1CCCC1 ZINC000008965660 569491516 /nfs/dbraw/zinc/49/15/16/569491516.db2.gz YSFMXKFRUROBCS-HNNXBMFYSA-N 0 0 427.957 4.201 50 0 IIAARN CCCCCc1nnc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)s1 ZINC000040140561 569491611 /nfs/dbraw/zinc/49/16/11/569491611.db2.gz RVDSMUHQUDLIOW-UHFFFAOYSA-N 0 0 429.567 4.497 50 0 IIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000008966317 569491706 /nfs/dbraw/zinc/49/17/06/569491706.db2.gz UCLNLXGNXIAMMY-IPQOISQHSA-N 0 0 446.334 4.276 50 0 IIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000040142543 569491915 /nfs/dbraw/zinc/49/19/15/569491915.db2.gz VNAXMTYOJZOYSZ-QGZVFWFLSA-N 0 0 433.346 4.300 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1OC ZINC000008969453 569491930 /nfs/dbraw/zinc/49/19/30/569491930.db2.gz FBKMHJSXXAENMW-QFIPXVFZSA-N 0 0 437.492 4.171 50 0 IIAARN Cc1cccc(Cn2c(SCc3ccc4ccccc4c3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000008969745 569491961 /nfs/dbraw/zinc/49/19/61/569491961.db2.gz YDVDQCZDHGZFCK-UHFFFAOYSA-N 0 0 442.544 4.226 50 0 IIAARN C[C@H](Oc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)cn1)c1ccccc1 ZINC000040145103 569492095 /nfs/dbraw/zinc/49/20/95/569492095.db2.gz QKOOAHWKNAZSCN-SFHVURJKSA-N 0 0 427.508 4.284 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)nc1 ZINC000040145912 569492227 /nfs/dbraw/zinc/49/22/27/569492227.db2.gz SRWQTBZASOTLOI-UHFFFAOYSA-N 0 0 448.548 4.195 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(Nc3ccccc3)cc2)n(C)c1 ZINC000040153311 569493541 /nfs/dbraw/zinc/49/35/41/569493541.db2.gz ITAHQJQDPAWKDD-UHFFFAOYSA-N 0 0 427.526 4.018 50 0 IIAARN Cc1csc(N(Cn2nc(-c3ccc4c(c3)OCO4)oc2=S)CC(F)(F)F)n1 ZINC000040158188 569494511 /nfs/dbraw/zinc/49/45/11/569494511.db2.gz OQJSTQHPXFIEEN-UHFFFAOYSA-N 0 0 430.433 4.393 50 0 IIAARN COc1ccc(CCNC(=O)COc2ccc3ccccc3c2Br)cc1OC ZINC000008987571 569494863 /nfs/dbraw/zinc/49/48/63/569494863.db2.gz CZPNTUYBCLGXIA-UHFFFAOYSA-N 0 0 444.325 4.357 50 0 IIAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc5C4)c3)ccc2o1 ZINC000008986950 569494900 /nfs/dbraw/zinc/49/49/00/569494900.db2.gz HUNPZFIIJHZKKN-UHFFFAOYSA-N 0 0 447.516 4.136 50 0 IIAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccco4)ccc3c2=O)cc1 ZINC000008991685 569495311 /nfs/dbraw/zinc/49/53/11/569495311.db2.gz VZYYOVBZDHDQSG-UHFFFAOYSA-N 0 0 435.432 4.191 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008994044 569495462 /nfs/dbraw/zinc/49/54/62/569495462.db2.gz SFZIXTLHYWGJPD-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000008995557 569495655 /nfs/dbraw/zinc/49/56/55/569495655.db2.gz BZWHKMFDGOSAIP-YJBOKZPZSA-N 0 0 438.789 4.158 50 0 biogenic IIAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](/C=C/c2ccccc2)OCC3)c(=O)n(C)c1=O ZINC000008995947 569495699 /nfs/dbraw/zinc/49/56/99/569495699.db2.gz GCZUVNBUYOCSSA-CWRQFWGNSA-N 0 0 447.922 4.144 50 0 IIAARN CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 ZINC000009019793 569496909 /nfs/dbraw/zinc/49/69/09/569496909.db2.gz DXDGDJGLENKITM-UHFFFAOYSA-N 0 0 446.623 4.429 50 0 IIAARN COc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc(OC)c1OC ZINC000009038255 569497407 /nfs/dbraw/zinc/49/74/07/569497407.db2.gz NLQQDRURPKORNS-UHFFFAOYSA-N 0 0 446.503 4.163 50 0 IIAARN COc1ccc(CCNC(=O)CCn2ccc3c2cccc3Br)cc1OC ZINC000040268874 569497505 /nfs/dbraw/zinc/49/75/05/569497505.db2.gz HULZKYKLEQBQPE-UHFFFAOYSA-N 0 0 431.330 4.170 50 0 IIAARN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F ZINC000040284494 569497901 /nfs/dbraw/zinc/49/79/01/569497901.db2.gz WFMSAMABSGJOLK-LJQANCHMSA-N 0 0 446.841 4.308 50 0 IIAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000040287582 569498307 /nfs/dbraw/zinc/49/83/07/569498307.db2.gz IVZYAYYRMUJBEO-ZDUSSCGKSA-N 0 0 428.283 4.357 50 0 IIAARN Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2c1C ZINC000009052924 569498835 /nfs/dbraw/zinc/49/88/35/569498835.db2.gz DWGLEOSWMWNGMB-GFCCVEGCSA-N 0 0 429.567 4.357 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000009054236 569498861 /nfs/dbraw/zinc/49/88/61/569498861.db2.gz IIIRLOBONPLVEY-AVRDEDQJSA-N 0 0 437.540 4.311 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009072640 569500194 /nfs/dbraw/zinc/50/01/94/569500194.db2.gz SAMIIHKZWTXXFP-SFHVURJKSA-N 0 0 434.521 4.412 50 0 IIAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000009077605 569500334 /nfs/dbraw/zinc/50/03/34/569500334.db2.gz WNIXEVOKHSAIII-XDOYNYLZSA-N 0 0 446.937 4.494 50 0 IIAARN C[C@H](Sc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000245238738 569500528 /nfs/dbraw/zinc/50/05/28/569500528.db2.gz AKIVDBMJSGATEX-ZLGUVYLKSA-N 0 0 432.545 4.212 50 0 IIAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000009093524 569501202 /nfs/dbraw/zinc/50/12/02/569501202.db2.gz JHGUKZLQHHBBLQ-UHFFFAOYSA-N 0 0 449.825 4.284 50 0 IIAARN CC(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C(C)C)c1 ZINC000009092606 569501249 /nfs/dbraw/zinc/50/12/49/569501249.db2.gz ZDLWBGWNUSNGLK-RUZDIDTESA-N 0 0 436.508 4.312 50 0 IIAARN Cc1nnc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)s1 ZINC000009101351 569501789 /nfs/dbraw/zinc/50/17/89/569501789.db2.gz SKLQCYDERXURPR-UHFFFAOYSA-N 0 0 441.463 4.201 50 0 IIAARN CCCCC(=O)N[C@](Nc1nc2c(cc(C)cc2C)s1)(C(=O)OCC)C(F)(F)F ZINC000009111580 569502330 /nfs/dbraw/zinc/50/23/30/569502330.db2.gz CBNAEDYPLDQSSM-SFHVURJKSA-N 0 0 431.480 4.453 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1OC ZINC000009115681 569502795 /nfs/dbraw/zinc/50/27/95/569502795.db2.gz YJIWTZLDINYZLG-GDLZYMKVSA-N 0 0 433.913 4.188 50 0 IIAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5cccs5)CC4)sc3n2)cc1 ZINC000009117311 569503088 /nfs/dbraw/zinc/50/30/88/569503088.db2.gz FXGNEVQBQSNAIX-UHFFFAOYSA-N 0 0 437.594 4.361 50 0 IIAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)c1 ZINC000009117580 569503162 /nfs/dbraw/zinc/50/31/62/569503162.db2.gz ZDZTZGWJBZDLHR-LJQANCHMSA-N 0 0 449.555 4.438 50 0 IIAARN O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)NCc1ccccc1Cl ZINC000009118302 569503282 /nfs/dbraw/zinc/50/32/82/569503282.db2.gz OKICTGVUAPQRRP-UHFFFAOYSA-N 0 0 441.984 4.326 50 0 IIAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NCCc1ccccc1 ZINC000009118450 569503315 /nfs/dbraw/zinc/50/33/15/569503315.db2.gz UEEDTZRVYOQDFG-UHFFFAOYSA-N 0 0 449.620 4.495 50 0 IIAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009125282 569504589 /nfs/dbraw/zinc/50/45/89/569504589.db2.gz LQHWGFHYBIHMHX-AREMUKBSSA-N 0 0 441.487 4.201 50 0 IIAARN CC(C)[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1nc2ccccc2[nH]1 ZINC000009125672 569504690 /nfs/dbraw/zinc/50/46/90/569504690.db2.gz PPXPCFXSMVQMHA-IBGZPJMESA-N 0 0 438.532 4.103 50 0 IIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009128860 569505544 /nfs/dbraw/zinc/50/55/44/569505544.db2.gz AAVWPEDQWJESNS-XMMPIXPASA-N 0 0 434.561 4.459 50 0 IIAARN CCC1=CO[C@H]([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)[C@H](CC)C1 ZINC000245380930 569505545 /nfs/dbraw/zinc/50/55/45/569505545.db2.gz VKEITNXIIIWQNR-JFOHGXHASA-N 0 0 446.547 4.470 50 0 IIAARN O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)N(Cc1ccccc1)Cc1ccccc1 ZINC000009129283 569505750 /nfs/dbraw/zinc/50/57/50/569505750.db2.gz VLQCCEXTHIBPSZ-UHFFFAOYSA-N 0 0 446.528 4.117 50 0 IIAARN Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009130423 569506064 /nfs/dbraw/zinc/50/60/64/569506064.db2.gz XRRNPXYFTWVHDQ-FQEVSTJZSA-N 0 0 427.497 4.224 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1Cl ZINC000009152541 569507776 /nfs/dbraw/zinc/50/77/76/569507776.db2.gz PJCMZSATLIGMBP-ZDUSSCGKSA-N 0 0 434.945 4.227 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1Cl ZINC000009152540 569507820 /nfs/dbraw/zinc/50/78/20/569507820.db2.gz PJCMZSATLIGMBP-CYBMUJFWSA-N 0 0 434.945 4.227 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1CCC(C)C)n2C ZINC000009153755 569508176 /nfs/dbraw/zinc/50/81/76/569508176.db2.gz MBRSZCBVXOBDGJ-UHFFFAOYSA-N 0 0 425.916 4.352 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1ccc(-n2cnc3cccnc32)cc1 ZINC000009153869 569508208 /nfs/dbraw/zinc/50/82/08/569508208.db2.gz BWBCAHFFOJGURU-UHFFFAOYSA-N 0 0 437.297 4.122 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1cccc(C)c1)n2C ZINC000009153813 569508215 /nfs/dbraw/zinc/50/82/15/569508215.db2.gz MQDBNYKNSYMYPA-UHFFFAOYSA-N 0 0 439.515 4.069 50 0 IIAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166533 569508921 /nfs/dbraw/zinc/50/89/21/569508921.db2.gz RVTJOIAFKADIDW-UHFFFAOYSA-N 0 0 432.542 4.048 50 0 IIAARN O=C(CN1CCCCC1)Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009168154 569509068 /nfs/dbraw/zinc/50/90/68/569509068.db2.gz XVUXGOBKQZMFRR-UHFFFAOYSA-N 0 0 440.341 4.382 50 0 IIAARN Cc1cc(C)cc(-n2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000009185365 569510109 /nfs/dbraw/zinc/51/01/09/569510109.db2.gz HPVLVUHKMAPXLT-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN Cc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000009185390 569510117 /nfs/dbraw/zinc/51/01/17/569510117.db2.gz FLMJNSHDSGSBFV-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009197678 569511028 /nfs/dbraw/zinc/51/10/28/569511028.db2.gz GQTXRYXJYHFGPU-SFTDATJTSA-N 0 0 437.569 4.254 50 0 IIAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)s1 ZINC000009215654 569511977 /nfs/dbraw/zinc/51/19/77/569511977.db2.gz FJPXFAPMARFLBL-MRXNPFEDSA-N 0 0 427.844 4.495 50 0 IIAARN O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000009216080 569512067 /nfs/dbraw/zinc/51/20/67/569512067.db2.gz OJGOXVSIGIOABA-WQRHYEAKSA-N 0 0 443.525 4.154 50 0 IIAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000009217593 569512310 /nfs/dbraw/zinc/51/23/10/569512310.db2.gz ZPCSZETVVATNDX-UHFFFAOYSA-N 0 0 442.566 4.157 50 0 IIAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009218233 569512384 /nfs/dbraw/zinc/51/23/84/569512384.db2.gz PWODKJXPTMWATC-UHFFFAOYSA-N 0 0 447.564 4.061 50 0 IIAARN C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000009222498 569512727 /nfs/dbraw/zinc/51/27/27/569512727.db2.gz QCLKRWCDDODDCQ-INIZCTEOSA-N 0 0 435.451 4.084 50 0 IIAARN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000009222499 569512755 /nfs/dbraw/zinc/51/27/55/569512755.db2.gz QCLKRWCDDODDCQ-MRXNPFEDSA-N 0 0 435.451 4.084 50 0 IIAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009223505 569513014 /nfs/dbraw/zinc/51/30/14/569513014.db2.gz MLYKBSNGZGHIDT-UHFFFAOYSA-N 0 0 430.504 4.052 50 0 IIAARN COc1cccc(CNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc32)c1 ZINC000009226968 569513369 /nfs/dbraw/zinc/51/33/69/569513369.db2.gz NZDGHEHNXWHDRM-AREMUKBSSA-N 0 0 439.515 4.347 50 0 IIAARN COc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238280 569514296 /nfs/dbraw/zinc/51/42/96/569514296.db2.gz AUQGENXVIOGEPC-NHCUHLMSSA-N 0 0 443.532 4.352 50 0 IIAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000009238857 569514383 /nfs/dbraw/zinc/51/43/83/569514383.db2.gz SRYZYCUAVQNCFZ-NHCUHLMSSA-N 0 0 449.580 4.115 50 0 IIAARN CCN(CC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000009238830 569514405 /nfs/dbraw/zinc/51/44/05/569514405.db2.gz SXYDSIFMTJAZET-ZWKOTPCHSA-N 0 0 427.961 4.226 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009239212 569514447 /nfs/dbraw/zinc/51/44/47/569514447.db2.gz HIIGSPJZYHDIOB-ZWKOTPCHSA-N 0 0 431.924 4.421 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1F)S2 ZINC000009239397 569514493 /nfs/dbraw/zinc/51/44/93/569514493.db2.gz RXBLTJNIORIOJZ-ZWKOTPCHSA-N 0 0 431.924 4.421 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OCC)cc1)[C@H](C(=O)Nc1ccccc1C)S2 ZINC000009239511 569514565 /nfs/dbraw/zinc/51/45/65/569514565.db2.gz ZCDJDZXSBDNISO-LEWJYISDSA-N 0 0 437.569 4.336 50 0 IIAARN CSc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000009243700 569514986 /nfs/dbraw/zinc/51/49/86/569514986.db2.gz LPNRYQAVONWYSK-FQEVSTJZSA-N 0 0 429.929 4.004 50 0 IIAARN COc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000009250004 569515575 /nfs/dbraw/zinc/51/55/75/569515575.db2.gz LYKOZFKYNMGGLB-UHFFFAOYSA-N 0 0 435.549 4.368 50 0 IIAARN Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000009249932 569515589 /nfs/dbraw/zinc/51/55/89/569515589.db2.gz HRSSGLBLKJXAPE-HNNXBMFYSA-N 0 0 447.894 4.478 50 0 IIAARN COc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2nccs2)cc1 ZINC000009250169 569515714 /nfs/dbraw/zinc/51/57/14/569515714.db2.gz JCAWVORJAZZBIY-UHFFFAOYSA-N 0 0 428.539 4.147 50 0 IIAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000009252391 569515974 /nfs/dbraw/zinc/51/59/74/569515974.db2.gz RAVIYDDTCKLEII-QHCPKHFHSA-N 0 0 426.472 4.285 50 0 IIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1c1ccc(OC)cc1 ZINC000009252867 569516111 /nfs/dbraw/zinc/51/61/11/569516111.db2.gz CGBQTTUKUVHNTA-HYBUGGRVSA-N 0 0 438.524 4.185 50 0 IIAARN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009253861 569516248 /nfs/dbraw/zinc/51/62/48/569516248.db2.gz SRCVCWCBDAPWCD-HNPVLQOUSA-N 0 0 433.533 4.428 50 0 biogenic IIAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1cccnc1 ZINC000009253812 569516269 /nfs/dbraw/zinc/51/62/69/569516269.db2.gz 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Cc1csc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3C(C)C)n2C)n1 ZINC000009289964 569519640 /nfs/dbraw/zinc/51/96/40/569519640.db2.gz UGCOTGPFILZTHC-AWEZNQCLSA-N 0 0 431.587 4.402 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009295125 569520338 /nfs/dbraw/zinc/52/03/38/569520338.db2.gz BUDFSGFIIADSQK-RBUKOAKNSA-N 0 0 443.960 4.290 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009295173 569520339 /nfs/dbraw/zinc/52/03/39/569520339.db2.gz GJGYADISQJFBBB-FCHUYYIVSA-N 0 0 443.532 4.255 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295117 569520346 /nfs/dbraw/zinc/52/03/46/569520346.db2.gz ZTBGKUOZXAWPQL-LEWJYISDSA-N 0 0 437.569 4.254 50 0 IIAARN C[C@H](c1ccccc1)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000009300535 569520635 /nfs/dbraw/zinc/52/06/35/569520635.db2.gz TWMOTZSXXAFARC-QGZVFWFLSA-N 0 0 438.549 4.486 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4nc(C)c(C)s4)n3C)oc21 ZINC000009302427 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569586589 /nfs/dbraw/zinc/58/65/89/569586589.db2.gz BRAJYEOBULYXEQ-DYVFJYSZSA-N 0 0 445.532 4.395 50 0 IIAARN CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)N[C@@H](C)c3ccccc3)c1)C(=O)CO2 ZINC000034719199 569587561 /nfs/dbraw/zinc/58/75/61/569587561.db2.gz IHPJNPZNYVJMHO-KRWDZBQOSA-N 0 0 428.488 4.306 50 0 IIAARN COc1cc(OC)cc(N2CC(=O)C(c3nc(-c4ccccc4Cl)cs3)=C2N)c1 ZINC000034770004 569587621 /nfs/dbraw/zinc/58/76/21/569587621.db2.gz CKWKGYDRVVECDO-UHFFFAOYSA-N 0 0 427.913 4.197 50 0 IIAARN Cc1ccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037281009 569588006 /nfs/dbraw/zinc/58/80/06/569588006.db2.gz SURFNCOFTIEECU-AVRWGWEMSA-N 0 0 432.564 4.173 50 0 IIAARN C/C=C(\C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)/C(C)=C/C ZINC000000777954 291377693 /nfs/dbraw/zinc/37/76/93/291377693.db2.gz PNTWXEIQXBRCPS-CLKGFSLHSA-N 0 0 426.465 4.393 50 0 biogenic,in-vitro IIAARN O=C(CNC(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000000634532 193865351 /nfs/dbraw/zinc/86/53/51/193865351.db2.gz QDDGXJQVQPUYRB-UHFFFAOYSA-N 0 0 441.867 4.157 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000638348 193866380 /nfs/dbraw/zinc/86/63/80/193866380.db2.gz DZXMKIRZVSQDHT-UHFFFAOYSA-N 0 0 443.503 4.120 50 0 IIAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1 ZINC000006196156 193891114 /nfs/dbraw/zinc/89/11/14/193891114.db2.gz WYYUTOKTDUFUMP-HZHRSRAPSA-N 0 0 428.513 4.435 50 0 IIAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009847132 193905394 /nfs/dbraw/zinc/90/53/94/193905394.db2.gz YWOGZDBNICWOTC-UHFFFAOYSA-N 0 0 447.564 4.356 50 0 IIAARN COc1ccc(CNc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn32)cc1 ZINC000009831104 193898128 /nfs/dbraw/zinc/89/81/28/193898128.db2.gz TUOBOOMGSWXEGP-UHFFFAOYSA-N 0 0 427.512 4.023 50 0 IIAARN CCc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000009847010 193905294 /nfs/dbraw/zinc/90/52/94/193905294.db2.gz QVPYKZKMWHBJNG-UHFFFAOYSA-N 0 0 442.512 4.231 50 0 IIAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)c1 ZINC000009855565 193908478 /nfs/dbraw/zinc/90/84/78/193908478.db2.gz IEXOPEOXWOOGIQ-UHFFFAOYSA-N 0 0 426.472 4.188 50 0 IIAARN COc1ccc(OCC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019790255 193920021 /nfs/dbraw/zinc/92/00/21/193920021.db2.gz GLGDZDFMUQUVQG-UHFFFAOYSA-N 0 0 432.520 4.211 50 0 IIAARN CC(C)(C)OC(=O)N1CCN(c2cccc3c2CNC(=O)N3Cc2cccc(F)c2)CC1 ZINC000052537255 193926480 /nfs/dbraw/zinc/92/64/80/193926480.db2.gz RHKCMTUGYAEGEP-UHFFFAOYSA-N 0 0 440.519 4.113 50 0 IIAARN COc1ccc(C2(C(=O)NCCc3nc4ccccc4n3CC(C)C)CCOCC2)cc1 ZINC000096223587 193936834 /nfs/dbraw/zinc/93/68/34/193936834.db2.gz KWGLMRSQWQDLQV-UHFFFAOYSA-N 0 0 435.568 4.108 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(OC)c1OC ZINC000009164769 132227094 /nfs/dbraw/zinc/22/70/94/132227094.db2.gz RAGIANHRDKQTHM-UHFFFAOYSA-N 0 0 426.513 4.290 50 0 IIAARN O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)N1CCCc2ccccc21 ZINC000009366359 132231151 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449.917 4.484 50 0 IIAARN COc1ccc(CN2CCN(c3ncnc4sc5c(c43)C[C@@H](C)CC5)CC2)cc1F ZINC000001472994 132245917 /nfs/dbraw/zinc/24/59/17/132245917.db2.gz WPIBKFYNJCLOPO-HNNXBMFYSA-N 0 0 426.561 4.286 50 0 IIAARN CCCCN(CCCNC(=O)CN1c2cc(C)ccc2O[C@H](CC)C1=O)c1ccccc1 ZINC000002934169 132259423 /nfs/dbraw/zinc/25/94/23/132259423.db2.gz YMTKNOIJHKMDFK-HSZRJFAPSA-N 0 0 437.584 4.312 50 0 IIAARN O=C(NC(=S)N1CCN(c2ccccc2O)CC1)c1sc2ccccc2c1Cl ZINC000003292838 132263306 /nfs/dbraw/zinc/26/33/06/132263306.db2.gz FSFOHCNSRSTICD-UHFFFAOYSA-N 0 0 431.970 4.097 50 0 IIAARN O=c1[nH]c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2sc3c(c21)CCCC3 ZINC000003396150 132264852 /nfs/dbraw/zinc/26/48/52/132264852.db2.gz LXQNWWFXRWNOGW-UHFFFAOYSA-N 0 0 448.514 4.204 50 0 IIAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000003412178 132265003 /nfs/dbraw/zinc/26/50/03/132265003.db2.gz HTHRPINTXGGISW-UHFFFAOYSA-N 0 0 442.409 4.129 50 0 IIAARN c1csc(-c2nc3ccccc3c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000003454931 132265780 /nfs/dbraw/zinc/26/57/80/132265780.db2.gz MRBSGXAPRHTQBH-UHFFFAOYSA-N 0 0 430.533 4.409 50 0 IIAARN Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006715071 132278424 /nfs/dbraw/zinc/27/84/24/132278424.db2.gz JVQCZVLZWAVQCW-QQTULTPQSA-N 0 0 425.532 4.115 50 0 IIAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000006740539 132278671 /nfs/dbraw/zinc/27/86/71/132278671.db2.gz UIJBPWYRGKGZCB-UHFFFAOYSA-N 0 0 428.580 4.274 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1C ZINC000006803073 132279097 /nfs/dbraw/zinc/27/90/97/132279097.db2.gz MBVSHIWANZQOJH-UHFFFAOYSA-N 0 0 425.536 4.242 50 0 IIAARN C[C@H](CNC(=O)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000008588414 132283008 /nfs/dbraw/zinc/28/30/08/132283008.db2.gz TYHXOLXYPNTYFR-QGZVFWFLSA-N 0 0 441.959 4.291 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3n(C)c4=O)CC2)c1C ZINC000008596026 132284799 /nfs/dbraw/zinc/28/47/99/132284799.db2.gz QSLAXKQMKGUTTB-UHFFFAOYSA-N 0 0 431.561 4.332 50 0 IIAARN Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)nc2c1 ZINC000008599351 132285965 /nfs/dbraw/zinc/28/59/65/132285965.db2.gz MZLKAOWOIKALKR-UHFFFAOYSA-N 0 0 431.584 4.053 50 0 IIAARN COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCCC3)nn2)c1C ZINC000008605632 132287242 /nfs/dbraw/zinc/28/72/42/132287242.db2.gz OSSZGMLFOPHKRG-UHFFFAOYSA-N 0 0 448.571 4.158 50 0 IIAARN CCc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1 ZINC000008605663 132287262 /nfs/dbraw/zinc/28/72/62/132287262.db2.gz GPVRMXIYUQRYGC-UHFFFAOYSA-N 0 0 446.599 4.081 50 0 IIAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(Cl)cc1 ZINC000008757153 132293123 /nfs/dbraw/zinc/29/31/23/132293123.db2.gz PIPQQIBQSWLJMF-UHFFFAOYSA-N 0 0 437.974 4.377 50 0 IIAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1C ZINC000008846812 132295937 /nfs/dbraw/zinc/29/59/37/132295937.db2.gz CBUAYIGWYZSTTA-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN Cc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1C ZINC000008966065 132298972 /nfs/dbraw/zinc/29/89/72/132298972.db2.gz HAWYZRQZXBTUEA-HSZRJFAPSA-N 0 0 432.520 4.399 50 0 IIAARN O=C(c1ccc(C[S@@](=O)c2ccccc2Cl)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009115526 132303728 /nfs/dbraw/zinc/30/37/28/132303728.db2.gz GBVWYQRZFCUVBV-PMERELPUSA-N 0 0 446.931 4.342 50 0 IIAARN O=C(c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000009115820 132303754 /nfs/dbraw/zinc/30/37/54/132303754.db2.gz TWIIWGLXTWQGOO-SSEXGKCCSA-N 0 0 442.968 4.344 50 0 IIAARN Cn1c(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)nnc1-c1ccco1 ZINC000009254343 132311247 /nfs/dbraw/zinc/31/12/47/132311247.db2.gz GRNQDILRIHVVTJ-SFHVURJKSA-N 0 0 432.505 4.334 50 0 IIAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccc(C)cc3)CC2)c2cc(C)ccc2O1 ZINC000009406081 132315528 /nfs/dbraw/zinc/31/55/28/132315528.db2.gz NPEXFFVLBQDUPG-HSZRJFAPSA-N 0 0 449.595 4.472 50 0 IIAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c(C)c1 ZINC000009406966 132315862 /nfs/dbraw/zinc/31/58/62/132315862.db2.gz BWWPZJCFUQBNQL-MRXNPFEDSA-N 0 0 447.626 4.489 50 0 IIAARN Cc1cc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2c(C)cc(=O)oc2c1 ZINC000009433921 132317298 /nfs/dbraw/zinc/31/72/98/132317298.db2.gz MGXSLOXCRUAUSM-QGZVFWFLSA-N 0 0 440.927 4.179 50 0 IIAARN CC(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)Oc2ccccc21 ZINC000009469691 132318794 /nfs/dbraw/zinc/31/87/94/132318794.db2.gz GUGUOMLFFIFDLD-JOCHJYFZSA-N 0 0 427.932 4.473 50 0 IIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CC(=O)Nc2ccccc21 ZINC000009502534 132319563 /nfs/dbraw/zinc/31/95/63/132319563.db2.gz NNBWNTZKUQPGLU-UHFFFAOYSA-N 0 0 432.530 4.436 50 0 IIAARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000009505021 132319677 /nfs/dbraw/zinc/31/96/77/132319677.db2.gz CJQCVWGMDOSEDR-HDICACEKSA-N 0 0 449.624 4.444 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1Cl ZINC000009594711 132322617 /nfs/dbraw/zinc/32/26/17/132322617.db2.gz ZVRISSQJGUUMCM-UHFFFAOYSA-N 0 0 428.945 4.159 50 0 IIAARN CCOCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000009598043 132322915 /nfs/dbraw/zinc/32/29/15/132322915.db2.gz BIVXUUNMDKXFHO-UHFFFAOYSA-N 0 0 440.588 4.041 50 0 IIAARN Cc1cc(/C=C/C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)n1Cc1ccco1 ZINC000009618728 132323834 /nfs/dbraw/zinc/32/38/34/132323834.db2.gz AORMPYVKAUIZQC-CMDGGOBGSA-N 0 0 447.583 4.330 50 0 IIAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)[nH]c1Cc1ccccc1 ZINC000009645414 132324766 /nfs/dbraw/zinc/32/47/66/132324766.db2.gz AKNQTRWIRLMUPR-GOSISDBHSA-N 0 0 436.581 4.265 50 0 IIAARN O=C(c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000009693861 132326476 /nfs/dbraw/zinc/32/64/76/132326476.db2.gz AISWXIMHMGCUED-LJAQVGFWSA-N 0 0 428.941 4.203 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3Cl)Oc3ccccc32)cc1 ZINC000009699511 132326545 /nfs/dbraw/zinc/32/65/45/132326545.db2.gz OLXDSOLCODBVTK-OAQYLSRUSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(C)cc3C)Oc3ccccc32)cc1 ZINC000009699501 132326586 /nfs/dbraw/zinc/32/65/86/132326586.db2.gz 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ZINC000013153353 132346065 /nfs/dbraw/zinc/34/60/65/132346065.db2.gz PTACUDVUIBNHFR-UHFFFAOYSA-N 0 0 443.547 4.283 50 0 IIAARN O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000013583607 132351032 /nfs/dbraw/zinc/35/10/32/132351032.db2.gz OECLCSCIJOJNJO-UHFFFAOYSA-N 0 0 432.545 4.027 50 0 IIAARN Cc1ccc(-c2csc3ncnc(N4CCN([C@H](C(N)=O)c5ccccc5)CC4)c23)cc1 ZINC000014198717 132356753 /nfs/dbraw/zinc/35/67/53/132356753.db2.gz HCNUDTFMARVRHE-QFIPXVFZSA-N 0 0 443.576 4.015 50 0 IIAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(c3ccccc3NC2=O)[C@@H]2C=C(C)c3ccccc3N21 ZINC000252517670 518210841 /nfs/dbraw/zinc/21/08/41/518210841.db2.gz OJNVTMSOKHBJLS-FQJHJXCSSA-N 0 0 449.510 4.034 50 0 IIAARN CC(=O)c1c(C)nc(C)nc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000012792999 518237300 /nfs/dbraw/zinc/23/73/00/518237300.db2.gz VOIWUPZTLYNLJQ-QGZVFWFLSA-N 0 0 431.945 4.263 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1)OCO2 ZINC000012640567 518293161 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INDOHPIRPWDIQM-UHFFFAOYSA-N 0 0 444.553 4.277 50 0 IIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000012533164 520967964 /nfs/dbraw/zinc/96/79/64/520967964.db2.gz AGRVZRPBEYUQBO-MHZLTWQESA-N 0 0 441.531 4.140 50 0 IIAARN CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000041156947 520986330 /nfs/dbraw/zinc/98/63/30/520986330.db2.gz SKKXXZSBJUVKFN-JOCHJYFZSA-N 0 0 426.582 4.013 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000035558424 521041201 /nfs/dbraw/zinc/04/12/01/521041201.db2.gz DVRLNGLWYXENOO-HHHXNRCGSA-N 0 0 444.531 4.372 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000035558389 521041486 /nfs/dbraw/zinc/04/14/86/521041486.db2.gz NUUBOYMFXMQJFC-MHZLTWQESA-N 0 0 444.531 4.372 50 0 IIAARN CC1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000035723218 521043271 /nfs/dbraw/zinc/04/32/71/521043271.db2.gz MOHZCLLAYCYALQ-NRFANRHFSA-N 0 0 436.556 4.476 50 0 IIAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000035925792 521071064 /nfs/dbraw/zinc/07/10/64/521071064.db2.gz YWOOQVFUOVDXPM-SFHVURJKSA-N 0 0 434.588 4.414 50 0 IIAARN CCOC(=O)[C@@H](NC(=O)/C=C/c1cccs1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000012740809 521074669 /nfs/dbraw/zinc/07/46/69/521074669.db2.gz IBVQVRLYIUMIGQ-VIOKTNGOSA-N 0 0 427.501 4.124 50 0 IIAARN CCC(=O)N(CC)Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1F)CC2 ZINC000035887253 521087943 /nfs/dbraw/zinc/08/79/43/521087943.db2.gz KOULOXGGGCLQRT-UHFFFAOYSA-N 0 0 438.522 4.467 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000021860162 521114773 /nfs/dbraw/zinc/11/47/73/521114773.db2.gz WQSJUDAJQYVNKE-UHFFFAOYSA-N 0 0 438.487 4.349 50 0 IIAARN CCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000021796771 521125102 /nfs/dbraw/zinc/12/51/02/521125102.db2.gz BSPJUKPYGYTDEO-UHFFFAOYSA-N 0 0 425.536 4.455 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)OCC3)c1 ZINC000020926934 521168820 /nfs/dbraw/zinc/16/88/20/521168820.db2.gz YNZRDYHGFYISDI-UHFFFAOYSA-N 0 0 428.872 4.097 50 0 IIAARN CCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCOCC2)cc1 ZINC000012411951 521214007 /nfs/dbraw/zinc/21/40/07/521214007.db2.gz FNMADDHUKDZWJM-UHFFFAOYSA-N 0 0 448.928 4.063 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(C)cc(C)c1)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065167002 521218966 /nfs/dbraw/zinc/21/89/66/521218966.db2.gz ZPDBWEDWCCLURT-XMMPIXPASA-N 0 0 447.579 4.232 50 0 IIAARN CCC(=O)c1ccc(OC[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000012782934 521250912 /nfs/dbraw/zinc/25/09/12/521250912.db2.gz QGGQNJBZIMUEPT-HXUWFJFHSA-N 0 0 428.488 4.096 50 0 IIAARN CCCCc1ccc(NC(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)cc1 ZINC000012541233 521276229 /nfs/dbraw/zinc/27/62/29/521276229.db2.gz NJRCVQYXUCHJBD-UHFFFAOYSA-N 0 0 442.585 4.008 50 0 IIAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3nc4nccc(C)n4n3)sc2c1 ZINC000012758000 521299289 /nfs/dbraw/zinc/29/92/89/521299289.db2.gz BSJLYFPNZBGNLT-UHFFFAOYSA-N 0 0 444.520 4.288 50 0 IIAARN CCOC(=O)[C@H]1CCc2cc3c(N)c(C(=O)Nc4cc(Cl)ccc4OC)sc3nc21 ZINC000012250555 521316407 /nfs/dbraw/zinc/31/64/07/521316407.db2.gz FIWFLSTWUGQQRB-LBPRGKRZSA-N 0 0 445.928 4.386 50 0 IIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012769662 521323551 /nfs/dbraw/zinc/32/35/51/521323551.db2.gz FJVZEBKXAZUUBE-UHFFFAOYSA-N 0 0 442.512 4.297 50 0 IIAARN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000078946858 521337169 /nfs/dbraw/zinc/33/71/69/521337169.db2.gz OHAVPWYHZITMAP-UHFFFAOYSA-N 0 0 425.891 4.320 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CN1CCOCC1 ZINC000020507211 521370522 /nfs/dbraw/zinc/37/05/22/521370522.db2.gz LVYSETUFFVIGEX-UHFFFAOYSA-N 0 0 430.570 4.160 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)C2CC2)c(C)n1C ZINC000036006504 521387700 /nfs/dbraw/zinc/38/77/00/521387700.db2.gz XXVOGCIPCVMAHB-HNNXBMFYSA-N 0 0 430.932 4.348 50 0 IIAARN CCOC(=O)c1c(NC(=S)N2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000001036192 521413767 /nfs/dbraw/zinc/41/37/67/521413767.db2.gz XDFYDVSGQBATDL-UHFFFAOYSA-N 0 0 429.611 4.323 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1 ZINC000021726663 521416726 /nfs/dbraw/zinc/41/67/26/521416726.db2.gz JACRERLGLJYUTR-IBGZPJMESA-N 0 0 444.470 4.045 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 ZINC000021538798 521491513 /nfs/dbraw/zinc/49/15/13/521491513.db2.gz FEQONLFSHIELMG-UHFFFAOYSA-N 0 0 436.537 4.237 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000012249578 521498921 /nfs/dbraw/zinc/49/89/21/521498921.db2.gz JEMGWGCWCKJESO-UHFFFAOYSA-N 0 0 447.900 4.210 50 0 IIAARN CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](c3ccccc3C)C2)(c2ccccc2C)C1=O ZINC000012156551 521523555 /nfs/dbraw/zinc/52/35/55/521523555.db2.gz FCMLLMQAWUZORD-IDISGSTGSA-N 0 0 432.564 4.116 50 0 IIAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)CCC(=O)OCC ZINC000035774872 521532434 /nfs/dbraw/zinc/53/24/34/521532434.db2.gz FOGDKEDXZXYHHN-UHFFFAOYSA-N 0 0 444.597 4.167 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000035530117 521537499 /nfs/dbraw/zinc/53/74/99/521537499.db2.gz XLNQPLWXPNARDY-UHFFFAOYSA-N 0 0 425.529 4.044 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)Cc2ccc(-n3c(CC)nc4cccnc43)cc2)c1 ZINC000015681995 521538783 /nfs/dbraw/zinc/53/87/83/521538783.db2.gz MYRPUTZBYPVDFY-UHFFFAOYSA-N 0 0 428.492 4.341 50 0 IIAARN CCOc1ccccc1NC(=O)c1cc2c(ccn(Cc3ccc(OC)cc3)c2=O)nc1C ZINC000021916836 521549826 /nfs/dbraw/zinc/54/98/26/521549826.db2.gz CUMSDRKWZUNPBJ-UHFFFAOYSA-N 0 0 443.503 4.413 50 0 IIAARN CCCc1nnc(NC(=O)c2nn(Cc3ccccc3Cl)c(=O)c3ccccc32)s1 ZINC000012411472 521566269 /nfs/dbraw/zinc/56/62/69/521566269.db2.gz LRMMYKXREAWHEG-UHFFFAOYSA-N 0 0 439.928 4.155 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445781 521572806 /nfs/dbraw/zinc/57/28/06/521572806.db2.gz SYZZLRHPKLGDBF-PMACEKPBSA-N 0 0 425.533 4.384 50 0 IIAARN CCCn1c(=O)cc(O)nc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012919021 521619765 /nfs/dbraw/zinc/61/97/65/521619765.db2.gz GMJRXNPBRXRGSN-OAHLLOKOSA-N 0 0 425.510 4.271 50 0 IIAARN CCCN(CC1CC1)C(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000020992713 521620165 /nfs/dbraw/zinc/62/01/65/521620165.db2.gz GHYLWYUAVBZQHF-VAWYXSNFSA-N 0 0 443.975 4.407 50 0 IIAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)c(C)n3C3CCCC3)ccc21 ZINC000012548374 521667322 /nfs/dbraw/zinc/66/73/22/521667322.db2.gz XOILKACLLFMLEW-UHFFFAOYSA-N 0 0 447.626 4.302 50 0 IIAARN CCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(OC)cc1 ZINC000020578486 521695240 /nfs/dbraw/zinc/69/52/40/521695240.db2.gz XANILAIQWKKEJK-UHFFFAOYSA-N 0 0 436.581 4.351 50 0 IIAARN CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000021865603 521703200 /nfs/dbraw/zinc/70/32/00/521703200.db2.gz SAYFUEOFWRJXAY-QHCPKHFHSA-N 0 0 425.916 4.342 50 0 IIAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CSCN12 ZINC000021152371 521731193 /nfs/dbraw/zinc/73/11/93/521731193.db2.gz KFFDQOJBCOGZHN-YGHRGLEHSA-N 0 0 445.947 4.074 50 0 biogenic IIAARN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000035944471 521739500 /nfs/dbraw/zinc/73/95/00/521739500.db2.gz PENIZNAZVOLGBH-IBGZPJMESA-N 0 0 435.446 4.439 50 0 IIAARN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035871307 521745010 /nfs/dbraw/zinc/74/50/10/521745010.db2.gz XLTOOFJABUFGKE-UYAOXDASSA-N 0 0 437.893 4.362 50 0 IIAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)c2cccc(F)c2)c(C)n1C ZINC000036018383 521751823 /nfs/dbraw/zinc/75/18/23/521751823.db2.gz MAQJBXQBRHEXJL-QGZVFWFLSA-N 0 0 430.520 4.327 50 0 IIAARN CC[C@@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943060 521833632 /nfs/dbraw/zinc/83/36/32/521833632.db2.gz ZCPLCFCQBVLAGI-NRFANRHFSA-N 0 0 433.556 4.157 50 0 IIAARN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563388 521849928 /nfs/dbraw/zinc/84/99/28/521849928.db2.gz SQIIJCXPMRMRTG-FQEVSTJZSA-N 0 0 449.942 4.120 50 0 IIAARN COc1cc(-c2noc(-c3ccccc3NC(=O)c3ccc(C)nc3)n2)cc(OC)c1OC ZINC000022464437 521911380 /nfs/dbraw/zinc/91/13/80/521911380.db2.gz UIWBDCAUOPOAPB-UHFFFAOYSA-N 0 0 446.463 4.385 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012854094 521982457 /nfs/dbraw/zinc/98/24/57/521982457.db2.gz ZKFDFWXQZOQSRM-GOSISDBHSA-N 0 0 427.353 4.125 50 0 IIAARN COc1cc(/C=C\C(=O)OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)ccc1O ZINC000035168065 521982655 /nfs/dbraw/zinc/98/26/55/521982655.db2.gz RFQTUHDRRXUXMV-TWGQIWQCSA-N 0 0 438.505 4.336 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000012805995 521983669 /nfs/dbraw/zinc/98/36/69/521983669.db2.gz YSZWUESLCOIQIX-UHFFFAOYSA-N 0 0 426.925 4.414 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1C ZINC000012321841 522058185 /nfs/dbraw/zinc/05/81/85/522058185.db2.gz HNRRISXCRBOFTA-UHFFFAOYSA-N 0 0 426.538 4.145 50 0 IIAARN COc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC ZINC000035399406 522070384 /nfs/dbraw/zinc/07/03/84/522070384.db2.gz BICDRGUBGJVCFJ-UHFFFAOYSA-N 0 0 433.508 4.060 50 0 biogenic IIAARN COCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 ZINC000012785564 522073433 /nfs/dbraw/zinc/07/34/33/522073433.db2.gz WGGJOEVQTAYQSY-UHFFFAOYSA-N 0 0 445.548 4.384 50 0 IIAARN COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(OC)c1Br ZINC000012853323 522080821 /nfs/dbraw/zinc/08/08/21/522080821.db2.gz USGJOADYIAQBCS-HNNXBMFYSA-N 0 0 448.313 4.215 50 0 IIAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000016194110 522081832 /nfs/dbraw/zinc/08/18/32/522081832.db2.gz HENSLZIBORUVQV-UHFFFAOYSA-N 0 0 446.503 4.141 50 0 IIAARN CN(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1Cl ZINC000012773728 522087230 /nfs/dbraw/zinc/08/72/30/522087230.db2.gz JSRYCDBNDWNNSZ-OAQYLSRUSA-N 0 0 426.923 4.186 50 0 IIAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)C(C)C ZINC000036008585 522101492 /nfs/dbraw/zinc/10/14/92/522101492.db2.gz OTGLLHNVNOZMQH-QGZVFWFLSA-N 0 0 446.569 4.196 50 0 IIAARN CCc1nc(-c2cc(S(=O)(=O)Nc3c(Cl)cc(OC)cc3OC)c(C)s2)no1 ZINC000035539351 522141785 /nfs/dbraw/zinc/14/17/85/522141785.db2.gz AKBJQSASPUFFFF-UHFFFAOYSA-N 0 0 443.934 4.140 50 0 IIAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cc(OC)c1OC ZINC000022460172 522161567 /nfs/dbraw/zinc/16/15/67/522161567.db2.gz LSBUIJPZIZXUQD-UHFFFAOYSA-N 0 0 432.436 4.077 50 0 IIAARN COc1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc(OC)c1Br ZINC000012788014 522164768 /nfs/dbraw/zinc/16/47/68/522164768.db2.gz XWJSNQMAIXDFOG-UHFFFAOYSA-N 0 0 440.363 4.161 50 0 IIAARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012429622 522255211 /nfs/dbraw/zinc/25/52/11/522255211.db2.gz JCMOSGSQIKDAEP-KRWDZBQOSA-N 0 0 442.943 4.075 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000012377599 522270564 /nfs/dbraw/zinc/27/05/64/522270564.db2.gz HNLZGFWJFPYCQM-UHFFFAOYSA-N 0 0 444.487 4.422 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F ZINC000020734809 522276315 /nfs/dbraw/zinc/27/63/15/522276315.db2.gz IKOSVMLVXSGQSS-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F ZINC000020721735 522277958 /nfs/dbraw/zinc/27/79/58/522277958.db2.gz UBWPORIAETWCOG-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN COc1cc(CN(C)C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)ccc1OC(F)F ZINC000014375365 522340850 /nfs/dbraw/zinc/34/08/50/522340850.db2.gz MMBAISMOUIPWAD-XYOKQWHBSA-N 0 0 430.451 4.095 50 0 IIAARN CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(Cl)cc1Cl ZINC000012910354 522418827 /nfs/dbraw/zinc/41/88/27/522418827.db2.gz QKPNVGUHQWQRPX-UHFFFAOYSA-N 0 0 428.747 4.176 50 0 IIAARN CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000012784521 522421023 /nfs/dbraw/zinc/42/10/23/522421023.db2.gz UYSCKVWOOYDKCC-UHFFFAOYSA-N 0 0 428.747 4.176 50 0 IIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2cccc(F)c2)n1 ZINC000036002878 522440890 /nfs/dbraw/zinc/44/08/90/522440890.db2.gz BVSUHQGRGYAYJP-MRXNPFEDSA-N 0 0 432.503 4.310 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000035990268 522469121 /nfs/dbraw/zinc/46/91/21/522469121.db2.gz ADNKLFPUOHIRIF-UHFFFAOYSA-N 0 0 440.979 4.034 50 0 IIAARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC(=O)Nc1ccccc1Cl ZINC000012814178 522522429 /nfs/dbraw/zinc/52/24/29/522522429.db2.gz OVSFNSIWTXWYQQ-UHFFFAOYSA-N 0 0 432.908 4.112 50 0 IIAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)no1 ZINC000012448669 522560545 /nfs/dbraw/zinc/56/05/45/522560545.db2.gz ZWOYSECFJMBXHH-QGZVFWFLSA-N 0 0 441.793 4.344 50 0 IIAARN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cc(Cl)ccc1Cl ZINC000012418869 522681779 /nfs/dbraw/zinc/68/17/79/522681779.db2.gz JUXNGUDIOQBXFN-SFHVURJKSA-N 0 0 427.353 4.332 50 0 IIAARN COc1cc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000012344148 522687688 /nfs/dbraw/zinc/68/76/88/522687688.db2.gz TWNSMMFTDCHLRS-NRFANRHFSA-N 0 0 443.450 4.429 50 0 IIAARN CCc1nn(CCCC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862460 522703375 /nfs/dbraw/zinc/70/33/75/522703375.db2.gz SHOVPKJSLOFNKP-KRWDZBQOSA-N 0 0 434.540 4.031 50 0 IIAARN COc1cc(NC(=O)c2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2)cc(OC)c1 ZINC000009540410 522721997 /nfs/dbraw/zinc/72/19/97/522721997.db2.gz OHZRIWVILZVFRC-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN CCc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)o1 ZINC000012314372 522783926 /nfs/dbraw/zinc/78/39/26/522783926.db2.gz NTKBDXRGFMHRKQ-INIZCTEOSA-N 0 0 425.558 4.048 50 0 IIAARN CC[C@@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1nc2cc(C)ccc2[nH]1 ZINC000012433957 522799176 /nfs/dbraw/zinc/79/91/76/522799176.db2.gz MIAQDLDTHWYHGA-MRXNPFEDSA-N 0 0 442.445 4.411 50 0 IIAARN COc1cc(OC)cc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000015826577 522861354 /nfs/dbraw/zinc/86/13/54/522861354.db2.gz GREJLNDGTIMJSJ-UHFFFAOYSA-N 0 0 442.468 4.178 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@H]1c1ccc(NC(C)=O)cc1 ZINC000012554825 522868143 /nfs/dbraw/zinc/86/81/43/522868143.db2.gz BEFDQNPKEXBKJJ-IBGZPJMESA-N 0 0 447.919 4.320 50 0 IIAARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(OC(F)F)c(OC)c1 ZINC000012554401 522870892 /nfs/dbraw/zinc/87/08/92/522870892.db2.gz NAFFZABAXJMHNB-IBGZPJMESA-N 0 0 448.491 4.488 50 0 IIAARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000012137457 522872506 /nfs/dbraw/zinc/87/25/06/522872506.db2.gz IJICFPXQOLDOJB-QFIPXVFZSA-N 0 0 430.570 4.402 50 0 IIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc(OC)c1O ZINC000020892732 522931435 /nfs/dbraw/zinc/93/14/35/522931435.db2.gz JMWJFBQKMNUDOF-FQEVSTJZSA-N 0 0 445.928 4.332 50 0 IIAARN COc1cc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc(OC)c1OC ZINC000012344867 522938106 /nfs/dbraw/zinc/93/81/06/522938106.db2.gz ZSYSMFFESHXATP-OAQYLSRUSA-N 0 0 425.460 4.290 50 0 IIAARN COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)o1 ZINC000012208590 522947605 /nfs/dbraw/zinc/94/76/05/522947605.db2.gz XZKOZIPPGYXUEM-HNNXBMFYSA-N 0 0 434.920 4.359 50 0 IIAARN COc1cc2c(cc1OC)CN(CC(=O)NCc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000020683916 523032653 /nfs/dbraw/zinc/03/26/53/523032653.db2.gz GESRSAADRXYNEQ-UHFFFAOYSA-N 0 0 440.927 4.292 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1)N(C(=O)Nc1ccccc1)CC2 ZINC000036041071 523036684 /nfs/dbraw/zinc/03/66/84/523036684.db2.gz BFGPSRGGCCQLQF-JOCHJYFZSA-N 0 0 445.519 4.265 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1nn(C)c3c1CSc1ccccc1-3)CC2 ZINC000020485247 523038609 /nfs/dbraw/zinc/03/86/09/523038609.db2.gz DOTIKCZAVHLXNY-CQSZACIVSA-N 0 0 435.549 4.470 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Cl)c1OC(C)=O)N(C(C)=O)CC2 ZINC000012379450 523040733 /nfs/dbraw/zinc/04/07/33/523040733.db2.gz SOOPXVZHKGPARC-FQEVSTJZSA-N 0 0 438.307 4.430 50 0 IIAARN COc1cc2nc(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)sc2cc1OC ZINC000040131069 523066992 /nfs/dbraw/zinc/06/69/92/523066992.db2.gz RZQKYXBFIOQGJV-UHFFFAOYSA-N 0 0 428.539 4.359 50 0 IIAARN COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3Cl)no2)cc1OC ZINC000012638786 523109114 /nfs/dbraw/zinc/10/91/14/523109114.db2.gz KMUFAGBDNKAMJC-UHFFFAOYSA-N 0 0 437.279 4.361 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1OC ZINC000020745764 523123199 /nfs/dbraw/zinc/12/31/99/523123199.db2.gz NOAHYESBKUBPIV-INIZCTEOSA-N 0 0 426.860 4.392 50 0 IIAARN CCn1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C2CC2)c(C)c1C(=O)OC ZINC000036025533 523123433 /nfs/dbraw/zinc/12/34/33/523123433.db2.gz AZQFRASJFVIXBD-OAHLLOKOSA-N 0 0 430.932 4.441 50 0 IIAARN CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccc3F)CC2)c1=O ZINC000022697229 523139749 /nfs/dbraw/zinc/13/97/49/523139749.db2.gz YLPQWOZRHJKRPC-RUZDIDTESA-N 0 0 435.543 4.241 50 0 IIAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012849064 523149546 /nfs/dbraw/zinc/14/95/46/523149546.db2.gz UUMVRKVIGFXPPR-INIZCTEOSA-N 0 0 430.913 4.288 50 0 IIAARN COc1ccc(-c2csc(CN3CCN(C(=O)c4ccccc4SC)CC3)n2)cc1 ZINC000021688071 523164225 /nfs/dbraw/zinc/16/42/25/523164225.db2.gz BLSAYZPBJTZDDL-UHFFFAOYSA-N 0 0 439.606 4.499 50 0 IIAARN COc1ccc(-c2csc3ncn(C[C@@H](O)COc4cc(C)ccc4C)c(=O)c23)cc1 ZINC000014303869 523172853 /nfs/dbraw/zinc/17/28/53/523172853.db2.gz ZNIMSSFTCJJIRI-GOSISDBHSA-N 0 0 436.533 4.190 50 0 IIAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C\c1ccc(N2CCCS2(=O)=O)cc1 ZINC000096973309 523230039 /nfs/dbraw/zinc/23/00/39/523230039.db2.gz OYPPIWUUVDEOPT-YHYXMXQVSA-N 0 0 439.364 4.205 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2nnc(C)s2)cc1OC ZINC000033470089 523242360 /nfs/dbraw/zinc/24/23/60/523242360.db2.gz KKUXJWKHJRRSHK-BENRWUELSA-N 0 0 447.520 4.368 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000035271332 523265451 /nfs/dbraw/zinc/26/54/51/523265451.db2.gz HIAQBEJTDHKXMA-OLMNPRSZSA-N 0 0 445.589 4.017 50 0 IIAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000035767466 523269288 /nfs/dbraw/zinc/26/92/88/523269288.db2.gz XZSZUPZFTHZPDN-UHFFFAOYSA-N 0 0 448.495 4.149 50 0 IIAARN COc1ccc(-c2noc(-c3nnn(-c4ccccc4C(F)(F)F)c3C)n2)cc1OC ZINC000020982197 523278588 /nfs/dbraw/zinc/27/85/88/523278588.db2.gz YPMGMOZEXCFALX-UHFFFAOYSA-N 0 0 431.374 4.329 50 0 IIAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c2cc(Cl)ccc2O1 ZINC000015728463 523298143 /nfs/dbraw/zinc/29/81/43/523298143.db2.gz DDBMVRNUUIUZRN-ZDUSSCGKSA-N 0 0 438.958 4.141 50 0 IIAARN COc1ccc(-c2noc(Cn3nc(-c4ccccc4)c4ccccc4c3=O)n2)c(OC)c1 ZINC000035512100 523299382 /nfs/dbraw/zinc/29/93/82/523299382.db2.gz DHNHEOKZUIIVJD-UHFFFAOYSA-N 0 0 440.459 4.179 50 0 IIAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255981 523300386 /nfs/dbraw/zinc/30/03/86/523300386.db2.gz RAUGRWXRURGTMM-UHFFFAOYSA-N 0 0 434.471 4.023 50 0 IIAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)C2CC2)cc1 ZINC000036040843 523326361 /nfs/dbraw/zinc/32/63/61/523326361.db2.gz BGVPLDMUOORZIC-UHFFFAOYSA-N 0 0 446.551 4.381 50 0 IIAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)NCc3ccccc3)c2s1 ZINC000035534131 523353514 /nfs/dbraw/zinc/35/35/14/523353514.db2.gz JCNFMEFLHXZWJD-UHFFFAOYSA-N 0 0 435.578 4.131 50 0 IIAARN COCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccs3)on1)CCCC2 ZINC000021786009 523364034 /nfs/dbraw/zinc/36/40/34/523364034.db2.gz VHNIUXXWMFZFGC-UHFFFAOYSA-N 0 0 445.566 4.362 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)cc1OC ZINC000022017298 523382523 /nfs/dbraw/zinc/38/25/23/523382523.db2.gz IFNZXNLHDGEBIP-PGMHBOJBSA-N 0 0 428.488 4.064 50 0 IIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)/C=C/c3ccccc3Cl)C2=O)cc1 ZINC000012541199 523427497 /nfs/dbraw/zinc/42/74/97/523427497.db2.gz XYPXEIYOAJQSLT-YCZKWLMNSA-N 0 0 442.924 4.215 50 0 IIAARN COc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(OC)cc3)n2)cc1 ZINC000033333768 523431922 /nfs/dbraw/zinc/43/19/22/523431922.db2.gz QWMLDTRJEJDKFO-APGQMXJTSA-N 0 0 429.476 4.403 50 0 IIAARN CCn1cc([C@H](CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872190 523477909 /nfs/dbraw/zinc/47/79/09/523477909.db2.gz IFOGRCRLPAAIFU-HSZRJFAPSA-N 0 0 437.559 4.161 50 0 IIAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cnn(C(F)F)c2C)n1 ZINC000020608174 523493143 /nfs/dbraw/zinc/49/31/43/523493143.db2.gz KZLAUEHEMHJXFJ-UHFFFAOYSA-N 0 0 437.516 4.322 50 0 IIAARN COCCCn1c(C(=O)Nc2cccc3ccccc32)cc2c1nc1ccccn1c2=O ZINC000012421597 523499576 /nfs/dbraw/zinc/49/95/76/523499576.db2.gz MOQGBTXXXGUJNT-UHFFFAOYSA-N 0 0 426.476 4.091 50 0 IIAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012738140 523508699 /nfs/dbraw/zinc/50/86/99/523508699.db2.gz HUIJHLAGELUAHB-ZDUSSCGKSA-N 0 0 432.336 4.112 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(NC(=O)c3nc4ccccc4s3)s2)cc1 ZINC000042379312 523591679 /nfs/dbraw/zinc/59/16/79/523591679.db2.gz LHRQXEUHMXMHSN-UHFFFAOYSA-N 0 0 442.547 4.384 50 0 IIAARN COc1ccc(C(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C2CC2)cc1 ZINC000036012038 523611864 /nfs/dbraw/zinc/61/18/64/523611864.db2.gz AVZFGOSTRWTHAJ-UHFFFAOYSA-N 0 0 438.480 4.181 50 0 IIAARN CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000023438631 523623840 /nfs/dbraw/zinc/62/38/40/523623840.db2.gz MIRBYWWHTNZURQ-DEOSSOPVSA-N 0 0 438.524 4.363 50 0 IIAARN COc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cc1 ZINC000012717852 523631527 /nfs/dbraw/zinc/63/15/27/523631527.db2.gz YXBRWPXJRTXJHA-FQEVSTJZSA-N 0 0 436.537 4.156 50 0 IIAARN COc1ccc(C(=O)NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2sccc2C)cc1 ZINC000035961820 523687867 /nfs/dbraw/zinc/68/78/67/523687867.db2.gz RYBSFRJTPAVXSV-GOSISDBHSA-N 0 0 439.562 4.234 50 0 IIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000035889782 523710281 /nfs/dbraw/zinc/71/02/81/523710281.db2.gz VPOLLYHWYRIBEX-UHFFFAOYSA-N 0 0 430.552 4.294 50 0 IIAARN COc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000012156405 523717167 /nfs/dbraw/zinc/71/71/67/523717167.db2.gz FLBUDEKMBURSIW-UHFFFAOYSA-N 0 0 449.511 4.032 50 0 IIAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035980459 523734587 /nfs/dbraw/zinc/73/45/87/523734587.db2.gz RXCJOBVQUVEJMP-UHFFFAOYSA-N 0 0 435.524 4.273 50 0 IIAARN COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022784999 523734990 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IIAARN Cc1ccc(Cl)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c1Cl ZINC000012795380 524702479 /nfs/dbraw/zinc/70/24/79/524702479.db2.gz CAIVFSXSUVBBGT-UHFFFAOYSA-N 0 0 436.339 4.297 50 0 IIAARN COc1ccc(Nc2nc(COC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cs2)cc1 ZINC000012656543 524717983 /nfs/dbraw/zinc/71/79/83/524717983.db2.gz DLEZSIWIMJTVAQ-QGZVFWFLSA-N 0 0 427.457 4.204 50 0 IIAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc21 ZINC000009406943 534804386 /nfs/dbraw/zinc/80/43/86/534804386.db2.gz SMEFLPJGBXGYDR-UHFFFAOYSA-N 0 0 441.372 4.017 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(C)(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035482773 524746958 /nfs/dbraw/zinc/74/69/58/524746958.db2.gz FDSLRVNFYDAOOR-UHFFFAOYSA-N 0 0 443.931 4.328 50 0 IIAARN COc1ccccc1[C@@H]1CC(c2ccccc2NS(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684006 524750166 /nfs/dbraw/zinc/75/01/66/524750166.db2.gz HPFQCFDZACCCLC-QHCPKHFHSA-N 0 0 449.532 4.194 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051606 524758498 /nfs/dbraw/zinc/75/84/98/524758498.db2.gz QAHBVVGMOSMDEL-XZOQPEGZSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)CC(C)(C)C ZINC000035961075 524807225 /nfs/dbraw/zinc/80/72/25/524807225.db2.gz ZXJZBCKVWBHBJR-OAQYLSRUSA-N 0 0 439.531 4.407 50 0 IIAARN COc1ccccc1[C@H]1CN(CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097974 524817431 /nfs/dbraw/zinc/81/74/31/524817431.db2.gz DCOLTAXVSPBQIU-XMMPIXPASA-N 0 0 435.524 4.172 50 0 IIAARN COc1ccc(OC)c(NC(=O)NCCc2nc3cccnc3n2Cc2ccc(C)cc2)c1 ZINC000033263726 524858931 /nfs/dbraw/zinc/85/89/31/524858931.db2.gz VCMBEFLUANSYMJ-UHFFFAOYSA-N 0 0 445.523 4.169 50 0 IIAARN Cc1cc(Cl)cc(C)c1OCC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012856829 524861555 /nfs/dbraw/zinc/86/15/55/524861555.db2.gz WBFAKKGBEYZSDJ-UHFFFAOYSA-N 0 0 442.899 4.193 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)c1 ZINC000035672090 524868311 /nfs/dbraw/zinc/86/83/11/524868311.db2.gz NDPBLECYGCCJSG-UHFFFAOYSA-N 0 0 449.532 4.279 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000012361739 524901838 /nfs/dbraw/zinc/90/18/38/524901838.db2.gz VJDLRHZEQMIJGH-RUZDIDTESA-N 0 0 448.544 4.452 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000012430447 524925868 /nfs/dbraw/zinc/92/58/68/524925868.db2.gz XEBFWQXGFCOEGK-UHFFFAOYSA-N 0 0 448.972 4.120 50 0 IIAARN Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3C2=O)cc1C ZINC000001090439 524931679 /nfs/dbraw/zinc/93/16/79/524931679.db2.gz OJLJTYQAGWXUAK-UHFFFAOYSA-N 0 0 439.515 4.066 50 0 IIAARN Cc1ccc(N2CCN(Cc3cnc(S(=O)(=O)C(C)C)n3CCC(C)C)[C@@H](C)C2)cc1 ZINC000012304889 524964097 /nfs/dbraw/zinc/96/40/97/524964097.db2.gz DVGHSBOTHAZXGJ-NRFANRHFSA-N 0 0 446.661 4.130 50 0 IIAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)NC2CCCC2)cc1 ZINC000021659928 524964701 /nfs/dbraw/zinc/96/47/01/524964701.db2.gz BRVDZMJSUUIIKP-UHFFFAOYSA-N 0 0 425.554 4.275 50 0 IIAARN Cc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCc4cccs4)[C@@H]3C2)cc1 ZINC000035894233 524966265 /nfs/dbraw/zinc/96/62/65/524966265.db2.gz JAQRIONNIQWTDB-ZCYQVOJMSA-N 0 0 431.605 4.283 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1cccs1 ZINC000012848914 524978763 /nfs/dbraw/zinc/97/87/63/524978763.db2.gz SCTVDTOSJTVABJ-WMLDXEAASA-N 0 0 446.573 4.294 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(SCC(=O)Nc4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000021089343 524987741 /nfs/dbraw/zinc/98/77/41/524987741.db2.gz IKJXZCGCPBYPNK-CQSZACIVSA-N 0 0 442.928 4.283 50 0 IIAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000012419094 525013222 /nfs/dbraw/zinc/01/32/22/525013222.db2.gz NSABTWQRSWBEKH-HOTGVXAUSA-N 0 0 430.501 4.236 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2O1 ZINC000041157592 525051262 /nfs/dbraw/zinc/05/12/62/525051262.db2.gz XJBTXRQLCDSCFW-OAHLLOKOSA-N 0 0 426.469 4.054 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884145 525061700 /nfs/dbraw/zinc/06/17/00/525061700.db2.gz SIAPKRHHAVNGGK-QGZVFWFLSA-N 0 0 434.467 4.153 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3cnc4ccccc4n3)cc2CN(Cc2ccccc2)C1=O ZINC000035908947 525064428 /nfs/dbraw/zinc/06/44/28/525064428.db2.gz KPMMVNGPKQMSOM-QGZVFWFLSA-N 0 0 438.487 4.192 50 0 IIAARN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1F ZINC000012906097 525068832 /nfs/dbraw/zinc/06/88/32/525068832.db2.gz HBMNRUHXOQXIJT-UHFFFAOYSA-N 0 0 434.514 4.038 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)cc1 ZINC000035531626 525085588 /nfs/dbraw/zinc/08/55/88/525085588.db2.gz RAVILMLHJNCNGR-UHFFFAOYSA-N 0 0 441.582 4.191 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021861283 525134307 /nfs/dbraw/zinc/13/43/07/525134307.db2.gz OMOZPISORWWKCV-LPOPLRKUSA-N 0 0 444.579 4.454 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000022918697 525142413 /nfs/dbraw/zinc/14/24/13/525142413.db2.gz FXNJQKJCUHODSA-UHFFFAOYSA-N 0 0 426.563 4.486 50 0 IIAARN Cc1ccccc1CNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012609578 525163944 /nfs/dbraw/zinc/16/39/44/525163944.db2.gz LXJKGGQYJHGXDT-UHFFFAOYSA-N 0 0 431.945 4.060 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCc2cccs2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561262 525171586 /nfs/dbraw/zinc/17/15/86/525171586.db2.gz IMEGJNCQXUFORQ-HXUWFJFHSA-N 0 0 436.533 4.169 50 0 IIAARN COc1ccc([C@@H](NC(=O)CNC(=O)Cc2cccc3ccccc32)c2ccccc2)cc1 ZINC000012746297 525195251 /nfs/dbraw/zinc/19/52/51/525195251.db2.gz JZZHWUAWHHFXHE-NDEPHWFRSA-N 0 0 438.527 4.413 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1 ZINC000021811908 525200369 /nfs/dbraw/zinc/20/03/69/525200369.db2.gz NVWMIKIGKJVBNG-XMMPIXPASA-N 0 0 436.487 4.150 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000015672802 525202024 /nfs/dbraw/zinc/20/20/24/525202024.db2.gz LXOIUHGKPWZQFV-MHECFPHRSA-N 0 0 443.613 4.325 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1F ZINC000021860256 525239125 /nfs/dbraw/zinc/23/91/25/525239125.db2.gz ODLBRZCCWLHUMB-UHFFFAOYSA-N 0 0 426.451 4.397 50 0 IIAARN CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cc4ccccc4o2)O3)cc1 ZINC000012202670 525240506 /nfs/dbraw/zinc/24/05/06/525240506.db2.gz CHFWJAMEADKQQX-FQEVSTJZSA-N 0 0 447.512 4.237 50 0 IIAARN Cc1ccc(NC(=O)c2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c(Cl)c1 ZINC000021117656 525241073 /nfs/dbraw/zinc/24/10/73/525241073.db2.gz QCKSLHMEZDHPRY-FQEVSTJZSA-N 0 0 427.913 4.303 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012915411 525245571 /nfs/dbraw/zinc/24/55/71/525245571.db2.gz SZLIBIXJELVULL-SFHVURJKSA-N 0 0 437.323 4.104 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000009661154 525254869 /nfs/dbraw/zinc/25/48/69/525254869.db2.gz LDUCLVMDHCLPOW-UHFFFAOYSA-N 0 0 447.861 4.354 50 0 IIAARN C[C@H](NC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1)c1cnn(-c2ccccc2)c1 ZINC000012716966 525258788 /nfs/dbraw/zinc/25/87/88/525258788.db2.gz LLMWUHXVLZYVBW-HNNXBMFYSA-N 0 0 440.429 4.022 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCCc3ccccc3)s2)cc1 ZINC000032987061 525261696 /nfs/dbraw/zinc/26/16/96/525261696.db2.gz LUHRZFYIKOHVQF-UHFFFAOYSA-N 0 0 440.594 4.081 50 0 IIAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1OC ZINC000012344295 525281707 /nfs/dbraw/zinc/28/17/07/525281707.db2.gz OVCIYPHBDIBDFD-JOCHJYFZSA-N 0 0 437.496 4.160 50 0 IIAARN COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1 ZINC000020560697 525344878 /nfs/dbraw/zinc/34/48/78/525344878.db2.gz NNULONSSZIPOCO-NRFANRHFSA-N 0 0 430.460 4.150 50 0 IIAARN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000012768969 525354512 /nfs/dbraw/zinc/35/45/12/525354512.db2.gz FIQKOJVTMUEASB-QHCPKHFHSA-N 0 0 441.531 4.245 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4nc5ccccc5s4)c(=O)[nH]c3C2)cc1 ZINC000021042660 525404598 /nfs/dbraw/zinc/40/45/98/525404598.db2.gz LZOBBCOVMUWUAM-CQSZACIVSA-N 0 0 445.500 4.158 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000012615432 525441967 /nfs/dbraw/zinc/44/19/67/525441967.db2.gz ZOHTYVYHPKLTOZ-KUHUBIRLSA-N 0 0 434.521 4.481 50 0 IIAARN COc1ccc2[nH]cc(CCNc3ccc(S(=O)(=O)c4ccc(C)c(C)c4)nn3)c2c1 ZINC000035424337 525494855 /nfs/dbraw/zinc/49/48/55/525494855.db2.gz GWROWYQIXWEINN-UHFFFAOYSA-N 0 0 436.537 4.071 50 0 IIAARN COc1ccc2c(C)nc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)nc2c1 ZINC000014879072 525497132 /nfs/dbraw/zinc/49/71/32/525497132.db2.gz XAUOLTDBLLDPSR-HSZRJFAPSA-N 0 0 430.552 4.357 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(C)cc2C)cc1 ZINC000022275338 525503307 /nfs/dbraw/zinc/50/33/07/525503307.db2.gz RVDXUTGDVHWUDG-UHFFFAOYSA-N 0 0 436.577 4.466 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000012753511 525519787 /nfs/dbraw/zinc/51/97/87/525519787.db2.gz KEDZVRJZZUYIFY-LJQANCHMSA-N 0 0 436.577 4.426 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000012611809 525524839 /nfs/dbraw/zinc/52/48/39/525524839.db2.gz SODHNZOEJUCMPQ-LJQANCHMSA-N 0 0 428.598 4.469 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000012565137 525526629 /nfs/dbraw/zinc/52/66/29/525526629.db2.gz VGVJQNGHHNDOGK-UHFFFAOYSA-N 0 0 428.341 4.124 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCCCC4)cc3)C2)s1 ZINC000012522050 525535419 /nfs/dbraw/zinc/53/54/19/525535419.db2.gz OIJLCANVGYIRMB-SFHVURJKSA-N 0 0 447.626 4.086 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)N(C)Cc1ccccc1)C2 ZINC000035872064 525550517 /nfs/dbraw/zinc/55/05/17/525550517.db2.gz YPKXEEZUMJWCTP-AHKZPQOWSA-N 0 0 441.575 4.221 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3F)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035911056 525551182 /nfs/dbraw/zinc/55/11/82/525551182.db2.gz WBEWZZXQVATYDD-ATIYNZHBSA-N 0 0 445.538 4.018 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(OC)cc3OC)CC1)c1cccn1-2 ZINC000035446956 525551503 /nfs/dbraw/zinc/55/15/03/525551503.db2.gz HQFZFECZXZJZRE-UHFFFAOYSA-N 0 0 448.523 4.452 50 0 biogenic IIAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCCCCC1 ZINC000012882677 525591230 /nfs/dbraw/zinc/59/12/30/525591230.db2.gz PITDGVLNBQDMHU-KRWDZBQOSA-N 0 0 427.408 4.093 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884148 525610364 /nfs/dbraw/zinc/61/03/64/525610364.db2.gz SIAPKRHHAVNGGK-KRWDZBQOSA-N 0 0 434.467 4.153 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl ZINC000012867686 525611364 /nfs/dbraw/zinc/61/13/64/525611364.db2.gz MCTBNONRRQAZHE-WIYYLYMNSA-N 0 0 446.956 4.022 50 0 biogenic IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCCOC(C)C)C3=O)o1 ZINC000021811838 525618500 /nfs/dbraw/zinc/61/85/00/525618500.db2.gz QMRNUJPDEQIKGG-RUZDIDTESA-N 0 0 443.588 4.411 50 0 IIAARN COc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)ccc2c1 ZINC000009818176 525621447 /nfs/dbraw/zinc/62/14/47/525621447.db2.gz JPWLJWBBMVVFFB-UHFFFAOYSA-N 0 0 427.298 4.322 50 0 IIAARN COc1ccc2cc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)ccc2c1 ZINC000012868001 525633525 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527657222 /nfs/dbraw/zinc/65/72/22/527657222.db2.gz PNNBWZYGAQPLOV-RUZDIDTESA-N 0 0 442.519 4.090 50 0 IIAARN O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000020985743 527671954 /nfs/dbraw/zinc/67/19/54/527671954.db2.gz VXIPPIRASQBRRL-UHFFFAOYSA-N 0 0 427.614 4.248 50 0 IIAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)c1 ZINC000012448145 527685777 /nfs/dbraw/zinc/68/57/77/527685777.db2.gz UEHMIVQQICENBN-LJQANCHMSA-N 0 0 432.446 4.255 50 0 IIAARN FC(F)(F)c1ccnc(N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)n1 ZINC000001048364 527688074 /nfs/dbraw/zinc/68/80/74/527688074.db2.gz IYCQGBHGZMYBCA-UHFFFAOYSA-N 0 0 442.470 4.494 50 0 IIAARN FC(F)(F)c1nn2c(nnc2-c2ccc(Cl)cc2)c2c1nnn2Cc1ccccc1 ZINC000020889501 527690892 /nfs/dbraw/zinc/69/08/92/527690892.db2.gz YACDYEJSDBZJJC-UHFFFAOYSA-N 0 0 429.793 4.257 50 0 IIAARN FC(F)Oc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000012807780 527697167 /nfs/dbraw/zinc/69/71/67/527697167.db2.gz UAAXAEUVRXPMOC-UHFFFAOYSA-N 0 0 446.523 4.226 50 0 IIAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1 ZINC000009988364 535372971 /nfs/dbraw/zinc/37/29/71/535372971.db2.gz OSZWXNDUBOYVCN-UHFFFAOYSA-N 0 0 439.566 4.483 50 0 IIAARN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587740 535403827 /nfs/dbraw/zinc/40/38/27/535403827.db2.gz LVYYEDCTQXFCCT-FQEVSTJZSA-N 0 0 446.576 4.220 50 0 IIAARN CCN1CCN(c2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009969336 535742717 /nfs/dbraw/zinc/74/27/17/535742717.db2.gz NRBXWZBFXYHDGD-UHFFFAOYSA-N 0 0 429.973 4.171 50 0 IIAARN COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009289085 536633364 /nfs/dbraw/zinc/63/33/64/536633364.db2.gz IPSFZXWZSWLEHO-UHFFFAOYSA-N 0 0 425.710 4.200 50 0 IIAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004733041 536660091 /nfs/dbraw/zinc/66/00/91/536660091.db2.gz CQQIFSJWGXDAAE-ISKFKSNPSA-N 0 0 433.483 4.030 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CN(C(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000008912234 536888171 /nfs/dbraw/zinc/88/81/71/536888171.db2.gz UWZPMEWEKLIAMY-JOCHJYFZSA-N 0 0 436.895 4.073 50 0 IIAARN COc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)c(OC)c1 ZINC000009510986 536937205 /nfs/dbraw/zinc/93/72/05/536937205.db2.gz CBPBRSPBFVUPDK-MRXNPFEDSA-N 0 0 433.382 4.054 50 0 IIAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)CC1 ZINC000010076136 537072052 /nfs/dbraw/zinc/07/20/52/537072052.db2.gz KQTRHTAJDTVEPO-SFHVURJKSA-N 0 0 448.954 4.378 50 0 IIAARN COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009125199 555509660 /nfs/dbraw/zinc/50/96/60/555509660.db2.gz OWHSUTZDGCJBIW-LICLKQGHSA-N 0 0 430.504 4.385 50 0 IIAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)c1ccccc1 ZINC000000628856 555513735 /nfs/dbraw/zinc/51/37/35/555513735.db2.gz AEESCBLXBYNFNH-UHFFFAOYSA-N 0 0 428.941 4.236 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1 ZINC000000639627 555517801 /nfs/dbraw/zinc/51/78/01/555517801.db2.gz YBOIYNFEEQSPHS-QHCPKHFHSA-N 0 0 430.508 4.293 50 0 IIAARN O=C(Cn1nnc2c(sc3nc4c(c(-c5ccccc5)c32)CCC4)c1=O)c1ccccc1 ZINC000000642969 555519248 /nfs/dbraw/zinc/51/92/48/555519248.db2.gz LLMADHMFMCRWEZ-UHFFFAOYSA-N 0 0 438.512 4.440 50 0 IIAARN Cc1nc2ccccc2n1S(=O)(=O)c1cc(Br)ccc1Br ZINC000000644576 555519855 /nfs/dbraw/zinc/51/98/55/555519855.db2.gz KYSZANPKGMOSCT-UHFFFAOYSA-N 0 0 430.121 4.107 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)OCCO2 ZINC000000645120 555520113 /nfs/dbraw/zinc/52/01/13/555520113.db2.gz ODVPQBSANDTUFE-UHFFFAOYSA-N 0 0 433.283 4.245 50 0 IIAARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(I)cc1 ZINC000000644822 555520146 /nfs/dbraw/zinc/52/01/46/555520146.db2.gz QIRIZBXKUVILGH-UHFFFAOYSA-N 0 0 427.185 4.111 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000000646166 555520707 /nfs/dbraw/zinc/52/07/07/555520707.db2.gz MHIWUIHNDOQBPQ-UHFFFAOYSA-N 0 0 442.957 4.094 50 0 IIAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000000653263 555523842 /nfs/dbraw/zinc/52/38/42/555523842.db2.gz OPLXCSDAUOZKDF-MRXNPFEDSA-N 0 0 447.207 4.094 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)cc3n2)s1 ZINC000000655211 555524761 /nfs/dbraw/zinc/52/47/61/555524761.db2.gz SADMZNWLHSQZNJ-UHFFFAOYSA-N 0 0 448.474 4.011 50 0 IIAARN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl ZINC000000667755 555529551 /nfs/dbraw/zinc/52/95/51/555529551.db2.gz DCYVQMJIAQWTRP-UHFFFAOYSA-N 0 0 438.977 4.169 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1OC ZINC000000669594 555530158 /nfs/dbraw/zinc/53/01/58/555530158.db2.gz JDBORLPTSRRHJZ-UHFFFAOYSA-N 0 0 434.477 4.034 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000000670215 555530433 /nfs/dbraw/zinc/53/04/33/555530433.db2.gz MECPYIPMBSCVPU-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000670572 555530804 /nfs/dbraw/zinc/53/08/04/555530804.db2.gz ZAODSZVYROBZJM-ZDUSSCGKSA-N 0 0 443.352 4.184 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000670224 555530828 /nfs/dbraw/zinc/53/08/28/555530828.db2.gz FZFWQTMBOMKEGZ-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1sc(NC(=O)COc2ccc3ccccc3c2Br)c(C(N)=O)c1C ZINC000000674012 555532755 /nfs/dbraw/zinc/53/27/55/555532755.db2.gz RCKXNOCLBIYEAN-UHFFFAOYSA-N 0 0 433.327 4.397 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br ZINC000000674476 555533477 /nfs/dbraw/zinc/53/34/77/555533477.db2.gz WPFRVIDEQXFZSK-UHFFFAOYSA-N 0 0 437.359 4.184 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000000676651 555534896 /nfs/dbraw/zinc/53/48/96/555534896.db2.gz HPMJUGQHUDKEQL-UHFFFAOYSA-N 0 0 440.521 4.130 50 0 IIAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000677021 555535456 /nfs/dbraw/zinc/53/54/56/555535456.db2.gz ISHPNKUXYJKRSQ-UHFFFAOYSA-N 0 0 430.570 4.439 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 ZINC000000679771 555537173 /nfs/dbraw/zinc/53/71/73/555537173.db2.gz RLIFJIBDUYEJKZ-UHFFFAOYSA-N 0 0 445.910 4.146 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000000682292 555538036 /nfs/dbraw/zinc/53/80/36/555538036.db2.gz NVLYSPPTWDVZLX-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2 ZINC000000684184 555538979 /nfs/dbraw/zinc/53/89/79/555538979.db2.gz XGACFZUAGMOMSZ-LJQANCHMSA-N 0 0 426.498 4.180 50 0 IIAARN CSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)Nc1ccc(Br)cc1-2 ZINC000000683669 555539042 /nfs/dbraw/zinc/53/90/42/555539042.db2.gz XKNDHTWLJKKZKG-INIZCTEOSA-N 0 0 445.298 4.255 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000000683449 555539076 /nfs/dbraw/zinc/53/90/76/555539076.db2.gz ZXDDVXJNIQFAPY-UHFFFAOYSA-N 0 0 436.577 4.484 50 0 IIAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000000684711 555539507 /nfs/dbraw/zinc/53/95/07/555539507.db2.gz RJWYPYSJPLZBRD-OAQYLSRUSA-N 0 0 436.493 4.214 50 0 IIAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000000705314 555544724 /nfs/dbraw/zinc/54/47/24/555544724.db2.gz CURQUTOACWBJAW-OAHLLOKOSA-N 0 0 432.259 4.358 50 0 biogenic,in-vitro IIAARN Cc1ccc(NC[C@H](O)COc2ccc(OC[C@@H](O)CNc3ccc(C)cc3)cc2)cc1 ZINC000000758013 555554121 /nfs/dbraw/zinc/55/41/21/555554121.db2.gz FBXKQZDIIYRQHD-ZEQRLZLVSA-N 0 0 436.552 4.007 50 0 IIAARN Cc1ccc(NC[C@@H](O)COc2ccc(OC[C@H](O)CNc3ccc(C)cc3)cc2)cc1 ZINC000000758012 555554168 /nfs/dbraw/zinc/55/41/68/555554168.db2.gz FBXKQZDIIYRQHD-DNQXCXABSA-N 0 0 436.552 4.007 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000000795344 555557931 /nfs/dbraw/zinc/55/79/31/555557931.db2.gz OSRUONKCZRNFBC-SECBINFHSA-N 0 0 445.349 4.413 50 0 IIAARN Cc1cccc(-n2c(N)cc(=O)nc2S[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000000798427 555558667 /nfs/dbraw/zinc/55/86/67/555558667.db2.gz ONIFIQPFVTXDGI-INIZCTEOSA-N 0 0 430.533 4.396 50 0 IIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000816110 555562511 /nfs/dbraw/zinc/56/25/11/555562511.db2.gz RHXYUJQZKIAQJZ-RPWUZVMVSA-N 0 0 437.467 4.383 50 0 IIAARN O=C(Oc1ccc(NS(=O)(=O)c2ccccc2)cc1Br)c1ccccc1 ZINC000000822142 555564199 /nfs/dbraw/zinc/56/41/99/555564199.db2.gz SFSGIHGKVCKJQR-UHFFFAOYSA-N 0 0 432.295 4.469 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827030 555565467 /nfs/dbraw/zinc/56/54/67/555565467.db2.gz CEMLFRLKVOVRCL-UHFFFAOYSA-N 0 0 432.383 4.458 50 0 IIAARN COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)c2)c(OC)c1 ZINC000000832890 555566522 /nfs/dbraw/zinc/56/65/22/555566522.db2.gz YNQRTGCFTZEOID-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN Cc1sc2nc(SCC(=O)NCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000000907492 555582068 /nfs/dbraw/zinc/58/20/68/555582068.db2.gz LCUKDIPUBCGSLT-UHFFFAOYSA-N 0 0 435.574 4.473 50 0 IIAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000000910830 555582583 /nfs/dbraw/zinc/58/25/83/555582583.db2.gz KRJRHQQIGQWFAZ-GMMLXXJASA-N 0 0 437.495 4.225 50 0 IIAARN COc1ccccc1N1C(=O)c2ccc(-c3nc4cc(Cl)ccc4c(=O)o3)cc2C1=O ZINC000000968964 555591206 /nfs/dbraw/zinc/59/12/06/555591206.db2.gz GXQNMOSWFBUCRE-UHFFFAOYSA-N 0 0 432.819 4.318 50 0 IIAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(Br)cc1 ZINC000000974456 555592097 /nfs/dbraw/zinc/59/20/97/555592097.db2.gz RKIDSEVOUUXMTC-UHFFFAOYSA-N 0 0 447.244 4.418 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c(Br)c1 ZINC000000976224 555592330 /nfs/dbraw/zinc/59/23/30/555592330.db2.gz MHMBYEPWGYLVPR-UHFFFAOYSA-N 0 0 431.359 4.208 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)cc1OC)Nc1ccccc1-2 ZINC000000996342 555598678 /nfs/dbraw/zinc/59/86/78/555598678.db2.gz IAVCKVGDSHUADN-LJQANCHMSA-N 0 0 426.498 4.180 50 0 IIAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290500 555601106 /nfs/dbraw/zinc/60/11/06/555601106.db2.gz XKKPPXGNQWJWFO-SFHVURJKSA-N 0 0 430.508 4.308 50 0 IIAARN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O)Nc1ccccc1F ZINC000001011468 555601895 /nfs/dbraw/zinc/60/18/95/555601895.db2.gz FFQSUYRXCOVPQD-ATVHPVEESA-N 0 0 429.473 4.084 50 0 IIAARN COc1c(Cl)cc(Br)c(OC)c1C(=O)NC(=O)Nc1c(F)cccc1F ZINC000001031383 555606015 /nfs/dbraw/zinc/60/60/15/555606015.db2.gz FASJBTGVFOGDSS-UHFFFAOYSA-N 0 0 449.635 4.360 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(COc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000001049113 555612463 /nfs/dbraw/zinc/61/24/63/555612463.db2.gz NOBSEDNGWSSLKO-AWEZNQCLSA-N 0 0 442.928 4.071 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000001050943 555612980 /nfs/dbraw/zinc/61/29/80/555612980.db2.gz MXIIPCDNRCUFFE-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000001058272 555615133 /nfs/dbraw/zinc/61/51/33/555615133.db2.gz BOQZPNUTCZJBFC-UHFFFAOYSA-N 0 0 446.550 4.308 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccco2)cc1 ZINC000001057995 555615152 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C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000001073736 555622845 /nfs/dbraw/zinc/62/28/45/555622845.db2.gz LGZNFBJQPHHABD-XCLFUZPHSA-N 0 0 426.314 4.357 50 0 IIAARN C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)[C@H]1CCCO1 ZINC000001073727 555622949 /nfs/dbraw/zinc/62/29/49/555622949.db2.gz LGZNFBJQPHHABD-RNODOKPDSA-N 0 0 426.314 4.357 50 0 IIAARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)s1 ZINC000001074122 555623224 /nfs/dbraw/zinc/62/32/24/555623224.db2.gz KQQHBKOBOBDIJR-UHFFFAOYSA-N 0 0 429.549 4.278 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001079446 555625536 /nfs/dbraw/zinc/62/55/36/555625536.db2.gz KPVLDIVBMGZINQ-UHFFFAOYSA-N 0 0 438.505 4.225 50 0 IIAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000001088225 555627002 /nfs/dbraw/zinc/62/70/02/555627002.db2.gz DESXESPVSUWJFS-UHFFFAOYSA-N 0 0 432.501 4.378 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cc(Cl)ccc2C)cc1 ZINC000001099354 555628512 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COc1ccccc1-c1nc2c3ccccc3nc(SCC(=O)Nc3nccs3)n2n1 ZINC000009420578 556289191 /nfs/dbraw/zinc/28/91/91/556289191.db2.gz JTWVLLQKZOBSGC-UHFFFAOYSA-N 0 0 448.533 4.140 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1 ZINC000013725508 556292504 /nfs/dbraw/zinc/29/25/04/556292504.db2.gz WSSSTLLFNRPHJR-UHFFFAOYSA-N 0 0 440.565 4.453 50 0 IIAARN COc1cc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc(OC)c1OC ZINC000009457925 556292800 /nfs/dbraw/zinc/29/28/00/556292800.db2.gz FTCZBLMGZDEGHG-UHFFFAOYSA-N 0 0 432.505 4.482 50 0 IIAARN O=C(/C=C/c1ccc2ccccc2n1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000009466131 556293484 /nfs/dbraw/zinc/29/34/84/556293484.db2.gz AYCVNOQPDASAPK-IVCLMZBLSA-N 0 0 447.491 4.240 50 0 IIAARN Brc1ccc(OCc2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 ZINC000009531979 556297357 /nfs/dbraw/zinc/29/73/57/556297357.db2.gz SHHLPSUGRVAIMS-OAHLLOKOSA-N 0 0 445.298 4.040 50 0 IIAARN O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N[C@H](CO)c1ccccc1 ZINC000013735523 556297472 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IIAARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)CC1=O ZINC000009668515 556305161 /nfs/dbraw/zinc/30/51/61/556305161.db2.gz YUCJBVDNROTPOB-OAQYLSRUSA-N 0 0 441.531 4.259 50 0 IIAARN O=C(Nc1cc(NC(=O)[C@H]2CCCO2)cc(-c2nc3ccccc3s2)c1)[C@H]1CCCO1 ZINC000009668162 556305190 /nfs/dbraw/zinc/30/51/90/556305190.db2.gz WQCCJIULDDSDAQ-RTBURBONSA-N 0 0 437.521 4.198 50 0 IIAARN COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c1 ZINC000009763581 556308625 /nfs/dbraw/zinc/30/86/25/556308625.db2.gz HCIZDTCHEGPTPI-UHFFFAOYSA-N 0 0 446.528 4.437 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCCCC2)c2ccccc23)cc1 ZINC000009829970 556310008 /nfs/dbraw/zinc/31/00/08/556310008.db2.gz YEPXEQUWLHJVSG-UHFFFAOYSA-N 0 0 435.553 4.417 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3ncccc3c2=O)cc1 ZINC000009830315 556310695 /nfs/dbraw/zinc/31/06/95/556310695.db2.gz ODCLIMMJAPNDOT-UHFFFAOYSA-N 0 0 448.523 4.327 50 0 IIAARN CCOc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009845872 556313178 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IIAARN CCCC[C@H](C(=O)OCCC)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857923 556321712 /nfs/dbraw/zinc/32/17/12/556321712.db2.gz FSKALXHCHZICHX-KQGPZRGRSA-N 0 0 431.532 4.391 50 0 IIAARN Cc1cccc2sc(NC(=O)COCC(=O)Nc3nc4c(cccc4C)s3)nc21 ZINC000032753157 556322014 /nfs/dbraw/zinc/32/20/14/556322014.db2.gz ANINHKPFJFNYGP-UHFFFAOYSA-N 0 0 426.523 4.117 50 0 IIAARN CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1ccc(Cl)s1 ZINC000032753346 556322566 /nfs/dbraw/zinc/32/25/66/556322566.db2.gz CWEPITYALYDKEB-UHFFFAOYSA-N 0 0 431.945 4.019 50 0 IIAARN O=C(C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1cc(Cl)ccc1Cl ZINC000010059355 556324040 /nfs/dbraw/zinc/32/40/40/556324040.db2.gz CCLKEZHWCLLTNV-MRXNPFEDSA-N 0 0 437.304 4.269 50 0 IIAARN Cc1cc(C)nc(Sc2nc(NC(C)(C)C)nc(Sc3nc(C)cc(C)n3)n2)n1 ZINC000013897933 556330202 /nfs/dbraw/zinc/33/02/02/556330202.db2.gz PCHWTHIHVADWIO-UHFFFAOYSA-N 0 0 428.591 4.198 50 0 IIAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032768995 556333526 /nfs/dbraw/zinc/33/35/26/556333526.db2.gz QCRQSKHKQRHBMW-FQEVSTJZSA-N 0 0 449.473 4.011 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)cc1 ZINC000013936367 556336377 /nfs/dbraw/zinc/33/63/77/556336377.db2.gz RSSOCPKSJOHCLZ-UHFFFAOYSA-N 0 0 431.514 4.444 50 0 IIAARN COc1ccc(OC)c(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000011661031 556342852 /nfs/dbraw/zinc/34/28/52/556342852.db2.gz HREOERVJOYACMR-OAQYLSRUSA-N 0 0 437.515 4.401 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4c(Cl)cccc4Cl)c3)c12 ZINC000013960940 556348382 /nfs/dbraw/zinc/34/83/82/556348382.db2.gz YDZYLCAWEXHEHW-UHFFFAOYSA-N 0 0 429.311 4.389 50 0 IIAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3c(F)ccc(F)c3F)CC2)c1 ZINC000011753670 556348811 /nfs/dbraw/zinc/34/88/11/556348811.db2.gz FAABZJCJVMIYRV-UHFFFAOYSA-N 0 0 448.485 4.392 50 0 IIAARN Cc1cc(NC(=O)CCS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)no1 ZINC000032778798 556351781 /nfs/dbraw/zinc/35/17/81/556351781.db2.gz MMUXMPJVEPLCCS-LLVKDONJSA-N 0 0 430.511 4.364 50 0 IIAARN CCOC(=O)C(C(=O)OCC)[C@H](NC(=O)OCc1ccccc1)c1cccc(Cl)c1 ZINC000014007403 556353763 /nfs/dbraw/zinc/35/37/63/556353763.db2.gz PIGBEJLRNMTWIW-LJQANCHMSA-N 0 0 433.888 4.050 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC(N)=O)c3ccccc3)cc12 ZINC000014018593 556356233 /nfs/dbraw/zinc/35/62/33/556356233.db2.gz YBQHBQCBIMLAKL-UHFFFAOYSA-N 0 0 438.940 4.240 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(I)cc2)c(OC)c1 ZINC000014018615 556356262 /nfs/dbraw/zinc/35/62/62/556356262.db2.gz ZIUIIAUCPQIREQ-QGZVFWFLSA-N 0 0 437.277 4.286 50 0 IIAARN CC(C)c1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 ZINC000014019516 556356265 /nfs/dbraw/zinc/35/62/65/556356265.db2.gz CXKOIUOFKUQKKL-HXUWFJFHSA-N 0 0 429.480 4.004 50 0 IIAARN CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2CCCCCC2)n1Cc1ccccc1)N(C)C ZINC000014022758 556357111 /nfs/dbraw/zinc/35/71/11/556357111.db2.gz YTJKJPNONQZPBB-ICSRJNTNSA-N 0 0 429.634 4.222 50 0 IIAARN Cc1cccc(OC2CCN(C(=O)c3cn(Cc4ccc(F)cc4Cl)nn3)CC2)c1 ZINC000011813893 556357240 /nfs/dbraw/zinc/35/72/40/556357240.db2.gz KGMJWECOVRLGSA-UHFFFAOYSA-N 0 0 428.895 4.111 50 0 IIAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000011816333 556359191 /nfs/dbraw/zinc/35/91/91/556359191.db2.gz SZEKNYXLJWEPFU-UHFFFAOYSA-N 0 0 438.553 4.245 50 0 IIAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000011816869 556359512 /nfs/dbraw/zinc/35/95/12/556359512.db2.gz FPXNISHDZAFLMA-FQEVSTJZSA-N 0 0 436.527 4.235 50 0 IIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000014068560 556359937 /nfs/dbraw/zinc/35/99/37/556359937.db2.gz SLPWOPCIJYJVOD-UHFFFAOYSA-N 0 0 437.550 4.212 50 0 IIAARN Cc1cc(N2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)nc(C(C)C)n1 ZINC000032797359 556363982 /nfs/dbraw/zinc/36/39/82/556363982.db2.gz ANYZEOLLWCSLPJ-UHFFFAOYSA-N 0 0 441.576 4.405 50 0 IIAARN CCc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)o1 ZINC000011841075 556365046 /nfs/dbraw/zinc/36/50/46/556365046.db2.gz RLBYNJFSMLKMJL-KRWDZBQOSA-N 0 0 435.549 4.097 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000014094074 556366132 /nfs/dbraw/zinc/36/61/32/556366132.db2.gz PWUVBXRRHIHOGT-HSZRJFAPSA-N 0 0 431.492 4.154 50 0 IIAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000014095413 556367182 /nfs/dbraw/zinc/36/71/82/556367182.db2.gz GQNDWKZMVVISPO-HXUWFJFHSA-N 0 0 436.533 4.496 50 0 IIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000032808651 556369120 /nfs/dbraw/zinc/36/91/20/556369120.db2.gz FZGHOMFQFQMBLZ-UHFFFAOYSA-N 0 0 444.457 4.100 50 0 IIAARN Cn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccncc1 ZINC000014114086 556370631 /nfs/dbraw/zinc/37/06/31/556370631.db2.gz NQUFDEBAILKEAZ-UHFFFAOYSA-N 0 0 439.560 4.470 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000011879996 556372143 /nfs/dbraw/zinc/37/21/43/556372143.db2.gz XAONZBQDTUUPAL-UHFFFAOYSA-N 0 0 440.548 4.215 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000014142338 556377296 /nfs/dbraw/zinc/37/72/96/556377296.db2.gz MKZXYVHDCFGPMC-FQEVSTJZSA-N 0 0 425.414 4.218 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000011935792 556378349 /nfs/dbraw/zinc/37/83/49/556378349.db2.gz UGBHAOAPQBJBNI-NRFANRHFSA-N 0 0 431.945 4.077 50 0 IIAARN O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1 ZINC000011950586 556380292 /nfs/dbraw/zinc/38/02/92/556380292.db2.gz DWHCAJWPDBRSTF-UHFFFAOYSA-N 0 0 432.948 4.141 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000014171803 556381935 /nfs/dbraw/zinc/38/19/35/556381935.db2.gz RWSDJJXSOOFDEQ-QFIPXVFZSA-N 0 0 440.971 4.383 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000014171801 556381973 /nfs/dbraw/zinc/38/19/73/556381973.db2.gz RWSDJJXSOOFDEQ-JOCHJYFZSA-N 0 0 440.971 4.383 50 0 IIAARN Cc1ccc(C(O)=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000011990768 556383817 /nfs/dbraw/zinc/38/38/17/556383817.db2.gz IJKODCHCMJFGAX-DAYGRLMNSA-N 0 0 447.240 4.406 50 0 IIAARN O=C(NCCc1ccccc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014184161 556384036 /nfs/dbraw/zinc/38/40/36/556384036.db2.gz FOMDYMUETLBTTL-UHFFFAOYSA-N 0 0 426.870 4.218 50 0 IIAARN O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000014186307 556386040 /nfs/dbraw/zinc/38/60/40/556386040.db2.gz YLQRGBLDZVKKQM-UHFFFAOYSA-N 0 0 426.810 4.376 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000014188431 556386969 /nfs/dbraw/zinc/38/69/69/556386969.db2.gz AYBUYIKWZVHWRM-KRWDZBQOSA-N 0 0 442.002 4.085 50 0 IIAARN CN(CCOc1cccc(Cl)c1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014189173 556387239 /nfs/dbraw/zinc/38/72/39/556387239.db2.gz JXVWFOPQZMHKBT-UHFFFAOYSA-N 0 0 447.922 4.249 50 0 IIAARN COc1cc(OC)c(OC)cc1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000014198576 556390036 /nfs/dbraw/zinc/39/00/36/556390036.db2.gz GYFXEYVCCRVWJE-UHFFFAOYSA-N 0 0 434.851 4.398 50 0 IIAARN COc1cccc(CNc2ncnc3sc(C(=O)NC4CCCC4)c(C)c32)c1OC ZINC000012048234 556391691 /nfs/dbraw/zinc/39/16/91/556391691.db2.gz UKVOXRFSCBUVPC-UHFFFAOYSA-N 0 0 426.542 4.301 50 0 IIAARN C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccc(F)cc1F ZINC000014231869 556398264 /nfs/dbraw/zinc/39/82/64/556398264.db2.gz CKCBYHQINUQVDC-VIFPVBQESA-N 0 0 449.306 4.203 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C1 ZINC000014242837 556403486 /nfs/dbraw/zinc/40/34/86/556403486.db2.gz BMVIDWUHLWUVNS-ROUUACIJSA-N 0 0 444.622 4.496 50 0 IIAARN COc1ccc([C@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC ZINC000032578805 556405761 /nfs/dbraw/zinc/40/57/61/556405761.db2.gz YKCSBUMGRZHYHW-HNNXBMFYSA-N 0 0 425.485 4.133 50 0 IIAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(F)c(F)c1 ZINC000014245970 556405814 /nfs/dbraw/zinc/40/58/14/556405814.db2.gz BXBHVRIDTWDZQL-CYBMUJFWSA-N 0 0 442.915 4.284 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000014249390 556408407 /nfs/dbraw/zinc/40/84/07/556408407.db2.gz WBKYRXIDHWLUMU-UHFFFAOYSA-N 0 0 449.532 4.113 50 0 IIAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000014272955 556411411 /nfs/dbraw/zinc/41/14/11/556411411.db2.gz CKOZZJGWWMZJKK-UHFFFAOYSA-N 0 0 449.166 4.334 50 0 IIAARN Cc1sc2nc(SCc3cc(=O)n4c5ccccc5sc4n3)n(C)c(=O)c2c1C ZINC000032670088 556414150 /nfs/dbraw/zinc/41/41/50/556414150.db2.gz XLLXJFRETRRURL-UHFFFAOYSA-N 0 0 440.575 4.127 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032671998 556414490 /nfs/dbraw/zinc/41/44/90/556414490.db2.gz HMHMXPSGMQCLMG-HNNXBMFYSA-N 0 0 437.506 4.256 50 0 IIAARN CCCn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c2ccccc2c1=O ZINC000032678937 556416215 /nfs/dbraw/zinc/41/62/15/556416215.db2.gz NBLGKEFXFZUSRL-UHFFFAOYSA-N 0 0 433.508 4.120 50 0 IIAARN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O ZINC000012942038 556417087 /nfs/dbraw/zinc/41/70/87/556417087.db2.gz VRBYNBCUUPVUPJ-SJORKVTESA-N 0 0 435.549 4.064 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccnc2Oc2ccccc2)ccc1C ZINC000032666199 556417507 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IIAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000032975613 556600148 /nfs/dbraw/zinc/60/01/48/556600148.db2.gz BHRGZTKLUQMXFY-WOJBJXKFSA-N 0 0 440.565 4.088 50 0 IIAARN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)NCc2ccco2)cc1 ZINC000016345866 556601448 /nfs/dbraw/zinc/60/14/48/556601448.db2.gz BCTXPBXUADEYOI-UHFFFAOYSA-N 0 0 445.610 4.013 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(Cl)cc4)ncn3)CC2)cc1 ZINC000037284990 556601469 /nfs/dbraw/zinc/60/14/69/556601469.db2.gz SQUIIDFQSXKREN-UHFFFAOYSA-N 0 0 439.903 4.285 50 0 IIAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)cc1 ZINC000032984096 556603295 /nfs/dbraw/zinc/60/32/95/556603295.db2.gz WPKQPQNVNGELQY-LFVJCYFKSA-N 0 0 428.488 4.430 50 0 IIAARN COc1ccc(N2C(=O)C[C@H](N(CCc3cccs3)C(=O)Nc3ccccc3)C2=O)cc1 ZINC000016382848 556604019 /nfs/dbraw/zinc/60/40/19/556604019.db2.gz BTPGMIPDVXQJJH-NRFANRHFSA-N 0 0 449.532 4.165 50 0 IIAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000016400450 556605497 /nfs/dbraw/zinc/60/54/97/556605497.db2.gz IPFSZURHMBFYKL-UHFFFAOYSA-N 0 0 445.324 4.047 50 0 IIAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCCN3CCOCC3)cc21 ZINC000032986719 556606503 /nfs/dbraw/zinc/60/65/03/556606503.db2.gz UXMBDHMFAZQQJI-UHFFFAOYSA-N 0 0 433.552 4.061 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCc2ccccc2Cl)s1 ZINC000032987292 556607210 /nfs/dbraw/zinc/60/72/10/556607210.db2.gz MGGWVSVZGNRXQV-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccc1F ZINC000032995234 556610435 /nfs/dbraw/zinc/61/04/35/556610435.db2.gz MEGINBCPORBOJW-UHFFFAOYSA-N 0 0 432.908 4.222 50 0 IIAARN O=C(CSc1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)n1)c1ccccc1 ZINC000016476598 556610627 /nfs/dbraw/zinc/61/06/27/556610627.db2.gz ANKNXHBVLYMGAW-UHFFFAOYSA-N 0 0 442.426 4.113 50 0 IIAARN Cc1c(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022970956 556610673 /nfs/dbraw/zinc/61/06/73/556610673.db2.gz SVZLQDUHLLXDBP-QGZVFWFLSA-N 0 0 432.634 4.082 50 0 IIAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(Cl)cc2)c3=O)cc1 ZINC000038487068 556612872 /nfs/dbraw/zinc/61/28/72/556612872.db2.gz GEKXSTWTSNOUIJ-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(C)cccc3Cl)n2)ccc1C ZINC000016626876 556618959 /nfs/dbraw/zinc/61/89/59/556618959.db2.gz FJRJFRZBTWJPQF-HNNXBMFYSA-N 0 0 438.915 4.339 50 0 IIAARN CCOc1ccccc1C(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C ZINC000004998627 556619422 /nfs/dbraw/zinc/61/94/22/556619422.db2.gz ACZMLPJLWHPBRP-UHFFFAOYSA-N 0 0 425.485 4.203 50 0 IIAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(OCC)cc3)n2N)cc1 ZINC000005025922 556622566 /nfs/dbraw/zinc/62/25/66/556622566.db2.gz UHZYNNZESHTJNW-UHFFFAOYSA-N 0 0 425.558 4.131 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)sc2c1 ZINC000016680350 556623796 /nfs/dbraw/zinc/62/37/96/556623796.db2.gz JOSDHJWMXGZOJQ-UHFFFAOYSA-N 0 0 447.538 4.144 50 0 IIAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005047368 556627086 /nfs/dbraw/zinc/62/70/86/556627086.db2.gz LUNKFHIDRGRQJU-SYZXBLONSA-N 0 0 427.566 4.048 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(N[C@@H](C)CC)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000039344767 556627618 /nfs/dbraw/zinc/62/76/18/556627618.db2.gz RPASXPGIJORXDD-VYDXJSESSA-N 0 0 430.549 4.197 50 0 IIAARN O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NC[C@H]1OCCc2ccccc21 ZINC000039356962 556627948 /nfs/dbraw/zinc/62/79/48/556627948.db2.gz OBZXAGHFOPRKEZ-FTJBHMTQSA-N 0 0 446.522 4.192 50 0 IIAARN CCCn1c(=O)[nH]nc1SCc1csc(-c2cc(Br)ccc2OC)n1 ZINC000016699285 556629207 /nfs/dbraw/zinc/62/92/07/556629207.db2.gz DRVOXEGBLCHKQS-UHFFFAOYSA-N 0 0 441.376 4.168 50 0 IIAARN O=C(NC1CCCCCCC1)[C@H]1c2cccn2CC(=O)N1CCc1ccc(Cl)cc1 ZINC000005063654 556629885 /nfs/dbraw/zinc/62/98/85/556629885.db2.gz ZYTGGURLFPALFN-HSZRJFAPSA-N 0 0 427.976 4.497 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000097938727 556635225 /nfs/dbraw/zinc/63/52/25/556635225.db2.gz CUWFTVCGCLCHLF-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN CCc1nn2c(nnc3c2ccn(CCc2c[nH]c4ccccc24)c3=O)c1-c1ccccc1 ZINC000040388402 556636394 /nfs/dbraw/zinc/63/63/94/556636394.db2.gz YDXASVRQJVXNEQ-UHFFFAOYSA-N 0 0 434.503 4.393 50 0 IIAARN CCCCOc1cccc(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005111278 556636640 /nfs/dbraw/zinc/63/66/40/556636640.db2.gz ZDBYKPPWXWADHJ-JOCHJYFZSA-N 0 0 429.582 4.257 50 0 IIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016750032 556636840 /nfs/dbraw/zinc/63/68/40/556636840.db2.gz LVVSISBIDMVDNC-GOSISDBHSA-N 0 0 429.513 4.327 50 0 IIAARN COCc1nn2c(nnc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040392128 556638093 /nfs/dbraw/zinc/63/80/93/556638093.db2.gz CBBOEFIETQQWLL-UHFFFAOYSA-N 0 0 449.873 4.093 50 0 IIAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](CC)Oc2ccccc2F)cc1OCC ZINC000016753007 556638195 /nfs/dbraw/zinc/63/81/95/556638195.db2.gz RAGHFEOQLULXLG-MRXNPFEDSA-N 0 0 429.448 4.469 50 0 IIAARN COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713813 556643567 /nfs/dbraw/zinc/64/35/67/556643567.db2.gz ZWXXSYHASSCTSX-SFHVURJKSA-N 0 0 425.485 4.108 50 0 IIAARN O=C(OCCOc1c(Br)cc(Br)c2cccnc21)C1CCC1 ZINC000071820779 556644933 /nfs/dbraw/zinc/64/49/33/556644933.db2.gz SJSNITTTZWBYNU-UHFFFAOYSA-N 0 0 429.108 4.482 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C ZINC000016840874 556645856 /nfs/dbraw/zinc/64/58/56/556645856.db2.gz UEFCFEMQWYHGCQ-UHFFFAOYSA-N 0 0 434.521 4.058 50 0 IIAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037602593 556646677 /nfs/dbraw/zinc/64/66/77/556646677.db2.gz GURODZFCDJOTGZ-ZEQRLZLVSA-N 0 0 438.543 4.392 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NCC3CC3)cc2[C@@H]1c1cccc(F)c1 ZINC000037603012 556646695 /nfs/dbraw/zinc/64/66/95/556646695.db2.gz ZJUIPARNEPSMKK-NOZRDPDXSA-N 0 0 438.543 4.393 50 0 IIAARN CCn1c(SCC(=O)NCc2ccco2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846171 556647082 /nfs/dbraw/zinc/64/70/82/556647082.db2.gz DSJHIUUQXCESFB-UHFFFAOYSA-N 0 0 439.562 4.455 50 0 IIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726572 556647341 /nfs/dbraw/zinc/64/73/41/556647341.db2.gz SELWGFBGIWPZBW-CQSZACIVSA-N 0 0 441.553 4.198 50 0 IIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)=O)cc4)nccn3n2)cc1 ZINC000016890714 556648167 /nfs/dbraw/zinc/64/81/67/556648167.db2.gz HPGLECDIKDMPFR-UHFFFAOYSA-N 0 0 432.505 4.338 50 0 IIAARN COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000016884372 556648206 /nfs/dbraw/zinc/64/82/06/556648206.db2.gz YLNDVWVASVALNQ-IBGZPJMESA-N 0 0 432.520 4.026 50 0 IIAARN COc1ccc(OC)c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899418 556648502 /nfs/dbraw/zinc/64/85/02/556648502.db2.gz HVUGDPAYEDHNLU-INIZCTEOSA-N 0 0 426.416 4.164 50 0 IIAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1ccc(F)cc1 ZINC000016903261 556648815 /nfs/dbraw/zinc/64/88/15/556648815.db2.gz BQBYDFNTSZDOCM-NQIIRXRSSA-N 0 0 445.494 4.136 50 0 IIAARN Fc1ccccc1Cn1nnc2c1ncnc2SCc1ccc(Br)cc1 ZINC000011758548 556653135 /nfs/dbraw/zinc/65/31/35/556653135.db2.gz UPELBROHHWXUPV-UHFFFAOYSA-N 0 0 430.306 4.464 50 0 IIAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1cccc(C(F)(F)F)c1 ZINC000038770847 556653924 /nfs/dbraw/zinc/65/39/24/556653924.db2.gz MFJJDSHVFJEDLQ-UHFFFAOYSA-N 0 0 445.426 4.247 50 0 IIAARN COc1ccc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c(OC)c1 ZINC000038914293 556654133 /nfs/dbraw/zinc/65/41/33/556654133.db2.gz YSPQWOWXDPKDQO-ZDUSSCGKSA-N 0 0 444.285 4.037 50 0 IIAARN COC(=O)c1sccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000017051677 556654404 /nfs/dbraw/zinc/65/44/04/556654404.db2.gz MRONLOCYLMIRFL-UHFFFAOYSA-N 0 0 438.534 4.284 50 0 IIAARN CC(C)c1cccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(C(N)=O)cc4)cs3)CC2=O)c1 ZINC000032925885 556655179 /nfs/dbraw/zinc/65/51/79/556655179.db2.gz OMVXNOCKOMYONG-GOSISDBHSA-N 0 0 448.548 4.024 50 0 IIAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cccc(Cl)c3)cc2OC)s1 ZINC000033007898 556656817 /nfs/dbraw/zinc/65/68/17/556656817.db2.gz DHEWUAUSJCYROK-UHFFFAOYSA-N 0 0 425.919 4.108 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000033011695 556659571 /nfs/dbraw/zinc/65/95/71/556659571.db2.gz LKTRZZKARBYMSO-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN O=C(NCCC1=CCCCC1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033012123 556660895 /nfs/dbraw/zinc/66/08/95/556660895.db2.gz SIECXLMARYXGST-UHFFFAOYSA-N 0 0 426.520 4.318 50 0 IIAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4OC)c3)n2)cc1 ZINC000033012389 556661068 /nfs/dbraw/zinc/66/10/68/556661068.db2.gz ABRCHQHGEGRCHH-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CN1C[C@H](c2ccccc2Cl)[C@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000248080316 556661134 /nfs/dbraw/zinc/66/11/34/556661134.db2.gz OXKPSTZIEWTELD-JSRBVGTNSA-N 0 0 444.918 4.478 50 0 IIAARN Cc1nccnc1-c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 ZINC000043206947 556661457 /nfs/dbraw/zinc/66/14/57/556661457.db2.gz OURCOVUGQRXRTE-CQSZACIVSA-N 0 0 430.430 4.208 50 0 IIAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NCCc1ccccc1 ZINC000033013184 556662586 /nfs/dbraw/zinc/66/25/86/556662586.db2.gz DZQZIDLWJUZTER-UHFFFAOYSA-N 0 0 443.503 4.458 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013826 556663827 /nfs/dbraw/zinc/66/38/27/556663827.db2.gz FSAHFGDJQDPLSV-MRXNPFEDSA-N 0 0 446.507 4.095 50 0 IIAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3C(C)C)n2)c1 ZINC000033014317 556664362 /nfs/dbraw/zinc/66/43/62/556664362.db2.gz HQRQLHARSCXEKD-UHFFFAOYSA-N 0 0 433.537 4.325 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 ZINC000033014319 556664390 /nfs/dbraw/zinc/66/43/90/556664390.db2.gz HHZGVGOTONWKPQ-UHFFFAOYSA-N 0 0 437.500 4.156 50 0 IIAARN CCc1ccc(CNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)cc1 ZINC000033018611 556665449 /nfs/dbraw/zinc/66/54/49/556665449.db2.gz MYRZXSSVMFZAJJ-UHFFFAOYSA-N 0 0 436.515 4.190 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248130867 556668354 /nfs/dbraw/zinc/66/83/54/556668354.db2.gz QHOPQLKMXPJACK-APWZRJJASA-N 0 0 437.565 4.424 50 0 IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000017146190 556669929 /nfs/dbraw/zinc/66/99/29/556669929.db2.gz CLWBWRGBGCAKRW-UQXVNGHOSA-N 0 0 429.903 4.272 50 0 IIAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000100792893 556673260 /nfs/dbraw/zinc/67/32/60/556673260.db2.gz KRJJAEBFQVYOKT-BQFCYCMXSA-N 0 0 436.726 4.182 50 0 IIAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017271151 556674523 /nfs/dbraw/zinc/67/45/23/556674523.db2.gz OXYZRUAVDRGZKM-SFHVURJKSA-N 0 0 443.569 4.454 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000011918461 556674652 /nfs/dbraw/zinc/67/46/52/556674652.db2.gz MKOIYYWGSDSDLQ-OAHLLOKOSA-N 0 0 431.916 4.449 50 0 IIAARN O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cccc2nsnc21 ZINC000032932742 556675928 /nfs/dbraw/zinc/67/59/28/556675928.db2.gz OLSLDIUBSWVWKQ-UHFFFAOYSA-N 0 0 427.873 4.241 50 0 IIAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2nc(NCc3ccccc3)ncc2Cl)cc1 ZINC000032933279 556676586 /nfs/dbraw/zinc/67/65/86/556676586.db2.gz VWNPQUGEINMJBP-HNNXBMFYSA-N 0 0 438.915 4.489 50 0 IIAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)COc4ccccc4Cl)n3)cc2N(C)C1=O ZINC000011970175 556677594 /nfs/dbraw/zinc/67/75/94/556677594.db2.gz DEZAGTGTUCXPHR-GFCCVEGCSA-N 0 0 443.912 4.225 50 0 IIAARN CC(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000032935073 556677925 /nfs/dbraw/zinc/67/79/25/556677925.db2.gz BDRVGDVLPQPRDD-QHCPKHFHSA-N 0 0 437.496 4.324 50 0 IIAARN CCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325820 556680493 /nfs/dbraw/zinc/68/04/93/556680493.db2.gz SQMUYXVIPUCHGD-OAQYLSRUSA-N 0 0 437.565 4.341 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000017987425 556680907 /nfs/dbraw/zinc/68/09/07/556680907.db2.gz AIWGOEJULZBORK-HDICACEKSA-N 0 0 428.282 4.348 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000017987458 556680961 /nfs/dbraw/zinc/68/09/61/556680961.db2.gz DUULKVGZNXDICI-QZTJIDSGSA-N 0 0 426.266 4.124 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000017988112 556681125 /nfs/dbraw/zinc/68/11/25/556681125.db2.gz WCPCXJDWGDEQRA-HDICACEKSA-N 0 0 427.298 4.381 50 0 IIAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2c(cccc2Br)s1 ZINC000010621098 556682497 /nfs/dbraw/zinc/68/24/97/556682497.db2.gz HEIVDVNYHBSXAM-UHFFFAOYSA-N 0 0 439.356 4.002 50 0 IIAARN Nc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)s1 ZINC000097655608 556687533 /nfs/dbraw/zinc/68/75/33/556687533.db2.gz NJSRVENLYOCNJJ-PDHWYABUSA-N 0 0 441.538 4.222 50 0 IIAARN O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000046005157 556689321 /nfs/dbraw/zinc/68/93/21/556689321.db2.gz GCIFCBVHIKJZLN-UHFFFAOYSA-N 0 0 446.816 4.474 50 0 IIAARN Cc1cc(N2CCN(CC[S@](=O)c3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1 ZINC000032937551 556690050 /nfs/dbraw/zinc/69/00/50/556690050.db2.gz QKJJMDZXGMBZJN-MUUNZHRXSA-N 0 0 441.428 4.145 50 0 IIAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000046006609 556690622 /nfs/dbraw/zinc/69/06/22/556690622.db2.gz ZQFGPJZTVDUFJG-UHFFFAOYSA-N 0 0 444.491 4.346 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c(C(F)(F)F)c1 ZINC000010641422 556690906 /nfs/dbraw/zinc/69/09/06/556690906.db2.gz ZGBZPUZPSPJXIY-UHFFFAOYSA-N 0 0 441.793 4.254 50 0 IIAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCCc1cccs1 ZINC000046141294 556692534 /nfs/dbraw/zinc/69/25/34/556692534.db2.gz WBVWEBLOKIRUHV-UHFFFAOYSA-N 0 0 431.564 4.356 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3c(-c4ccccc4)nnn3c3ccccc3c2=O)c(Cl)c1 ZINC000067240749 556699985 /nfs/dbraw/zinc/69/99/85/556699985.db2.gz VZDDQMJKTABJIC-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000019145275 556706782 /nfs/dbraw/zinc/70/67/82/556706782.db2.gz IJWOOAPFCSHPMB-XMMPIXPASA-N 0 0 436.581 4.002 50 0 IIAARN 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556763473 /nfs/dbraw/zinc/76/34/73/556763473.db2.gz SSOSKNYECBFUBJ-NSHDSACASA-N 0 0 425.407 4.405 50 0 IIAARN Cc1nn(C)c(C)c1CN(C(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000061997078 556763541 /nfs/dbraw/zinc/76/35/41/556763541.db2.gz PJJVAUWCRNBMEZ-UHFFFAOYSA-N 0 0 428.330 4.412 50 0 IIAARN COc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1NC(=O)c1cccc(F)c1 ZINC000058158833 556763549 /nfs/dbraw/zinc/76/35/49/556763549.db2.gz UPYGSIKKIKZZTG-FPOVZHCZSA-N 0 0 427.476 4.262 50 0 IIAARN COc1ccccc1C(=O)N1CCCN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000058166688 556766819 /nfs/dbraw/zinc/76/68/19/556766819.db2.gz OOGDWSAQXJYEMS-UHFFFAOYSA-N 0 0 434.580 4.399 50 0 IIAARN Cc1cc(C(=O)CN2CCC[C@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176692 556769711 /nfs/dbraw/zinc/76/97/11/556769711.db2.gz CIKWKVWWPWBXKH-QHCPKHFHSA-N 0 0 429.564 4.123 50 0 IIAARN CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2Br)c2ccccc2O1 ZINC000058193882 556770324 /nfs/dbraw/zinc/77/03/24/556770324.db2.gz PAJDRJQUDOFVSL-IBGZPJMESA-N 0 0 449.320 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IIAARN Clc1nc(N2CCCC2)sc1CN1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000064151720 556823101 /nfs/dbraw/zinc/82/31/01/556823101.db2.gz KAWQVOOCPSQSFO-INIZCTEOSA-N 0 0 434.993 4.244 50 0 IIAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCC(C)C)cc2)cc1 ZINC000064816788 556827549 /nfs/dbraw/zinc/82/75/49/556827549.db2.gz PYSNOBWKJLWVJR-UHFFFAOYSA-N 0 0 446.551 4.272 50 0 IIAARN COc1cc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)cc(OC)c1OC ZINC000064894488 556828852 /nfs/dbraw/zinc/82/88/52/556828852.db2.gz HWSVABGRKUQLDX-UHFFFAOYSA-N 0 0 448.475 4.229 50 0 IIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccccc1Cl ZINC000096545344 556829370 /nfs/dbraw/zinc/82/93/70/556829370.db2.gz VYATUDZMRHPBNZ-VZVUQDNOSA-N 0 0 432.973 4.230 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccccc3Cl)ccc21 ZINC000064983989 556829974 /nfs/dbraw/zinc/82/99/74/556829974.db2.gz SAOWCHLQXWTYAL-HXUWFJFHSA-N 0 0 448.972 4.391 50 0 IIAARN Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3cc(F)ccc3C)cc21 ZINC000065002905 556831228 /nfs/dbraw/zinc/83/12/28/556831228.db2.gz QIICFIVQEORCBH-UHFFFAOYSA-N 0 0 438.524 4.124 50 0 IIAARN O=S(=O)(NCc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1)c1ccccc1 ZINC000065005421 556832035 /nfs/dbraw/zinc/83/20/35/556832035.db2.gz RHKDCLPMGCBGFG-UHFFFAOYSA-N 0 0 425.441 4.147 50 0 IIAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000065365213 556835987 /nfs/dbraw/zinc/83/59/87/556835987.db2.gz JEDGDFOPYPZGJR-MRXNPFEDSA-N 0 0 442.445 4.064 50 0 IIAARN CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1[C@@H](C)Oc1cccc(Cl)c1 ZINC000019646745 556840724 /nfs/dbraw/zinc/84/07/24/556840724.db2.gz HRIXKUIWDLJWPV-GFCCVEGCSA-N 0 0 447.973 4.453 50 0 IIAARN O=C(CSc1ccccc1)N(CCN1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000022998267 556840797 /nfs/dbraw/zinc/84/07/97/556840797.db2.gz IKGKIUPALJTDBC-UHFFFAOYSA-N 0 0 448.013 4.407 50 0 IIAARN O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998523 556841123 /nfs/dbraw/zinc/84/11/23/556841123.db2.gz SCDHTHSYCARZPJ-UHFFFAOYSA-N 0 0 425.938 4.129 50 0 IIAARN CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000022998474 556841141 /nfs/dbraw/zinc/84/11/41/556841141.db2.gz RTCRDZAWUGYOOJ-SOFGYWHQSA-N 0 0 443.594 4.135 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC000019683816 556841704 /nfs/dbraw/zinc/84/17/04/556841704.db2.gz QHWQFFGWSZZGKZ-UHFFFAOYSA-N 0 0 447.910 4.190 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc(N2CCOCC2)n1 ZINC000067604652 556843565 /nfs/dbraw/zinc/84/35/65/556843565.db2.gz RXGZNXILTKBLMC-UHFFFAOYSA-N 0 0 442.523 4.028 50 0 IIAARN Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)n1Cc1ccccc1 ZINC000008768361 556845977 /nfs/dbraw/zinc/84/59/77/556845977.db2.gz YFFSTXLSYUBKHZ-HSZRJFAPSA-N 0 0 448.544 4.382 50 0 IIAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C=C\c1cccs1 ZINC000097674485 556846719 /nfs/dbraw/zinc/84/67/19/556846719.db2.gz YQMMEGBQGDYHHK-KAMYIIQDSA-N 0 0 435.615 4.277 50 0 IIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000033069300 556850691 /nfs/dbraw/zinc/85/06/91/556850691.db2.gz GDLCBXRYGTZYQX-UHFFFAOYSA-N 0 0 431.540 4.303 50 0 IIAARN Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)nc2c1 ZINC000033070711 556851141 /nfs/dbraw/zinc/85/11/41/556851141.db2.gz XVEDUWZEQNLYAC-FQEVSTJZSA-N 0 0 431.584 4.133 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)s1 ZINC000033078261 556853303 /nfs/dbraw/zinc/85/33/03/556853303.db2.gz UUWOWKUVNLRGQO-CQSZACIVSA-N 0 0 426.542 4.126 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088554 556857757 /nfs/dbraw/zinc/85/77/57/556857757.db2.gz ANCRNOMRJKVEOS-UHFFFAOYSA-N 0 0 437.834 4.455 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089219 556857867 /nfs/dbraw/zinc/85/78/67/556857867.db2.gz QXHAQYCBZIHSBP-GFCCVEGCSA-N 0 0 427.298 4.450 50 0 IIAARN CC(C)n1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087541 556857888 /nfs/dbraw/zinc/85/78/88/556857888.db2.gz FKXDWFPIYGPYFF-UHFFFAOYSA-N 0 0 444.582 4.157 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088565 556858065 /nfs/dbraw/zinc/85/80/65/556858065.db2.gz DLESOHITIAMMQS-UHFFFAOYSA-N 0 0 425.342 4.402 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000033106712 556859388 /nfs/dbraw/zinc/85/93/88/556859388.db2.gz FJCSSWLBQIYDNI-UHFFFAOYSA-N 0 0 426.520 4.056 50 0 IIAARN COc1ccccc1C(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106715 556859403 /nfs/dbraw/zinc/85/94/03/556859403.db2.gz QCCXRQBFTGOTTQ-UHFFFAOYSA-N 0 0 426.520 4.056 50 0 IIAARN O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000033114127 556860923 /nfs/dbraw/zinc/86/09/23/556860923.db2.gz VHRSLDRISQJPSJ-UHFFFAOYSA-N 0 0 425.489 4.341 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(Cc4ccccc4C)n3)cc2)cc1 ZINC000033122872 556864017 /nfs/dbraw/zinc/86/40/17/556864017.db2.gz NFMAEQAHTHOSJU-UHFFFAOYSA-N 0 0 435.505 4.445 50 0 IIAARN CCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019708168 556868465 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CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000033171047 556882141 /nfs/dbraw/zinc/88/21/41/556882141.db2.gz YPXXONGCRWPIEE-ZROIWOOFSA-N 0 0 425.510 4.245 50 0 IIAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000033174039 556884223 /nfs/dbraw/zinc/88/42/23/556884223.db2.gz GVOPPBFYKRNFRM-SFHVURJKSA-N 0 0 438.572 4.309 50 0 IIAARN CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)c1 ZINC000033174459 556884268 /nfs/dbraw/zinc/88/42/68/556884268.db2.gz FZCVIVWAIPCGMG-UHFFFAOYSA-N 0 0 426.498 4.020 50 0 IIAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCN(c4ccc(C)cc4)CC3)C2)s1 ZINC000033174045 556884309 /nfs/dbraw/zinc/88/43/09/556884309.db2.gz GXOFRRMGHBXGJS-HXUWFJFHSA-N 0 0 434.609 4.478 50 0 IIAARN O=C(Nc1cccc2nsnc21)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033170515 556885815 /nfs/dbraw/zinc/88/58/15/556885815.db2.gz PMZBISMQHDTKNT-UHFFFAOYSA-N 0 0 444.925 4.398 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)nc2cccnc21 ZINC000033170473 556885822 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0 IIAARN COc1ccc(C(=O)Nc2nnc(Cc3nc4ccccc4[nH]3)s2)cc1Br ZINC000033252329 556892963 /nfs/dbraw/zinc/89/29/63/556892963.db2.gz HGXNEYXDZQAKAN-UHFFFAOYSA-N 0 0 444.314 4.029 50 0 IIAARN CCNC(=O)N1CCN(c2ccc(-c3noc(/C=C/c4cccc(Cl)c4)n3)cc2)CC1 ZINC000033258360 556896141 /nfs/dbraw/zinc/89/61/41/556896141.db2.gz PUVISCJGIIVWMU-IZZDOVSWSA-N 0 0 437.931 4.412 50 0 IIAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)nn32)cc1 ZINC000033260278 556896919 /nfs/dbraw/zinc/89/69/19/556896919.db2.gz MJZCYKRMJDHDDV-IBGZPJMESA-N 0 0 440.551 4.194 50 0 IIAARN CCOc1cc(CN2CCN(Cc3cc(Br)ccc3OC)CC2)ccc1OC ZINC000019788065 556914259 /nfs/dbraw/zinc/91/42/59/556914259.db2.gz QOYKEESWWVXZEO-UHFFFAOYSA-N 0 0 449.389 4.183 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OCc1ccccc1 ZINC000019790204 556914855 /nfs/dbraw/zinc/91/48/55/556914855.db2.gz JACNKBQUWGZYHN-UHFFFAOYSA-N 0 0 434.511 4.371 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2cccs2)cc1 ZINC000019797291 556916578 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CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C(=O)CCN1CCOCC1 ZINC000019830771 556926247 /nfs/dbraw/zinc/92/62/47/556926247.db2.gz DVVNCBFMAAKHIM-UHFFFAOYSA-N 0 0 427.526 4.107 50 0 IIAARN Brc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCOCC2)cc1 ZINC000019832391 556927476 /nfs/dbraw/zinc/92/74/76/556927476.db2.gz AWMHLFAAPRKNBB-UHFFFAOYSA-N 0 0 425.330 4.051 50 0 IIAARN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 ZINC000019859828 556932123 /nfs/dbraw/zinc/93/21/23/556932123.db2.gz QVRZHKWPQFZHFQ-HNNXBMFYSA-N 0 0 439.002 4.242 50 0 IIAARN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019860899 556933342 /nfs/dbraw/zinc/93/33/42/556933342.db2.gz SDKKDBNOOUKQQK-INIZCTEOSA-N 0 0 439.002 4.242 50 0 IIAARN Cc1cc(SCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc12 ZINC000084114841 556973685 /nfs/dbraw/zinc/97/36/85/556973685.db2.gz PFQVPRFKHDVIHK-UHFFFAOYSA-N 0 0 446.498 4.398 50 0 IIAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1 ZINC000033265096 556975034 /nfs/dbraw/zinc/97/50/34/556975034.db2.gz IEHPKJJLBLRUOZ-UHFFFAOYSA-N 0 0 444.507 4.411 50 0 IIAARN CCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OCC)cc1 ZINC000020069144 556978434 /nfs/dbraw/zinc/97/84/34/556978434.db2.gz GNZXLBSCUNNIAX-WOJBJXKFSA-N 0 0 437.569 4.019 50 0 IIAARN Cc1cc(CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)no1 ZINC000020066886 556978448 /nfs/dbraw/zinc/97/84/48/556978448.db2.gz PFGQRLWZXJKMMS-UHFFFAOYSA-N 0 0 431.477 4.084 50 0 IIAARN COc1cccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)CC2)c1 ZINC000020101906 556980558 /nfs/dbraw/zinc/98/05/58/556980558.db2.gz MJPGLPVLGBNGAF-HXUWFJFHSA-N 0 0 428.536 4.033 50 0 IIAARN CCCc1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097087812 556983276 /nfs/dbraw/zinc/98/32/76/556983276.db2.gz PGGAJGILJCNKFM-GOSISDBHSA-N 0 0 436.537 4.280 50 0 IIAARN COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccccc2)c1 ZINC000097105762 556987936 /nfs/dbraw/zinc/98/79/36/556987936.db2.gz GJTRJKLDRIQRKD-QHCPKHFHSA-N 0 0 449.532 4.058 50 0 IIAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCN(Cc2ccccc2)CC1 ZINC000020137421 556988411 /nfs/dbraw/zinc/98/84/11/556988411.db2.gz YVPLVAPOPRNCBC-UHFFFAOYSA-N 0 0 426.314 4.062 50 0 IIAARN COC(=O)[C@@H](NC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1)c1ccccc1 ZINC000020149470 556990792 /nfs/dbraw/zinc/99/07/92/556990792.db2.gz PGYJYIANDNFHLP-DEOSSOPVSA-N 0 0 435.568 4.288 50 0 IIAARN CCN1c2cc(C(=O)NCc3cccc(Br)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097125595 556991053 /nfs/dbraw/zinc/99/10/53/556991053.db2.gz RHRYJCHXCTVYJN-HXUWFJFHSA-N 0 0 442.357 4.171 50 0 IIAARN O=C(CCC1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000076857438 556993584 /nfs/dbraw/zinc/99/35/84/556993584.db2.gz BFGQNUPQIGSERW-UHFFFAOYSA-N 0 0 439.987 4.321 50 0 IIAARN OC1(c2cccnc2)CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000020166522 556994114 /nfs/dbraw/zinc/99/41/14/556994114.db2.gz PTOHFKSGYOTETP-UHFFFAOYSA-N 0 0 426.520 4.128 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1)c1ccncc1 ZINC000097163925 556994166 /nfs/dbraw/zinc/99/41/66/556994166.db2.gz JNSWEVHLSAOKIL-UHFFFAOYSA-N 0 0 425.510 4.060 50 0 IIAARN CC(C)N(CC(N)=O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000097165688 556994737 /nfs/dbraw/zinc/99/47/37/556994737.db2.gz BZRVIJFJAODSCK-UHFFFAOYSA-N 0 0 438.575 4.419 50 0 IIAARN O=C(Nc1ccccc1Br)NC1(c2nc(-c3cnccn3)no2)CCCCC1 ZINC000077197515 556996771 /nfs/dbraw/zinc/99/67/71/556996771.db2.gz FSTKENSONDZRPZ-UHFFFAOYSA-N 0 0 443.305 4.270 50 0 IIAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCN1C(=O)Cc2ccccc21 ZINC000097212234 557004904 /nfs/dbraw/zinc/00/49/04/557004904.db2.gz ZQQRTLUNLSLZTC-UHFFFAOYSA-N 0 0 436.515 4.167 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000023118980 557006747 /nfs/dbraw/zinc/00/67/47/557006747.db2.gz PYLZVVQJLHTHCX-OAQYLSRUSA-N 0 0 437.492 4.461 50 0 IIAARN COc1ccc(CN2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000020324360 557007781 /nfs/dbraw/zinc/00/77/81/557007781.db2.gz VYDDEQXZHMELKQ-HSZRJFAPSA-N 0 0 443.503 4.370 50 0 IIAARN C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000011256174 557010348 /nfs/dbraw/zinc/01/03/48/557010348.db2.gz QOYROLRICFJPKW-SCLBCKFNSA-N 0 0 434.945 4.398 50 0 IIAARN CC(C)Sc1nc2sc3c(c2c(SCCN2CCOCC2)n1)CC(C)(C)OC3 ZINC000020357636 557011278 /nfs/dbraw/zinc/01/12/78/557011278.db2.gz CBSOVFOYINXOHU-UHFFFAOYSA-N 0 0 439.672 4.467 50 0 IIAARN COc1ccc(CCNc2nc(SC)nc3sc4c(c32)CCN(C)C4)cc1OC ZINC000020358300 557011760 /nfs/dbraw/zinc/01/17/60/557011760.db2.gz PEEBMBUKFNIINT-UHFFFAOYSA-N 0 0 430.599 4.073 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1cccc(Cl)c1 ZINC000045971215 557013932 /nfs/dbraw/zinc/01/39/32/557013932.db2.gz DUFIVUWZEBWZNK-UHFFFAOYSA-N 0 0 434.912 4.428 50 0 IIAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(C)c4)s3)cc(=O)n2o1 ZINC000046012540 557018836 /nfs/dbraw/zinc/01/88/36/557018836.db2.gz AYEZQRMKWLQMJO-UHFFFAOYSA-N 0 0 442.526 4.001 50 0 IIAARN CC(C)c1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 ZINC000023137257 557019460 /nfs/dbraw/zinc/01/94/60/557019460.db2.gz PNEPQABZCRNDHN-UHFFFAOYSA-N 0 0 425.554 4.250 50 0 IIAARN CC[C@@H]1CCc2sc(C(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)cc2C1 ZINC000010702144 557019636 /nfs/dbraw/zinc/01/96/36/557019636.db2.gz HFFOVXUNDRNZIN-MRXNPFEDSA-N 0 0 427.570 4.322 50 0 IIAARN Fc1ccccc1N1CCN(c2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)CC1 ZINC000046022777 557022686 /nfs/dbraw/zinc/02/26/86/557022686.db2.gz BWDVJSZWAXLDSQ-UHFFFAOYSA-N 0 0 428.515 4.136 50 0 IIAARN Cc1c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)sc2cccc(F)c12 ZINC000010749025 557023924 /nfs/dbraw/zinc/02/39/24/557023924.db2.gz FQPBNLIFPOUHRJ-UHFFFAOYSA-N 0 0 434.558 4.107 50 0 IIAARN O=S(=O)(N[C@H]1CCc2ccccc21)c1cc(Br)ccc1Br ZINC000010752476 557025025 /nfs/dbraw/zinc/02/50/25/557025025.db2.gz ZZNLENBRGIDQEF-AWEZNQCLSA-N 0 0 431.149 4.177 50 0 IIAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000072066796 557026298 /nfs/dbraw/zinc/02/62/98/557026298.db2.gz KKJCKAPPXKJMAM-FDDCHVKYSA-N 0 0 435.568 4.107 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 ZINC000023151808 557028048 /nfs/dbraw/zinc/02/80/48/557028048.db2.gz QRPACVIIJXQIKP-UHFFFAOYSA-N 0 0 433.508 4.174 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc12 ZINC000032945400 557029037 /nfs/dbraw/zinc/02/90/37/557029037.db2.gz NIBMPBPXMVJKKY-UHFFFAOYSA-N 0 0 429.586 4.304 50 0 IIAARN COc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)n2)cc1OC ZINC000010817103 557029798 /nfs/dbraw/zinc/02/97/98/557029798.db2.gz RAXNUBGUMFGMSY-QGZVFWFLSA-N 0 0 425.510 4.033 50 0 IIAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157161 557029931 /nfs/dbraw/zinc/02/99/31/557029931.db2.gz HLMKQPCDVLZVDM-IBGZPJMESA-N 0 0 442.585 4.293 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1C ZINC000046075604 557032491 /nfs/dbraw/zinc/03/24/91/557032491.db2.gz GAQUHGXJVZADQI-GOSISDBHSA-N 0 0 448.548 4.052 50 0 IIAARN O=C(/C=C\c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000098031299 557032773 /nfs/dbraw/zinc/03/27/73/557032773.db2.gz AJWXIMLRAQCJMO-GDNBJRDFSA-N 0 0 429.495 4.440 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O ZINC000046079299 557034115 /nfs/dbraw/zinc/03/41/15/557034115.db2.gz JXTTWNKLDSAMCA-UHFFFAOYSA-N 0 0 438.915 4.168 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)c(OC)c3)on1)CCCC2 ZINC000046086952 557035841 /nfs/dbraw/zinc/03/58/41/557035841.db2.gz ZRFYVQCAAQELCS-UHFFFAOYSA-N 0 0 442.493 4.338 50 0 IIAARN O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(Oc2ccccc2)cc1 ZINC000017192075 557037209 /nfs/dbraw/zinc/03/72/09/557037209.db2.gz GILNUVZUFBLYFQ-UHFFFAOYSA-N 0 0 447.516 4.293 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)c2nc3ccccc3n(Cc3ccccc3)c2=O)c1 ZINC000033269634 557046925 /nfs/dbraw/zinc/04/69/25/557046925.db2.gz LZIZSPCKMUQUBF-UHFFFAOYSA-N 0 0 443.503 4.495 50 0 IIAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4c(F)cccc4F)n3)nc2c1 ZINC000033270875 557047690 /nfs/dbraw/zinc/04/76/90/557047690.db2.gz LOIVJMSTLVKRHT-UHFFFAOYSA-N 0 0 429.452 4.396 50 0 IIAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1 ZINC000033270802 557047722 /nfs/dbraw/zinc/04/77/22/557047722.db2.gz XVTYDLLBTACGDC-UHFFFAOYSA-N 0 0 434.525 4.335 50 0 IIAARN Cc1cccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)c1C ZINC000033270766 557047828 /nfs/dbraw/zinc/04/78/28/557047828.db2.gz WSDATTNAMJXEAI-UHFFFAOYSA-N 0 0 434.525 4.335 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(Nc2nc(C)cc(N3CCOCC3)n2)cc1)c1ccccc1 ZINC000017269230 557048139 /nfs/dbraw/zinc/04/81/39/557048139.db2.gz KDGUSHFKULTSIQ-JOCHJYFZSA-N 0 0 431.540 4.498 50 0 IIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NC4CCCCC4)CC3)s2)cc1 ZINC000033273053 557051037 /nfs/dbraw/zinc/05/10/37/557051037.db2.gz BVECXZOIEORSNR-UHFFFAOYSA-N 0 0 443.573 4.021 50 0 IIAARN O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000048252307 557051789 /nfs/dbraw/zinc/05/17/89/557051789.db2.gz LMLBZDQOKXACMZ-UHFFFAOYSA-N 0 0 426.948 4.172 50 0 IIAARN Cc1cccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c1 ZINC000033272952 557052796 /nfs/dbraw/zinc/05/27/96/557052796.db2.gz OLQRGALVPYZZES-UHFFFAOYSA-N 0 0 438.528 4.187 50 0 IIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C(=O)N3CCCC3)c3ccccc3)c12 ZINC000048287368 557053123 /nfs/dbraw/zinc/05/31/23/557053123.db2.gz NFMCQWTYWGQAME-HSZRJFAPSA-N 0 0 440.503 4.292 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCc3cccc(F)c3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033275108 557053646 /nfs/dbraw/zinc/05/36/46/557053646.db2.gz NHROHHAXCXHFGK-UHFFFAOYSA-N 0 0 443.526 4.377 50 0 IIAARN Cc1ccc(-c2nc(CSc3nnc(CN4CCCC4=O)n3-c3ccccn3)co2)cc1 ZINC000022974132 557055418 /nfs/dbraw/zinc/05/54/18/557055418.db2.gz ZZXGLUPJSAMATQ-UHFFFAOYSA-N 0 0 446.536 4.040 50 0 IIAARN COc1cccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)c1OC ZINC000033276404 557056515 /nfs/dbraw/zinc/05/65/15/557056515.db2.gz ZVKMFIGMHWQKQM-UHFFFAOYSA-N 0 0 437.477 4.222 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)NCc2ccc(C)cc2)cc1 ZINC000032948769 557058081 /nfs/dbraw/zinc/05/80/81/557058081.db2.gz MWYKSTNTWUPIAF-QFIPXVFZSA-N 0 0 432.520 4.386 50 0 biogenic IIAARN CCOc1ccc(CN(C)C(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000048286527 557058505 /nfs/dbraw/zinc/05/85/05/557058505.db2.gz MMAYIJMEEKZXAK-OJNXCIKNSA-N 0 0 426.601 4.401 50 0 IIAARN CC(C)NC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000033277866 557059845 /nfs/dbraw/zinc/05/98/45/557059845.db2.gz KJJOASOYRVOMEK-UHFFFAOYSA-N 0 0 441.919 4.235 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC(n2cnc3cc(Cl)ccc3c2=O)CC1 ZINC000033278364 557060191 /nfs/dbraw/zinc/06/01/91/557060191.db2.gz KCNIHNOJJNHZFC-UHFFFAOYSA-N 0 0 426.904 4.318 50 0 IIAARN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000023080976 557062695 /nfs/dbraw/zinc/06/26/95/557062695.db2.gz ONGSDFROHLNLRB-UHFFFAOYSA-N 0 0 439.364 4.239 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c1 ZINC000033284490 557063912 /nfs/dbraw/zinc/06/39/12/557063912.db2.gz KAZJEEYNLYDPMF-UHFFFAOYSA-N 0 0 445.548 4.007 50 0 IIAARN CC(C)c1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1Cc1ccc3c(c1)OCO3)C(=O)N2 ZINC000048302756 557063956 /nfs/dbraw/zinc/06/39/56/557063956.db2.gz BYANUFDTCLQIDJ-AREMUKBSSA-N 0 0 441.487 4.412 50 0 IIAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(Cl)c4C)c3=O)n2)cc1 ZINC000023125955 557065164 /nfs/dbraw/zinc/06/51/64/557065164.db2.gz CXOUMHXVWPQJHQ-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000033287786 557065279 /nfs/dbraw/zinc/06/52/79/557065279.db2.gz XITSNFMXKYDHDJ-UHFFFAOYSA-N 0 0 439.519 4.086 50 0 IIAARN COc1ccccc1CNC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000023126765 557065472 /nfs/dbraw/zinc/06/54/72/557065472.db2.gz OINHPYISXKOUCH-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN COc1ccccc1NC(=O)/C(=C\c1cccc(OC)c1OC)NC(=O)c1ccccc1 ZINC000033288510 557065759 /nfs/dbraw/zinc/06/57/59/557065759.db2.gz TYYVRBFJOBMQHC-CAPFRKAQSA-N 0 0 432.476 4.122 50 0 IIAARN COc1cc(CNC(=O)CSc2nccnc2Sc2ccccc2C)cc(OC)c1 ZINC000033289009 557066528 /nfs/dbraw/zinc/06/65/28/557066528.db2.gz PIYVGYIWFQCUAN-UHFFFAOYSA-N 0 0 441.578 4.362 50 0 IIAARN CN(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@@H]1Cc2ccccc2O1 ZINC000023144742 557067974 /nfs/dbraw/zinc/06/79/74/557067974.db2.gz JIZGQVKWKWDRKN-IBGZPJMESA-N 0 0 438.597 4.238 50 0 IIAARN NC(=O)C1CCN(c2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3n2)CC1 ZINC000033282537 557068013 /nfs/dbraw/zinc/06/80/13/557068013.db2.gz XJOAQSFSXDYPNV-UHFFFAOYSA-N 0 0 433.899 4.307 50 0 IIAARN CSc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)o3)CC2=O)cc1 ZINC000033291282 557069382 /nfs/dbraw/zinc/06/93/82/557069382.db2.gz UWGLMDOQAGVWMM-GFCCVEGCSA-N 0 0 428.901 4.218 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000048332268 557069858 /nfs/dbraw/zinc/06/98/58/557069858.db2.gz ULEUXUOTKKHETK-FQEVSTJZSA-N 0 0 443.569 4.011 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)sc2C1 ZINC000048339757 557070245 /nfs/dbraw/zinc/07/02/45/557070245.db2.gz XJSOQBVNHAHVRT-HNNXBMFYSA-N 0 0 426.563 4.494 50 0 IIAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)n2)cc1 ZINC000033289746 557071304 /nfs/dbraw/zinc/07/13/04/557071304.db2.gz LJLAWYDEKAETLD-GOSISDBHSA-N 0 0 429.480 4.196 50 0 IIAARN Cc1cc(CN(C)c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)no1 ZINC000023185367 557071604 /nfs/dbraw/zinc/07/16/04/557071604.db2.gz VNPCJGSVMMWNRE-UHFFFAOYSA-N 0 0 435.553 4.123 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000033297887 557073853 /nfs/dbraw/zinc/07/38/53/557073853.db2.gz GKUYMPYGUAASOF-RAXLEYEMSA-N 0 0 437.521 4.253 50 0 IIAARN CCN(C(=O)CN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1)c1cccc2ccccc21 ZINC000048355837 557074331 /nfs/dbraw/zinc/07/43/31/557074331.db2.gz QWLQDDDPGDTGMM-XMMPIXPASA-N 0 0 431.536 4.304 50 0 IIAARN CCCn1c(C)cc(-c2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)c1C ZINC000010887733 557074903 /nfs/dbraw/zinc/07/49/03/557074903.db2.gz WPXFCWTXWWNBNH-UHFFFAOYSA-N 0 0 435.553 4.446 50 0 IIAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033299022 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CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCc2ccccc2C1 ZINC000024799979 557144880 /nfs/dbraw/zinc/14/48/80/557144880.db2.gz PRADFAKKHOQZOC-UHFFFAOYSA-N 0 0 434.367 4.229 50 0 IIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)Nc3cccc4ncccc43)c12 ZINC000010947714 557145249 /nfs/dbraw/zinc/14/52/49/557145249.db2.gz VUSLZZIEYNNPSB-UHFFFAOYSA-N 0 0 428.404 4.135 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 ZINC000024393462 557146218 /nfs/dbraw/zinc/14/62/18/557146218.db2.gz FHLLVBIGZIXXAQ-CVDCTZTESA-N 0 0 449.551 4.305 50 0 IIAARN O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000712147 557146661 /nfs/dbraw/zinc/14/66/61/557146661.db2.gz VKVXMFKSUIELSB-NSHDSACASA-N 0 0 438.119 4.203 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 ZINC000011431959 557147374 /nfs/dbraw/zinc/14/73/74/557147374.db2.gz AKLCBILFXCMBTJ-LJQANCHMSA-N 0 0 437.521 4.215 50 0 IIAARN Nc1nonc1-c1noc(-c2cc(Br)ccc2OCc2ccccc2Cl)n1 ZINC000000718609 557148918 /nfs/dbraw/zinc/14/89/18/557148918.db2.gz PAYUNXUFQONDCO-UHFFFAOYSA-N 0 0 448.664 4.364 50 0 IIAARN O=C(c1ccccc1Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450521 557149101 /nfs/dbraw/zinc/14/91/01/557149101.db2.gz QSGCJLFMWQKNOD-UHFFFAOYSA-N 0 0 441.578 4.075 50 0 IIAARN COc1ccc(-c2nc(NCc3ccc(F)cc3)n(C(=O)c3ccccc3OC)n2)cc1 ZINC000016426119 557151558 /nfs/dbraw/zinc/15/15/58/557151558.db2.gz SXEDFOJESITABJ-UHFFFAOYSA-N 0 0 432.455 4.402 50 0 IIAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1 ZINC000023270116 557152264 /nfs/dbraw/zinc/15/22/64/557152264.db2.gz VYMSVIPEDRYONQ-UHFFFAOYSA-N 0 0 441.487 4.361 50 0 IIAARN Cc1ccc(OCc2nc(CC(=O)N(C)CC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000024595694 557152283 /nfs/dbraw/zinc/15/22/83/557152283.db2.gz UAHYGJOKTCXQPW-UHFFFAOYSA-N 0 0 437.565 4.287 50 0 IIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3cccs3)n2)cc1 ZINC000011478645 557152475 /nfs/dbraw/zinc/15/24/75/557152475.db2.gz VFURFJUPTXNWIT-INIZCTEOSA-N 0 0 428.539 4.036 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc12 ZINC000011478377 557152525 /nfs/dbraw/zinc/15/25/25/557152525.db2.gz UMQOUFPAXMDHGG-UHFFFAOYSA-N 0 0 438.436 4.303 50 0 IIAARN CC(=O)n1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c(-c2ccccc2)n1 ZINC000000726043 557154657 /nfs/dbraw/zinc/15/46/57/557154657.db2.gz SBMAFTKNHUYVAK-GIJQJNRQSA-N 0 0 436.811 4.116 50 0 IIAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000024611357 557155157 /nfs/dbraw/zinc/15/51/57/557155157.db2.gz JWCDJUXPZDEDLF-UHFFFAOYSA-N 0 0 440.487 4.194 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000011512883 557156450 /nfs/dbraw/zinc/15/64/50/557156450.db2.gz DBOAVMSHRKOQAU-UHFFFAOYSA-N 0 0 435.867 4.436 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1C ZINC000095249767 557156800 /nfs/dbraw/zinc/15/68/00/557156800.db2.gz GTXKKADMKMCGMQ-VZPUWSDOSA-N 0 0 431.488 4.045 50 0 IIAARN Cc1ccc2nc(COc3ccc(C(=O)N(C)C[C@@H]4COc5ccccc5O4)cc3)cn2c1 ZINC000024662996 557158081 /nfs/dbraw/zinc/15/80/81/557158081.db2.gz AUDBIZIIMQCUQB-JOCHJYFZSA-N 0 0 443.503 4.134 50 0 IIAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206900365 557165684 /nfs/dbraw/zinc/16/56/84/557165684.db2.gz QBBWPNNKUPDSNA-UHFFFAOYSA-N 0 0 439.450 4.003 50 0 IIAARN O=C(c1cc(-c2cccs2)on1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024771525 557165869 /nfs/dbraw/zinc/16/58/69/557165869.db2.gz KJXAXNVUPZJVGL-UHFFFAOYSA-N 0 0 442.500 4.482 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000024771998 557165873 /nfs/dbraw/zinc/16/58/73/557165873.db2.gz SYUZHZMMRFUXHY-UHFFFAOYSA-N 0 0 434.517 4.142 50 0 IIAARN COC(=O)c1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)s1 ZINC000024771758 557165929 /nfs/dbraw/zinc/16/59/29/557165929.db2.gz WVPZPVMXNIOTST-KSSFIOAISA-N 0 0 441.534 4.033 50 0 IIAARN CCCn1ccnc1SCC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000024774226 557166322 /nfs/dbraw/zinc/16/63/22/557166322.db2.gz JMVWXZZAMNXVET-UHFFFAOYSA-N 0 0 432.571 4.427 50 0 IIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nn4cnc5ccccc54)cc3)ccc12 ZINC000024777959 557167425 /nfs/dbraw/zinc/16/74/25/557167425.db2.gz HAWRUAIQDLOARK-UHFFFAOYSA-N 0 0 425.444 4.414 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1 ZINC000024841034 557167949 /nfs/dbraw/zinc/16/79/49/557167949.db2.gz JELIHPBTBROASV-UHFFFAOYSA-N 0 0 438.549 4.085 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000024831763 557170646 /nfs/dbraw/zinc/17/06/46/557170646.db2.gz HDNYWFOKOUPIQU-UHFFFAOYSA-N 0 0 449.019 4.010 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)cs2)c(OC)c1 ZINC000024835319 557171907 /nfs/dbraw/zinc/17/19/07/557171907.db2.gz TWDMSIZFGQJCTJ-UHFFFAOYSA-N 0 0 437.565 4.352 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)CCCOc1ccc(Br)cc1)c1ccccc1 ZINC000024865173 557172243 /nfs/dbraw/zinc/17/22/43/557172243.db2.gz HFQLHDHNFRDELA-FQEVSTJZSA-N 0 0 428.330 4.247 50 0 IIAARN Cc1cc(Cl)c(CC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)c(Cl)n1 ZINC000024842377 557173563 /nfs/dbraw/zinc/17/35/63/557173563.db2.gz AFRMENXXMKOVFO-UHFFFAOYSA-N 0 0 434.304 4.205 50 0 IIAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024843137 557173806 /nfs/dbraw/zinc/17/38/06/557173806.db2.gz DJDRPDSWGKILMD-UHFFFAOYSA-N 0 0 435.959 4.164 50 0 IIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000024890092 557177278 /nfs/dbraw/zinc/17/72/78/557177278.db2.gz CMIXLHXXVGCZHS-HXUWFJFHSA-N 0 0 445.972 4.397 50 0 IIAARN CCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000024927607 557180514 /nfs/dbraw/zinc/18/05/14/557180514.db2.gz FKFPTQDLBPYZIT-UHFFFAOYSA-N 0 0 425.341 4.142 50 0 IIAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000024969451 557183436 /nfs/dbraw/zinc/18/34/36/557183436.db2.gz WJTRUCCCMHYXBV-FQEVSTJZSA-N 0 0 444.603 4.038 50 0 IIAARN O=C(c1c2ccccc2nc2c1CCC/C2=C/c1ccc(Cl)cc1)N1CCNC(=O)C1 ZINC000098003219 557189221 /nfs/dbraw/zinc/18/92/21/557189221.db2.gz WYJHBANWFRNVQY-VKAVYKQESA-N 0 0 431.923 4.337 50 0 IIAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000025040903 557189873 /nfs/dbraw/zinc/18/98/73/557189873.db2.gz AEEIPIKPXOSLNR-UHFFFAOYSA-N 0 0 443.916 4.088 50 0 IIAARN Cc1ccc(NC(=O)Cc2nnc(SCCOc3ccc(Cl)cc3)n2C)cc1C ZINC000009699053 557191371 /nfs/dbraw/zinc/19/13/71/557191371.db2.gz ZVDLGOCGCFGILW-UHFFFAOYSA-N 0 0 430.961 4.438 50 0 IIAARN CCOCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100873688 557196451 /nfs/dbraw/zinc/19/64/51/557196451.db2.gz KJTNUWAXXMLKIN-VZCXRCSSSA-N 0 0 435.343 4.252 50 0 IIAARN O=C(CCNC(=O)NC1CCCCC1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025171439 557198341 /nfs/dbraw/zinc/19/83/41/557198341.db2.gz NLBIJXCQDOBYRQ-QFIPXVFZSA-N 0 0 432.568 4.438 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000025325765 557204170 /nfs/dbraw/zinc/20/41/70/557204170.db2.gz LDNHZFRSNZPZBS-FQEVSTJZSA-N 0 0 446.544 4.033 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000025325763 557204236 /nfs/dbraw/zinc/20/42/36/557204236.db2.gz LDNHZFRSNZPZBS-HXUWFJFHSA-N 0 0 446.544 4.033 50 0 IIAARN Cc1ccc([C@@H](CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)N2CCOCC2)o1 ZINC000025399309 557207970 /nfs/dbraw/zinc/20/79/70/557207970.db2.gz SPOKUCSGKNNTDQ-GOSISDBHSA-N 0 0 431.945 4.168 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677534 557209539 /nfs/dbraw/zinc/20/95/39/557209539.db2.gz YRBGWXFFQMQJLW-AQKFKSFVSA-N 0 0 431.502 4.488 50 0 IIAARN Cn1c2oc(Nc3ccccc3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000011614783 557211560 /nfs/dbraw/zinc/21/15/60/557211560.db2.gz ZBIDGXDRANPNEZ-UHFFFAOYSA-N 0 0 426.270 4.003 50 0 IIAARN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000018018846 557218925 /nfs/dbraw/zinc/21/89/25/557218925.db2.gz WVYPXIWPOALBRW-CQSZACIVSA-N 0 0 440.554 4.069 50 0 IIAARN CC(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 ZINC000010992677 557219004 /nfs/dbraw/zinc/21/90/04/557219004.db2.gz GFONIQOKTINCPA-UHFFFAOYSA-N 0 0 427.460 4.332 50 0 IIAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)on1 ZINC000010996226 557220991 /nfs/dbraw/zinc/22/09/91/557220991.db2.gz XKVCSQNWUKGHII-LBPRGKRZSA-N 0 0 433.921 4.261 50 0 IIAARN COC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756717 557223808 /nfs/dbraw/zinc/22/38/08/557223808.db2.gz GPJLBPADEUSQSY-OAQYLSRUSA-N 0 0 439.508 4.189 50 0 IIAARN O=C(CSCc1nc2ccccc2s1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025813668 557227390 /nfs/dbraw/zinc/22/73/90/557227390.db2.gz XRWLZFUVDTVCEM-UHFFFAOYSA-N 0 0 425.579 4.407 50 0 IIAARN COc1ccc2cc(COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c(Cl)nc2c1 ZINC000011315183 557228115 /nfs/dbraw/zinc/22/81/15/557228115.db2.gz JWULVKQBDPBBFN-UHFFFAOYSA-N 0 0 440.304 4.311 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1OC(F)F ZINC000011555891 557229704 /nfs/dbraw/zinc/22/97/04/557229704.db2.gz PMVWWORIARIPQR-UHFFFAOYSA-N 0 0 427.245 4.070 50 0 IIAARN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000000807661 557231501 /nfs/dbraw/zinc/23/15/01/557231501.db2.gz QFOBTSZXMOGVFQ-UHFFFAOYSA-N 0 0 435.549 4.362 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)C(C)(C)OC(C)=O)CC2 ZINC000023319619 557231584 /nfs/dbraw/zinc/23/15/84/557231584.db2.gz RYRCLFLWCDRDPI-NRFANRHFSA-N 0 0 449.906 4.312 50 0 IIAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000011693308 557232167 /nfs/dbraw/zinc/23/21/67/557232167.db2.gz IRRAPVHXCBRJLT-UHFFFAOYSA-N 0 0 431.414 4.357 50 0 IIAARN COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc(F)c(Cl)c4)CC3)n[nH]2)cc1 ZINC000098211649 557235141 /nfs/dbraw/zinc/23/51/41/557235141.db2.gz VUCJCPXOXSGSSJ-UHFFFAOYSA-N 0 0 428.895 4.230 50 0 IIAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(F)cc4Cl)CC3)n[nH]2)cc1 ZINC000098212790 557235967 /nfs/dbraw/zinc/23/59/67/557235967.db2.gz LRZOSFQIUZAQMO-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN O=C(CSc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)nn1)N1CCCC1 ZINC000011792431 557236063 /nfs/dbraw/zinc/23/60/63/557236063.db2.gz PEPBFZGDCMLSIF-UHFFFAOYSA-N 0 0 446.532 4.067 50 0 IIAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CC[C@H](Cc1ccccc1)c1ccco1 ZINC000604405960 557239265 /nfs/dbraw/zinc/23/92/65/557239265.db2.gz UWFJQJYRTFYPSA-XLUUBMHYSA-N 0 0 444.531 4.222 50 0 biogenic IIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000026389944 557240127 /nfs/dbraw/zinc/24/01/27/557240127.db2.gz QKZLFXVXSQXMSN-FQEVSTJZSA-N 0 0 426.505 4.372 50 0 IIAARN Cc1c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000026415360 557240776 /nfs/dbraw/zinc/24/07/76/557240776.db2.gz XQGMQVSGQCSXHJ-LJQANCHMSA-N 0 0 445.544 4.320 50 0 IIAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3=O)sc2c1 ZINC000100115021 557240921 /nfs/dbraw/zinc/24/09/21/557240921.db2.gz PJOGMVUREHRULP-SFHVURJKSA-N 0 0 444.534 4.136 50 0 IIAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000026418855 557241071 /nfs/dbraw/zinc/24/10/71/557241071.db2.gz RHKSJILCAXQRSQ-LCABBPNISA-N 0 0 438.568 4.073 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1 ZINC000026688523 557246835 /nfs/dbraw/zinc/24/68/35/557246835.db2.gz BFZPQVCTEKNBLK-SFHVURJKSA-N 0 0 435.505 4.143 50 0 IIAARN COc1ccc([C@H](NC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)C(C)C)cc1OC ZINC000604404646 557247614 /nfs/dbraw/zinc/24/76/14/557247614.db2.gz PTRHPYFNDLYHMR-WZONZLPQSA-N 0 0 428.529 4.405 50 0 biogenic IIAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000026779437 557248424 /nfs/dbraw/zinc/24/84/24/557248424.db2.gz YBNUKOADDJJAAV-RCCKNPSSSA-N 0 0 435.549 4.252 50 0 IIAARN CCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC ZINC000027021581 557255192 /nfs/dbraw/zinc/25/51/92/557255192.db2.gz JIMZDUXRJWYZMR-GQWRFYPMSA-N 0 0 433.533 4.057 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)O[C@H](C)C2 ZINC000027136184 557257573 /nfs/dbraw/zinc/25/75/73/557257573.db2.gz SBSKDWIHXACOGX-IQGLISFBSA-N 0 0 444.531 4.196 50 0 IIAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCCO)c(=N)c32)cc1OC ZINC000101162322 557257820 /nfs/dbraw/zinc/25/78/20/557257820.db2.gz ZVJKQVQVSUFAGB-JOCHJYFZSA-N 0 0 443.503 4.201 50 0 IIAARN CN(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000816955 557257861 /nfs/dbraw/zinc/25/78/61/557257861.db2.gz LQMPCEJYWCJFHE-UHFFFAOYSA-N 0 0 428.941 4.194 50 0 IIAARN CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)c1ccccc1 ZINC000027174833 557258548 /nfs/dbraw/zinc/25/85/48/557258548.db2.gz HMAWERIUZNBDHK-INIZCTEOSA-N 0 0 447.409 4.056 50 0 IIAARN O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1I ZINC000100499850 557262310 /nfs/dbraw/zinc/26/23/10/557262310.db2.gz IKNJMRVYVUXVNO-LBPRGKRZSA-N 0 0 425.653 4.067 50 0 IIAARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027481121 557262870 /nfs/dbraw/zinc/26/28/70/557262870.db2.gz HVUAHZQQSBUDOF-MRXNPFEDSA-N 0 0 443.473 4.188 50 0 IIAARN C[C@H](OCC(F)(F)F)C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072271244 557265207 /nfs/dbraw/zinc/26/52/07/557265207.db2.gz GVLAJEJNVCPVIX-WMZOPIPTSA-N 0 0 444.494 4.382 50 0 IIAARN COc1cc([C@H]2CC(c3ccc(Cl)cc3Cl)=Nc3nnnn32)cc(OC)c1OC ZINC000101217100 557265740 /nfs/dbraw/zinc/26/57/40/557265740.db2.gz SLQPLYNGIQDZOO-OAHLLOKOSA-N 0 0 434.283 4.062 50 0 IIAARN O=C(NCc1cccs1)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282235 557267118 /nfs/dbraw/zinc/26/71/18/557267118.db2.gz GQHPJLJIKAEBBJ-UHFFFAOYSA-N 0 0 434.908 4.464 50 0 IIAARN CCc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@H](C)C5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282425 557267383 /nfs/dbraw/zinc/26/73/83/557267383.db2.gz YTVSMOWFUUTGIS-CALCHBBNSA-N 0 0 428.536 4.499 50 0 IIAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)NCc1cccs1 ZINC000011023604 557267466 /nfs/dbraw/zinc/26/74/66/557267466.db2.gz TVAHMSJCGMOJOZ-UHFFFAOYSA-N 0 0 438.553 4.467 50 0 IIAARN COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc(OC)c1OC ZINC000027664522 557270591 /nfs/dbraw/zinc/27/05/91/557270591.db2.gz UXLXXRQLXGXSEN-LJQANCHMSA-N 0 0 432.948 4.323 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3nc(C)nn32)cc1 ZINC000100716760 557271075 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557473099 /nfs/dbraw/zinc/47/30/99/557473099.db2.gz LKBLKVJFESUHQE-ZEQRLZLVSA-N 0 0 438.549 4.227 50 0 IIAARN COc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccco3)n2)cc(OC)c1OC ZINC000105821368 557511437 /nfs/dbraw/zinc/51/14/37/557511437.db2.gz YCIBFYFUUUOMHP-KRWDZBQOSA-N 0 0 449.463 4.069 50 0 IIAARN Cc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c(Cl)c1Cl ZINC000002804761 557522165 /nfs/dbraw/zinc/52/21/65/557522165.db2.gz KUYYSMDEDJKDDP-UHFFFAOYSA-N 0 0 446.688 4.272 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000003271520 557523747 /nfs/dbraw/zinc/52/37/47/557523747.db2.gz FZHXWIUTOGCQFX-XVNBXDOJSA-N 0 0 429.778 4.268 50 0 IIAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000012062978 557525909 /nfs/dbraw/zinc/52/59/09/557525909.db2.gz IHGQUMYVGUSGGK-SFHVURJKSA-N 0 0 429.513 4.327 50 0 IIAARN COc1ccc(Br)cc1COC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000012076940 557527193 /nfs/dbraw/zinc/52/71/93/557527193.db2.gz VHQVHUNLSHHMMW-UHFFFAOYSA-N 0 0 433.258 4.085 50 0 IIAARN O=C1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@H]2N1C1CC1 ZINC000107535902 557536407 /nfs/dbraw/zinc/53/64/07/557536407.db2.gz FAZWXZXFKPXWFS-QFBILLFUSA-N 0 0 445.592 4.222 50 0 IIAARN O=C1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]2N1C1CC1 ZINC000107535897 557536485 /nfs/dbraw/zinc/53/64/85/557536485.db2.gz FAZWXZXFKPXWFS-LPHOPBHVSA-N 0 0 445.592 4.222 50 0 IIAARN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000044854776 557537703 /nfs/dbraw/zinc/53/77/03/557537703.db2.gz JEUCSLVXXLETFQ-YLJYHZDGSA-N 0 0 436.581 4.451 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000051354382 557547240 /nfs/dbraw/zinc/54/72/40/557547240.db2.gz MJASZJRMGXOJCO-UHFFFAOYSA-N 0 0 426.336 4.124 50 0 IIAARN O=C(NCc1ccco1)C1CCN(c2ccc(Sc3ccc(Cl)cc3)nn2)CC1 ZINC000045921698 557547633 /nfs/dbraw/zinc/54/76/33/557547633.db2.gz BLBGOQTVGWGQHR-UHFFFAOYSA-N 0 0 428.945 4.407 50 0 IIAARN Cc1cccc(-c2nn3c(nc(CNC(=O)c4ccccc4C(F)(F)F)cc3=O)s2)c1 ZINC000045961454 557555320 /nfs/dbraw/zinc/55/53/20/557555320.db2.gz KQVXYGMKKHFVHB-UHFFFAOYSA-N 0 0 444.438 4.075 50 0 IIAARN COc1cccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000045962005 557556995 /nfs/dbraw/zinc/55/69/95/557556995.db2.gz POCAPYLUTGNODS-UHFFFAOYSA-N 0 0 428.510 4.347 50 0 IIAARN Cc1ccc(C)c(N2N=C(C(=O)Nc3ncc(C4(O)CCCCC4)s3)CCC2=O)c1 ZINC000225401551 557718757 /nfs/dbraw/zinc/71/87/57/557718757.db2.gz PAKVYCGAYNHVQT-UHFFFAOYSA-N 0 0 426.542 4.033 50 0 IIAARN Cc1ccccc1C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccs1 ZINC000225495542 557730242 /nfs/dbraw/zinc/73/02/42/557730242.db2.gz WTGSBUACTYSRQR-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2)C1 ZINC000225516478 557733720 /nfs/dbraw/zinc/73/37/20/557733720.db2.gz AKQXULNUHYQPEX-IBGZPJMESA-N 0 0 425.535 4.111 50 0 IIAARN Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000029255557 557744852 /nfs/dbraw/zinc/74/48/52/557744852.db2.gz ROHCVIYFPGAUSL-RMKNXTFCSA-N 0 0 426.973 4.160 50 0 IIAARN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000225680233 557762066 /nfs/dbraw/zinc/76/20/66/557762066.db2.gz AVODFLPFVAJUFO-RGCFKVTRSA-N 0 0 438.557 4.285 50 0 IIAARN Cc1cccc(OCCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1 ZINC000225738377 557770872 /nfs/dbraw/zinc/77/08/72/557770872.db2.gz HUGDMSKWILVWSP-JOCHJYFZSA-N 0 0 439.556 4.370 50 0 IIAARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000226820772 557809435 /nfs/dbraw/zinc/80/94/35/557809435.db2.gz FSPQQKSLNXBBCG-BHDDXSALSA-N 0 0 434.879 4.400 50 0 IIAARN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226981366 557811593 /nfs/dbraw/zinc/81/15/93/557811593.db2.gz HZCHVXGZXPEOCQ-CEXWTWQISA-N 0 0 429.314 4.318 50 0 IIAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Sc3nccn3C)n2)cc1 ZINC000000847492 557829272 /nfs/dbraw/zinc/82/92/72/557829272.db2.gz YAZKEJRHRKGFGC-UHFFFAOYSA-N 0 0 435.513 4.261 50 0 IIAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 ZINC000025007575 557831416 /nfs/dbraw/zinc/83/14/16/557831416.db2.gz WTXAMIQYWTWYTC-UHFFFAOYSA-N 0 0 438.450 4.437 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 ZINC000000870360 557841303 /nfs/dbraw/zinc/84/13/03/557841303.db2.gz CBZCAJBGPGXAPM-UHFFFAOYSA-N 0 0 436.599 4.470 50 0 IIAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]21 ZINC000239309918 557843957 /nfs/dbraw/zinc/84/39/57/557843957.db2.gz HXYXQUQMNOCQHZ-RFVSGWPVSA-N 0 0 437.879 4.081 50 0 IIAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1ncc(Br)cn1 ZINC000239654057 557845026 /nfs/dbraw/zinc/84/50/26/557845026.db2.gz BMODCGIBVGOCDB-NSHDSACASA-N 0 0 433.379 4.362 50 0 IIAARN COCCC1(CNC(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)CCCC1 ZINC000241470614 557846667 /nfs/dbraw/zinc/84/66/67/557846667.db2.gz NWMQTWDQCJDLAK-UHFFFAOYSA-N 0 0 429.529 4.008 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1C ZINC000000873145 557847711 /nfs/dbraw/zinc/84/77/11/557847711.db2.gz GHXRWHXWPDHRJW-UHFFFAOYSA-N 0 0 426.542 4.004 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1Br ZINC000000881901 557852962 /nfs/dbraw/zinc/85/29/62/557852962.db2.gz PJEZLJZMVYTLHV-UHFFFAOYSA-N 0 0 444.148 4.347 50 0 IIAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C[C@@H]1CCCO1 ZINC000000887444 557856677 /nfs/dbraw/zinc/85/66/77/557856677.db2.gz WXCQPNNWGGDJTA-LBPRGKRZSA-N 0 0 434.871 4.169 50 0 IIAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cc2ccccc2oc1=O ZINC000001076207 560180384 /nfs/dbraw/zinc/18/03/84/560180384.db2.gz BMRVDOUFKKHOIW-UHFFFAOYSA-N 0 0 430.382 4.454 50 0 biogenic,in-vitro IIAARN Cc1nn(C)c(C)c1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000918054 562919589 /nfs/dbraw/zinc/91/95/89/562919589.db2.gz FEFASTHVDACCAJ-UHFFFAOYSA-N 0 0 425.436 4.227 50 0 IIAARN C[C@H]1CCCCN1C(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959957 562919816 /nfs/dbraw/zinc/91/98/16/562919816.db2.gz YDLLEDUBANYIIW-INIZCTEOSA-N 0 0 437.927 4.133 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001251454 562921049 /nfs/dbraw/zinc/92/10/49/562921049.db2.gz ZOCURUYBRSKDJD-INIZCTEOSA-N 0 0 444.578 4.200 50 0 IIAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000002397453 562927377 /nfs/dbraw/zinc/92/73/77/562927377.db2.gz JOWNXQLLQJQXBQ-SMSORMJASA-N 0 0 437.473 4.190 50 0 IIAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000002724282 562929985 /nfs/dbraw/zinc/92/99/85/562929985.db2.gz DMYZCMSFTMACGD-DEOSSOPVSA-N 0 0 434.467 4.335 50 0 IIAARN Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000003025139 562931803 /nfs/dbraw/zinc/93/18/03/562931803.db2.gz UTCQNGZOUSFSCL-UHFFFAOYSA-N 0 0 430.476 4.312 50 0 IIAARN CCOc1ccccc1N[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003345610 562934540 /nfs/dbraw/zinc/93/45/40/562934540.db2.gz VUZHYNUNASVZLG-OAHLLOKOSA-N 0 0 437.462 4.380 50 0 IIAARN Clc1ccc(OCc2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)c(Cl)c1 ZINC000004100092 562941806 /nfs/dbraw/zinc/94/18/06/562941806.db2.gz LYHMHXBHSOQERN-UHFFFAOYSA-N 0 0 449.319 4.293 50 0 IIAARN C[C@@]12CC(=O)N[C@@H]1N(C(=O)c1ccccc1)[C@@H](c1ccccc1OC(=O)c1ccccc1)C2 ZINC000004108671 562941964 /nfs/dbraw/zinc/94/19/64/562941964.db2.gz SPSOPJXALCOOAI-SACAOSOOSA-N 0 0 440.499 4.345 50 0 IIAARN C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@@H](c1ccccc1OC(=O)c1ccccc1)C2 ZINC000004108668 562942001 /nfs/dbraw/zinc/94/20/01/562942001.db2.gz SPSOPJXALCOOAI-COFKYPDJSA-N 0 0 440.499 4.345 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000006261664 562946577 /nfs/dbraw/zinc/94/65/77/562946577.db2.gz CFQPOFALRDIOHO-UHFFFAOYSA-N 0 0 436.320 4.119 50 0 IIAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000006577349 562947536 /nfs/dbraw/zinc/94/75/36/562947536.db2.gz NPNCEYPLLSDNDA-QFIPXVFZSA-N 0 0 428.444 4.345 50 0 IIAARN CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000006577645 562947746 /nfs/dbraw/zinc/94/77/46/562947746.db2.gz VRKOASDRBNQPPH-OAHLLOKOSA-N 0 0 426.567 4.223 50 0 IIAARN O=C1c2ccccc2[C@@H](Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1 ZINC000006578176 562948056 /nfs/dbraw/zinc/94/80/56/562948056.db2.gz PQHPJWNLJQMHGA-QHCPKHFHSA-N 0 0 448.548 4.027 50 0 aggregator IIAARN COc1cc(OC)c(N(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc1Cl ZINC000008588288 562950649 /nfs/dbraw/zinc/95/06/49/562950649.db2.gz QSRIWRGQGZFGJB-UHFFFAOYSA-N 0 0 447.944 4.050 50 0 IIAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000008590367 562951613 /nfs/dbraw/zinc/95/16/13/562951613.db2.gz PLIJAKPQBUOMQS-UHFFFAOYSA-N 0 0 434.517 4.263 50 0 IIAARN COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008590313 562951618 /nfs/dbraw/zinc/95/16/18/562951618.db2.gz SPEMHYHCFUPRPR-QFIPXVFZSA-N 0 0 431.419 4.392 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008590385 562951640 /nfs/dbraw/zinc/95/16/40/562951640.db2.gz RIXVBGIRUBSTGG-OAQYLSRUSA-N 0 0 435.407 4.375 50 0 IIAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)c3ccccc3)c2=O)cc1 ZINC000008591872 562952163 /nfs/dbraw/zinc/95/21/63/562952163.db2.gz UBBJEEQSGZYNRB-UHFFFAOYSA-N 0 0 434.517 4.112 50 0 IIAARN COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1 ZINC000008593104 562952560 /nfs/dbraw/zinc/95/25/60/562952560.db2.gz XGLZZKWMKKTVOY-UHFFFAOYSA-N 0 0 440.496 4.035 50 0 IIAARN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000008593625 562952834 /nfs/dbraw/zinc/95/28/34/562952834.db2.gz NQLROKMYKZYEDB-UHFFFAOYSA-N 0 0 428.414 4.400 50 0 IIAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(F)cc2)c1S(=O)(=O)c1ccccc1 ZINC000008593973 562952924 /nfs/dbraw/zinc/95/29/24/562952924.db2.gz UJIDVZMQIBSYTJ-UHFFFAOYSA-N 0 0 436.464 4.372 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)cc1 ZINC000008596385 562953781 /nfs/dbraw/zinc/95/37/81/562953781.db2.gz ZDJPADVCMFIBMG-UHFFFAOYSA-N 0 0 428.529 4.199 50 0 IIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(Cl)s4)ccc32)cc1 ZINC000008599466 562954716 /nfs/dbraw/zinc/95/47/16/562954716.db2.gz KWKLEMPASFOXCO-UHFFFAOYSA-N 0 0 446.981 4.391 50 0 aggregator IIAARN COc1ccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1OC ZINC000008607222 562957298 /nfs/dbraw/zinc/95/72/98/562957298.db2.gz WSSBIMNFULHZNO-UHFFFAOYSA-N 0 0 444.531 4.074 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCc3cccc(Cl)c3)C2)s1 ZINC000008610518 562958200 /nfs/dbraw/zinc/95/82/00/562958200.db2.gz JPXRBFOPQRCMBA-QGZVFWFLSA-N 0 0 429.977 4.132 50 0 IIAARN Cc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611967 562958841 /nfs/dbraw/zinc/95/88/41/562958841.db2.gz KFZFTBCMUOORTR-IBGZPJMESA-N 0 0 431.941 4.153 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl ZINC000008613840 562959450 /nfs/dbraw/zinc/95/94/50/562959450.db2.gz GRACNRKUJDWTCM-LBPRGKRZSA-N 0 0 440.912 4.382 50 0 IIAARN COc1ccc(-c2nc(CNS(=O)(=O)c3ccc(Br)cc3)cs2)cc1 ZINC000008614262 562959603 /nfs/dbraw/zinc/95/96/03/562959603.db2.gz KBEALRDODQMQNL-UHFFFAOYSA-N 0 0 439.356 4.060 50 0 IIAARN Cn1c(SCc2ccccc2Cl)nc(=O)c2c1NC(=O)C[C@@H]2c1cc(F)ccc1F ZINC000008614142 562959613 /nfs/dbraw/zinc/95/96/13/562959613.db2.gz NMJQBQKTHMMGHQ-CQSZACIVSA-N 0 0 447.894 4.478 50 0 IIAARN CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000008619217 562959875 /nfs/dbraw/zinc/95/98/75/562959875.db2.gz CTTOHIIMNMVZIV-UHFFFAOYSA-N 0 0 432.445 4.299 50 0 IIAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000008619422 562959876 /nfs/dbraw/zinc/95/98/76/562959876.db2.gz GDXDWMWNVDPKTQ-UHFFFAOYSA-N 0 0 436.899 4.050 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccnc2Cl)cc1 ZINC000008691184 562963370 /nfs/dbraw/zinc/96/33/70/562963370.db2.gz WDHQHGRQXAYJTA-OAQYLSRUSA-N 0 0 449.894 4.278 50 0 IIAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@H](O)c1ccccc1 ZINC000008790121 562964117 /nfs/dbraw/zinc/96/41/17/562964117.db2.gz SZMPKPFIHMELAR-HXOBKFHXSA-N 0 0 429.472 4.077 50 0 biogenic IIAARN CC[C@@H](c1nnc(SCC(=O)Nc2c(F)cccc2F)n1Cc1ccccc1)N(C)C 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/nfs/dbraw/zinc/81/66/35/568816635.db2.gz NPOYSVVERSWAFV-UHFFFAOYSA-N 0 0 425.370 4.480 50 0 IIAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2C(N)=O)cc1 ZINC000085421454 568819653 /nfs/dbraw/zinc/81/96/53/568819653.db2.gz WQVUBPKEIGQUSL-UHFFFAOYSA-N 0 0 430.533 4.258 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)cc2)c(C(=O)OCC)c1C ZINC000001466001 568820279 /nfs/dbraw/zinc/82/02/79/568820279.db2.gz OAHYMOINBRJDQT-UHFFFAOYSA-N 0 0 427.425 4.264 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)c(C)o2)cc1 ZINC000015774824 568823262 /nfs/dbraw/zinc/82/32/62/568823262.db2.gz OZXDPKHWYLLDOC-UHFFFAOYSA-N 0 0 438.503 4.456 50 0 IIAARN CCOC(=O)C(C(=O)OCC)c1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000006089265 568823305 /nfs/dbraw/zinc/82/33/05/568823305.db2.gz ZDEZZMLIUTZJFT-UHFFFAOYSA-N 0 0 440.887 4.205 50 0 IIAARN COc1cccc(Cn2c(C)c(C[NH2+]Cc3cccc(OC)c3OC)c(C(=O)[O-])c2C)c1 ZINC000015777092 568823758 /nfs/dbraw/zinc/82/37/58/568823758.db2.gz LYKWHONSKJWXGN-UHFFFAOYSA-N 0 0 438.524 4.167 50 0 IIAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])cc1OC ZINC000015776828 568824011 /nfs/dbraw/zinc/82/40/11/568824011.db2.gz JYHUXHUEUQVIPC-UHFFFAOYSA-N 0 0 440.515 4.340 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(OC(C)C)cc2)c2ccco2)cc1 ZINC000015781105 568825568 /nfs/dbraw/zinc/82/55/68/568825568.db2.gz APEMMBQSRKNOFF-JOCHJYFZSA-N 0 0 443.521 4.020 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3F)N2C1=O ZINC000015783387 568826769 /nfs/dbraw/zinc/82/67/69/568826769.db2.gz SXYUEWJURARIFT-QGZVFWFLSA-N 0 0 428.464 4.095 50 0 IIAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000015783628 568827242 /nfs/dbraw/zinc/82/72/42/568827242.db2.gz DJXNUXGMNYVXPC-DEYYWGMASA-N 0 0 440.594 4.191 50 0 IIAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)N(CC)Cc4ccccc4)n3n2)cc1 ZINC000085602395 568827281 /nfs/dbraw/zinc/82/72/81/568827281.db2.gz JQASABKCLYVSIH-UHFFFAOYSA-N 0 0 447.564 4.200 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000015785202 568829967 /nfs/dbraw/zinc/82/99/67/568829967.db2.gz OWPRKHXXEIOAOT-UHFFFAOYSA-N 0 0 444.466 4.043 50 0 IIAARN COc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(OC)c1 ZINC000085651541 568831475 /nfs/dbraw/zinc/83/14/75/568831475.db2.gz DRGQSGDDNXPYGV-UHFFFAOYSA-N 0 0 431.414 4.418 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 ZINC000001302541 568836597 /nfs/dbraw/zinc/83/65/97/568836597.db2.gz PUJRJXMARVFHOF-UHFFFAOYSA-N 0 0 445.500 4.154 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Br)cc2)N2C(=O)CCSC2=N1 ZINC000002486140 568838234 /nfs/dbraw/zinc/83/82/34/568838234.db2.gz LFHYSYJSKNOHFR-QGZVFWFLSA-N 0 0 437.359 4.299 50 0 IIAARN COC(=O)c1ccc([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3cccc(OC)c32)cc1 ZINC000085878128 568838775 /nfs/dbraw/zinc/83/87/75/568838775.db2.gz HLAVITBIGNBXIT-LJQANCHMSA-N 0 0 432.476 4.395 50 0 biogenic IIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230129325 568839139 /nfs/dbraw/zinc/83/91/39/568839139.db2.gz BDKCWXZHYWYCQR-VPUSJEBWSA-N 0 0 441.575 4.188 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(C)cc1C ZINC000015823977 568840434 /nfs/dbraw/zinc/84/04/34/568840434.db2.gz JYHNUDJWBCXUAN-UHFFFAOYSA-N 0 0 430.555 4.177 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000015828286 568841247 /nfs/dbraw/zinc/84/12/47/568841247.db2.gz BYBPXWOZLDPAMM-JOCHJYFZSA-N 0 0 437.540 4.311 50 0 IIAARN CCc1ccc(-c2nn3ccnc(N4CCN(c5ccccc5OC)CC4)c3c2C=O)cc1 ZINC000015829465 568841305 /nfs/dbraw/zinc/84/13/05/568841305.db2.gz DVKCEQHGZMSKME-UHFFFAOYSA-N 0 0 441.535 4.106 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1sc2ccccc2c1Br ZINC000025695176 568842719 /nfs/dbraw/zinc/84/27/19/568842719.db2.gz LEVIMJHGENMODR-UHFFFAOYSA-N 0 0 436.327 4.245 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000025694997 568842733 /nfs/dbraw/zinc/84/27/33/568842733.db2.gz PSXJUZUZMZRPRB-UHFFFAOYSA-N 0 0 441.911 4.500 50 0 IIAARN Cc1cc(OCc2nnc(SCCN3CCOCC3)n2-c2ccccc2)ccc1Cl ZINC000026098850 568844808 /nfs/dbraw/zinc/84/48/08/568844808.db2.gz NYNSAWSSKVOLFG-UHFFFAOYSA-N 0 0 444.988 4.232 50 0 IIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1O[C@@H]3c1ccccc1)n(C)c(=O)n(C)c2=O ZINC000015858797 568846945 /nfs/dbraw/zinc/84/69/45/568846945.db2.gz VTZQFSZVXOFHRV-AREMUKBSSA-N 0 0 449.510 4.485 50 0 IIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1O[C@H]3c1ccco1)n(C)c(=O)n(C)c2=O ZINC000015858836 568846981 /nfs/dbraw/zinc/84/69/81/568846981.db2.gz PKOCVRVPMTXRFI-DEOSSOPVSA-N 0 0 439.471 4.078 50 0 IIAARN O=C(CSC1=NC(c2ccccc2)=NCN1c1ccc(F)cc1)Nc1nccs1 ZINC000015860613 568847787 /nfs/dbraw/zinc/84/77/87/568847787.db2.gz RPGNCGVSRGBFOO-UHFFFAOYSA-N 0 0 425.514 4.234 50 0 IIAARN COc1ccc(OC)c(NC(=O)N[C@@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 ZINC000015861254 568848054 /nfs/dbraw/zinc/84/80/54/568848054.db2.gz IHDFVGHUPUDSPN-IBGZPJMESA-N 0 0 434.492 4.408 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000015862097 568848437 /nfs/dbraw/zinc/84/84/37/568848437.db2.gz JWPDQEPJSRAJSU-UHFFFAOYSA-N 0 0 439.518 4.358 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)/C=C/c2cc(Br)ccc2OCC)n1 ZINC000006163303 568849252 /nfs/dbraw/zinc/84/92/52/568849252.db2.gz YCZLVTQFPUOWEF-VMPITWQZSA-N 0 0 439.331 4.062 50 0 IIAARN Cn1c(CCc2cccc(NC(=O)CCC(=O)N3CCCCCC3)c2)nc2ccccc21 ZINC000015863705 568849545 /nfs/dbraw/zinc/84/95/45/568849545.db2.gz JIMIOMUZWSPDKY-UHFFFAOYSA-N 0 0 432.568 4.480 50 0 IIAARN CCc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 ZINC000015864384 568849746 /nfs/dbraw/zinc/84/97/46/568849746.db2.gz ZQABUBPRLYUPJU-UHFFFAOYSA-N 0 0 427.548 4.480 50 0 IIAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nn1 ZINC000015880835 568854501 /nfs/dbraw/zinc/85/45/01/568854501.db2.gz UYAZAVDRCFPYND-UHFFFAOYSA-N 0 0 435.427 4.208 50 0 IIAARN COc1ccc2nc(N3CCN(C(=O)c4ccc(Br)s4)CC3)sc2c1 ZINC000015882386 568856472 /nfs/dbraw/zinc/85/64/72/568856472.db2.gz HYUOISUSSAAAFV-UHFFFAOYSA-N 0 0 438.372 4.091 50 0 IIAARN CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)nn2)CC1 ZINC000015882204 568856832 /nfs/dbraw/zinc/85/68/32/568856832.db2.gz OBLXCVHJPNCNAI-UHFFFAOYSA-N 0 0 426.517 4.320 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000015883270 568857378 /nfs/dbraw/zinc/85/73/78/568857378.db2.gz VRVDZMHKJZQNJB-UHFFFAOYSA-N 0 0 444.409 4.344 50 0 IIAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc(C(F)(F)F)c1 ZINC000015883707 568857774 /nfs/dbraw/zinc/85/77/74/568857774.db2.gz YZOQYMJRCCQQAJ-UHFFFAOYSA-N 0 0 437.487 4.142 50 0 IIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000015898598 568858272 /nfs/dbraw/zinc/85/82/72/568858272.db2.gz GDJTZVDAWZSBHY-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c3=O)c1C ZINC000016047547 568869045 /nfs/dbraw/zinc/86/90/45/568869045.db2.gz NCSQEIHCEDSXMI-UHFFFAOYSA-N 0 0 442.306 4.145 50 0 IIAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000016048011 568869350 /nfs/dbraw/zinc/86/93/50/568869350.db2.gz BBKCSFXMYXAHFQ-UHFFFAOYSA-N 0 0 442.493 4.220 50 0 IIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026198630 568875684 /nfs/dbraw/zinc/87/56/84/568875684.db2.gz GSXOWBBXHXBMAM-UHFFFAOYSA-N 0 0 442.471 4.068 50 0 IIAARN O=C(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccccc1Br ZINC000035478792 568882787 /nfs/dbraw/zinc/88/27/87/568882787.db2.gz JBUWHWGKABXDIJ-UHFFFAOYSA-N 0 0 449.352 4.409 50 0 IIAARN COc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000010584374 568884476 /nfs/dbraw/zinc/88/44/76/568884476.db2.gz KLGMGNUYOVTVDN-QFIPXVFZSA-N 0 0 429.520 4.213 50 0 IIAARN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010511938 568884487 /nfs/dbraw/zinc/88/44/87/568884487.db2.gz CYHVRTIOUNHQNX-UHFFFAOYSA-N 0 0 431.004 4.163 50 0 IIAARN COC[C@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000011021421 568884676 /nfs/dbraw/zinc/88/46/76/568884676.db2.gz NQFPFKGEQMBTBN-AWEZNQCLSA-N 0 0 437.487 4.347 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)[C@@H]3CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000090594460 568889220 /nfs/dbraw/zinc/88/92/20/568889220.db2.gz SJIUJMSORSQYSR-KRWDZBQOSA-N 0 0 444.413 4.408 50 0 IIAARN COc1ccc(SCC2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 ZINC000090608298 568891223 /nfs/dbraw/zinc/89/12/23/568891223.db2.gz NZCCTNJOQFPBMM-UHFFFAOYSA-N 0 0 425.547 4.036 50 0 IIAARN Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)cs2)n1 ZINC000090609401 568891789 /nfs/dbraw/zinc/89/17/89/568891789.db2.gz ITDPBZAHTCRHTB-UHFFFAOYSA-N 0 0 445.397 4.082 50 0 IIAARN COc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1 ZINC000035552431 568893327 /nfs/dbraw/zinc/89/33/27/568893327.db2.gz LUFOVGXMVVAWRX-GOSISDBHSA-N 0 0 446.507 4.394 50 0 IIAARN O=C(/C=C/c1ccccc1Br)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000016112341 568893649 /nfs/dbraw/zinc/89/36/49/568893649.db2.gz IETKJOKCQYZLOM-MDZDMXLPSA-N 0 0 429.314 4.045 50 0 IIAARN C[C@H]1Cc2cc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc2N1S(C)(=O)=O ZINC000012986336 568895083 /nfs/dbraw/zinc/89/50/83/568895083.db2.gz JEVAHNIWIVYNJM-NSHDSACASA-N 0 0 449.504 4.051 50 0 IIAARN Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)ccc2o1 ZINC000013004979 568899001 /nfs/dbraw/zinc/89/90/01/568899001.db2.gz OLRTTZFXJOTANR-UHFFFAOYSA-N 0 0 433.917 4.217 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000013019451 568902028 /nfs/dbraw/zinc/90/20/28/568902028.db2.gz MIFZPNUCXOTMCK-CYBMUJFWSA-N 0 0 445.472 4.256 50 0 IIAARN Brc1cccc(-c2nc(CSc3nnnn3C[C@H]3CCCO3)cs2)c1 ZINC000013023458 568902450 /nfs/dbraw/zinc/90/24/50/568902450.db2.gz WCAWEBVGIPXYJI-CQSZACIVSA-N 0 0 438.376 4.030 50 0 IIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1nnc2ccccn21 ZINC000001802657 568908437 /nfs/dbraw/zinc/90/84/37/568908437.db2.gz OWSYTZMQADYKKL-UHFFFAOYSA-N 0 0 444.563 4.427 50 0 IIAARN O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000239030692 568910457 /nfs/dbraw/zinc/91/04/57/568910457.db2.gz CHLMOMWZBYUKOB-VAMGGRTRSA-N 0 0 440.931 4.012 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000245255824 568913756 /nfs/dbraw/zinc/91/37/56/568913756.db2.gz LJWDNAYHOZIOJR-UAPYVXQJSA-N 0 0 425.554 4.200 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)cc2)[C@H]1C ZINC000245298297 568914356 /nfs/dbraw/zinc/91/43/56/568914356.db2.gz ZMBJDGPJNZNSSU-RASOFNIGSA-N 0 0 427.932 4.478 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O ZINC000248214177 568919082 /nfs/dbraw/zinc/91/90/82/568919082.db2.gz FOARPMTZBABSKS-SBFWRKJZSA-N 0 0 428.532 4.253 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1CC ZINC000064370099 568920027 /nfs/dbraw/zinc/92/00/27/568920027.db2.gz AXZGRIORAKUYDL-UHFFFAOYSA-N 0 0 438.582 4.450 50 0 IIAARN CCCCc1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 ZINC000001935153 568923523 /nfs/dbraw/zinc/92/35/23/568923523.db2.gz RLKFHEXFDDOIDE-UHFFFAOYSA-N 0 0 437.277 4.429 50 0 IIAARN C[C@@H]1S[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(Cl)cc2)C1=O ZINC000016608092 568925403 /nfs/dbraw/zinc/92/54/03/568925403.db2.gz DMYXMGLSAGGQPH-QMHKHESXSA-N 0 0 441.984 4.451 50 0 IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2)C(C(=O)OC)=C1C ZINC000016609938 568925606 /nfs/dbraw/zinc/92/56/06/568925606.db2.gz ABMGCTMZBGNOHT-RZUBCFFCSA-N 0 0 449.576 4.127 50 0 IIAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000089499573 568927691 /nfs/dbraw/zinc/92/76/91/568927691.db2.gz KNAWFOMQWDEAED-UHFFFAOYSA-N 0 0 438.531 4.302 50 0 IIAARN CCCC(=O)N1CCN(c2nn3c(nc(-c4ccccc4C)c3NC(C)(C)C)s2)CC1 ZINC000064450796 568928867 /nfs/dbraw/zinc/92/88/67/568928867.db2.gz XXYWNWKZCCRCEL-UHFFFAOYSA-N 0 0 440.617 4.425 50 0 IIAARN CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)c1 ZINC000064471895 568929861 /nfs/dbraw/zinc/92/98/61/568929861.db2.gz CPYVNXNXTJGTBQ-UHFFFAOYSA-N 0 0 439.487 4.387 50 0 IIAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)NC4CCCCC4)CC2)n1)CCCC3 ZINC000035867182 568929893 /nfs/dbraw/zinc/92/98/93/568929893.db2.gz SLAQOJHOBANHAU-UHFFFAOYSA-N 0 0 427.618 4.297 50 0 IIAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)cc2-c2cccnc2)cc1 ZINC000064472855 568929930 /nfs/dbraw/zinc/92/99/30/568929930.db2.gz KYHKVBDOMYYQKO-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN CCOc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1 ZINC000064565912 568932654 /nfs/dbraw/zinc/93/26/54/568932654.db2.gz RHDZEDIOEVZJSV-UHFFFAOYSA-N 0 0 438.503 4.265 50 0 IIAARN CCc1cccc(NC(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)c1 ZINC000064566419 568933191 /nfs/dbraw/zinc/93/31/91/568933191.db2.gz PTRVMSDOQBTKCI-UHFFFAOYSA-N 0 0 428.496 4.290 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035947243 568933422 /nfs/dbraw/zinc/93/34/22/568933422.db2.gz LYMXQVRZHZNLRO-FQEVSTJZSA-N 0 0 428.483 4.082 50 0 IIAARN Cc1ccc(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)cc1 ZINC000064593854 568936216 /nfs/dbraw/zinc/93/62/16/568936216.db2.gz MZURTUWQJRHPPL-UHFFFAOYSA-N 0 0 427.327 4.243 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C3 ZINC000030904002 568937358 /nfs/dbraw/zinc/93/73/58/568937358.db2.gz ROGAPRJVRIWULF-FQEVSTJZSA-N 0 0 444.318 4.174 50 0 biogenic IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(CCCO)Cc3cccnc3)cc12 ZINC000089568268 568937831 /nfs/dbraw/zinc/93/78/31/568937831.db2.gz WQJHXHSPCRYLIV-UHFFFAOYSA-N 0 0 438.528 4.013 50 0 IIAARN CCc1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O ZINC000064605262 568939653 /nfs/dbraw/zinc/93/96/53/568939653.db2.gz LLHKXDIBYVSWIN-QGZVFWFLSA-N 0 0 432.524 4.267 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000064605365 568939663 /nfs/dbraw/zinc/93/96/63/568939663.db2.gz PYJHKNHGBGVBOX-QGZVFWFLSA-N 0 0 448.523 4.022 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027063573 568940752 /nfs/dbraw/zinc/94/07/52/568940752.db2.gz PFFYFVBFFDEHOQ-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)N1CCN(c2ccccc2)CC1 ZINC000064675527 568943850 /nfs/dbraw/zinc/94/38/50/568943850.db2.gz MUNJQDREBNCWFR-UHFFFAOYSA-N 0 0 428.511 4.422 50 0 IIAARN CC[C@H](C)NC(=O)CN(C)c1nn2c(nc(-c3ccc(C)cc3)c2NC(C)(C)C)s1 ZINC000064703977 568944456 /nfs/dbraw/zinc/94/44/56/568944456.db2.gz MZUDRMNEDLBIBA-HNNXBMFYSA-N 0 0 428.606 4.328 50 0 IIAARN CC1CCN(C(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064704351 568944592 /nfs/dbraw/zinc/94/45/92/568944592.db2.gz FQSWCUFGHUUEMU-UHFFFAOYSA-N 0 0 440.617 4.363 50 0 IIAARN CC(C)CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704380 568944623 /nfs/dbraw/zinc/94/46/23/568944623.db2.gz MPKGBVUUUOJGBH-UHFFFAOYSA-N 0 0 428.606 4.267 50 0 IIAARN COc1cccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC3CC3)co2)c1 ZINC000036065717 568945056 /nfs/dbraw/zinc/94/50/56/568945056.db2.gz YWORTWKLRIJJQQ-UHFFFAOYSA-N 0 0 444.535 4.302 50 0 IIAARN CCN(C)C(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2Cl)n1 ZINC000036065768 568945099 /nfs/dbraw/zinc/94/50/99/568945099.db2.gz ZVDWDTMELOCYMJ-UHFFFAOYSA-N 0 0 441.915 4.351 50 0 IIAARN COCCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C)cc2C)n1 ZINC000036072524 568946279 /nfs/dbraw/zinc/94/62/79/568946279.db2.gz AVMCFTGBNXQHQP-UHFFFAOYSA-N 0 0 425.504 4.009 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(COc3cc(Cl)ccc3Cl)n2)C1 ZINC000036084671 568947822 /nfs/dbraw/zinc/94/78/22/568947822.db2.gz UXMIWZSBMXISOA-LBPRGKRZSA-N 0 0 443.352 4.444 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000064746299 568948803 /nfs/dbraw/zinc/94/88/03/568948803.db2.gz SMQZACVVCZXLDW-UHFFFAOYSA-N 0 0 427.302 4.029 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(F)cc2Cl)c1=O ZINC000064746867 568949510 /nfs/dbraw/zinc/94/95/10/568949510.db2.gz AGUXTWIQZHJDNE-UHFFFAOYSA-N 0 0 430.892 4.363 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000064746904 568949809 /nfs/dbraw/zinc/94/98/09/568949809.db2.gz VMRONIWKQWZXOK-UHFFFAOYSA-N 0 0 430.892 4.363 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1OC ZINC000064747766 568950233 /nfs/dbraw/zinc/95/02/33/568950233.db2.gz FPCHMMCAFULCSK-UHFFFAOYSA-N 0 0 437.477 4.222 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CCn2nnc3cc(C(=O)NC4CCCCC4)ccc32)c(C)c1 ZINC000064748006 568950638 /nfs/dbraw/zinc/95/06/38/568950638.db2.gz BOHFNRIEGYOICS-LJQANCHMSA-N 0 0 447.583 4.378 50 0 IIAARN CCC(=O)Nc1cn(-c2cccc(C(=O)NCc3ccc(Br)cc3)c2)nc1C ZINC000064757029 568951408 /nfs/dbraw/zinc/95/14/08/568951408.db2.gz OPBBICLIBIMCSZ-UHFFFAOYSA-N 0 0 441.329 4.222 50 0 IIAARN CCN(CC)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000006695513 568952559 /nfs/dbraw/zinc/95/25/59/568952559.db2.gz WHRUOBSGMLYCHV-UHFFFAOYSA-N 0 0 430.618 4.289 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036115595 568955458 /nfs/dbraw/zinc/95/54/58/568955458.db2.gz ZXYONJUJFUOOGS-FQEVSTJZSA-N 0 0 434.989 4.411 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)[C@@H](C)CC ZINC000036117765 568955943 /nfs/dbraw/zinc/95/59/43/568955943.db2.gz GJPBZRTYGVQXRO-HKUYNNGSSA-N 0 0 444.597 4.299 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C(C)C)cc1 ZINC000036120179 568957144 /nfs/dbraw/zinc/95/71/44/568957144.db2.gz NBPRMUNKKXPWOF-JOCHJYFZSA-N 0 0 440.609 4.456 50 0 IIAARN COc1ccccc1-n1c(C[C@H]2c3ccccc3N(C(C)C)C2=O)nc2ccccc2c1=O ZINC000064790062 568957393 /nfs/dbraw/zinc/95/73/93/568957393.db2.gz GIXDKFAVSCMHHL-FQEVSTJZSA-N 0 0 439.515 4.476 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120420 568957455 /nfs/dbraw/zinc/95/74/55/568957455.db2.gz NIMLGXHTRQKGRM-OXJNMPFZSA-N 0 0 444.572 4.429 50 0 IIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 ZINC000036120462 568957502 /nfs/dbraw/zinc/95/75/02/568957502.db2.gz ULIDHCCBGSBMAP-HXUWFJFHSA-N 0 0 444.572 4.429 50 0 IIAARN Cc1cc(Nc2ccc(C(=O)N3CCC(C)CC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791463 568957730 /nfs/dbraw/zinc/95/77/30/568957730.db2.gz KZDVJDDQKXNIOC-UHFFFAOYSA-N 0 0 427.512 4.110 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)CC(C)C ZINC000036121828 568957987 /nfs/dbraw/zinc/95/79/87/568957987.db2.gz XWOWWZBXHCAAND-FQEVSTJZSA-N 0 0 428.598 4.456 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121448 568958403 /nfs/dbraw/zinc/95/84/03/568958403.db2.gz JJVBNOLBCVXWGV-HRAATJIYSA-N 0 0 444.572 4.429 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036123291 568958740 /nfs/dbraw/zinc/95/87/40/568958740.db2.gz ZLCOCAIVEGCBEH-HXUWFJFHSA-N 0 0 447.576 4.224 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccccc3Cl)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000064791814 568959109 /nfs/dbraw/zinc/95/91/09/568959109.db2.gz RQTUHDBUXSPLFZ-UHFFFAOYSA-N 0 0 442.306 4.188 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccccc3Cl)C(=O)c3cccc(Cl)c3)nn2c(=O)c1C ZINC000064791818 568959145 /nfs/dbraw/zinc/95/91/45/568959145.db2.gz UNRQEUGTZKXBOK-UHFFFAOYSA-N 0 0 442.306 4.188 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2cccc(C)c2)cc1 ZINC000064792727 568959339 /nfs/dbraw/zinc/95/93/39/568959339.db2.gz MDYOXUYLCWAUAJ-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)Nc1ccccc1 ZINC000064792890 568959541 /nfs/dbraw/zinc/95/95/41/568959541.db2.gz KERFQKZZVFITIT-JOCHJYFZSA-N 0 0 442.910 4.416 50 0 IIAARN C[C@H]1CCCCN1C(=O)CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000064793547 568959794 /nfs/dbraw/zinc/95/97/94/568959794.db2.gz KOAJOQIYCMUOBY-HTAPYJJXSA-N 0 0 448.958 4.178 50 0 IIAARN COc1cccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c1 ZINC000064800424 568961224 /nfs/dbraw/zinc/96/12/24/568961224.db2.gz QDYADGIOLRKKIW-UHFFFAOYSA-N 0 0 432.528 4.200 50 0 IIAARN COCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722114 568963064 /nfs/dbraw/zinc/96/30/64/568963064.db2.gz OKUGQZGHJQLEBL-QGZVFWFLSA-N 0 0 429.536 4.164 50 0 IIAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000006723182 568963333 /nfs/dbraw/zinc/96/33/33/568963333.db2.gz SEMIHQNEYKFSCS-NRFANRHFSA-N 0 0 427.520 4.062 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 ZINC000064815688 568963429 /nfs/dbraw/zinc/96/34/29/568963429.db2.gz PRCBNFHSAMFKNC-DEOSSOPVSA-N 0 0 434.565 4.085 50 0 IIAARN COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064813919 568963814 /nfs/dbraw/zinc/96/38/14/568963814.db2.gz LXODBFWVBUDLCG-UHFFFAOYSA-N 0 0 445.523 4.013 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000064816252 568965065 /nfs/dbraw/zinc/96/50/65/568965065.db2.gz XNEGGLMLUWEHLE-VWLOTQADSA-N 0 0 432.524 4.238 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccc(C)o3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819609 568966617 /nfs/dbraw/zinc/96/66/17/568966617.db2.gz VKCPPXYZEBQWSN-UHFFFAOYSA-N 0 0 444.535 4.122 50 0 IIAARN COc1cc(OC)c(NC(=O)N(C)CCc2noc(COc3ccccc3)n2)cc1Cl ZINC000064840043 568969753 /nfs/dbraw/zinc/96/97/53/568969753.db2.gz WVZPVBKJSKRQNW-UHFFFAOYSA-N 0 0 446.891 4.026 50 0 IIAARN O=S(=O)(Cc1ccccc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848088 568971319 /nfs/dbraw/zinc/97/13/19/568971319.db2.gz QUZIZLRDKPBGOF-UHFFFAOYSA-N 0 0 427.957 4.377 50 0 biogenic IIAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)cc1 ZINC000064859516 568972424 /nfs/dbraw/zinc/97/24/24/568972424.db2.gz FSDSXUCYTIYORX-UHFFFAOYSA-N 0 0 443.572 4.448 50 0 IIAARN CCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862268 568974149 /nfs/dbraw/zinc/97/41/49/568974149.db2.gz GCSUHWIOAPKOGB-UHFFFAOYSA-N 0 0 427.570 4.455 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1cccc(C)c1 ZINC000064867017 568974806 /nfs/dbraw/zinc/97/48/06/568974806.db2.gz KNTWQTZFHQVZRW-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N(C)c3ccc(C)cc3)c2)c1C ZINC000064867314 568975212 /nfs/dbraw/zinc/97/52/12/568975212.db2.gz QTLQHUFCRRXRPU-UHFFFAOYSA-N 0 0 426.538 4.402 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869693 568976380 /nfs/dbraw/zinc/97/63/80/568976380.db2.gz IBJIZVSDRLGFEP-UHFFFAOYSA-N 0 0 425.510 4.360 50 0 IIAARN Cc1ccc(-c2nnc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)c4ccccc4n23)cc1 ZINC000064871777 568977922 /nfs/dbraw/zinc/97/79/22/568977922.db2.gz HKFNCZYXFDARHG-UHFFFAOYSA-N 0 0 437.503 4.275 50 0 IIAARN COc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000064871966 568977942 /nfs/dbraw/zinc/97/79/42/568977942.db2.gz IMMVCLYMGBKYQC-UHFFFAOYSA-N 0 0 430.551 4.451 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(Cl)ccc1C ZINC000064889031 568980031 /nfs/dbraw/zinc/98/00/31/568980031.db2.gz NMULZAXVNMXPDS-UHFFFAOYSA-N 0 0 448.976 4.057 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(CC(C)C)nn(-c3ccc(F)cc3)c2CC)C1 ZINC000006770152 568980792 /nfs/dbraw/zinc/98/07/92/568980792.db2.gz QTSSRXUCSWEWDO-QGZVFWFLSA-N 0 0 429.536 4.188 50 0 IIAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248405 568982621 /nfs/dbraw/zinc/98/26/21/568982621.db2.gz QLNMVODWIFCTAT-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249159 568983071 /nfs/dbraw/zinc/98/30/71/568983071.db2.gz OSYVMVBYMWCRRB-UHFFFAOYSA-N 0 0 427.476 4.095 50 0 IIAARN CC[C@@H](C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036252126 568984138 /nfs/dbraw/zinc/98/41/38/568984138.db2.gz OZBNJFSFKBWMHM-QRWLVFNGSA-N 0 0 440.415 4.225 50 0 IIAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCC3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255131 568985050 /nfs/dbraw/zinc/98/50/50/568985050.db2.gz QOJPGYSLYULDQB-DEOSSOPVSA-N 0 0 425.617 4.008 50 0 IIAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(C)cc1Cl ZINC000064924504 568986263 /nfs/dbraw/zinc/98/62/63/568986263.db2.gz LUHMIEVDCMZOEX-UHFFFAOYSA-N 0 0 438.963 4.412 50 0 IIAARN CCc1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)c1 ZINC000064924806 568986376 /nfs/dbraw/zinc/98/63/76/568986376.db2.gz NSXPHVCFTMYWNR-UHFFFAOYSA-N 0 0 432.572 4.403 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000064924824 568986395 /nfs/dbraw/zinc/98/63/95/568986395.db2.gz FIWOEXKLIDNEJM-UHFFFAOYSA-N 0 0 440.498 4.119 50 0 IIAARN Cc1cccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)CC2)c1 ZINC000064927882 568986758 /nfs/dbraw/zinc/98/67/58/568986758.db2.gz IFIJEBIIRZMGSL-UHFFFAOYSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(-n2nc(N3CCC(C(=O)Nc4cccc(F)c4)CC3)ccc2=O)cc1Cl ZINC000064927771 568986840 /nfs/dbraw/zinc/98/68/40/568986840.db2.gz ZATOZLGASPSBBU-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1OC ZINC000064929060 568987231 /nfs/dbraw/zinc/98/72/31/568987231.db2.gz YAGXKCQEFSVJFI-KRWDZBQOSA-N 0 0 436.487 4.155 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)s1 ZINC000064929928 568988252 /nfs/dbraw/zinc/98/82/52/568988252.db2.gz FEFGCJCXKPPULO-HNNXBMFYSA-N 0 0 432.427 4.185 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930520 568988882 /nfs/dbraw/zinc/98/88/82/568988882.db2.gz RKGZSQYGAQWQQA-QGZVFWFLSA-N 0 0 441.488 4.307 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169677452 568989640 /nfs/dbraw/zinc/98/96/40/568989640.db2.gz FKJGIQFGUGMSAD-AZGAKELHSA-N 0 0 445.538 4.018 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000169677442 568989686 /nfs/dbraw/zinc/98/96/86/568989686.db2.gz IGGSRSKLBWAJMW-UKILVPOCSA-N 0 0 431.511 4.341 50 0 IIAARN CC(C)c1ccc(Cn2c3nn(Cc4cccc(F)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946523 568993562 /nfs/dbraw/zinc/99/35/62/568993562.db2.gz WWXJARPIBBEUGS-UHFFFAOYSA-N 0 0 448.523 4.232 50 0 IIAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000064960786 569000431 /nfs/dbraw/zinc/00/04/31/569000431.db2.gz NJKMYFNKXOSEGE-UHFFFAOYSA-N 0 0 441.553 4.437 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)c(C)o1 ZINC000064967569 569001274 /nfs/dbraw/zinc/00/12/74/569001274.db2.gz NJVHCLAVUQFVSS-UHFFFAOYSA-N 0 0 439.422 4.137 50 0 IIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3cccc(C)c3)c3ccccc32)cc1 ZINC000064971466 569076208 /nfs/dbraw/zinc/07/62/08/569076208.db2.gz YYPQXOJELZZSSQ-UHFFFAOYSA-N 0 0 442.519 4.005 50 0 IIAARN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970837 569076333 /nfs/dbraw/zinc/07/63/33/569076333.db2.gz QIRDAJAFHNYYBU-FQEVSTJZSA-N 0 0 449.942 4.120 50 0 IIAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(C)cc4)oc3C)ccn2n1 ZINC000064977334 569077011 /nfs/dbraw/zinc/07/70/11/569077011.db2.gz WDIOQJKPTOFTMD-UHFFFAOYSA-N 0 0 426.476 4.492 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000064976727 569077129 /nfs/dbraw/zinc/07/71/29/569077129.db2.gz OJUHDZYGENYYCG-FQEVSTJZSA-N 0 0 449.532 4.440 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OCc1cc(=O)n2ccsc2n1 ZINC000064976767 569077259 /nfs/dbraw/zinc/07/72/59/569077259.db2.gz YSWMQVLPFIGDEK-FQEVSTJZSA-N 0 0 449.532 4.440 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341786 569078957 /nfs/dbraw/zinc/07/89/57/569078957.db2.gz KAAKHRURWZDLBC-HSZRJFAPSA-N 0 0 445.494 4.364 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036345081 569080415 /nfs/dbraw/zinc/08/04/15/569080415.db2.gz FUUKFOCHZUYOBX-SANMLTNESA-N 0 0 425.532 4.431 50 0 IIAARN COC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346365 569081144 /nfs/dbraw/zinc/08/11/44/569081144.db2.gz ASNSKYRWAUJFBQ-NRFANRHFSA-N 0 0 425.504 4.084 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000064985263 569081846 /nfs/dbraw/zinc/08/18/46/569081846.db2.gz GDSUAQZNTJNMLJ-QHCPKHFHSA-N 0 0 436.533 4.405 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1Cl ZINC000064985355 569081871 /nfs/dbraw/zinc/08/18/71/569081871.db2.gz GXNAMZPEFSHYPW-NRFANRHFSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)c(C)c1 ZINC000064987240 569082431 /nfs/dbraw/zinc/08/24/31/569082431.db2.gz CGRJZPAIWMQNPK-UHFFFAOYSA-N 0 0 438.553 4.299 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1 ZINC000064987289 569082475 /nfs/dbraw/zinc/08/24/75/569082475.db2.gz LMEFEQGNHYNRAD-UHFFFAOYSA-N 0 0 436.537 4.481 50 0 IIAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCCCO2 ZINC000064987058 569082586 /nfs/dbraw/zinc/08/25/86/569082586.db2.gz SAIALORHRKHHSJ-UHFFFAOYSA-N 0 0 446.528 4.412 50 0 IIAARN COc1ccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCC(C)CC4)c3)o2)cc1 ZINC000064987804 569082801 /nfs/dbraw/zinc/08/28/01/569082801.db2.gz WVPYOAICYNHWNB-UHFFFAOYSA-N 0 0 447.944 4.486 50 0 IIAARN COc1ccccc1-c1nnc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)o1 ZINC000064987935 569082834 /nfs/dbraw/zinc/08/28/34/569082834.db2.gz DJIPRLHMRMIUFS-UHFFFAOYSA-N 0 0 427.526 4.141 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000064989198 569083024 /nfs/dbraw/zinc/08/30/24/569083024.db2.gz DMKDWDHGAMLTKR-UHFFFAOYSA-N 0 0 443.551 4.223 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccccc4C)ccc3C[C@H]2C)cc1 ZINC000064990241 569083261 /nfs/dbraw/zinc/08/32/61/569083261.db2.gz CEPIWNNHPLLTTK-LJQANCHMSA-N 0 0 428.532 4.454 50 0 IIAARN O=C(NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1cc(-c2cccs2)on1 ZINC000064991011 569083566 /nfs/dbraw/zinc/08/35/66/569083566.db2.gz KRDLBJLYZXIUDA-UHFFFAOYSA-N 0 0 445.913 4.090 50 0 IIAARN Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc43)CC2)c(C)c1 ZINC000036352640 569083755 /nfs/dbraw/zinc/08/37/55/569083755.db2.gz LTOCXTVVMVPTRJ-DEOSSOPVSA-N 0 0 448.567 4.327 50 0 IIAARN O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000064998780 569085478 /nfs/dbraw/zinc/08/54/78/569085478.db2.gz APFRDGCAQCOTQB-UHFFFAOYSA-N 0 0 442.809 4.136 50 0 IIAARN Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)n1 ZINC000064998835 569085534 /nfs/dbraw/zinc/08/55/34/569085534.db2.gz FQCBMCBJQMFXGM-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN COc1ccccc1NC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000011 569085789 /nfs/dbraw/zinc/08/57/89/569085789.db2.gz HXRKVPGNBOAJTK-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCc3ccccc3F)c2C1 ZINC000065000282 569085951 /nfs/dbraw/zinc/08/59/51/569085951.db2.gz FVYBNGVWBWJLPK-UHFFFAOYSA-N 0 0 436.458 4.201 50 0 IIAARN Cc1ccc(-n2cc3c(c(C(=O)N4CCc5ccccc5C4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000474 569086043 /nfs/dbraw/zinc/08/60/43/569086043.db2.gz HQRZCVACOIZEMX-UHFFFAOYSA-N 0 0 440.543 4.500 50 0 IIAARN COCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)s1 ZINC000064999733 569086261 /nfs/dbraw/zinc/08/62/61/569086261.db2.gz RKACBVRASBXIGG-UHFFFAOYSA-N 0 0 444.578 4.209 50 0 IIAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)s3)CC2)c1C ZINC000065004076 569086816 /nfs/dbraw/zinc/08/68/16/569086816.db2.gz RARKCIBLJJRHDL-UHFFFAOYSA-N 0 0 443.594 4.408 50 0 IIAARN O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCc1ccccc1F ZINC000065005902 569087283 /nfs/dbraw/zinc/08/72/83/569087283.db2.gz HTZPYEHHKXEFEO-UHFFFAOYSA-N 0 0 435.499 4.403 50 0 IIAARN CCn1c(CN(C)C(=O)Nc2cc(Cl)ccc2OC)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008249 569087380 /nfs/dbraw/zinc/08/73/80/569087380.db2.gz TUAWMMDNTAXFEP-UHFFFAOYSA-N 0 0 443.935 4.084 50 0 IIAARN CCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006881 569087527 /nfs/dbraw/zinc/08/75/27/569087527.db2.gz YNFDXJPVHRUOFX-UHFFFAOYSA-N 0 0 447.576 4.043 50 0 IIAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000065007333 569087624 /nfs/dbraw/zinc/08/76/24/569087624.db2.gz NLEWSOGJIZMKMJ-UHFFFAOYSA-N 0 0 428.598 4.339 50 0 IIAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 ZINC000065007341 569087643 /nfs/dbraw/zinc/08/76/43/569087643.db2.gz XJUPGRCACTXVSJ-UHFFFAOYSA-N 0 0 442.625 4.414 50 0 IIAARN Cc1ccc(-c2ccc(NCCc3ccccc3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009274 569087897 /nfs/dbraw/zinc/08/78/97/569087897.db2.gz AAUMYNILHKQDTG-UHFFFAOYSA-N 0 0 436.581 4.281 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1Cl ZINC000065021322 569088790 /nfs/dbraw/zinc/08/87/90/569088790.db2.gz XEPIJACTCXBTJS-UHFFFAOYSA-N 0 0 434.945 4.184 50 0 IIAARN Cc1nc2onc(-c3ccccc3)c2c(OCC(=O)Nc2ccccc2Br)n1 ZINC000065024575 569089726 /nfs/dbraw/zinc/08/97/26/569089726.db2.gz GJEUQJUPQABWGH-UHFFFAOYSA-N 0 0 439.269 4.373 50 0 IIAARN COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1OC ZINC000169753018 569093336 /nfs/dbraw/zinc/09/33/36/569093336.db2.gz GNSOHLNTWYTIFT-UHFFFAOYSA-N 0 0 440.931 4.100 50 0 IIAARN O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1cccc(Br)c1 ZINC000169755546 569093456 /nfs/dbraw/zinc/09/34/56/569093456.db2.gz DGSBDOLOBFVAHI-UHFFFAOYSA-N 0 0 427.302 4.061 50 0 IIAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c(=O)c(CCO)c(C)nc1-c1ccc(F)cc1 ZINC000169754365 569093811 /nfs/dbraw/zinc/09/38/11/569093811.db2.gz JUENJDWRRJUEAG-UHFFFAOYSA-N 0 0 433.483 4.213 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1c(=O)c(CCO)c(C)nc1-c1ccccc1 ZINC000169754332 569093854 /nfs/dbraw/zinc/09/38/54/569093854.db2.gz UMBDBSHQFKKEDT-UHFFFAOYSA-N 0 0 435.911 4.419 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)CC1 ZINC000169759596 569094084 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/nfs/dbraw/zinc/13/94/65/569139465.db2.gz DUVQRZNYQVYRSZ-GOSISDBHSA-N 0 0 445.445 4.499 50 0 IIAARN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)Nc1nnc(C2CCCCC2)s1 ZINC000065585326 569139924 /nfs/dbraw/zinc/13/99/24/569139924.db2.gz QAOJHXOZZSIMQU-AWEZNQCLSA-N 0 0 444.479 4.166 50 0 IIAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000065609986 569140180 /nfs/dbraw/zinc/14/01/80/569140180.db2.gz JAJHXJBGYCOXNV-JTQLQIEISA-N 0 0 435.286 4.006 50 0 IIAARN CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1 ZINC000037170598 569140500 /nfs/dbraw/zinc/14/05/00/569140500.db2.gz BMFDHFYXECIVSG-ROUUACIJSA-N 0 0 441.578 4.034 50 0 IIAARN O=C(Nc1cccc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)c1)c1ccco1 ZINC000170599109 569142451 /nfs/dbraw/zinc/14/24/51/569142451.db2.gz GCCOYLKUUANYKM-SFHVURJKSA-N 0 0 428.492 4.434 50 0 IIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc([S@@](=O)Cc2ccccc2)s1 ZINC000170609115 569144558 /nfs/dbraw/zinc/14/45/58/569144558.db2.gz CWOLCQOYMLFZQF-BAKZXQNTSA-N 0 0 430.382 4.376 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1noc(-c2ccccc2)n1 ZINC000170610416 569144880 /nfs/dbraw/zinc/14/48/80/569144880.db2.gz QSBQREHJWCRNAB-LLVKDONJSA-N 0 0 430.440 4.164 50 0 IIAARN O=C(NCc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccnc(OC2CCC2)c1 ZINC000170610176 569145128 /nfs/dbraw/zinc/14/51/28/569145128.db2.gz SMCANTNXDHAVAF-UHFFFAOYSA-N 0 0 427.464 4.055 50 0 IIAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037276412 569145233 /nfs/dbraw/zinc/14/52/33/569145233.db2.gz BSMWCPQCJPPSSX-UHFFFAOYSA-N 0 0 427.548 4.324 50 0 IIAARN COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cccc(OC)c4nc3Cl)C2)c1 ZINC000170612505 569146060 /nfs/dbraw/zinc/14/60/60/569146060.db2.gz HBFOMJSNUGDPHE-SFHVURJKSA-N 0 0 445.928 4.016 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000170614229 569146253 /nfs/dbraw/zinc/14/62/53/569146253.db2.gz NGCKYRBWCUPIDN-QFIPXVFZSA-N 0 0 440.496 4.383 50 0 IIAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)c1 ZINC000170615339 569146506 /nfs/dbraw/zinc/14/65/06/569146506.db2.gz NGFQNYDAHJIDHK-HSZRJFAPSA-N 0 0 440.496 4.383 50 0 IIAARN NC(=O)CNC(=O)c1ccc(NCc2ccccc2Oc2ccc(F)cc2Cl)cc1 ZINC000170616142 569146928 /nfs/dbraw/zinc/14/69/28/569146928.db2.gz FCUXBSUAOYLNJD-UHFFFAOYSA-N 0 0 427.863 4.099 50 0 IIAARN COC(=O)c1nc(NC(=O)c2cc(-c3cccs3)nn2C)sc1Cc1ccccc1 ZINC000170622215 569148024 /nfs/dbraw/zinc/14/80/24/569148024.db2.gz MFEILGHGXZUKJK-UHFFFAOYSA-N 0 0 438.534 4.235 50 0 IIAARN COc1cc(NC(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)cc(OC)c1 ZINC000009761554 569149006 /nfs/dbraw/zinc/14/90/06/569149006.db2.gz UYVIDEIFSFWTCZ-UHFFFAOYSA-N 0 0 447.516 4.134 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc2F)C[C@@H](C)O1 ZINC000071185697 569149444 /nfs/dbraw/zinc/14/94/44/569149444.db2.gz CSDSXJPELMVWBC-ZIAGYGMSSA-N 0 0 447.894 4.029 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000009882331 569149622 /nfs/dbraw/zinc/14/96/22/569149622.db2.gz JWCAZRXZNJQHFT-UHFFFAOYSA-N 0 0 444.940 4.104 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1F)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000009882863 569149911 /nfs/dbraw/zinc/14/99/11/569149911.db2.gz LQMSXIREEXKWBE-UHFFFAOYSA-N 0 0 429.498 4.004 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010024907 569151563 /nfs/dbraw/zinc/15/15/63/569151563.db2.gz IYWWTTNSVLLIHU-UHFFFAOYSA-N 0 0 439.943 4.404 50 0 IIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)o3)cc2C1 ZINC000010028532 569151799 /nfs/dbraw/zinc/15/17/99/569151799.db2.gz GBVIRHNSOWCZSQ-GFCCVEGCSA-N 0 0 443.550 4.425 50 0 IIAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(Cl)cc1 ZINC000010255054 569153976 /nfs/dbraw/zinc/15/39/76/569153976.db2.gz FZTZLHMYPNOAQI-UHFFFAOYSA-N 0 0 444.940 4.450 50 0 IIAARN O=c1nc(SCc2ccc(Br)cc2)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000010255581 569154081 /nfs/dbraw/zinc/15/40/81/569154081.db2.gz HAIQLIQFPXAWCH-INIZCTEOSA-N 0 0 435.387 4.356 50 0 IIAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000013324468 569155014 /nfs/dbraw/zinc/15/50/14/569155014.db2.gz HAERCAMUPDWSGF-UHFFFAOYSA-N 0 0 438.753 4.461 50 0 IIAARN O=C(COC(=O)[C@H]1CS[C@H](c2cccc3[nH]ccc32)N1)c1ccc(Br)cc1 ZINC000013573178 569155790 /nfs/dbraw/zinc/15/57/90/569155790.db2.gz GEYWNGOHJBGSOH-IEBWSBKVSA-N 0 0 445.338 4.060 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000013604233 569156275 /nfs/dbraw/zinc/15/62/75/569156275.db2.gz GAOHQVPDCQPJJP-UHFFFAOYSA-N 0 0 446.429 4.150 50 0 IIAARN COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000014423167 569159091 /nfs/dbraw/zinc/15/90/91/569159091.db2.gz QSRZSFYBLHITDR-SFHVURJKSA-N 0 0 442.581 4.160 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000014526347 569159287 /nfs/dbraw/zinc/15/92/87/569159287.db2.gz TXXKGVSAZHPYIE-OAHLLOKOSA-N 0 0 437.450 4.353 50 0 IIAARN Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000089651226 569160531 /nfs/dbraw/zinc/16/05/31/569160531.db2.gz HXKZYPJFWDCHKE-UHFFFAOYSA-N 0 0 435.977 4.264 50 0 IIAARN COc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662147 569160993 /nfs/dbraw/zinc/16/09/93/569160993.db2.gz IMVYGSMOAAUUMT-WOJBJXKFSA-N 0 0 442.560 4.499 50 0 IIAARN Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1 ZINC000089705785 569161724 /nfs/dbraw/zinc/16/17/24/569161724.db2.gz PRKIUNJZCFIICI-UHFFFAOYSA-N 0 0 433.580 4.007 50 0 IIAARN COc1cc(OC)c(Nc2c(C(=O)N3CCOCC3)cnc3ccccc32)cc1Cl ZINC000016840157 569163071 /nfs/dbraw/zinc/16/30/71/569163071.db2.gz PXULCKVMPBGLFF-UHFFFAOYSA-N 0 0 427.888 4.121 50 0 IIAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000016840349 569163141 /nfs/dbraw/zinc/16/31/41/569163141.db2.gz UUGQKFGWKWKMHF-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN O=c1c2sccc2nc(SCc2nc(-c3ccccn3)no2)n1Cc1ccccc1 ZINC000016843527 569163727 /nfs/dbraw/zinc/16/37/27/569163727.db2.gz FMCUCYBBTJRJHN-UHFFFAOYSA-N 0 0 433.518 4.244 50 0 IIAARN Cc1cc(C)cc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000016847631 569164039 /nfs/dbraw/zinc/16/40/39/569164039.db2.gz UVVKNJDXGWHOST-UHFFFAOYSA-N 0 0 440.931 4.075 50 0 IIAARN COc1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)cc1OC ZINC000016849245 569164573 /nfs/dbraw/zinc/16/45/73/569164573.db2.gz RNFXSVIZFHVYEJ-UHFFFAOYSA-N 0 0 432.546 4.186 50 0 IIAARN O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)[C@@H]1CC(=O)Nc2ccccc21 ZINC000089857723 569165862 /nfs/dbraw/zinc/16/58/62/569165862.db2.gz RFCHJQFQLPALKQ-GOSISDBHSA-N 0 0 430.895 4.421 50 0 IIAARN COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016945226 569166920 /nfs/dbraw/zinc/16/69/20/569166920.db2.gz LYXMAZDZRMDYGD-LJQANCHMSA-N 0 0 435.954 4.355 50 0 IIAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904485 569167060 /nfs/dbraw/zinc/16/70/60/569167060.db2.gz MBQPGPZUXLWCPU-BBATYDOGSA-N 0 0 430.291 4.342 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(SC)cc4)no3)CC2)cc1 ZINC000016954390 569167319 /nfs/dbraw/zinc/16/73/19/569167319.db2.gz MVYWDHWKVYVGNE-UHFFFAOYSA-N 0 0 445.566 4.035 50 0 IIAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)cc3Br)C2)cc1 ZINC000089930397 569167874 /nfs/dbraw/zinc/16/78/74/569167874.db2.gz KZMNTOJGANVIAR-GOSISDBHSA-N 0 0 433.302 4.173 50 0 IIAARN CCCCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1[C@@H](CC)N(C)C ZINC000089955423 569168773 /nfs/dbraw/zinc/16/87/73/569168773.db2.gz JEDOJNOFJBIGQM-QGZVFWFLSA-N 0 0 430.578 4.442 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1C ZINC000017011223 569170318 /nfs/dbraw/zinc/17/03/18/569170318.db2.gz XYWXRCVPFRSASW-UHFFFAOYSA-N 0 0 434.883 4.312 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CS(=O)(=O)C3)c(C)c1 ZINC000017026046 569171120 /nfs/dbraw/zinc/17/11/20/569171120.db2.gz XFLSFOOFBYQYSN-UHFFFAOYSA-N 0 0 439.581 4.072 50 0 IIAARN COc1ccc(CCNc2nc3nn(C)c(N)c3c(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000037358211 569176009 /nfs/dbraw/zinc/17/60/09/569176009.db2.gz CZYWJQCPONHSHO-UHFFFAOYSA-N 0 0 442.445 4.295 50 0 IIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000001061317 569176520 /nfs/dbraw/zinc/17/65/20/569176520.db2.gz LEOQSWUWWILKFL-CYBMUJFWSA-N 0 0 446.878 4.398 50 0 IIAARN Nc1c2c(nn1-c1ccccc1Cl)nc(N1CCOCC1)nc2-c1cccc(Cl)c1 ZINC000037359599 569177685 /nfs/dbraw/zinc/17/76/85/569177685.db2.gz IKTFVRIXZSCQSR-UHFFFAOYSA-N 0 0 441.322 4.208 50 0 IIAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc1 ZINC000002092522 569178781 /nfs/dbraw/zinc/17/87/81/569178781.db2.gz CKNSWDIHDRNAMV-ZEQKJWHPSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002096224 569179297 /nfs/dbraw/zinc/17/92/97/569179297.db2.gz LAGBVNHLYDGDLZ-JYFHCDHNSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN CSCC[C@@H](NC(C)=O)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000002105636 569181071 /nfs/dbraw/zinc/18/10/71/569181071.db2.gz PFRIAHQCILBXPN-LJQANCHMSA-N 0 0 441.505 4.057 50 0 biogenic IIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)c1 ZINC000002106282 569181147 /nfs/dbraw/zinc/18/11/47/569181147.db2.gz XTLADFSUJOHWKD-IGKIAQTJSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)s1)NCCNC(=O)c1ccco1 ZINC000027143645 569181152 /nfs/dbraw/zinc/18/11/52/569181152.db2.gz JUWXAMSHWQVAQZ-CSKARUKUSA-N 0 0 445.338 4.330 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1ccccn1)nc2-c1ccccc1F ZINC000037360194 569181446 /nfs/dbraw/zinc/18/14/46/569181446.db2.gz CYFIPIGNNOWOEP-UHFFFAOYSA-N 0 0 443.461 4.393 50 0 IIAARN CS(=O)(=O)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cn1 ZINC000170641890 569181447 /nfs/dbraw/zinc/18/14/47/569181447.db2.gz GXITYCIQKVLKPL-UHFFFAOYSA-N 0 0 425.535 4.117 50 0 IIAARN Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037360674 569181483 /nfs/dbraw/zinc/18/14/83/569181483.db2.gz AJMJRFBVKGYQFP-UHFFFAOYSA-N 0 0 430.512 4.480 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCSCC1)nc2-c1cccc(F)c1F ZINC000037361466 569181568 /nfs/dbraw/zinc/18/15/68/569181568.db2.gz LOARNXCIRGJZKA-UHFFFAOYSA-N 0 0 442.470 4.035 50 0 IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@@H]1CCCO1)nc2-c1cccc(Cl)c1 ZINC000037361018 569181577 /nfs/dbraw/zinc/18/15/77/569181577.db2.gz QPSQYCQVAPDTPQ-SFHVURJKSA-N 0 0 434.931 4.368 50 0 IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1ccccn1)nc2-c1cccc(F)c1 ZINC000037361149 569181590 /nfs/dbraw/zinc/18/15/90/569181590.db2.gz DZCYPIJVNDKQLY-UHFFFAOYSA-N 0 0 429.434 4.350 50 0 IIAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N12 ZINC000002113581 569182216 /nfs/dbraw/zinc/18/22/16/569182216.db2.gz XKMOKWSXUZCVSO-URXFXBBRSA-N 0 0 433.939 4.449 50 0 biogenic IIAARN COc1ccc(-c2csc(C3=C(N)N(C[C@@H]4COc5ccccc5O4)CC3=O)n2)cc1 ZINC000252484521 569186425 /nfs/dbraw/zinc/18/64/25/569186425.db2.gz FYPIRGSLMIIBQB-MRXNPFEDSA-N 0 0 435.505 4.221 50 0 IIAARN COc1ccc2[nH]cc(CCNc3ncncc3-c3nc(-c4ccccc4F)no3)c2c1 ZINC000252484297 569186469 /nfs/dbraw/zinc/18/64/69/569186469.db2.gz FTXKPBWZSKNEED-UHFFFAOYSA-N 0 0 430.443 4.477 50 0 IIAARN CC(C)CCN1CC(=O)N2[C@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002148320 569187114 /nfs/dbraw/zinc/18/71/14/569187114.db2.gz QACBVJDXXNQGGU-RPWUZVMVSA-N 0 0 429.564 4.483 50 0 biogenic IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002151945 569187318 /nfs/dbraw/zinc/18/73/18/569187318.db2.gz WSIBBZVFSWMYKD-KRWDZBQOSA-N 0 0 447.553 4.142 50 0 biogenic IIAARN CS(=O)(=O)Nc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)c1cccs1 ZINC000252503768 569188103 /nfs/dbraw/zinc/18/81/03/569188103.db2.gz VGUJWSOVQSNIFR-IBGZPJMESA-N 0 0 443.525 4.250 50 0 IIAARN CC(C)C(=O)Nc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000027266798 569188215 /nfs/dbraw/zinc/18/82/15/569188215.db2.gz CCDWSNQHACTZKN-OAQYLSRUSA-N 0 0 439.556 4.033 50 0 IIAARN CCC[C@@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)CC)CC2)n1 ZINC000037378690 569188827 /nfs/dbraw/zinc/18/88/27/569188827.db2.gz SKQMWIUMYSCTED-MRXNPFEDSA-N 0 0 438.551 4.225 50 0 IIAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252512399 569188908 /nfs/dbraw/zinc/18/89/08/569188908.db2.gz QEJZIMLDMUTPKZ-NXHRZFHOSA-N 0 0 439.903 4.061 50 0 IIAARN COc1ccc(-n2c(C)nnc2SCc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000037398477 569193909 /nfs/dbraw/zinc/19/39/09/569193909.db2.gz VVVAASGNUHLFOI-UHFFFAOYSA-N 0 0 434.521 4.400 50 0 IIAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000037398942 569194173 /nfs/dbraw/zinc/19/41/73/569194173.db2.gz KJTADTNSKUUJPX-UHFFFAOYSA-N 0 0 432.543 4.403 50 0 IIAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(F)cc1 ZINC000037399174 569194281 /nfs/dbraw/zinc/19/42/81/569194281.db2.gz ZILHWMPIXUDJND-UHFFFAOYSA-N 0 0 444.554 4.495 50 0 IIAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000037399154 569194297 /nfs/dbraw/zinc/19/42/97/569194297.db2.gz MQGSXBPRWJGGKC-UHFFFAOYSA-N 0 0 432.543 4.495 50 0 IIAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)C1CCC1 ZINC000037400959 569195008 /nfs/dbraw/zinc/19/50/08/569195008.db2.gz ZWPIUTJBSIFZDY-KRWDZBQOSA-N 0 0 431.554 4.390 50 0 IIAARN O=C(c1cc2sc(Br)cc2n1Cc1ccc(F)c(F)c1)N1CCOCC1 ZINC000037543031 569199404 /nfs/dbraw/zinc/19/94/04/569199404.db2.gz VUQHFQQNEHCQCI-UHFFFAOYSA-N 0 0 441.297 4.264 50 0 IIAARN CO[C@@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000170682960 569195504 /nfs/dbraw/zinc/19/55/04/569195504.db2.gz BUYUAIDNIVJKQS-VQIMIIECSA-N 0 0 431.323 4.310 50 0 IIAARN CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2F)n1 ZINC000037426502 569195641 /nfs/dbraw/zinc/19/56/41/569195641.db2.gz BIWCFCOHVFSAIM-LJQANCHMSA-N 0 0 440.544 4.139 50 0 IIAARN O=C(c1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H]1C(=O)N1CCCC1 ZINC000037426085 569195779 /nfs/dbraw/zinc/19/57/79/569195779.db2.gz ANCVBDOCIHHTIM-MRXNPFEDSA-N 0 0 438.475 4.133 50 0 IIAARN CCNC(=O)c1ccccc1Cn1c(C)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000037428028 569195841 /nfs/dbraw/zinc/19/58/41/569195841.db2.gz ZTAYIRHFBLHCKZ-LVWGJNHUSA-N 0 0 427.957 4.359 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000037443348 569197153 /nfs/dbraw/zinc/19/71/53/569197153.db2.gz OVQGLPALXNGWRN-JIZVJVNCSA-N 0 0 437.515 4.483 50 0 IIAARN O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037524505 569198718 /nfs/dbraw/zinc/19/87/18/569198718.db2.gz BKECLAPASAADKB-UHFFFAOYSA-N 0 0 437.927 4.262 50 0 IIAARN O=C(NCCc1cccs1)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000037525078 569198963 /nfs/dbraw/zinc/19/89/63/569198963.db2.gz YRFUDASNHZUQKZ-UHFFFAOYSA-N 0 0 433.577 4.119 50 0 IIAARN CN(Cc1ccco1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000037525177 569199009 /nfs/dbraw/zinc/19/90/09/569199009.db2.gz SUXRBTYMBUHOHP-UHFFFAOYSA-N 0 0 435.499 4.090 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(OC)c2)C1 ZINC000037526175 569199112 /nfs/dbraw/zinc/19/91/12/569199112.db2.gz AONWMQRKEVWDAV-GOSISDBHSA-N 0 0 440.565 4.483 50 0 IIAARN Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1C1CCCCC1 ZINC000007775408 569202166 /nfs/dbraw/zinc/20/21/66/569202166.db2.gz HFIVHYBACKWCIA-CQSZACIVSA-N 0 0 427.574 4.336 50 0 IIAARN COCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)NCc2cccc(C)c2)c1 ZINC000037601153 569202373 /nfs/dbraw/zinc/20/23/73/569202373.db2.gz WXGJQSKFQXDMPV-UHFFFAOYSA-N 0 0 430.548 4.342 50 0 IIAARN C[C@@H](C(=O)Nc1cccc(NC(=O)CCc2ccccc2Br)c1)n1cccn1 ZINC000078959410 569204374 /nfs/dbraw/zinc/20/43/74/569204374.db2.gz PPUKTPPIMASGIW-HNNXBMFYSA-N 0 0 441.329 4.417 50 0 IIAARN COc1ccc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@@H]32)cc1OC ZINC000066091481 569205751 /nfs/dbraw/zinc/20/57/51/569205751.db2.gz AIIREGOPUPQXRK-NHCUHLMSSA-N 0 0 445.523 4.429 50 0 IIAARN COc1cc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)cc(OC)c1OC ZINC000002230215 569208331 /nfs/dbraw/zinc/20/83/31/569208331.db2.gz MWCFYQPCCSXBIL-UHFFFAOYSA-N 0 0 425.485 4.341 50 0 IIAARN Cc1cc(=O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3cccs3)C2)c([O-])o1 ZINC000198413204 569209350 /nfs/dbraw/zinc/20/93/50/569209350.db2.gz OTNFOGWNFFCZEI-KRWDZBQOSA-N 0 0 446.488 4.278 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000199034789 569209567 /nfs/dbraw/zinc/20/95/67/569209567.db2.gz DOEDEFKGCVGNNU-QORCZRPOSA-N 0 0 434.495 4.268 50 0 IIAARN O=c1c(=Cc2ccc(O)cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000252676048 569210422 /nfs/dbraw/zinc/21/04/22/569210422.db2.gz VVCACAJMACBKAV-RUZDIDTESA-N 0 0 436.536 4.024 50 0 IIAARN COc1ccc(OC)c(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002250839 569213839 /nfs/dbraw/zinc/21/38/39/569213839.db2.gz VFSIVALWMUHGJH-UHFFFAOYSA-N 0 0 434.496 4.376 50 0 IIAARN CCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 ZINC000027496092 569215681 /nfs/dbraw/zinc/21/56/81/569215681.db2.gz HJPOBEYTKZUOEG-UHFFFAOYSA-N 0 0 433.530 4.126 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(OC)c3)N2C1=O ZINC000002255835 569216834 /nfs/dbraw/zinc/21/68/34/569216834.db2.gz AZWBDFASPOKRCN-PZJWPPBQSA-N 0 0 436.533 4.477 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)N1CCCCC1)-c1ccccc1CC21CCCC1 ZINC000002256561 569216998 /nfs/dbraw/zinc/21/69/98/569216998.db2.gz CDHMTHYKHGJQKN-UHFFFAOYSA-N 0 0 437.609 4.403 50 0 IIAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(OC)c2)cc1 ZINC000027527455 569263207 /nfs/dbraw/zinc/26/32/07/569263207.db2.gz SGCXSBJOMYRDQM-UHFFFAOYSA-N 0 0 442.519 4.302 50 0 IIAARN CCOC(=O)COc1cccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)c2ccco2)c1 ZINC000253392504 569264239 /nfs/dbraw/zinc/26/42/39/569264239.db2.gz DMKHQLKUTSZFJP-JOCHJYFZSA-N 0 0 448.475 4.222 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000253395412 569264598 /nfs/dbraw/zinc/26/45/98/569264598.db2.gz YGEBXSCWBYHBNN-GOTSBHOMSA-N 0 0 434.536 4.020 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000027531894 569266210 /nfs/dbraw/zinc/26/62/10/569266210.db2.gz TZAOWZJTEFLMFP-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN Cc1nc(SC(F)(F)F)sc1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000253422931 569266915 /nfs/dbraw/zinc/26/69/15/569266915.db2.gz KZLJOSBURKFXKN-UHFFFAOYSA-N 0 0 426.489 4.450 50 0 IIAARN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2Nc2ccccc2)cc1 ZINC000002292725 569268289 /nfs/dbraw/zinc/26/82/89/569268289.db2.gz TZTULVYGMAVCTH-RCCKNPSSSA-N 0 0 429.476 4.369 50 0 IIAARN CC(C)Oc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C(N)=O ZINC000253431258 569268496 /nfs/dbraw/zinc/26/84/96/569268496.db2.gz QWFVOOSPKLKOLK-UHFFFAOYSA-N 0 0 435.455 4.216 50 0 IIAARN Cc1c(C(=O)N[C@@H](c2ccc(Br)cc2)[C@@H](C)CO)cnn1-c1ccccc1 ZINC000253433226 569269329 /nfs/dbraw/zinc/26/93/29/569269329.db2.gz UGZILRZQMSHNLC-VBKZILBWSA-N 0 0 428.330 4.043 50 0 IIAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@@H]1CCCO1 ZINC000002343794 569275367 /nfs/dbraw/zinc/27/53/67/569275367.db2.gz QFDMJMQYZOLPAR-KXBFYZLASA-N 0 0 440.293 4.280 50 0 IIAARN COc1ccccc1CC(=O)N1CCC(c2noc(-c3cc(-c4cccs4)[nH]n3)n2)CC1 ZINC000253472846 569282812 /nfs/dbraw/zinc/28/28/12/569282812.db2.gz QCNOZTRNOKPESM-UHFFFAOYSA-N 0 0 449.536 4.146 50 0 IIAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253473823 569282909 /nfs/dbraw/zinc/28/29/09/569282909.db2.gz YVUCFTAWHRKVGS-UHFFFAOYSA-N 0 0 430.810 4.121 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000002359309 569286083 /nfs/dbraw/zinc/28/60/83/569286083.db2.gz JBKSLKSRBXHNQV-UHFFFAOYSA-N 0 0 440.916 4.069 50 0 IIAARN CCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Cl)cc3Cl)nn2c1=O ZINC000002364936 569288185 /nfs/dbraw/zinc/28/81/85/569288185.db2.gz HKIKGSXSSDRTRY-YVLHZVERSA-N 0 0 432.332 4.461 50 0 IIAARN COc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)s2)c1 ZINC000027725879 569294101 /nfs/dbraw/zinc/29/41/01/569294101.db2.gz LIIIVJCFNMCZQW-INIZCTEOSA-N 0 0 428.539 4.022 50 0 IIAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002394220 569298108 /nfs/dbraw/zinc/29/81/08/569298108.db2.gz UAPIBKCVZHHLAR-IBGZPJMESA-N 0 0 435.476 4.201 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000002399606 569298967 /nfs/dbraw/zinc/29/89/67/569298967.db2.gz VOGGAWUEKJREOK-UZLBHIALSA-N 0 0 425.868 4.179 50 0 IIAARN Nc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n21)CCCC3 ZINC000002420754 569301953 /nfs/dbraw/zinc/30/19/53/569301953.db2.gz RWQLYQBZMDWJOF-UHFFFAOYSA-N 0 0 429.958 4.428 50 0 IIAARN CC[C@H](C)C(=O)Nc1c2cc(NC3CCCC3)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014535235 569304776 /nfs/dbraw/zinc/30/47/76/569304776.db2.gz MDASRBORJGRCOG-YJBOKZPZSA-N 0 0 442.560 4.341 50 0 IIAARN COc1ccc(-c2cc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)ccc2OC)cc1 ZINC000012998553 569306182 /nfs/dbraw/zinc/30/61/82/569306182.db2.gz UIDVNPAKYHEWEE-SFHVURJKSA-N 0 0 434.492 4.455 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000013001279 569306222 /nfs/dbraw/zinc/30/62/22/569306222.db2.gz JIWQAKCITKAQAS-JLCFBVMHSA-N 0 0 448.350 4.255 50 0 IIAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000013008568 569306567 /nfs/dbraw/zinc/30/65/67/569306567.db2.gz SFUQVHVSNXXOOQ-UHFFFAOYSA-N 0 0 449.504 4.071 50 0 IIAARN Cc1nn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)nn2)c(C)c1C ZINC000013010072 569306778 /nfs/dbraw/zinc/30/67/78/569306778.db2.gz YZMACHDKKZBESI-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000013038613 569307728 /nfs/dbraw/zinc/30/77/28/569307728.db2.gz XKQJWYLEMPVWIM-UHFFFAOYSA-N 0 0 427.854 4.485 50 0 IIAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1ccc(F)c(F)c1 ZINC000013062319 569308676 /nfs/dbraw/zinc/30/86/76/569308676.db2.gz UKXXAVFLPCWWFZ-AGUYFDCRSA-N 0 0 427.538 4.449 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)cc1 ZINC000013075167 569309204 /nfs/dbraw/zinc/30/92/04/569309204.db2.gz HJNOTSRUVPQKTR-ALOPSCKCSA-N 0 0 448.610 4.129 50 0 IIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000013114365 569310605 /nfs/dbraw/zinc/31/06/05/569310605.db2.gz DWNSXZLMKDFVAI-QGZVFWFLSA-N 0 0 429.476 4.082 50 0 IIAARN COC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000013117751 569311041 /nfs/dbraw/zinc/31/10/41/569311041.db2.gz CFIMWOGILZGPME-ZDUSSCGKSA-N 0 0 432.343 4.410 50 0 IIAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NC(=O)NC1CCCCC1 ZINC000013141169 569311756 /nfs/dbraw/zinc/31/17/56/569311756.db2.gz YSUXUIZXYLFYKQ-HNNXBMFYSA-N 0 0 435.480 4.199 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2)c1 ZINC000013141998 569311817 /nfs/dbraw/zinc/31/18/17/569311817.db2.gz IABCHZHMCZJRPT-GOSISDBHSA-N 0 0 437.517 4.062 50 0 IIAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000013163957 569312417 /nfs/dbraw/zinc/31/24/17/569312417.db2.gz SWNFQRLFCWJDAU-KRWDZBQOSA-N 0 0 438.119 4.179 50 0 IIAARN CCOC(=O)CNC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000013348505 569313157 /nfs/dbraw/zinc/31/31/57/569313157.db2.gz OJIIVXUTNDUEGT-UHFFFAOYSA-N 0 0 442.519 4.495 50 0 IIAARN O=C(NCCc1ccccc1)C1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000013351040 569313243 /nfs/dbraw/zinc/31/32/43/569313243.db2.gz HGFNHJPMTYHAFG-UHFFFAOYSA-N 0 0 434.561 4.268 50 0 IIAARN CC(C)CNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013352237 569313339 /nfs/dbraw/zinc/31/33/39/569313339.db2.gz BCFRRCYFVHYCBU-UHFFFAOYSA-N 0 0 441.959 4.217 50 0 IIAARN Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000013354884 569313459 /nfs/dbraw/zinc/31/34/59/569313459.db2.gz NIIBSPYBKKFZFO-MRXNPFEDSA-N 0 0 429.592 4.012 50 0 IIAARN Cc1cccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000013355253 569313559 /nfs/dbraw/zinc/31/35/59/569313559.db2.gz XQUGRUXXVSICCS-UHFFFAOYSA-N 0 0 434.561 4.377 50 0 IIAARN C[C@@H](C(=O)N1CCC2(CC1)OCCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369346 569314852 /nfs/dbraw/zinc/31/48/52/569314852.db2.gz MBAPSGAFKJRGKX-INIZCTEOSA-N 0 0 425.916 4.283 50 0 IIAARN CSc1ccc(C(=O)Nc2nccc3c2CN(C(=O)c2ccc(SC)o2)CC3)o1 ZINC000328596140 569317838 /nfs/dbraw/zinc/31/78/38/569317838.db2.gz UYKOXSKDIWDYTG-UHFFFAOYSA-N 0 0 429.523 4.162 50 0 IIAARN O=C(c1ccc(F)cc1Br)N1CCNC(=O)c2ccc(Br)cc21 ZINC000328597236 569317971 /nfs/dbraw/zinc/31/79/71/569317971.db2.gz GCXKQZJHMYXJMO-UHFFFAOYSA-N 0 0 442.082 4.316 50 0 IIAARN CCN(CC)Cc1nc(C2(NC(=O)Cc3nc(-c4ccccc4)oc3C)CCCC2)no1 ZINC000078714231 569318499 /nfs/dbraw/zinc/31/84/99/569318499.db2.gz RXXYBFZJVQHPCB-UHFFFAOYSA-N 0 0 437.544 4.003 50 0 IIAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1Cl ZINC000078803226 569318975 /nfs/dbraw/zinc/31/89/75/569318975.db2.gz BGTBTQQESNPMCB-UHFFFAOYSA-N 0 0 449.787 4.306 50 0 IIAARN COc1cc2[nH]c(CCCNC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc2c(OC)c1 ZINC000079057563 569323752 /nfs/dbraw/zinc/32/37/52/569323752.db2.gz WQRAESVXZXVCFU-HXUWFJFHSA-N 0 0 438.524 4.106 50 0 IIAARN COC(=O)Nc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000079096877 569325370 /nfs/dbraw/zinc/32/53/70/569325370.db2.gz VUBHJCRGWBVACR-OALUTQOASA-N 0 0 433.549 4.345 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC000079102624 569325493 /nfs/dbraw/zinc/32/54/93/569325493.db2.gz RZRPPIPUVMDAEW-AZUAARDMSA-N 0 0 426.561 4.255 50 0 IIAARN Cc1c(OCC(=O)NCCc2ccccn2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000079192451 569328064 /nfs/dbraw/zinc/32/80/64/569328064.db2.gz DWIREPBKRMZAFX-UHFFFAOYSA-N 0 0 442.515 4.133 50 0 biogenic IIAARN CN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccc(Br)c4)n3)cc21 ZINC000019796423 569329558 /nfs/dbraw/zinc/32/95/58/569329558.db2.gz QXRGVUHVRHYSOH-UHFFFAOYSA-N 0 0 444.310 4.180 50 0 IIAARN COc1ccc(Cc2nc(NC(=O)[C@H](C)c3ccc(C[C@@H]4CCCC4=O)cc3)n[nH]2)cc1 ZINC000079487945 569331103 /nfs/dbraw/zinc/33/11/03/569331103.db2.gz KSCVBQPYVVREBW-UZLBHIALSA-N 0 0 432.524 4.058 50 0 IIAARN COc1ccc(C2(CNC(=O)Cc3csc(-c4cccs4)n3)CCOCC2)cc1 ZINC000079487735 569331121 /nfs/dbraw/zinc/33/11/21/569331121.db2.gz IMUQWIZSSMZBQE-UHFFFAOYSA-N 0 0 428.579 4.287 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000002463525 569331799 /nfs/dbraw/zinc/33/17/99/569331799.db2.gz ULMABHGVXWZYMF-IEBWSBKVSA-N 0 0 430.570 4.212 50 0 IIAARN O=C(Nc1ccccc1F)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12 ZINC000020103941 569334090 /nfs/dbraw/zinc/33/40/90/569334090.db2.gz JVNDSTCHIRVMNW-UHFFFAOYSA-N 0 0 427.483 4.348 50 0 IIAARN COc1ccc(Cl)cc1NC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020107770 569334369 /nfs/dbraw/zinc/33/43/69/569334369.db2.gz CEHISMCTGPIMEU-UHFFFAOYSA-N 0 0 440.034 4.331 50 0 IIAARN Cc1nc(-c2ccccc2)cc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)n1 ZINC000094986154 569355637 /nfs/dbraw/zinc/35/56/37/569355637.db2.gz ZHPHGIZBTADFPT-UHFFFAOYSA-N 0 0 436.943 4.294 50 0 IIAARN O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020285789 569359041 /nfs/dbraw/zinc/35/90/41/569359041.db2.gz KBEZVAAJOAYTOB-UHFFFAOYSA-N 0 0 426.442 4.157 50 0 IIAARN CCN(C(=O)CSc1nnc(-c2cccs2)n1C)c1ccc(Br)cc1 ZINC000095350016 569361767 /nfs/dbraw/zinc/36/17/67/569361767.db2.gz UHIZXXKJZMXBGL-UHFFFAOYSA-N 0 0 437.388 4.451 50 0 IIAARN CCN(CC)c1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cn1 ZINC000095377504 569363119 /nfs/dbraw/zinc/36/31/19/569363119.db2.gz KRBPVHIZNGOFNR-UHFFFAOYSA-N 0 0 432.362 4.126 50 0 IIAARN CCc1ccc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)cc1 ZINC000020388528 569363331 /nfs/dbraw/zinc/36/33/31/569363331.db2.gz RTFRETIIKNERKI-UHFFFAOYSA-N 0 0 427.570 4.264 50 0 IIAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCCc1ccc(F)cc1 ZINC000020397481 569363396 /nfs/dbraw/zinc/36/33/96/569363396.db2.gz WFHPQSASHKLJGD-IBGZPJMESA-N 0 0 425.529 4.238 50 0 IIAARN Cc1nc([C@H]2CN([C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CCO2)no1 ZINC000095393692 569363535 /nfs/dbraw/zinc/36/35/35/569363535.db2.gz GFKZSJRLFVFAOW-MOPGFXCFSA-N 0 0 447.322 4.438 50 0 IIAARN O=C(OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCCN1Cc1ccccc1 ZINC000095395331 569363541 /nfs/dbraw/zinc/36/35/41/569363541.db2.gz NDJDNUKGCUCFSY-SFHVURJKSA-N 0 0 431.414 4.463 50 0 IIAARN CC[C@@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416816 569364570 /nfs/dbraw/zinc/36/45/70/569364570.db2.gz BVJJNFMNCIKFQO-CLLIPEKESA-N 0 0 436.556 4.223 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000020416957 569364824 /nfs/dbraw/zinc/36/48/24/569364824.db2.gz SDHPNPCRTPBEEN-FQEVSTJZSA-N 0 0 444.491 4.123 50 0 IIAARN CCc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)cc1 ZINC000020417283 569364925 /nfs/dbraw/zinc/36/49/25/569364925.db2.gz ZYUNMVMNZFLMHK-UHFFFAOYSA-N 0 0 432.499 4.203 50 0 IIAARN CCc1ccc([C@@H](NC(=O)COC(=O)c2cnc(Cl)c(N)c2)c2cccs2)cc1 ZINC000095452620 569368105 /nfs/dbraw/zinc/36/81/05/569368105.db2.gz XVSBHXLVVLKGSM-LJQANCHMSA-N 0 0 429.929 4.004 50 0 IIAARN CCn1ccnc1[C@H](NCc1cccc(OC)c1)c1ccc(I)cc1 ZINC000095452948 569368135 /nfs/dbraw/zinc/36/81/35/569368135.db2.gz LWPAEYCZBJRGED-LJQANCHMSA-N 0 0 447.320 4.395 50 0 IIAARN C[C@H]1C[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CCO1 ZINC000095458066 569369085 /nfs/dbraw/zinc/36/90/85/569369085.db2.gz PMNKIGXCZSYXRW-ROUUACIJSA-N 0 0 430.508 4.285 50 0 IIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC1([C@H](C)CCO)CCC1 ZINC000095463258 569370325 /nfs/dbraw/zinc/37/03/25/569370325.db2.gz RLNNPKBRFOJMEK-LJQANCHMSA-N 0 0 433.552 4.467 50 0 IIAARN C[C@@H](NC(=O)Nc1ccncc1I)c1cccc(OC(F)F)c1 ZINC000095466957 569371084 /nfs/dbraw/zinc/37/10/84/569371084.db2.gz UWNNDNQSWCDYOD-SECBINFHSA-N 0 0 433.196 4.170 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc1OC ZINC000095476502 569372998 /nfs/dbraw/zinc/37/29/98/569372998.db2.gz OTUJSEQFTNSWAD-YRNVUSSQSA-N 0 0 431.448 4.133 50 0 IIAARN COC(=O)c1c(NC(=O)Cn2c3ccccc3oc2=O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000095482166 569374309 /nfs/dbraw/zinc/37/43/09/569374309.db2.gz CXVNDTDAQNRURT-ZDUSSCGKSA-N 0 0 442.537 4.232 50 0 IIAARN Cc1sc2nc(C(F)(F)F)nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)c2c1C ZINC000095949000 569376551 /nfs/dbraw/zinc/37/65/51/569376551.db2.gz PDAFZIJLSCLPSS-UHFFFAOYSA-N 0 0 430.477 4.321 50 0 IIAARN O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(-n3cccc3)cc1)CC2)c1ccsc1 ZINC000096096385 569381212 /nfs/dbraw/zinc/38/12/12/569381212.db2.gz HFDHIYVIHXMBMP-UHFFFAOYSA-N 0 0 434.546 4.446 50 0 IIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102940 569381957 /nfs/dbraw/zinc/38/19/57/569381957.db2.gz GMYCWSZAQYJIQA-UHFFFAOYSA-N 0 0 445.292 4.057 50 0 IIAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cccc(Oc4ccccn4)c3)n(C)n2)c1 ZINC000096104538 569382200 /nfs/dbraw/zinc/38/22/00/569382200.db2.gz QDAWMRHYPZBMHG-UHFFFAOYSA-N 0 0 444.491 4.222 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1cccc(F)c1)C(=O)OC2 ZINC000096113787 569382544 /nfs/dbraw/zinc/38/25/44/569382544.db2.gz INHGFGJGKDXJID-VGOFMYFVSA-N 0 0 427.472 4.104 50 0 biogenic IIAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 ZINC000096115415 569383341 /nfs/dbraw/zinc/38/33/41/569383341.db2.gz WTVXFUSPTNZDQU-QPPBQGQZSA-N 0 0 441.439 4.096 50 0 biogenic IIAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NC1CCCCC1 ZINC000096116314 569383631 /nfs/dbraw/zinc/38/36/31/569383631.db2.gz VZYGSSHPCYLJPP-UHFFFAOYSA-N 0 0 426.520 4.023 50 0 biogenic IIAARN CC(C)CNC(=O)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096118208 569384489 /nfs/dbraw/zinc/38/44/89/569384489.db2.gz NQETZSZZQPLHOZ-MRXNPFEDSA-N 0 0 443.396 4.218 50 0 IIAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1 ZINC000096119652 569384780 /nfs/dbraw/zinc/38/47/80/569384780.db2.gz XONDEGSZWBQRGU-NTCAYCPXSA-N 0 0 432.505 4.443 50 0 IIAARN O=C(c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)s1)c1ccccc1 ZINC000096119929 569384808 /nfs/dbraw/zinc/38/48/08/569384808.db2.gz JIRRBHIWECTOFL-UHFFFAOYSA-N 0 0 441.452 4.356 50 0 IIAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000096120438 569384913 /nfs/dbraw/zinc/38/49/13/569384913.db2.gz AFQCMJTVQYYNOD-UHFFFAOYSA-N 0 0 433.911 4.091 50 0 IIAARN CC(C)n1c(C[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)nc2cccnc21 ZINC000096124989 569385618 /nfs/dbraw/zinc/38/56/18/569385618.db2.gz URQBSFXBWKJKDY-AWEZNQCLSA-N 0 0 436.940 4.058 50 0 IIAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc2ccccc2n1C(C)C ZINC000096221213 569386911 /nfs/dbraw/zinc/38/69/11/569386911.db2.gz ZWANYSPCZKBIKI-UHFFFAOYSA-N 0 0 433.508 4.290 50 0 biogenic IIAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccccc2F)cc1 ZINC000096286834 569390159 /nfs/dbraw/zinc/39/01/59/569390159.db2.gz VHTNWJVYPDZAID-UHFFFAOYSA-N 0 0 430.483 4.433 50 0 IIAARN CCCCN1c2ccc(NC(=O)c3cccc(F)c3)cc2S(=O)(=O)N=C1c1ccco1 ZINC000096289284 569390666 /nfs/dbraw/zinc/39/06/66/569390666.db2.gz FOZNIKLJPWPIKM-UHFFFAOYSA-N 0 0 441.484 4.427 50 0 IIAARN CCN(CC)Cc1nc(C2(NC(=O)/C=C\c3cccc(Br)c3)CCCC2)no1 ZINC000096310880 569392564 /nfs/dbraw/zinc/39/25/64/569392564.db2.gz OKFUXYGEUJVNAN-KHPPLWFESA-N 0 0 447.377 4.273 50 0 IIAARN CCC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cccc(Cl)c2)CC1 ZINC000096317425 569393288 /nfs/dbraw/zinc/39/32/88/569393288.db2.gz WHSVLNNSJADOHB-UHFFFAOYSA-N 0 0 430.980 4.049 50 0 IIAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)N(C)Cc5ccccc5)n4ccn3n2)c1 ZINC000096322412 569394564 /nfs/dbraw/zinc/39/45/64/569394564.db2.gz HCSWMGCUEQEWLG-UHFFFAOYSA-N 0 0 438.535 4.252 50 0 IIAARN CN(C)c1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000096322932 569394980 /nfs/dbraw/zinc/39/49/80/569394980.db2.gz BUNCHHMSILWHOY-UHFFFAOYSA-N 0 0 440.550 4.356 50 0 IIAARN Cc1noc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)c1C ZINC000096323534 569395400 /nfs/dbraw/zinc/39/54/00/569395400.db2.gz QJKUESCONLXVKK-UHFFFAOYSA-N 0 0 445.610 4.456 50 0 IIAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc3c(c2)OCO3)C4)cc1 ZINC000096323872 569395580 /nfs/dbraw/zinc/39/55/80/569395580.db2.gz LALBRZNGJLSINU-UHFFFAOYSA-N 0 0 433.493 4.085 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(-c5cc[nH]n5)c4)no3)CC2)cc1 ZINC000096341428 569396804 /nfs/dbraw/zinc/39/68/04/569396804.db2.gz MIISLRHLLHQKGL-UHFFFAOYSA-N 0 0 449.536 4.003 50 0 IIAARN CC(C)CS(=O)(=O)C1CCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 ZINC000096374435 569398099 /nfs/dbraw/zinc/39/80/99/569398099.db2.gz MAQIXNVJFLAVOJ-UHFFFAOYSA-N 0 0 443.609 4.260 50 0 IIAARN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCc1cc(F)cc(F)c1 ZINC000096396467 569399145 /nfs/dbraw/zinc/39/91/45/569399145.db2.gz FCCWGBDDFRQTOB-UHFFFAOYSA-N 0 0 426.394 4.299 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)c2cccc(Br)c2)cc(OC)c1OC ZINC000096398940 569399834 /nfs/dbraw/zinc/39/98/34/569399834.db2.gz WQEWWVNROBAXLS-UHFFFAOYSA-N 0 0 446.301 4.426 50 0 IIAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)sc2c1 ZINC000096399489 569399973 /nfs/dbraw/zinc/39/99/73/569399973.db2.gz CWNMFXUABALIPW-UHFFFAOYSA-N 0 0 445.950 4.191 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)c(C)c3)sc2c1 ZINC000096399552 569400135 /nfs/dbraw/zinc/40/01/35/569400135.db2.gz CHNZJFUGDSHXCB-UHFFFAOYSA-N 0 0 439.559 4.236 50 0 IIAARN O=c1[nH]n(-c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c(=O)c2ccccc12 ZINC000096562075 569401029 /nfs/dbraw/zinc/40/10/29/569401029.db2.gz HPNXQXPSDQMQFF-UHFFFAOYSA-N 0 0 427.489 4.037 50 0 IIAARN Cc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2)o1 ZINC000096564569 569401356 /nfs/dbraw/zinc/40/13/56/569401356.db2.gz UHFZCMLPEIWDEI-SFHVURJKSA-N 0 0 426.270 4.262 50 0 IIAARN c1nn(Cc2ccccc2)c2nc(C3CCCCC3)nc(N3CCC4(CC3)OCCO4)c12 ZINC000096568847 569401403 /nfs/dbraw/zinc/40/14/03/569401403.db2.gz KQDWDURBQMDTML-UHFFFAOYSA-N 0 0 433.556 4.266 50 0 IIAARN CCOc1cc(C(=O)Nc2c(=O)oc3ccccc3c2NC)cc(OCC)c1OCC ZINC000096900149 569402485 /nfs/dbraw/zinc/40/24/85/569402485.db2.gz FBTKCFBSPPPGAA-UHFFFAOYSA-N 0 0 426.469 4.283 50 0 IIAARN Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN(c4nsc5ccccc54)CC3)cc2)n1 ZINC000225605479 569405565 /nfs/dbraw/zinc/40/55/65/569405565.db2.gz VATUPFOLLPLFIP-UHFFFAOYSA-N 0 0 445.592 4.380 50 0 IIAARN O=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002500201 569405817 /nfs/dbraw/zinc/40/58/17/569405817.db2.gz VEAHXGLOZPZBRB-UHFFFAOYSA-N 0 0 427.010 4.264 50 0 IIAARN C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)CCCC2)s1 ZINC000225685684 569407075 /nfs/dbraw/zinc/40/70/75/569407075.db2.gz QCXMOHYWWYMBSQ-CYBMUJFWSA-N 0 0 440.487 4.387 50 0 IIAARN O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225705665 569407259 /nfs/dbraw/zinc/40/72/59/569407259.db2.gz ZEUDXZWDQZQTEO-UHFFFAOYSA-N 0 0 430.483 4.307 50 0 IIAARN Cc1nc(N2CCC(NC(=O)CCc3cccc(Cl)c3)CC2)cc(C(F)(F)F)n1 ZINC000225726213 569407526 /nfs/dbraw/zinc/40/75/26/569407526.db2.gz FXUQTYSRMIFXLV-UHFFFAOYSA-N 0 0 426.870 4.175 50 0 IIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736854 569407769 /nfs/dbraw/zinc/40/77/69/569407769.db2.gz GXYSIZXNXQDPER-GFCCVEGCSA-N 0 0 441.258 4.249 50 0 IIAARN Cc1nn(C[C@H](C)C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1Br ZINC000028229989 569409348 /nfs/dbraw/zinc/40/93/48/569409348.db2.gz CBFWNTZPFBDSTE-AWEZNQCLSA-N 0 0 430.350 4.090 50 0 IIAARN CCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000002617130 569410244 /nfs/dbraw/zinc/41/02/44/569410244.db2.gz WFXMZEOIMRFOTR-UHFFFAOYSA-N 0 0 437.517 4.114 50 0 IIAARN CC1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)CC1 ZINC000002623298 569411411 /nfs/dbraw/zinc/41/14/11/569411411.db2.gz ZBFAGLPXHBVGQD-UHFFFAOYSA-N 0 0 436.537 4.014 50 0 IIAARN CCOc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nnc2-c2cccnc2)cc1 ZINC000002625108 569411511 /nfs/dbraw/zinc/41/15/11/569411511.db2.gz IREQOEFJRFNJNX-UHFFFAOYSA-N 0 0 445.548 4.483 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nnc2-c2ccccc2F)cc1 ZINC000002625684 569411654 /nfs/dbraw/zinc/41/16/54/569411654.db2.gz BGIWFPCWZJKCQW-IAGOWNOFSA-N 0 0 440.544 4.110 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000002625844 569411693 /nfs/dbraw/zinc/41/16/93/569411693.db2.gz BLKFNYLPEVQWFZ-SFHVURJKSA-N 0 0 430.382 4.384 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)c1C ZINC000002629027 569411968 /nfs/dbraw/zinc/41/19/68/569411968.db2.gz UECFFGKVWIPLGM-UHFFFAOYSA-N 0 0 449.374 4.274 50 0 IIAARN COc1cc(CCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc(OC)c1OC ZINC000002630120 569412210 /nfs/dbraw/zinc/41/22/10/569412210.db2.gz NDMFRVBFWMHCFT-UHFFFAOYSA-N 0 0 426.465 4.112 50 0 IIAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002634902 569412816 /nfs/dbraw/zinc/41/28/16/569412816.db2.gz PVTMJEGFMGFLMH-UHFFFAOYSA-N 0 0 437.443 4.436 50 0 IIAARN Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000002649333 569414552 /nfs/dbraw/zinc/41/45/52/569414552.db2.gz POZMQTIEUAZEPG-UHFFFAOYSA-N 0 0 448.928 4.123 50 0 IIAARN O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000215740286 569414630 /nfs/dbraw/zinc/41/46/30/569414630.db2.gz MKVLYRMBODFJJT-RELWKKBWSA-N 0 0 446.938 4.106 50 0 IIAARN O=c1nc(CN2CCN(c3ccccc3F)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000002653726 569415164 /nfs/dbraw/zinc/41/51/64/569415164.db2.gz CZPCKXPWZPGGTJ-UHFFFAOYSA-N 0 0 426.542 4.174 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000002654474 569415287 /nfs/dbraw/zinc/41/52/87/569415287.db2.gz UKRULGYSUSANGY-UHFFFAOYSA-N 0 0 436.533 4.422 50 0 IIAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000002655970 569415449 /nfs/dbraw/zinc/41/54/49/569415449.db2.gz KUYLLIUVRUGPEU-QHCPKHFHSA-N 0 0 429.497 4.487 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)cc2)n1 ZINC000002663795 569416395 /nfs/dbraw/zinc/41/63/95/569416395.db2.gz CBHIUVQJGFPROI-JOCHJYFZSA-N 0 0 435.524 4.126 50 0 IIAARN CC[C@@H](Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1)C(=O)OC ZINC000002706207 569417561 /nfs/dbraw/zinc/41/75/61/569417561.db2.gz RYOQNNHEICCYJT-CQSZACIVSA-N 0 0 435.962 4.047 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000002717847 569417933 /nfs/dbraw/zinc/41/79/33/569417933.db2.gz SGVQVLWREUDJHR-UHFFFAOYSA-N 0 0 425.901 4.214 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)c1 ZINC000002718073 569418070 /nfs/dbraw/zinc/41/80/70/569418070.db2.gz HOBDZCSSLKPFTB-UHFFFAOYSA-N 0 0 433.537 4.486 50 0 IIAARN COc1cc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc(OC)c1OC ZINC000002725961 569418605 /nfs/dbraw/zinc/41/86/05/569418605.db2.gz BFTBSZZCWPFUIM-NRFANRHFSA-N 0 0 442.556 4.403 50 0 IIAARN CCn1cc(-c2ccnc(SCC(=O)Nc3c(F)c(F)c(F)c(F)c3F)n2)c(C)n1 ZINC000002731108 569419468 /nfs/dbraw/zinc/41/94/68/569419468.db2.gz BFCCKYHARYJKKB-UHFFFAOYSA-N 0 0 443.401 4.095 50 0 IIAARN Cc1nn(Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)o2)c(C)c1Br ZINC000002763313 569420605 /nfs/dbraw/zinc/42/06/05/569420605.db2.gz QZWBRACYOPBUKD-UHFFFAOYSA-N 0 0 432.362 4.458 50 0 IIAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002778270 569421041 /nfs/dbraw/zinc/42/10/41/569421041.db2.gz IVMWHUANCMENLA-UHFFFAOYSA-N 0 0 449.399 4.079 50 0 IIAARN Brc1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c1 ZINC000002787453 569421408 /nfs/dbraw/zinc/42/14/08/569421408.db2.gz NUZWSMCDRGBCFJ-UHFFFAOYSA-N 0 0 441.314 4.095 50 0 IIAARN Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)c1 ZINC000002798188 569422134 /nfs/dbraw/zinc/42/21/34/569422134.db2.gz NLERCGDPEOFRKB-UHFFFAOYSA-N 0 0 444.944 4.173 50 0 IIAARN Cc1ccnn1[C@H](C)C1N=NC(=S)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002808570 569422711 /nfs/dbraw/zinc/42/27/11/569422711.db2.gz IIYJYRVZJWWHSC-GFCCVEGCSA-N 0 0 434.356 4.222 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)NC1CCCCC1 ZINC000002908956 569424725 /nfs/dbraw/zinc/42/47/25/569424725.db2.gz WJIPDTDUGXLIGR-UHFFFAOYSA-N 0 0 431.558 4.186 50 0 IIAARN Cc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911167 569424850 /nfs/dbraw/zinc/42/48/50/569424850.db2.gz MFDBGCSTXLMMGM-UHFFFAOYSA-N 0 0 428.876 4.255 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cnn1-c1cccc(Cl)c1 ZINC000029067162 569425534 /nfs/dbraw/zinc/42/55/34/569425534.db2.gz YTJRHUXRPKRIGA-UHFFFAOYSA-N 0 0 436.821 4.379 50 0 IIAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(Br)s1 ZINC000029071985 569425897 /nfs/dbraw/zinc/42/58/97/569425897.db2.gz CXTSYYSVTOASJT-UHFFFAOYSA-N 0 0 435.265 4.075 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000002928937 569426005 /nfs/dbraw/zinc/42/60/05/569426005.db2.gz SUEHLYIEYURQJG-UHFFFAOYSA-N 0 0 434.492 4.440 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nnc(SCC)s2)c1C ZINC000002930743 569426139 /nfs/dbraw/zinc/42/61/39/569426139.db2.gz KKPZEQJXIXPVNO-UHFFFAOYSA-N 0 0 448.545 4.382 50 0 IIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(C)C)c(=O)cc1[C@H](NC(C)=O)CCC2 ZINC000002944443 569426921 /nfs/dbraw/zinc/42/69/21/569426921.db2.gz BMTFSJNNGATRKG-LJQANCHMSA-N 0 0 440.540 4.073 50 0 biogenic IIAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000056949973 569428512 /nfs/dbraw/zinc/42/85/12/569428512.db2.gz OMJUCHWJXURFGE-UHFFFAOYSA-N 0 0 440.927 4.203 50 0 IIAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCc1ccccc1)CO3 ZINC000057140212 569429755 /nfs/dbraw/zinc/42/97/55/569429755.db2.gz ZWEHAFQZLVGOPB-UHFFFAOYSA-N 0 0 441.911 4.255 50 0 IIAARN Cc1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C(C)C)n1 ZINC000227159882 569431763 /nfs/dbraw/zinc/43/17/63/569431763.db2.gz OLIGDMXJOSXUKQ-CQSZACIVSA-N 0 0 432.322 4.127 50 0 IIAARN COc1ccc(CNC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Br)cc1 ZINC000227161529 569431796 /nfs/dbraw/zinc/43/17/96/569431796.db2.gz JFAXVZVMJXOWKM-UHFFFAOYSA-N 0 0 444.329 4.117 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 ZINC000230075801 569433372 /nfs/dbraw/zinc/43/33/72/569433372.db2.gz RVGIQKOOQUSUFV-ZDFPQIBNSA-N 0 0 444.874 4.206 50 0 IIAARN O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1ccc(Cl)cc1F ZINC000057486124 569436402 /nfs/dbraw/zinc/43/64/02/569436402.db2.gz ICXKFSSGAWQATB-UHFFFAOYSA-N 0 0 436.668 4.104 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1ccccc1F ZINC000057425440 569434393 /nfs/dbraw/zinc/43/43/93/569434393.db2.gz SEJGPEOMFBPYQU-UHFFFAOYSA-N 0 0 425.510 4.376 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 ZINC000057425490 569434428 /nfs/dbraw/zinc/43/44/28/569434428.db2.gz XCSYUPOGJURZJQ-UHFFFAOYSA-N 0 0 449.557 4.440 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CS(=O)(=O)C3)cc1 ZINC000003008552 569435254 /nfs/dbraw/zinc/43/52/54/569435254.db2.gz OHCDTEAHHYLTPA-UHFFFAOYSA-N 0 0 436.320 4.168 50 0 IIAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000057473104 569435686 /nfs/dbraw/zinc/43/56/86/569435686.db2.gz PRZHPXWCTMZWFL-UHFFFAOYSA-N 0 0 447.922 4.120 50 0 IIAARN CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000003022697 569436044 /nfs/dbraw/zinc/43/60/44/569436044.db2.gz ISGCBRQVLIHENC-UHFFFAOYSA-N 0 0 430.476 4.258 50 0 IIAARN CCOC(=O)CCN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000003026261 569436299 /nfs/dbraw/zinc/43/62/99/569436299.db2.gz OJGJTKXBYZXAST-UHFFFAOYSA-N 0 0 446.352 4.146 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccco1 ZINC000057486939 569436574 /nfs/dbraw/zinc/43/65/74/569436574.db2.gz NISRVDLUSVUBKK-UHFFFAOYSA-N 0 0 445.248 4.016 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)NCc1ccccc1 ZINC000057486997 569436592 /nfs/dbraw/zinc/43/65/92/569436592.db2.gz DHYPUKMOCKKLQH-UHFFFAOYSA-N 0 0 442.397 4.420 50 0 IIAARN CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1 ZINC000057486933 569436618 /nfs/dbraw/zinc/43/66/18/569436618.db2.gz DOLOITYTFZYHKM-UHFFFAOYSA-N 0 0 435.297 4.269 50 0 IIAARN 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COc1ccc(NC(=O)CSc2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000008851376 569479403 /nfs/dbraw/zinc/47/94/03/569479403.db2.gz PDDUCCQOEVUDRW-UHFFFAOYSA-N 0 0 445.610 4.432 50 0 IIAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1Cl ZINC000008852901 569479486 /nfs/dbraw/zinc/47/94/86/569479486.db2.gz RQLVDVQWZDXSQG-LLVKDONJSA-N 0 0 443.891 4.433 50 0 IIAARN COc1ccccc1CNC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008852800 569479492 /nfs/dbraw/zinc/47/94/92/569479492.db2.gz FVITWXICNMHWTP-UHFFFAOYSA-N 0 0 441.578 4.050 50 0 IIAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c2ccccc2S1 ZINC000008855658 569479670 /nfs/dbraw/zinc/47/96/70/569479670.db2.gz XLRYEUULQNQXMP-JLCFBVMHSA-N 0 0 443.956 4.025 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1 ZINC000008855781 569479733 /nfs/dbraw/zinc/47/97/33/569479733.db2.gz DREHRTSBAZVGOC-SFHVURJKSA-N 0 0 427.526 4.107 50 0 IIAARN CC[C@@H](C)Nc1nc(NCCOC23CC4CC(CC(C4)C2)C3)nc(OCC(F)(F)F)n1 ZINC000008856965 569479839 /nfs/dbraw/zinc/47/98/39/569479839.db2.gz CGUUQTYRLKEGJA-XXWNAHEMSA-N 0 0 443.514 4.420 50 0 IIAARN COc1ccc(OCCSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000008861755 569480057 /nfs/dbraw/zinc/48/00/57/569480057.db2.gz QCTMDXVXPLGPMI-SFHVURJKSA-N 0 0 446.956 4.409 50 0 IIAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)c4nccc(C)n4)cc3)c2c(C)c1 ZINC000008867706 569480300 /nfs/dbraw/zinc/48/03/00/569480300.db2.gz GESDHQKUTOLWIB-UHFFFAOYSA-N 0 0 435.505 4.162 50 0 IIAARN CCOc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869790 569480490 /nfs/dbraw/zinc/48/04/90/569480490.db2.gz HIGPADKYWMQYFN-NRFANRHFSA-N 0 0 429.582 4.212 50 0 IIAARN COCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008870310 569480577 /nfs/dbraw/zinc/48/05/77/569480577.db2.gz FEQUGIWFGBJUHF-UHFFFAOYSA-N 0 0 437.901 4.307 50 0 IIAARN COC(=O)c1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000008877594 569481178 /nfs/dbraw/zinc/48/11/78/569481178.db2.gz VSJMQQIRGVATLO-UHFFFAOYSA-N 0 0 437.452 4.302 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000039973573 569482157 /nfs/dbraw/zinc/48/21/57/569482157.db2.gz KAXQWTIQQMYECM-CKFHNAJUSA-N 0 0 431.558 4.076 50 0 IIAARN COC1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000040023604 569482765 /nfs/dbraw/zinc/48/27/65/569482765.db2.gz JLCDXMLXYDXCHA-UHFFFAOYSA-N 0 0 435.446 4.007 50 0 IIAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008882280 569482923 /nfs/dbraw/zinc/48/29/23/569482923.db2.gz WEUPNEQTDGFVIN-CSNVJCEJSA-N 0 0 426.481 4.014 50 0 IIAARN Cc1ccnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000040040359 569483475 /nfs/dbraw/zinc/48/34/75/569483475.db2.gz FZKUPIDPLFLFSV-HSZRJFAPSA-N 0 0 445.544 4.072 50 0 IIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cs1 ZINC000040058945 569484691 /nfs/dbraw/zinc/48/46/91/569484691.db2.gz QHVQKGYOFWWHKW-UHFFFAOYSA-N 0 0 427.551 4.001 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)cc1OC ZINC000008911762 569484906 /nfs/dbraw/zinc/48/49/06/569484906.db2.gz ONSZRMLDVACSQF-UHFFFAOYSA-N 0 0 439.581 4.463 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)s1 ZINC000008912635 569485040 /nfs/dbraw/zinc/48/50/40/569485040.db2.gz IUPMQHZDDZTHSN-UHFFFAOYSA-N 0 0 429.977 4.132 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)s1 ZINC000008912649 569485089 /nfs/dbraw/zinc/48/50/89/569485089.db2.gz DQWZPQWKHVPNKS-QGZVFWFLSA-N 0 0 437.613 4.300 50 0 IIAARN Cc1ccc2c(CC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)coc2c1 ZINC000008915147 569485525 /nfs/dbraw/zinc/48/55/25/569485525.db2.gz IEPWWLHUBLPREP-IBGZPJMESA-N 0 0 431.941 4.153 50 0 IIAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000008916294 569485773 /nfs/dbraw/zinc/48/57/73/569485773.db2.gz GYAQAVHFURTWKC-UHFFFAOYSA-N 0 0 427.913 4.389 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000040072697 569485971 /nfs/dbraw/zinc/48/59/71/569485971.db2.gz BLJVZOKZGHWACJ-UHFFFAOYSA-N 0 0 441.553 4.302 50 0 IIAARN COc1ccc(CNc2oc(Cc3ccc(OC)cc3)nc2P(=O)(OC)OC)cc1 ZINC000008917451 569486050 /nfs/dbraw/zinc/48/60/50/569486050.db2.gz AZFVEUJYWZRGSV-UHFFFAOYSA-N 0 0 432.413 4.006 50 0 IIAARN CCCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000008918051 569486242 /nfs/dbraw/zinc/48/62/42/569486242.db2.gz AEGPEEMAIWHGII-FNZWTVRRSA-N 0 0 441.568 4.367 50 0 biogenic IIAARN COc1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918890 569486338 /nfs/dbraw/zinc/48/63/38/569486338.db2.gz XFCVACHXVWXPNL-UHFFFAOYSA-N 0 0 446.544 4.036 50 0 IIAARN COc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)c1 ZINC000008918598 569486342 /nfs/dbraw/zinc/48/63/42/569486342.db2.gz HAVZSUYWWCSVAL-CRWWQRIJSA-N 0 0 427.342 4.485 50 0 biogenic IIAARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918733 569486369 /nfs/dbraw/zinc/48/63/69/569486369.db2.gz STGCFWITUOEYGB-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(F)c1 ZINC000008920662 569486519 /nfs/dbraw/zinc/48/65/19/569486519.db2.gz XSCLQHZIXPLMLQ-UHFFFAOYSA-N 0 0 425.876 4.340 50 0 IIAARN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(F)cc1 ZINC000008920666 569486555 /nfs/dbraw/zinc/48/65/55/569486555.db2.gz VFHNGPQQEFMGEK-UHFFFAOYSA-N 0 0 425.876 4.340 50 0 IIAARN COc1ccc(OC)c(CC[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c1 ZINC000008932471 569487601 /nfs/dbraw/zinc/48/76/01/569487601.db2.gz PRQLHJRWJTVCSA-UHFFFAOYSA-N 0 0 440.515 4.340 50 0 IIAARN C[C@H]1CCCC[C@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933488 569487817 /nfs/dbraw/zinc/48/78/17/569487817.db2.gz JATFMSFSBHAELU-HTAPYJJXSA-N 0 0 446.526 4.234 50 0 IIAARN CNC(=O)c1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000040104564 569488135 /nfs/dbraw/zinc/48/81/35/569488135.db2.gz HJZGEMZRDAOYLF-UHFFFAOYSA-N 0 0 429.826 4.305 50 0 IIAARN O=C(NCc1nnc2n1CCC2)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000008941891 569488593 /nfs/dbraw/zinc/48/85/93/569488593.db2.gz DVOHWIJVYPNVLC-UHFFFAOYSA-N 0 0 448.324 4.132 50 0 IIAARN CSc1nc2c(cnn2CCNC(=O)c2cccc3ccccc32)c(NCC(C)C)n1 ZINC000008942633 569488660 /nfs/dbraw/zinc/48/86/60/569488660.db2.gz BQBYVTVQTNDILU-UHFFFAOYSA-N 0 0 434.569 4.199 50 0 IIAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1Cc1ccccc1 ZINC000008942353 569488676 /nfs/dbraw/zinc/48/86/76/569488676.db2.gz YNUCYSJMRMHCNH-UHFFFAOYSA-N 0 0 443.547 4.272 50 0 IIAARN COc1cc(CN(C(=O)Nc2ccccc2-n2cncn2)C2CC2)ccc1OC(F)F ZINC000040120246 569489461 /nfs/dbraw/zinc/48/94/61/569489461.db2.gz DNKDBPQFXYAULI-UHFFFAOYSA-N 0 0 429.427 4.074 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)O2)sc2c1CC[C@H](C)C2 ZINC000008951728 569489951 /nfs/dbraw/zinc/48/99/51/569489951.db2.gz CGFKVIJEIRRQCF-SUMWQHHRSA-N 0 0 427.522 4.078 50 0 IIAARN Cc1nc2c(s1)c(-c1ccccc1)nn(CC(=O)Nc1ccccc1C(F)(F)F)c2=O ZINC000008955004 569490071 /nfs/dbraw/zinc/49/00/71/569490071.db2.gz WYSZUIWUFNNTJX-UHFFFAOYSA-N 0 0 444.438 4.486 50 0 IIAARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(C)cc1 ZINC000008955512 569490094 /nfs/dbraw/zinc/49/00/94/569490094.db2.gz DOIOPYRSAOWFFS-INIZCTEOSA-N 0 0 446.352 4.283 50 0 IIAARN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c21 ZINC000040132398 569490420 /nfs/dbraw/zinc/49/04/20/569490420.db2.gz QWHULXCYNFUXND-UHFFFAOYSA-N 0 0 428.496 4.263 50 0 IIAARN Cc1cc(-c2cc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000040135692 569490785 /nfs/dbraw/zinc/49/07/85/569490785.db2.gz NREGNDDKEJYUGX-XJKSGUPXSA-N 0 0 439.585 4.084 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1F ZINC000008961077 569490873 /nfs/dbraw/zinc/49/08/73/569490873.db2.gz XXFBAFYTWXCFSM-UHFFFAOYSA-N 0 0 442.468 4.408 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1OC ZINC000008961269 569490989 /nfs/dbraw/zinc/49/09/89/569490989.db2.gz BDZMDRQABBKVPD-UHFFFAOYSA-N 0 0 440.477 4.171 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCc2ccccc2C1 ZINC000008965314 569491389 /nfs/dbraw/zinc/49/13/89/569491389.db2.gz CZNRYJQCVAQHRM-UHFFFAOYSA-N 0 0 440.547 4.169 50 0 IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000040140286 569491554 /nfs/dbraw/zinc/49/15/54/569491554.db2.gz IDQCAXQNUIKGAQ-UHFFFAOYSA-N 0 0 425.242 4.058 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cccs3)n2C2CC2)n1 ZINC000008966287 569491734 /nfs/dbraw/zinc/49/17/34/569491734.db2.gz DIDCQLDUMZOCKN-UHFFFAOYSA-N 0 0 436.570 4.453 50 0 IIAARN Cc1c(OCC(=O)NCc2cccnc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000008974647 569492882 /nfs/dbraw/zinc/49/28/82/569492882.db2.gz VGOKRQWQWPMMII-UHFFFAOYSA-N 0 0 428.488 4.091 50 0 IIAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2C1 ZINC000008977333 569493008 /nfs/dbraw/zinc/49/30/08/569493008.db2.gz INBKCDCUPZHSFD-UHFFFAOYSA-N 0 0 430.526 4.028 50 0 IIAARN Cc1cccc(NC(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)CC2)c1 ZINC000040150344 569493188 /nfs/dbraw/zinc/49/31/88/569493188.db2.gz KTPNPNFPPFTSEL-JOCHJYFZSA-N 0 0 442.991 4.311 50 0 IIAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4nc(C5CC5)no4)c3)CC2=O)cc1 ZINC000040153009 569493568 /nfs/dbraw/zinc/49/35/68/569493568.db2.gz UMXKIQFTJHFZNR-QGZVFWFLSA-N 0 0 432.480 4.004 50 0 IIAARN CCOc1cc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)ccc1OC ZINC000040156023 569494033 /nfs/dbraw/zinc/49/40/33/569494033.db2.gz SFLNCIIZZMYWHS-GFCCVEGCSA-N 0 0 436.302 4.119 50 0 IIAARN C[C@]1(CCc2ccc(OC(=O)c3ccccc3SC(F)(F)F)cc2)NC(=O)NC1=O ZINC000040156535 569494207 /nfs/dbraw/zinc/49/42/07/569494207.db2.gz PFCKBHPBLJZQGM-LJQANCHMSA-N 0 0 438.427 4.048 50 0 IIAARN CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3nc4ccccc4s3)CC2=O)cc1 ZINC000008982541 569494520 /nfs/dbraw/zinc/49/45/20/569494520.db2.gz OHKFZWJVJQUBGF-UZLBHIALSA-N 0 0 435.549 4.412 50 0 IIAARN CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1OCC ZINC000008982169 569494538 /nfs/dbraw/zinc/49/45/38/569494538.db2.gz LUTDXZVFLUKSTK-QFIPXVFZSA-N 0 0 437.558 4.177 50 0 IIAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)Nc4ccncc4)ccc3c2=O)cc1 ZINC000008993301 569495454 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O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001399018 132244900 /nfs/dbraw/zinc/24/49/00/132244900.db2.gz VTDHNDLERLZHND-LZCJLJQNSA-N 0 0 449.732 4.193 50 0 IIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C ZINC000002310418 132251831 /nfs/dbraw/zinc/25/18/31/132251831.db2.gz PIKGKDLUGBUFFR-ZDUSSCGKSA-N 0 0 427.451 4.403 50 0 IIAARN Fc1ccc(N2CCN(c3ncnc4c5cc(Br)ccc5[nH]c43)CC2)cc1 ZINC000002353244 132252656 /nfs/dbraw/zinc/25/26/56/132252656.db2.gz NTZZAQCCHXOQOY-UHFFFAOYSA-N 0 0 426.293 4.339 50 0 IIAARN Oc1ccc(N2CCN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC2)cc1 ZINC000002643195 132255692 /nfs/dbraw/zinc/25/56/92/132255692.db2.gz HMNWBLXRZPGBTB-UHFFFAOYSA-N 0 0 449.624 4.198 50 0 IIAARN O=C(CSc1nc2ccccc2o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003216989 132262291 /nfs/dbraw/zinc/26/22/91/132262291.db2.gz DUHKTACXDINFCC-UHFFFAOYSA-N 0 0 437.443 4.414 50 0 IIAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000004121120 132270128 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4.414 50 0 IIAARN CCOC(=O)c1c(C)oc2nc(C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c21 ZINC000008596772 132285271 /nfs/dbraw/zinc/28/52/71/132285271.db2.gz PSNIYADOJYFVIN-UHFFFAOYSA-N 0 0 448.445 4.362 50 0 IIAARN O=C(c1csc(-c2ccsc2)n1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008705276 132290827 /nfs/dbraw/zinc/29/08/27/132290827.db2.gz GWJMSVMARPUZLF-LJQANCHMSA-N 0 0 439.562 4.292 50 0 IIAARN Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(C)c3cc12 ZINC000008791739 132294466 /nfs/dbraw/zinc/29/44/66/132294466.db2.gz FPACYIABRBTKAN-UHFFFAOYSA-N 0 0 430.504 4.437 50 0 biogenic IIAARN O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008826390 132295392 /nfs/dbraw/zinc/29/53/92/132295392.db2.gz WAXMDDWAHXBGBO-VWLOTQADSA-N 0 0 446.572 4.412 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008898774 132297153 /nfs/dbraw/zinc/29/71/53/132297153.db2.gz ZNXBEFVUQDFZRL-UHFFFAOYSA-N 0 0 425.492 4.023 50 0 IIAARN O=C(CN1CCC(c2nc3ccccc3o2)CC1)N1c2ccccc2NC(=O)C12CCCC2 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CCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c2ccccc21 ZINC000009611106 132323293 /nfs/dbraw/zinc/32/32/93/132323293.db2.gz NTJOWKUFXOHNRV-UHFFFAOYSA-N 0 0 435.524 4.338 50 0 IIAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)[nH]c1Cc1ccccc1 ZINC000009645409 132324756 /nfs/dbraw/zinc/32/47/56/132324756.db2.gz AKNQTRWIRLMUPR-SFHVURJKSA-N 0 0 436.581 4.265 50 0 IIAARN C[C@H](C(=O)NC[C@@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000009692812 132325988 /nfs/dbraw/zinc/32/59/88/132325988.db2.gz ULZRTEAFFIVJLJ-HZUJVAHNSA-N 0 0 444.984 4.279 50 0 IIAARN Fc1cccc(-c2nnn3c2nc(N2CCC4(CC2)OCCO4)c2cc(Cl)ccc23)c1 ZINC000009858888 132330259 /nfs/dbraw/zinc/33/02/59/132330259.db2.gz FRVZDWPMVMZADZ-UHFFFAOYSA-N 0 0 439.878 4.080 50 0 IIAARN CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 ZINC000009907776 132331315 /nfs/dbraw/zinc/33/13/15/132331315.db2.gz VGYDULBRJUYFSV-UHFFFAOYSA-N 0 0 440.540 4.015 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)c1 ZINC000009971951 132333459 /nfs/dbraw/zinc/33/34/59/132333459.db2.gz NHJXLVRTXRUOIU-UHFFFAOYSA-N 0 0 445.544 4.375 50 0 IIAARN CCCCc1nnc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)s1 ZINC000012938207 132340957 /nfs/dbraw/zinc/34/09/57/132340957.db2.gz ZTVCUHWISQTJSI-UHFFFAOYSA-N 0 0 430.603 4.357 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4Cl)o3)CC2)c1C ZINC000013070433 132344039 /nfs/dbraw/zinc/34/40/39/132344039.db2.gz YTLYAWDLXCUZBG-UHFFFAOYSA-N 0 0 442.972 4.448 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000013096491 132344375 /nfs/dbraw/zinc/34/43/75/132344375.db2.gz RXWGWUPZNCIYGR-UHFFFAOYSA-N 0 0 430.430 4.427 50 0 IIAARN CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000013356614 132346498 /nfs/dbraw/zinc/34/64/98/132346498.db2.gz MKFZXRLHFOLAEJ-GOSISDBHSA-N 0 0 433.508 4.178 50 0 IIAARN O=C(C1CC1)N1CCN(c2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000014169539 132356385 /nfs/dbraw/zinc/35/63/85/132356385.db2.gz URXRWQJDDXMHQI-UHFFFAOYSA-N 0 0 443.370 4.179 50 0 IIAARN CC(=O)c1c(C)nc(C)nc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000012793004 518236444 /nfs/dbraw/zinc/23/64/44/518236444.db2.gz VOIWUPZTLYNLJQ-KRWDZBQOSA-N 0 0 431.945 4.263 50 0 IIAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cs1 ZINC000012835596 518258622 /nfs/dbraw/zinc/25/86/22/518258622.db2.gz IDLLQLBKDCSVEZ-HNNXBMFYSA-N 0 0 434.508 4.178 50 0 IIAARN CC(=O)c1cc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cs1 ZINC000012588822 518275853 /nfs/dbraw/zinc/27/58/53/518275853.db2.gz BDIQLBMURJPBDM-INIZCTEOSA-N 0 0 448.535 4.107 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C=c3sc4nc(C=Cc5ccccc5)nn4c3=O)o2)cc1 ZINC000016807455 518297143 /nfs/dbraw/zinc/29/71/43/518297143.db2.gz RQMILXOSGILKCW-LKEJKRFJSA-N 0 0 439.496 4.332 50 0 IIAARN CC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000012140804 518303067 /nfs/dbraw/zinc/30/30/67/518303067.db2.gz UQCBYULMBKFEDO-UHFFFAOYSA-N 0 0 446.370 4.470 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022834257 518378764 /nfs/dbraw/zinc/37/87/64/518378764.db2.gz VQVIJIRGOPGHKU-SFHVURJKSA-N 0 0 448.592 4.158 50 0 IIAARN CC(=O)c1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000015860925 518379177 /nfs/dbraw/zinc/37/91/77/518379177.db2.gz MHSHDJAGKNZBPJ-UHFFFAOYSA-N 0 0 436.471 4.152 50 0 IIAARN CC(=O)c1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000012927197 518395883 /nfs/dbraw/zinc/39/58/83/518395883.db2.gz BMPBNMRBXXHJMT-FQEVSTJZSA-N 0 0 448.544 4.384 50 0 IIAARN CC(=O)c1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012718662 518433751 /nfs/dbraw/zinc/43/37/51/518433751.db2.gz JHUGTMASKIIOAC-SFHVURJKSA-N 0 0 425.504 4.369 50 0 IIAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000021705780 518590764 /nfs/dbraw/zinc/59/07/64/518590764.db2.gz OYJVNAZFVISUBK-LJQANCHMSA-N 0 0 427.589 4.362 50 0 IIAARN CC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034905092 518623136 /nfs/dbraw/zinc/62/31/36/518623136.db2.gz VHUAMJMDJSBWHD-ZWKOTPCHSA-N 0 0 429.586 4.316 50 0 IIAARN CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012729855 519003571 /nfs/dbraw/zinc/00/35/71/519003571.db2.gz JIOVHSGXGAENFV-CYBMUJFWSA-N 0 0 444.384 4.028 50 0 IIAARN CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C2=O ZINC000021852103 519007056 /nfs/dbraw/zinc/00/70/56/519007056.db2.gz FFHBTIWQJNUAHX-VWLOTQADSA-N 0 0 440.563 4.183 50 0 IIAARN CC(C)(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000012911525 519039722 /nfs/dbraw/zinc/03/97/22/519039722.db2.gz NUGVMBREVSRALP-UHFFFAOYSA-N 0 0 436.508 4.220 50 0 IIAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCCc3ccccc3)N2C1=O ZINC000021644402 519278556 /nfs/dbraw/zinc/27/85/56/519278556.db2.gz QRAZQJLQQJZLGY-UWJYYQICSA-N 0 0 448.592 4.172 50 0 IIAARN CC(C)Cc1nn2c(nc(COc3ccc(NC(=O)c4cccs4)cc3)cc2=O)s1 ZINC000020859287 519465696 /nfs/dbraw/zinc/46/56/96/519465696.db2.gz MKRONXKWNSKKDO-UHFFFAOYSA-N 0 0 440.550 4.242 50 0 IIAARN CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CC1 ZINC000012912558 519481213 /nfs/dbraw/zinc/48/12/13/519481213.db2.gz MNTWIOAFMRPDDD-SECBINFHSA-N 0 0 446.476 4.071 50 0 IIAARN CC(=O)N1CCC(N(CCCOC(C)C)C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000020725388 519512352 /nfs/dbraw/zinc/51/23/52/519512352.db2.gz LHHFKWCYGZFOOV-UHFFFAOYSA-N 0 0 429.989 4.304 50 0 IIAARN CC(C)Cn1cnc2nc(CSc3ccccc3NC(=O)c3ccccc3)cc(=O)n21 ZINC000021797448 519528305 /nfs/dbraw/zinc/52/83/05/519528305.db2.gz WEJWLUVFAAFZKK-UHFFFAOYSA-N 0 0 433.537 4.092 50 0 IIAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C)C/C3=C\c2ccco2)CC1 ZINC000012732709 519579058 /nfs/dbraw/zinc/57/90/58/519579058.db2.gz MIULARFYLQWLME-FDCFBWIESA-N 0 0 429.520 4.255 50 0 IIAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C)C/C3=C\c2ccco2)CC1 ZINC000012732712 519579516 /nfs/dbraw/zinc/57/95/16/519579516.db2.gz MIULARFYLQWLME-PJCCXHTNSA-N 0 0 429.520 4.255 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)ccc21 ZINC000012544686 519631146 /nfs/dbraw/zinc/63/11/46/519631146.db2.gz ZGZLRSVVCUNVMP-CYBMUJFWSA-N 0 0 437.883 4.067 50 0 IIAARN CC(=O)N1CCc2cc(NC(=O)CN3Cc4ccccc4[C@H](c4ccccc4)C3)ccc21 ZINC000012793832 519631658 /nfs/dbraw/zinc/63/16/58/519631658.db2.gz VFWQEZNFNKUQFK-VWLOTQADSA-N 0 0 425.532 4.182 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896355 519642983 /nfs/dbraw/zinc/64/29/83/519642983.db2.gz QFZMJOVBAUDDHV-JOCHJYFZSA-N 0 0 441.553 4.071 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cc(C)ccc3C)c2)S1 ZINC000020896547 519643584 /nfs/dbraw/zinc/64/35/84/519643584.db2.gz SDDWTFXRKVVVTI-JOCHJYFZSA-N 0 0 441.553 4.152 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000035399869 519664546 /nfs/dbraw/zinc/66/45/46/519664546.db2.gz DFCWEVJNKZCHKW-IVZQSRNASA-N 0 0 445.951 4.059 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000012444197 519723093 /nfs/dbraw/zinc/72/30/93/519723093.db2.gz 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CCOc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)nc(C)n1 ZINC000012226326 520765446 /nfs/dbraw/zinc/76/54/46/520765446.db2.gz OKIKWRQMZKEBJY-UHFFFAOYSA-N 0 0 442.541 4.354 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1OC ZINC000012932013 520781509 /nfs/dbraw/zinc/78/15/09/520781509.db2.gz AFMLFEDMTKQEEV-KRWDZBQOSA-N 0 0 440.565 4.370 50 0 IIAARN CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)OCC ZINC000036006795 520792807 /nfs/dbraw/zinc/79/28/07/520792807.db2.gz KPHZCCHGIBQUGN-IBGZPJMESA-N 0 0 435.318 4.260 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000021044098 520797358 /nfs/dbraw/zinc/79/73/58/520797358.db2.gz VFDMZUMIRASNPH-HXUWFJFHSA-N 0 0 426.513 4.487 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cccc(OC)c1)CC2 ZINC000021156149 520797805 /nfs/dbraw/zinc/79/78/05/520797805.db2.gz IINHXUNRJGUOFA-HXUWFJFHSA-N 0 0 442.512 4.187 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)NCc1ccc(C)cc1)CC2 ZINC000021044176 520798446 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Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)c1 ZINC000012447282 524138519 /nfs/dbraw/zinc/13/85/19/524138519.db2.gz RWFRMMLTTTXIFX-UHFFFAOYSA-N 0 0 439.515 4.187 50 0 biogenic,in-vitro IIAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c1 ZINC000016647534 524141783 /nfs/dbraw/zinc/14/17/83/524141783.db2.gz HVMYVYBWNQRUNW-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc(C)c(N3CCNC3=O)c2)c1C ZINC000012707169 524147974 /nfs/dbraw/zinc/14/79/74/524147974.db2.gz QAJGVTXRJCYFKX-NRFANRHFSA-N 0 0 443.551 4.135 50 0 IIAARN Cc1ccc(C)c(OCCCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 ZINC000012895205 524174665 /nfs/dbraw/zinc/17/46/65/524174665.db2.gz CYDIUQAUEQECQU-OAQYLSRUSA-N 0 0 431.330 4.302 50 0 IIAARN Cc1ccc(C)c([C@@H](C)CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000012581399 524202398 /nfs/dbraw/zinc/20/23/98/524202398.db2.gz BOALRKFSJTZTKS-WMJZSHNHSA-N 0 0 440.609 4.236 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000021522997 524221969 /nfs/dbraw/zinc/22/19/69/524221969.db2.gz TVWKSWDSCAKWKE-SFHVURJKSA-N 0 0 444.004 4.174 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012809934 524222302 /nfs/dbraw/zinc/22/23/02/524222302.db2.gz PDZSTTZJYSESMW-UHFFFAOYSA-N 0 0 436.961 4.095 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000012140493 524226541 /nfs/dbraw/zinc/22/65/41/524226541.db2.gz PNIJDAHATOQHCR-UHFFFAOYSA-N 0 0 429.885 4.265 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(C)(C(=O)NCc2ccc(F)cc2)CC1 ZINC000035530230 524231347 /nfs/dbraw/zinc/23/13/47/524231347.db2.gz GJRXUZZXYITJJF-UHFFFAOYSA-N 0 0 433.911 4.438 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000012759724 524235872 /nfs/dbraw/zinc/23/58/72/524235872.db2.gz RKLQJLQHCKOEJJ-GFCCVEGCSA-N 0 0 441.384 4.050 50 0 IIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000012787274 524236187 /nfs/dbraw/zinc/23/61/87/524236187.db2.gz CQSOEXSVZGRPKN-MRXNPFEDSA-N 0 0 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ZINC000020356017 524326486 /nfs/dbraw/zinc/32/64/86/524326486.db2.gz KUAIIWCCSFVYNP-UHFFFAOYSA-N 0 0 435.553 4.390 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000012630742 524327080 /nfs/dbraw/zinc/32/70/80/524327080.db2.gz VFGSWHODIREJKI-UHFFFAOYSA-N 0 0 448.541 4.353 50 0 IIAARN COc1ccc(N(C(C)=O)c2nc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cs2)cc1 ZINC000012893129 524338593 /nfs/dbraw/zinc/33/85/93/524338593.db2.gz VDXIVPFNGIUOHG-NDENLUEZSA-N 0 0 433.489 4.489 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(C)c(OCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000041077364 524356008 /nfs/dbraw/zinc/35/60/08/524356008.db2.gz GWNCLBLORNKJOK-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccncc3)[C@@H]2c2ccccc2OC)cc1 ZINC000012527795 524388730 /nfs/dbraw/zinc/38/87/30/524388730.db2.gz HEVREWWAUKZUAB-URXFXBBRSA-N 0 0 431.492 4.222 50 0 IIAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000021856792 524399477 /nfs/dbraw/zinc/39/94/77/524399477.db2.gz UEGGNTTZNDJXDR-AREMUKBSSA-N 0 0 447.535 4.136 50 0 IIAARN COc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862007 524400834 /nfs/dbraw/zinc/40/08/34/524400834.db2.gz LHUDTSHBRFLICI-AREMUKBSSA-N 0 0 446.551 4.303 50 0 IIAARN Cc1cccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000032995197 524414595 /nfs/dbraw/zinc/41/45/95/524414595.db2.gz FCORLGPOLVEHTI-UHFFFAOYSA-N 0 0 428.945 4.391 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCCOC(C)C)cc1 ZINC000021859213 524432484 /nfs/dbraw/zinc/43/24/84/524432484.db2.gz UFEYKNUWHHVEAP-HHHXNRCGSA-N 0 0 447.579 4.296 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021810967 524444683 /nfs/dbraw/zinc/44/46/83/524444683.db2.gz QXJBJQFFIBZWQS-QVTSAQFISA-N 0 0 449.551 4.353 50 0 IIAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)o3)cc2C1 ZINC000012614104 524445212 /nfs/dbraw/zinc/44/52/12/524445212.db2.gz OYZBPFANTCWUQO-NSHDSACASA-N 0 0 429.523 4.382 50 0 IIAARN COc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c(OC)c1 ZINC000020722709 524447982 /nfs/dbraw/zinc/44/79/82/524447982.db2.gz WYHBUHOBJXDHRX-CYBMUJFWSA-N 0 0 433.386 4.293 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c(OC)c1 ZINC000035398632 524473000 /nfs/dbraw/zinc/47/30/00/524473000.db2.gz UCPGJPHNPUNYII-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 ZINC000021650313 524474195 /nfs/dbraw/zinc/47/41/95/524474195.db2.gz VPWAFPPSGCFFKB-UHFFFAOYSA-N 0 0 447.539 4.003 50 0 IIAARN C[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2S1 ZINC000017525752 524475967 /nfs/dbraw/zinc/47/59/67/524475967.db2.gz HXVWLFYLERRWON-IAGOWNOFSA-N 0 0 448.585 4.144 50 0 IIAARN COc1ccccc1CNC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 ZINC000012568643 524483751 /nfs/dbraw/zinc/48/37/51/524483751.db2.gz LFYDFDYUIRRTRI-UHFFFAOYSA-N 0 0 432.545 4.307 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)Nn3cnc4scc(-c5ccccc5)c4c3=O)cc2)n1 ZINC000012814058 524484700 /nfs/dbraw/zinc/48/47/00/524484700.db2.gz ROPUCARLPAZZCO-UHFFFAOYSA-N 0 0 441.516 4.311 50 0 IIAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CCC(=O)N(Cc4ccccc4F)C3)c2)n1 ZINC000012431315 524492118 /nfs/dbraw/zinc/49/21/18/524492118.db2.gz RKEOSYOBOPWSKZ-QFIPXVFZSA-N 0 0 448.542 4.025 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3ncnc4onc(-c5ccc(C)cc5)c43)CC2)cc1 ZINC000033084782 524497788 /nfs/dbraw/zinc/49/77/88/524497788.db2.gz VDIWSHZCOAPLLU-UHFFFAOYSA-N 0 0 441.535 4.434 50 0 IIAARN COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1Cl ZINC000024608169 524498088 /nfs/dbraw/zinc/49/80/88/524498088.db2.gz WSMJGSINUVFJJW-UHFFFAOYSA-N 0 0 446.887 4.302 50 0 IIAARN Cc1ccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1 ZINC000035533642 524509182 /nfs/dbraw/zinc/50/91/82/524509182.db2.gz ACYIXJOSZAPBQS-OAHLLOKOSA-N 0 0 427.599 4.040 50 0 IIAARN Cc1ccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1 ZINC000021644068 524509924 /nfs/dbraw/zinc/50/99/24/524509924.db2.gz XUYJCHIQFBVMDK-FQEVSTJZSA-N 0 0 434.565 4.049 50 0 IIAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000012209881 524527062 /nfs/dbraw/zinc/52/70/62/524527062.db2.gz VBPCLCHOTLLDIK-UHFFFAOYSA-N 0 0 436.533 4.261 50 0 IIAARN COc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c(OC)c1 ZINC000032949976 524542337 /nfs/dbraw/zinc/54/23/37/524542337.db2.gz PXQDNJUEOUDPAX-UHFFFAOYSA-N 0 0 449.433 4.336 50 0 IIAARN Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1C ZINC000012863512 524543278 /nfs/dbraw/zinc/54/32/78/524543278.db2.gz VXSWGSFSNAXQHB-UHFFFAOYSA-N 0 0 439.987 4.158 50 0 IIAARN Cc1cccc(N2CCN(C(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)c1 ZINC000012564795 524547694 /nfs/dbraw/zinc/54/76/94/524547694.db2.gz NJVCRKMKGRNNIE-LJQANCHMSA-N 0 0 449.498 4.166 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3c(F)cccc3OC)sc2C)CC1 ZINC000011866111 524551450 /nfs/dbraw/zinc/55/14/50/524551450.db2.gz JJBFTTYKASCBGL-UHFFFAOYSA-N 0 0 441.528 4.237 50 0 IIAARN Cc1cc(C)n2ncc(C(=O)N3CC4(CCCC4)c4cc5c(cc4[C@@H]3C)OCCO5)c2n1 ZINC000012852348 524572158 /nfs/dbraw/zinc/57/21/58/524572158.db2.gz VTJASIULQPNQMC-KRWDZBQOSA-N 0 0 432.524 4.146 50 0 IIAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021099999 524579913 /nfs/dbraw/zinc/57/99/13/524579913.db2.gz LZIYHQWETZMERJ-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000023382101 524602571 /nfs/dbraw/zinc/60/25/71/524602571.db2.gz KMNFOXYPTGZHDE-JOCHJYFZSA-N 0 0 440.503 4.470 50 0 IIAARN Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)c1C ZINC000035477196 524608853 /nfs/dbraw/zinc/60/88/53/524608853.db2.gz FGWXFMPWMGJUDV-UHFFFAOYSA-N 0 0 439.515 4.187 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)c1 ZINC000012229137 524610807 /nfs/dbraw/zinc/61/08/07/524610807.db2.gz VPNPAWSCPBMLES-UHFFFAOYSA-N 0 0 429.524 4.270 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c(OC)c1 ZINC000020722019 524613403 /nfs/dbraw/zinc/61/34/03/524613403.db2.gz WRDFTOVTRNHREZ-QGZVFWFLSA-N 0 0 426.860 4.392 50 0 IIAARN Cc1cccc(NC(=O)N2CCC(CCNC(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000033126010 524615548 /nfs/dbraw/zinc/61/55/48/524615548.db2.gz OACJIRAQFDUYDN-UHFFFAOYSA-N 0 0 429.948 4.478 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1OC ZINC000012556927 524634915 /nfs/dbraw/zinc/63/49/15/524634915.db2.gz GYBKCAGPFZLZFH-UHFFFAOYSA-N 0 0 440.521 4.374 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3cc(C(C)=O)ccc3OC)cc2)cc1 ZINC000012700846 524635839 /nfs/dbraw/zinc/63/58/39/524635839.db2.gz WGZXCFLHFUUGPY-UHFFFAOYSA-N 0 0 432.476 4.340 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000012914714 524671331 /nfs/dbraw/zinc/67/13/31/524671331.db2.gz UBGVMJBJVBRYLS-UHFFFAOYSA-N 0 0 433.443 4.021 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)s2)cc1 ZINC000012857243 524693182 /nfs/dbraw/zinc/69/31/82/524693182.db2.gz WVZPJEUYIKQQPZ-UHFFFAOYSA-N 0 0 441.578 4.007 50 0 IIAARN Cc1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)n1 ZINC000021260931 524701352 /nfs/dbraw/zinc/70/13/52/524701352.db2.gz YTHIBDWMHSTVRC-UHFFFAOYSA-N 0 0 436.360 4.181 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907621 524739751 /nfs/dbraw/zinc/73/97/51/524739751.db2.gz CEXXAXAJHBZMIV-NRFANRHFSA-N 0 0 437.927 4.096 50 0 IIAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1=O ZINC000015843048 524748593 /nfs/dbraw/zinc/74/85/93/524748593.db2.gz XLIKWGJWSQFTFZ-INIZCTEOSA-N 0 0 436.489 4.044 50 0 IIAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000016903225 524765225 /nfs/dbraw/zinc/76/52/25/524765225.db2.gz IUIZTGYHCGTBBN-RBBKRZOGSA-N 0 0 441.531 4.305 50 0 IIAARN Cc1cccc(OCc2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)c1 ZINC000021886587 524765939 /nfs/dbraw/zinc/76/59/39/524765939.db2.gz LGMSSIOLHPUTGB-UHFFFAOYSA-N 0 0 427.526 4.045 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)NC(C)C ZINC000035948955 524808041 /nfs/dbraw/zinc/80/80/41/524808041.db2.gz KRSVSEKESDTCIF-HXUWFJFHSA-N 0 0 442.947 4.076 50 0 IIAARN COc1ccc(OC)c(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000012755754 524850546 /nfs/dbraw/zinc/85/05/46/524850546.db2.gz JYARJSLKYHGMHE-UHFFFAOYSA-N 0 0 449.532 4.479 50 0 IIAARN C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000012507972 524865321 /nfs/dbraw/zinc/86/53/21/524865321.db2.gz LALPSWVGCIIKMO-CALCHBBNSA-N 0 0 430.570 4.034 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000012858163 524898709 /nfs/dbraw/zinc/89/87/09/524898709.db2.gz ZWTWXJZUUOVCIG-QFZRFWILSA-N 0 0 425.525 4.221 50 0 IIAARN C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2ccc3nsnc3c2)on1 ZINC000014978690 524898905 /nfs/dbraw/zinc/89/89/05/524898905.db2.gz APPMDORNTFCALM-ZDUSSCGKSA-N 0 0 436.493 4.026 50 0 IIAARN Cc1cccc2c1ncn(CC(=O)NC[C@H]1CC3c4ccccc4C1c1ccccc13)c2=O ZINC000022878833 524966477 /nfs/dbraw/zinc/96/64/77/524966477.db2.gz AROBWRWRQNDCAT-UEXBFKPASA-N 0 0 435.527 4.118 50 0 IIAARN Cc1cccc2[nH]c(CCNC(=O)c3cn(C(c4ccccc4)c4ccccc4)nn3)nc21 ZINC000012434119 524974590 /nfs/dbraw/zinc/97/45/90/524974590.db2.gz AAIDFIKCJKGQJY-UHFFFAOYSA-N 0 0 436.519 4.073 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(SCC(=O)Nc4cc(C)ccc4C)o3)CC2=O)cc1 ZINC000021089368 524986650 /nfs/dbraw/zinc/98/66/50/524986650.db2.gz KKYUYMSZHWMZBW-QGZVFWFLSA-N 0 0 436.537 4.246 50 0 IIAARN Cc1cc(F)ccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 ZINC000035507623 524987040 /nfs/dbraw/zinc/98/70/40/524987040.db2.gz VLDCSJVASMQXEO-SFHVURJKSA-N 0 0 442.292 4.416 50 0 IIAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCCC1=CCCCC1)c(C)n2C ZINC000035510842 525003635 /nfs/dbraw/zinc/00/36/35/525003635.db2.gz BEVLALZLUSRWMI-UHFFFAOYSA-N 0 0 432.568 4.256 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1Cl ZINC000015943243 525029357 /nfs/dbraw/zinc/02/93/57/525029357.db2.gz XYQMZJRMLYNPRO-UHFFFAOYSA-N 0 0 438.963 4.370 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCCc3ccco3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033115854 525052662 /nfs/dbraw/zinc/05/26/62/525052662.db2.gz OBPBTYPGJMXYEF-UHFFFAOYSA-N 0 0 447.514 4.012 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275006 525054772 /nfs/dbraw/zinc/05/47/72/525054772.db2.gz VJNXUONTDQHFFW-UHFFFAOYSA-N 0 0 443.526 4.377 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884512 525061649 /nfs/dbraw/zinc/06/16/49/525061649.db2.gz YHODGAZTBCZFEX-MRXNPFEDSA-N 0 0 436.458 4.456 50 0 IIAARN Cc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 ZINC000033169910 525065897 /nfs/dbraw/zinc/06/58/97/525065897.db2.gz NEXIFJLKXVDQSD-ZDUSSCGKSA-N 0 0 446.385 4.049 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000012825586 525079619 /nfs/dbraw/zinc/07/96/19/525079619.db2.gz SJAPVJBFLZDFRA-UHFFFAOYSA-N 0 0 432.933 4.134 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c(C)c1 ZINC000012180554 525086013 /nfs/dbraw/zinc/08/60/13/525086013.db2.gz POGSQWQRQAXGCT-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1F ZINC000012180539 525086284 /nfs/dbraw/zinc/08/62/84/525086284.db2.gz XFRSMBNTAWLGEE-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)cc1Cl ZINC000033300115 525106031 /nfs/dbraw/zinc/10/60/31/525106031.db2.gz VMXHGJWYEFCEBW-UHFFFAOYSA-N 0 0 428.876 4.260 50 0 IIAARN C[C@@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000012547905 525124678 /nfs/dbraw/zinc/12/46/78/525124678.db2.gz YRIUHGRRAXFUDI-OAHLLOKOSA-N 0 0 438.944 4.076 50 0 IIAARN C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(-n2ccnc2)cc1 ZINC000012604360 525132254 /nfs/dbraw/zinc/13/22/54/525132254.db2.gz ODQPSGCQCIOVQB-BFUOFWGJSA-N 0 0 426.929 4.206 50 0 IIAARN Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000035531531 525149468 /nfs/dbraw/zinc/14/94/68/525149468.db2.gz NEVLFDXACYSKHT-UHFFFAOYSA-N 0 0 428.598 4.226 50 0 IIAARN Cc1cc(NC(=O)Cn2cnc3c4ccccc4sc3c2=O)ccc1Br ZINC000017011089 525167885 /nfs/dbraw/zinc/16/78/85/525167885.db2.gz DGEQWPSDIBDLRF-UHFFFAOYSA-N 0 0 428.311 4.321 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCc2cccc(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560688 525172598 /nfs/dbraw/zinc/17/25/98/525172598.db2.gz HSGAKRZZFLRHEI-XMMPIXPASA-N 0 0 430.504 4.107 50 0 IIAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 ZINC000015882642 525187916 /nfs/dbraw/zinc/18/79/16/525187916.db2.gz LYNUBOKIIUJLNY-UHFFFAOYSA-N 0 0 425.539 4.172 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 ZINC000021851093 525200143 /nfs/dbraw/zinc/20/01/43/525200143.db2.gz NCXWILVWZKUHEE-RUZDIDTESA-N 0 0 448.592 4.475 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1c1ccc(F)cc1 ZINC000021781068 525201799 /nfs/dbraw/zinc/20/17/99/525201799.db2.gz JFIPCDBWWUHCPQ-RUZDIDTESA-N 0 0 434.515 4.434 50 0 IIAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000021160071 525211845 /nfs/dbraw/zinc/21/18/45/525211845.db2.gz MZHSCKPSJRCZQU-UHFFFAOYSA-N 0 0 439.563 4.321 50 0 IIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1cc2ccccc2o1 ZINC000013128399 525232558 /nfs/dbraw/zinc/23/25/58/525232558.db2.gz KLAASPVQMJENEA-HNNXBMFYSA-N 0 0 440.546 4.464 50 0 IIAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035946678 525241392 /nfs/dbraw/zinc/24/13/92/525241392.db2.gz UHVMSXFRXMJIBD-SFHVURJKSA-N 0 0 439.562 4.268 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791796 525243566 /nfs/dbraw/zinc/24/35/66/525243566.db2.gz VAAUEPQDLWNLSF-QFIPXVFZSA-N 0 0 443.975 4.329 50 0 IIAARN Cc1cc(NC(=O)c2cccs2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000009661277 525253374 /nfs/dbraw/zinc/25/33/74/525253374.db2.gz WZNUOPRXPIECHZ-UHFFFAOYSA-N 0 0 429.509 4.240 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062011 525255081 /nfs/dbraw/zinc/25/50/81/525255081.db2.gz OGRBBBALXPSVFB-XZOQPEGZSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 ZINC000036041740 525257144 /nfs/dbraw/zinc/25/71/44/525257144.db2.gz ODIIWGJLPROJDY-FCHUYYIVSA-N 0 0 428.960 4.367 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000012591610 525267747 /nfs/dbraw/zinc/26/77/47/525267747.db2.gz NZGJSOWDXUZRGE-UHFFFAOYSA-N 0 0 434.970 4.373 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc2c(c1)OCCO2 ZINC000012682106 525335310 /nfs/dbraw/zinc/33/53/10/525335310.db2.gz UFKBJQOJDSBVRE-MWTRTKDXSA-N 0 0 429.472 4.403 50 0 IIAARN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 ZINC000012521280 525343329 /nfs/dbraw/zinc/34/33/29/525343329.db2.gz LVNYDODRFFSJPE-XIKOKIGWSA-N 0 0 443.352 4.092 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(COCC(F)(F)F)cc3)CC2)c(F)c1 ZINC000010257472 534850580 /nfs/dbraw/zinc/85/05/80/534850580.db2.gz RMTGHWDGBGLLSM-UHFFFAOYSA-N 0 0 438.421 4.070 50 0 IIAARN COc1ccc([C@H](NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c2nccn2C)cc1 ZINC000012520254 525369799 /nfs/dbraw/zinc/36/97/99/525369799.db2.gz XWVLTHGAAYGSOU-FQEVSTJZSA-N 0 0 437.569 4.324 50 0 IIAARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4cccs4)nn32)cc1 ZINC000012571209 525384368 /nfs/dbraw/zinc/38/43/68/525384368.db2.gz KQQQPDNCYZJMJF-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 IIAARN C[C@@H]1C[C@H](C)CN(c2cc(SCC(=O)Nc3ccc(Br)cc3)ncn2)C1 ZINC000049006738 525387284 /nfs/dbraw/zinc/38/72/84/525387284.db2.gz VKOAQGKRDGEZOS-OKILXGFUSA-N 0 0 435.391 4.452 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012844821 525409070 /nfs/dbraw/zinc/40/90/70/525409070.db2.gz OMSSBLIMSXGUDQ-GOSISDBHSA-N 0 0 437.565 4.168 50 0 IIAARN Cc1[nH]c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(C)c1C(=O)OC(C)C ZINC000021209450 525412342 /nfs/dbraw/zinc/41/23/42/525412342.db2.gz ORAVNLUCXPRYBQ-UHFFFAOYSA-N 0 0 438.484 4.364 50 0 IIAARN Cc1ccc(OCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)cc1 ZINC000012550510 525422626 /nfs/dbraw/zinc/42/26/26/525422626.db2.gz XPNLNZPBBNXHQK-UHFFFAOYSA-N 0 0 449.507 4.305 50 0 IIAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012361571 525443421 /nfs/dbraw/zinc/44/34/21/525443421.db2.gz ZQGVUDFLXUHWLB-FQEVSTJZSA-N 0 0 447.354 4.053 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000016044633 525494085 /nfs/dbraw/zinc/49/40/85/525494085.db2.gz GGHXZNKRJDWDDI-UHFFFAOYSA-N 0 0 446.532 4.108 50 0 IIAARN COc1ccc2c(c1)C(N1CCN(C(C)=O)[C@@H](C)C1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813286 525509058 /nfs/dbraw/zinc/50/90/58/525509058.db2.gz AJSVKDAXFYHBPO-ZDUSSCGKSA-N 0 0 433.430 4.451 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012785858 525526971 /nfs/dbraw/zinc/52/69/71/525526971.db2.gz XMWUTEQMLUVXHU-GOSISDBHSA-N 0 0 427.353 4.484 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872055 525551920 /nfs/dbraw/zinc/55/19/20/525551920.db2.gz FWRNLBSPUILKEK-AOYPEHQESA-N 0 0 445.538 4.018 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(C)cc4C)sc3C2)cc1 ZINC000021654664 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429.494 4.474 50 0 IIAARN COc1ccccc1-c1cc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c2ccccc2n1 ZINC000000653793 555524071 /nfs/dbraw/zinc/52/40/71/555524071.db2.gz BLBOTYISDQDXKM-QFIPXVFZSA-N 0 0 447.388 4.331 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000654477 555524505 /nfs/dbraw/zinc/52/45/05/555524505.db2.gz QRROZHPFPJTGBN-CQSZACIVSA-N 0 0 437.359 4.265 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000000658013 555525729 /nfs/dbraw/zinc/52/57/29/555525729.db2.gz IMENSPSBBKUNEY-QJOMJCCJSA-N 0 0 444.487 4.282 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000000670233 555530722 /nfs/dbraw/zinc/53/07/22/555530722.db2.gz VGVKOYCVGOYCLN-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000671415 555531285 /nfs/dbraw/zinc/53/12/85/555531285.db2.gz QYERRFPWZFCWTQ-ZDUSSCGKSA-N 0 0 445.368 4.430 50 0 IIAARN COc1cc(OC)c(C(=O)Oc2ccc(Br)cc2Br)cc1OC ZINC000000683152 555538664 /nfs/dbraw/zinc/53/86/64/555538664.db2.gz MERVZVFEHVFYAT-UHFFFAOYSA-N 0 0 446.091 4.457 50 0 IIAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000000684710 555539455 /nfs/dbraw/zinc/53/94/55/555539455.db2.gz RJWYPYSJPLZBRD-NRFANRHFSA-N 0 0 436.493 4.214 50 0 IIAARN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)NC[C@H]1CCCO1 ZINC000000711529 555547464 /nfs/dbraw/zinc/54/74/64/555547464.db2.gz KLAGUGTZTLNHHD-MRXNPFEDSA-N 0 0 433.599 4.202 50 0 IIAARN O=C(N/C(=C/c1cccnc1)C(=O)N1CCCCCC1)c1cccc(Br)c1 ZINC000000715762 555548611 /nfs/dbraw/zinc/54/86/11/555548611.db2.gz TZMFBTKUNYWRFW-CPNJWEJPSA-N 0 0 428.330 4.018 50 0 IIAARN COc1cc(C=O)cc(I)c1OCc1ccccc1Br ZINC000000717117 555548827 /nfs/dbraw/zinc/54/88/27/555548827.db2.gz BYEAACTWRVPLPT-UHFFFAOYSA-N 0 0 447.066 4.454 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3n2)cc1 ZINC000000721024 555550184 /nfs/dbraw/zinc/55/01/84/555550184.db2.gz CWGWHKPOSDEYJM-UHFFFAOYSA-N 0 0 426.398 4.354 50 0 IIAARN 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556160613 /nfs/dbraw/zinc/16/06/13/556160613.db2.gz YIOPSQSJZGTJQG-PNNQTHCFSA-N 0 0 436.552 4.354 50 0 IIAARN CCCOC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 ZINC000008398948 556165062 /nfs/dbraw/zinc/16/50/62/556165062.db2.gz ITZQEPDNIPTLLR-UHFFFAOYSA-N 0 0 440.496 4.178 50 0 IIAARN COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OC(=O)C(C)C ZINC000008399693 556165658 /nfs/dbraw/zinc/16/56/58/556165658.db2.gz JHINMIBRWVBSCM-MHWRWJLKSA-N 0 0 444.281 4.364 50 0 IIAARN O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008442694 556177389 /nfs/dbraw/zinc/17/73/89/556177389.db2.gz INCRWERAVAHWNB-NTCAYCPXSA-N 0 0 425.529 4.415 50 0 aggregator IIAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000008497979 556186877 /nfs/dbraw/zinc/18/68/77/556186877.db2.gz GXPFQRBXPWMUDN-STOISNSZSA-N 0 0 429.903 4.272 50 0 IIAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 ZINC000008591523 556188982 /nfs/dbraw/zinc/18/89/82/556188982.db2.gz 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556244930 /nfs/dbraw/zinc/24/49/30/556244930.db2.gz LVEXCFHSIRBRHF-UHFFFAOYSA-N 0 0 427.564 4.148 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1C1CCCCC1 ZINC000009095723 556246788 /nfs/dbraw/zinc/24/67/88/556246788.db2.gz SKAICEYMNAQJHD-UHFFFAOYSA-N 0 0 427.530 4.486 50 0 IIAARN CCOC(=O)c1ccc(NC(=S)N2CCC([C@H](O)c3ccc(OCC)cc3)CC2)cc1 ZINC000009189860 556252645 /nfs/dbraw/zinc/25/26/45/556252645.db2.gz PMULKLVZAWRJJO-JOCHJYFZSA-N 0 0 442.581 4.404 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009193225 556254107 /nfs/dbraw/zinc/25/41/07/556254107.db2.gz NKILSKPZXMRZGZ-JOCHJYFZSA-N 0 0 440.455 4.341 50 0 IIAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CSc3ccccc3)s2)CC1=O ZINC000009198601 556256427 /nfs/dbraw/zinc/25/64/27/556256427.db2.gz GNRAGKOEUQAWDK-MRXNPFEDSA-N 0 0 438.578 4.352 50 0 IIAARN CCCC[C@H](C(=O)OCCC)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000009202445 556257750 /nfs/dbraw/zinc/25/77/50/556257750.db2.gz FSKALXHCHZICHX-LMDMDPCDSA-N 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CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1C)S2 ZINC000009239145 556265583 /nfs/dbraw/zinc/26/55/83/556265583.db2.gz SONVQVRFJGJKIM-RTBURBONSA-N 0 0 443.960 4.209 50 0 IIAARN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 ZINC000009260485 556268415 /nfs/dbraw/zinc/26/84/15/556268415.db2.gz GCPIXZZNPNZHHZ-UDWIEESQSA-N 0 0 434.423 4.274 50 0 IIAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000009262836 556269770 /nfs/dbraw/zinc/26/97/70/556269770.db2.gz PJYPGOLSBJNQPR-KXUVPBGPSA-N 0 0 436.283 4.307 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)[nH]2)cc1 ZINC000009306161 556276842 /nfs/dbraw/zinc/27/68/42/556276842.db2.gz SYAVNZFNXDJVNF-UHFFFAOYSA-N 0 0 437.550 4.258 50 0 IIAARN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccc1 ZINC000009307397 556277197 /nfs/dbraw/zinc/27/71/97/556277197.db2.gz AKHJDNSYUYSRJR-UHFFFAOYSA-N 0 0 439.285 4.254 50 0 IIAARN COc1ccccc1/C=C/[C@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2S[C@@H](C)C(=O)N21 ZINC000013689704 556278967 /nfs/dbraw/zinc/27/89/67/556278967.db2.gz RAGHRWBEIDMDBK-UMHOCLNPSA-N 0 0 448.544 4.428 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1C[C@H](c1ccco1)N1CCCC1 ZINC000009418910 556289198 /nfs/dbraw/zinc/28/91/98/556289198.db2.gz NTSXTJZIJLFBGY-XXBNENTESA-N 0 0 441.487 4.163 50 0 IIAARN O=S1(=O)C[C@H]2N=C(SCCCc3ccccc3)N(Cc3ccccc3Cl)[C@@H]2C1 ZINC000009419806 556289263 /nfs/dbraw/zinc/28/92/63/556289263.db2.gz HKLUABPLXJLMBF-WOJBJXKFSA-N 0 0 435.014 4.043 50 0 IIAARN O=C(N[C@@H](C(=O)NCc1ccncc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013727605 556293875 /nfs/dbraw/zinc/29/38/75/556293875.db2.gz ADKHDWLYRWGSDF-AREMUKBSSA-N 0 0 435.527 4.387 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccc(Cl)c1 ZINC000009499212 556295391 /nfs/dbraw/zinc/29/53/91/556295391.db2.gz QQUQJDYWELGAGS-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000009525828 556296074 /nfs/dbraw/zinc/29/60/74/556296074.db2.gz DBQIIEDVRMKOFG-UHFFFAOYSA-N 0 0 445.924 4.147 50 0 IIAARN O=S1(=O)C[C@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccc(F)cc3)[C@@H]2C1 ZINC000013733654 556296796 /nfs/dbraw/zinc/29/67/96/556296796.db2.gz WTUGLWQXVRJYLY-IAGOWNOFSA-N 0 0 445.368 4.408 50 0 IIAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000009594423 556301427 /nfs/dbraw/zinc/30/14/27/556301427.db2.gz CXSRRMWVWUBLIP-NRFANRHFSA-N 0 0 432.314 4.065 50 0 IIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000032740715 556301847 /nfs/dbraw/zinc/30/18/47/556301847.db2.gz GWHRJDPGOTXWKU-UHFFFAOYSA-N 0 0 448.470 4.042 50 0 IIAARN Cc1nc2ccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2nc1C ZINC000032741081 556302468 /nfs/dbraw/zinc/30/24/68/556302468.db2.gz CUSJILYKBXZOBX-UHFFFAOYSA-N 0 0 428.458 4.223 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013770341 556304829 /nfs/dbraw/zinc/30/48/29/556304829.db2.gz ZXXBAAIJVVBJMR-DNRSQYFGSA-N 0 0 438.568 4.319 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000009698721 556306935 /nfs/dbraw/zinc/30/69/35/556306935.db2.gz XTEFEBIXAWINFM-GOSISDBHSA-N 0 0 443.503 4.248 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3ncccc3c2=O)cc1 ZINC000009830306 556310717 /nfs/dbraw/zinc/31/07/17/556310717.db2.gz MIWOZINVXRTTSB-UHFFFAOYSA-N 0 0 434.496 4.018 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ncccc3c2=O)cc1 ZINC000009830312 556310726 /nfs/dbraw/zinc/31/07/26/556310726.db2.gz LEQZOEPBPVEFSH-UHFFFAOYSA-N 0 0 444.560 4.496 50 0 IIAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1 ZINC000032752828 556313889 /nfs/dbraw/zinc/31/38/89/556313889.db2.gz ZLMVQKTYUDOWRZ-UHFFFAOYSA-N 0 0 427.551 4.148 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933934 556317310 /nfs/dbraw/zinc/31/73/10/556317310.db2.gz KDMGSNBMMXHJCR-NRFANRHFSA-N 0 0 439.487 4.333 50 0 IIAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759208 556318837 /nfs/dbraw/zinc/31/88/37/556318837.db2.gz TUAZYZDSWDVKGR-CQSZACIVSA-N 0 0 431.945 4.019 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000013847181 556319058 /nfs/dbraw/zinc/31/90/58/556319058.db2.gz POXQRHLXCIUJQG-LJQANCHMSA-N 0 0 440.540 4.159 50 0 IIAARN Cc1cccc(N(CCCC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 ZINC000013847316 556319503 /nfs/dbraw/zinc/31/95/03/556319503.db2.gz SSPOGRRBAOACQG-UHFFFAOYSA-N 0 0 436.577 4.447 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1csc(-c2ccccc2)n1 ZINC000032759611 556319884 /nfs/dbraw/zinc/31/98/84/556319884.db2.gz QQXMTBLMUWIIIK-HSZRJFAPSA-N 0 0 443.576 4.286 50 0 IIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1NS(C)(=O)=O ZINC000032760056 556320123 /nfs/dbraw/zinc/32/01/23/556320123.db2.gz YDQWSVSZNLDKQA-UHFFFAOYSA-N 0 0 427.551 4.231 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccccc4Cl)c3)nn12 ZINC000010010348 556322086 /nfs/dbraw/zinc/32/20/86/556322086.db2.gz HLSQZFNIQMIWTE-UHFFFAOYSA-N 0 0 443.916 4.095 50 0 IIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000032753916 556323132 /nfs/dbraw/zinc/32/31/32/556323132.db2.gz KVNUMBUUHCYTHR-KRWDZBQOSA-N 0 0 426.538 4.441 50 0 IIAARN COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000010058919 556323825 /nfs/dbraw/zinc/32/38/25/556323825.db2.gz VYOPVDHVGSCNSV-UHFFFAOYSA-N 0 0 440.521 4.046 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1OC ZINC000010060517 556324709 /nfs/dbraw/zinc/32/47/09/556324709.db2.gz OKCNNHHTUUCIOP-UHFFFAOYSA-N 0 0 444.487 4.302 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccccc2)cc1 ZINC000013941975 556338827 /nfs/dbraw/zinc/33/88/27/556338827.db2.gz HMITUIQVXFCLLC-UHFFFAOYSA-N 0 0 430.570 4.120 50 0 IIAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000011663759 556344637 /nfs/dbraw/zinc/34/46/37/556344637.db2.gz UAASOARIJLAULT-UHFFFAOYSA-N 0 0 435.524 4.126 50 0 IIAARN CCOc1ccc(NC(=S)N2CCN(C(=S)Nc3ccc(OCC)cc3)CC2)cc1 ZINC000013959961 556347072 /nfs/dbraw/zinc/34/70/72/556347072.db2.gz CJEBVWNAXCVUST-UHFFFAOYSA-N 0 0 444.626 4.195 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000013987080 556352148 /nfs/dbraw/zinc/35/21/48/556352148.db2.gz VNSHQPGSVWWZNH-UHFFFAOYSA-N 0 0 434.565 4.024 50 0 IIAARN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000014009068 556354103 /nfs/dbraw/zinc/35/41/03/556354103.db2.gz ICHNKWSFUDPIKQ-MOSHPQCFSA-N 0 0 440.521 4.467 50 0 IIAARN COC(=O)c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)c1C ZINC000014009865 556354457 /nfs/dbraw/zinc/35/44/57/556354457.db2.gz SMWIEWRIEIREIU-NDENLUEZSA-N 0 0 434.423 4.274 50 0 IIAARN O=C(/C=C/c1cc(F)ccc1F)N1CCC[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 ZINC000011813183 556356388 /nfs/dbraw/zinc/35/63/88/556356388.db2.gz AFXKAICGKVDFCB-CGWZYXLISA-N 0 0 430.520 4.122 50 0 IIAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCc4cnccn4)C3)c2)c1 ZINC000011813760 556357313 /nfs/dbraw/zinc/35/73/13/556357313.db2.gz REBYUCQVHDFYNX-QFIPXVFZSA-N 0 0 428.536 4.262 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000014075557 556361796 /nfs/dbraw/zinc/36/17/96/556361796.db2.gz JYQXJRKCZOLPFO-UHFFFAOYSA-N 0 0 439.556 4.125 50 0 IIAARN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011839991 556364734 /nfs/dbraw/zinc/36/47/34/556364734.db2.gz LDESYPNQGCLJEY-KRWDZBQOSA-N 0 0 446.016 4.115 50 0 IIAARN CC(C)Cc1ccc([C@H](C)NC(=O)Cn2c3ccccc3nc(C(F)(F)F)c2=O)cc1 ZINC000032801707 556365030 /nfs/dbraw/zinc/36/50/30/556365030.db2.gz DPTSNRGHZWIPFM-HNNXBMFYSA-N 0 0 431.458 4.491 50 0 IIAARN Cc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)s1 ZINC000011842500 556365966 /nfs/dbraw/zinc/36/59/66/556365966.db2.gz GJXKZYDDNSSJJD-MRXNPFEDSA-N 0 0 427.599 4.263 50 0 IIAARN O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000014129257 556374546 /nfs/dbraw/zinc/37/45/46/556374546.db2.gz UWGZPBJCLKJJLE-OAQYLSRUSA-N 0 0 441.531 4.070 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000014165749 556379375 /nfs/dbraw/zinc/37/93/75/556379375.db2.gz DAHMIQBFQKQEPE-UHFFFAOYSA-N 0 0 430.570 4.038 50 0 IIAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)CCc2c[nH]c4ccccc24)O3)n1 ZINC000011964609 556381411 /nfs/dbraw/zinc/38/14/11/556381411.db2.gz GFBBKHCWKVOLKQ-NRFANRHFSA-N 0 0 426.520 4.294 50 0 IIAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)o2)cc1 ZINC000014171245 556381598 /nfs/dbraw/zinc/38/15/98/556381598.db2.gz VPCSRNBYWRFKDE-UHFFFAOYSA-N 0 0 430.382 4.277 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3Cc4cccc(-c5ccccn5)c4O3)cc2)n1 ZINC000011974701 556382908 /nfs/dbraw/zinc/38/29/08/556382908.db2.gz TVPZOQIABLJCOX-HSZRJFAPSA-N 0 0 438.531 4.344 50 0 IIAARN O=c1c2c3c(sc2ncn1C[C@H](O)COc1cc(Cl)ccc1Cl)CCCC3 ZINC000014184117 556384034 /nfs/dbraw/zinc/38/40/34/556384034.db2.gz BDZPENZPRVKHRC-LBPRGKRZSA-N 0 0 425.337 4.084 50 0 IIAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)NCc3cccs3)cc12 ZINC000014186060 556385706 /nfs/dbraw/zinc/38/57/06/556385706.db2.gz UHBNAZXNRNESJL-OAHLLOKOSA-N 0 0 439.562 4.378 50 0 IIAARN Cc1nn(-c2nc3ccccc3o2)c(N)c1[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000014187874 556386757 /nfs/dbraw/zinc/38/67/57/556386757.db2.gz DDUPNOBACLOWSC-LJQANCHMSA-N 0 0 445.426 4.312 50 0 IIAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COCc1ccccc1Cl ZINC000014189643 556387377 /nfs/dbraw/zinc/38/73/77/556387377.db2.gz VVJRBHHODAUENO-QGZVFWFLSA-N 0 0 426.925 4.356 50 0 IIAARN CN(CCOc1ccccc1)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000012024293 556387543 /nfs/dbraw/zinc/38/75/43/556387543.db2.gz MANSJWRWHXSEFK-UHFFFAOYSA-N 0 0 433.430 4.149 50 0 IIAARN Cc1ccccc1[C@@]1(CC(=O)N2CCCCCCC2)CC(=O)N(Cc2ccccc2)C1=O ZINC000012041983 556391181 /nfs/dbraw/zinc/39/11/81/556391181.db2.gz KXJXTERVMZUIQQ-HHHXNRCGSA-N 0 0 432.564 4.375 50 0 IIAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000014200807 556391383 /nfs/dbraw/zinc/39/13/83/556391383.db2.gz AWFZUTDKEKPZMN-VWLOTQADSA-N 0 0 442.450 4.066 50 0 IIAARN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000012051557 556392386 /nfs/dbraw/zinc/39/23/86/556392386.db2.gz VAFJZYVAGXXYFP-UHFFFAOYSA-N 0 0 441.568 4.491 50 0 IIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c12 ZINC000014227134 556395056 /nfs/dbraw/zinc/39/50/56/556395056.db2.gz HLFZNHGTXYTMCY-MRXNPFEDSA-N 0 0 430.464 4.282 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000014228736 556396116 /nfs/dbraw/zinc/39/61/16/556396116.db2.gz ZKHHFLPVGOUESK-UHFFFAOYSA-N 0 0 432.476 4.351 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc12 ZINC000014229815 556396670 /nfs/dbraw/zinc/39/66/70/556396670.db2.gz WXICKLLBCXGPBB-UHFFFAOYSA-N 0 0 429.498 4.190 50 0 IIAARN COc1cccc(-n2nc(C)c(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2C)c1 ZINC000014233391 556398830 /nfs/dbraw/zinc/39/88/30/556398830.db2.gz PEUVGYARIDRYJQ-INIZCTEOSA-N 0 0 435.524 4.079 50 0 IIAARN Cc1nc(-c2ccc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)cc2)cs1 ZINC000014237423 556399737 /nfs/dbraw/zinc/39/97/37/556399737.db2.gz PBDMZQPTCIDRFY-XMMPIXPASA-N 0 0 448.548 4.000 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000014239542 556400641 /nfs/dbraw/zinc/40/06/41/556400641.db2.gz GUVWIVAVVDASHT-UHFFFAOYSA-N 0 0 427.397 4.425 50 0 IIAARN Cc1ccc(C(=O)N2CCCSc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000014239917 556400907 /nfs/dbraw/zinc/40/09/07/556400907.db2.gz MARMPTRMZOWKDT-UHFFFAOYSA-N 0 0 430.595 4.312 50 0 IIAARN CCSc1nnc(NC(=O)[C@H](NC(=O)Cc2cccc3ccccc32)C(C)C)s1 ZINC000014240698 556401135 /nfs/dbraw/zinc/40/11/35/556401135.db2.gz YPIOHRRZHJLJMG-GOSISDBHSA-N 0 0 428.583 4.125 50 0 IIAARN Cc1cc(S(=O)(=O)NCc2nc3ccc(Cl)cc3c(N3CCCC3)n2)c(C)s1 ZINC000012131241 556402320 /nfs/dbraw/zinc/40/23/20/556402320.db2.gz XNTHPFHVKDFCBR-UHFFFAOYSA-N 0 0 436.990 4.040 50 0 IIAARN Cc1cccn2cc(CN3CCN(C(=O)[C@H](c4ccccc4)C4CCCC4)CCC3=O)nc12 ZINC000012151232 556402401 /nfs/dbraw/zinc/40/24/01/556402401.db2.gz INGYSZIZFKBAIR-RUZDIDTESA-N 0 0 444.579 4.178 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1Br ZINC000014242196 556402597 /nfs/dbraw/zinc/40/25/97/556402597.db2.gz PADLARLBVFWYJN-UHFFFAOYSA-N 0 0 432.343 4.381 50 0 IIAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)N(C)Cc3sccc3C)c2=O)cc1 ZINC000014242423 556402878 /nfs/dbraw/zinc/40/28/78/556402878.db2.gz CIMMHIVMGAAOCR-UHFFFAOYSA-N 0 0 447.560 4.355 50 0 IIAARN CN(Cc1nc2ccccc2s1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000014245756 556405540 /nfs/dbraw/zinc/40/55/40/556405540.db2.gz FFCITAXLCFAQFR-XMMPIXPASA-N 0 0 430.533 4.306 50 0 IIAARN COc1ccc(OC)c(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578956 556406048 /nfs/dbraw/zinc/40/60/48/556406048.db2.gz AVYQOBITNPVMEW-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000014247205 556407081 /nfs/dbraw/zinc/40/70/81/556407081.db2.gz MLHULPVBZUFKOK-OAHLLOKOSA-N 0 0 434.483 4.147 50 0 IIAARN Cc1ccccc1[C@@H]1CCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)CCS1 ZINC000219295129 556408888 /nfs/dbraw/zinc/40/88/88/556408888.db2.gz ITXHJLYPGPNRLZ-NRFANRHFSA-N 0 0 445.535 4.222 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCC(Cc2ccccc2)CC1 ZINC000014250896 556409006 /nfs/dbraw/zinc/40/90/06/556409006.db2.gz SGMWANFOMULVAG-UHFFFAOYSA-N 0 0 435.593 4.277 50 0 IIAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnnn2CCc2cccs2)cc1 ZINC000014251475 556409061 /nfs/dbraw/zinc/40/90/61/556409061.db2.gz OMKLPWWOJBFSFV-INIZCTEOSA-N 0 0 429.615 4.145 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000032624052 556411152 /nfs/dbraw/zinc/41/11/52/556411152.db2.gz UOBLVURNCAYRDL-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COc1ccc(-c2nc(CN3C(=O)[C@H](C)N(c4ccc(C)cc4)C3=O)cs2)cc1OC ZINC000014264104 556411192 /nfs/dbraw/zinc/41/11/92/556411192.db2.gz YFAPJNRWNWCMJR-HNNXBMFYSA-N 0 0 437.521 4.493 50 0 IIAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc4cc(C)c5ccccc5n43)n2)cc1 ZINC000032671968 556414430 /nfs/dbraw/zinc/41/44/30/556414430.db2.gz OYMWWDIXYYEQBN-UHFFFAOYSA-N 0 0 428.525 4.302 50 0 IIAARN C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(F)c(F)c1 ZINC000012940067 556416478 /nfs/dbraw/zinc/41/64/78/556416478.db2.gz IDEPTBNXGPBPKP-ZDUSSCGKSA-N 0 0 430.524 4.464 50 0 IIAARN CCc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000032838786 556419144 /nfs/dbraw/zinc/41/91/44/556419144.db2.gz MXJDCUOPFDZWHL-UHFFFAOYSA-N 0 0 430.570 4.140 50 0 IIAARN CCCCOC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000012974895 556420937 /nfs/dbraw/zinc/42/09/37/556420937.db2.gz LARPEWSCGOYBPD-UHFFFAOYSA-N 0 0 447.413 4.453 50 0 IIAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000012975825 556421296 /nfs/dbraw/zinc/42/12/96/556421296.db2.gz BPWUXMWFRBVIGL-LJQANCHMSA-N 0 0 427.476 4.418 50 0 IIAARN COc1ccc(CN(C)C(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012976647 556422202 /nfs/dbraw/zinc/42/22/02/556422202.db2.gz PLTWRJSZOWTNPU-UHFFFAOYSA-N 0 0 443.565 4.218 50 0 IIAARN O=C(c1cc2ccccc2o1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 ZINC000014535054 556422756 /nfs/dbraw/zinc/42/27/56/556422756.db2.gz NQCSLSVSOQUNIS-JOCHJYFZSA-N 0 0 447.535 4.030 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(C)=O)CC2 ZINC000012978588 556423085 /nfs/dbraw/zinc/42/30/85/556423085.db2.gz YQSZEVOIBSEGSV-MHZLTWQESA-N 0 0 444.531 4.493 50 0 IIAARN Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000012981021 556424490 /nfs/dbraw/zinc/42/44/90/556424490.db2.gz UHGMCOXLOMIKNW-CQSZACIVSA-N 0 0 448.180 4.076 50 0 IIAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H]3CCCC(C)(C)C3)cnc2n1C[C@@H]1CCCO1 ZINC000014538956 556424613 /nfs/dbraw/zinc/42/46/13/556424613.db2.gz LBMIUBNJPDBRAD-AEFFLSMTSA-N 0 0 442.560 4.341 50 0 IIAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H]3CCCC(C)(C)C3)cnc2n1C[C@@H]1CCCO1 ZINC000014538957 556424633 /nfs/dbraw/zinc/42/46/33/556424633.db2.gz LBMIUBNJPDBRAD-WMZOPIPTSA-N 0 0 442.560 4.341 50 0 IIAARN CCOC(=O)c1sc2ncn(CC(=O)c3cc(C)n(CCC(C)C)c3C)c(=O)c2c1C ZINC000012983034 556425447 /nfs/dbraw/zinc/42/54/47/556425447.db2.gz FNMOXESJICBCCJ-UHFFFAOYSA-N 0 0 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C[C@@H](Cc1ccco1)NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995224 556610472 /nfs/dbraw/zinc/61/04/72/556610472.db2.gz PMIATOLHCFAFQS-ZDUSSCGKSA-N 0 0 432.933 4.107 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1cccnc1 ZINC000016488371 556611810 /nfs/dbraw/zinc/61/18/10/556611810.db2.gz JSACKCISNROKEE-QFIPXVFZSA-N 0 0 427.287 4.396 50 0 IIAARN COC(=O)C1CCN(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000016517164 556613543 /nfs/dbraw/zinc/61/35/43/556613543.db2.gz DSVGLHNQIWCDFA-UHFFFAOYSA-N 0 0 442.575 4.008 50 0 IIAARN CCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)CC(C)C ZINC000033648240 556617685 /nfs/dbraw/zinc/61/76/85/556617685.db2.gz JMUAZBJLGNINEN-UHFFFAOYSA-N 0 0 444.572 4.071 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccc(C)c(NC(C)=O)c2)ccc1=O ZINC000016624581 556618323 /nfs/dbraw/zinc/61/83/23/556618323.db2.gz NKCVFXJKQXZTJV-NRFANRHFSA-N 0 0 438.915 4.420 50 0 IIAARN CSCC[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc2ccccc2[nH]1 ZINC000016645941 556619736 /nfs/dbraw/zinc/61/97/36/556619736.db2.gz CNCIXLPTFNCJFP-INIZCTEOSA-N 0 0 444.944 4.125 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)n2)ccc1C ZINC000016652377 556620956 /nfs/dbraw/zinc/62/09/56/556620956.db2.gz CMMJJOFTLUFSNE-GOSISDBHSA-N 0 0 432.524 4.302 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)ccc1C ZINC000016652305 556620971 /nfs/dbraw/zinc/62/09/71/556620971.db2.gz NPQINWRTOCZOKF-SFHVURJKSA-N 0 0 432.524 4.384 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2cccc(F)c2)cc1 ZINC000036247381 556621716 /nfs/dbraw/zinc/62/17/16/556621716.db2.gz FBZOYQVOTDMFIY-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)c1nc2ccccc2n1C(F)F ZINC000046551053 556622855 /nfs/dbraw/zinc/62/28/55/556622855.db2.gz BQKBVOYZNSEGLL-ZDUSSCGKSA-N 0 0 430.480 4.377 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000016684555 556625150 /nfs/dbraw/zinc/62/51/50/556625150.db2.gz SUSKCUGQZZVWFT-UHFFFAOYSA-N 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CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000409413895 556641103 /nfs/dbraw/zinc/64/11/03/556641103.db2.gz GBUSOKFZVOAPFK-FGZHOGPDSA-N 0 0 434.540 4.164 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780455 556641395 /nfs/dbraw/zinc/64/13/95/556641395.db2.gz BSKXVBWTEQIOTP-UHFFFAOYSA-N 0 0 429.339 4.248 50 0 IIAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000037556617 556644957 /nfs/dbraw/zinc/64/49/57/556644957.db2.gz KMKLCKYSMJMPGI-UHFFFAOYSA-N 0 0 434.561 4.305 50 0 IIAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000016844887 556646589 /nfs/dbraw/zinc/64/65/89/556646589.db2.gz CUAXHGOBQAARFO-UHFFFAOYSA-N 0 0 439.537 4.210 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)S2 ZINC000011726494 556647140 /nfs/dbraw/zinc/64/71/40/556647140.db2.gz RKGIQYNCPCMPKR-SNVBAGLBSA-N 0 0 429.489 4.050 50 0 IIAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(-c4cc(C)ccc4C)c3=O)n2)cc1 ZINC000038487300 556648205 /nfs/dbraw/zinc/64/82/05/556648205.db2.gz YCEBWMUNRDVUBJ-UHFFFAOYSA-N 0 0 438.487 4.176 50 0 IIAARN Cc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000016902982 556648805 /nfs/dbraw/zinc/64/88/05/556648805.db2.gz VYAGGHSMRAPDJO-RBBKRZOGSA-N 0 0 441.531 4.305 50 0 IIAARN C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)[C@@H]2CCCC[C@@H]12 ZINC000032922965 556648971 /nfs/dbraw/zinc/64/89/71/556648971.db2.gz CXWBEBOGJWFBRM-PUZWTLIVSA-N 0 0 444.641 4.003 50 0 IIAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1nc2ccccc2s1 ZINC000011739471 556649490 /nfs/dbraw/zinc/64/94/90/556649490.db2.gz IUAOZVZHIGQWNM-UHFFFAOYSA-N 0 0 427.536 4.131 50 0 IIAARN Cc1sc2nc(C)c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(=O)n2c1C ZINC000011769057 556654176 /nfs/dbraw/zinc/65/41/76/556654176.db2.gz ZBBVQEHZGUGNHE-SNVBAGLBSA-N 0 0 426.325 4.394 50 0 IIAARN CCc1c(C)sc2nc(SC[C@@H](O)c3ccccc3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000011772781 556655015 /nfs/dbraw/zinc/65/50/15/556655015.db2.gz DDAYHVWMDFXSBX-SJLPKXTDSA-N 0 0 430.595 4.334 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1OC ZINC000017095021 556658363 /nfs/dbraw/zinc/65/83/63/556658363.db2.gz XPJOVPLCAKJMGN-UHFFFAOYSA-N 0 0 426.542 4.354 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000011835121 556659377 /nfs/dbraw/zinc/65/93/77/556659377.db2.gz AVQZLRUABZYXCV-UHFFFAOYSA-N 0 0 441.484 4.283 50 0 IIAARN COc1ccccc1CNC(=O)CCc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000011835440 556659658 /nfs/dbraw/zinc/65/96/58/556659658.db2.gz DHKAFQRRIXVTGA-UHFFFAOYSA-N 0 0 429.929 4.306 50 0 IIAARN CS(=O)(=O)Oc1c2ccccc2ccc1-c1ccc2ccccc2c1OS(C)(=O)=O ZINC000043199388 556661070 /nfs/dbraw/zinc/66/10/70/556661070.db2.gz NVLGJUMYNYDMQA-UHFFFAOYSA-N 0 0 442.514 4.337 50 0 IIAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000011852541 556662679 /nfs/dbraw/zinc/66/26/79/556662679.db2.gz LPKFCRLDPRJSBN-UHFFFAOYSA-N 0 0 434.502 4.326 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)c3cccc(F)c3)cc(=O)n21 ZINC000033014360 556664657 /nfs/dbraw/zinc/66/46/57/556664657.db2.gz AOFPZLUDKZIXKC-UHFFFAOYSA-N 0 0 437.500 4.156 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000043726919 556664711 /nfs/dbraw/zinc/66/47/11/556664711.db2.gz TYHWLDHUYDJYAF-LRSLUSHPSA-N 0 0 444.874 4.331 50 0 IIAARN CCCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1csc(C)c1 ZINC000017100702 556665651 /nfs/dbraw/zinc/66/56/51/556665651.db2.gz ATBKMDVQSTVLNE-UHFFFAOYSA-N 0 0 436.584 4.304 50 0 IIAARN COc1cccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3c2cnn3C)c1 ZINC000017148931 556670154 /nfs/dbraw/zinc/67/01/54/556670154.db2.gz SVSDBMHAOIOWDK-UHFFFAOYSA-N 0 0 449.946 4.096 50 0 IIAARN O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000017150056 556670194 /nfs/dbraw/zinc/67/01/94/556670194.db2.gz VVCACAJMACBKAV-ZMIGGIFCSA-N 0 0 436.536 4.024 50 0 IIAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000011965589 556677404 /nfs/dbraw/zinc/67/74/04/556677404.db2.gz VYEBLSXYTFDXCV-OAQYLSRUSA-N 0 0 447.564 4.064 50 0 IIAARN CC[C@H](C)NC(=O)c1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1N1CCCC[C@H]1C ZINC000248263578 556677740 /nfs/dbraw/zinc/67/77/40/556677740.db2.gz XBJNQUOJPYBELK-JKSUJKDBSA-N 0 0 442.560 4.077 50 0 IIAARN CCN1C(=O)COc2ccc(-c3csc(NC(=O)COc4cccc(C)c4C)n3)cc21 ZINC000011972523 556678268 /nfs/dbraw/zinc/67/82/68/556678268.db2.gz WPPQEGJLDBFMHW-UHFFFAOYSA-N 0 0 437.521 4.190 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000017987580 556680933 /nfs/dbraw/zinc/68/09/33/556680933.db2.gz RJIOZXWIVXOWGE-ROUUACIJSA-N 0 0 426.266 4.124 50 0 IIAARN CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cc2cccc(OC)c2o1 ZINC000018201290 556686538 /nfs/dbraw/zinc/68/65/38/556686538.db2.gz BLDWNBQWTYHQJD-UHFFFAOYSA-N 0 0 429.527 4.216 50 0 IIAARN O=C(Nc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(C(F)(F)F)c1)c1ccco1 ZINC000010641023 556686870 /nfs/dbraw/zinc/68/68/70/556686870.db2.gz KOXRVZCXSNIASA-GOSISDBHSA-N 0 0 444.365 4.271 50 0 IIAARN CCc1cc2c(nc(S[C@@H]3CCCCNC3=O)n(CCc3ccccc3)c2=O)s1 ZINC000011120029 556687921 /nfs/dbraw/zinc/68/79/21/556687921.db2.gz KVKPIUGSIIINPI-GOSISDBHSA-N 0 0 427.595 4.024 50 0 IIAARN CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018250461 556688431 /nfs/dbraw/zinc/68/84/31/556688431.db2.gz RQCNVDFMUHOHNL-XMMPIXPASA-N 0 0 448.563 4.230 50 0 IIAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1F ZINC000046006700 556690602 /nfs/dbraw/zinc/69/06/02/556690602.db2.gz HUSAVSXOXWTDIZ-UHFFFAOYSA-N 0 0 432.499 4.434 50 0 IIAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCc1cccnc1 ZINC000046141304 556692713 /nfs/dbraw/zinc/69/27/13/556692713.db2.gz RIRSBIAFYHGYTQ-UHFFFAOYSA-N 0 0 446.941 4.300 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000000781874 556693803 /nfs/dbraw/zinc/69/38/03/556693803.db2.gz YTMGFGDNIFDFJG-HOYKHHGWSA-N 0 0 430.504 4.216 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000137518855 556696918 /nfs/dbraw/zinc/69/69/18/556696918.db2.gz DGJULFFNUSNKAN-RBZQAINGSA-N 0 0 444.487 4.150 50 0 IIAARN Cc1ccc2nc(CSc3ccccc3NS(=O)(=O)c3ccccc3)cc(=O)n2c1 ZINC000033026223 556703280 /nfs/dbraw/zinc/70/32/80/556703280.db2.gz AHBCQIHQUSDAMI-UHFFFAOYSA-N 0 0 437.546 4.096 50 0 IIAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000060334639 556706498 /nfs/dbraw/zinc/70/64/98/556706498.db2.gz ONMZWYUHVBXCKD-CDHQVMDDSA-N 0 0 430.342 4.391 50 0 IIAARN O=c1c2c3c(sc2[nH]c2c1CCCCC2)C(=O)C(Br)(Br)CC3 ZINC000050934995 556710136 /nfs/dbraw/zinc/71/01/36/556710136.db2.gz FXIQCZIGJPJQJO-UHFFFAOYSA-N 0 0 445.176 4.474 50 0 IIAARN COc1ccc(-c2nnc(S[C@@H]3CCCCNC3=O)n2C2CCCCC2)cc1OC ZINC000011122631 556710156 /nfs/dbraw/zinc/71/01/56/556710156.db2.gz UYZDDTAZQLGQIX-LJQANCHMSA-N 0 0 430.574 4.228 50 0 IIAARN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000019218400 556713345 /nfs/dbraw/zinc/71/33/45/556713345.db2.gz AFFKJWVUUSWTRR-UHFFFAOYSA-N 0 0 435.597 4.237 50 0 IIAARN COc1cc(/C=C2/c3ccccc3C(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC ZINC000036646412 556719478 /nfs/dbraw/zinc/71/94/78/556719478.db2.gz BCUPZIFKDUDMJL-JCMHNJIXSA-N 0 0 443.499 4.478 50 0 biogenic,in-vitro IIAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000033037194 556722140 /nfs/dbraw/zinc/72/21/40/556722140.db2.gz NBCIEHBUIVJHTA-QFIPXVFZSA-N 0 0 432.524 4.023 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)cc1 ZINC000072325029 556722996 /nfs/dbraw/zinc/72/29/96/556722996.db2.gz DWLUAXKUGSEILV-ZJSXRUAMSA-N 0 0 448.563 4.043 50 0 biogenic IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C4CCC4)s3)c3ccccc3C(=O)N2C)cc1 ZINC000061720867 556727499 /nfs/dbraw/zinc/72/74/99/556727499.db2.gz VHHVYHPRQBNETH-PMACEKPBSA-N 0 0 448.548 4.363 50 0 IIAARN C[C@H](c1ccncn1)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000055052689 556732739 /nfs/dbraw/zinc/73/27/39/556732739.db2.gz HGCFZFWCUHTDNS-QGZVFWFLSA-N 0 0 440.979 4.377 50 0 IIAARN CCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)cc2)n1CCCc1ccccc1 ZINC000055196793 556737277 /nfs/dbraw/zinc/73/72/77/556737277.db2.gz UGWPRPUJXGKVTH-UHFFFAOYSA-N 0 0 425.598 4.250 50 0 IIAARN O=C(NCCN1CCN(c2ccc(Br)cc2)CC1)Nc1cccc(Cl)c1 ZINC000055551718 556742278 /nfs/dbraw/zinc/74/22/78/556742278.db2.gz FKPUQIOFDNMZQQ-UHFFFAOYSA-N 0 0 437.769 4.046 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045177 556742805 /nfs/dbraw/zinc/74/28/05/556742805.db2.gz QHJXNULBRJVGBK-OAHLLOKOSA-N 0 0 439.972 4.401 50 0 IIAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013854561 556746316 /nfs/dbraw/zinc/74/63/16/556746316.db2.gz AOGPJWWYUCPRJO-UHFFFAOYSA-N 0 0 429.520 4.108 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000072333021 556749355 /nfs/dbraw/zinc/74/93/55/556749355.db2.gz WUPSPWKWOFACSO-MRXNPFEDSA-N 0 0 431.279 4.388 50 0 IIAARN Cc1nnnn1-c1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 ZINC000058015156 556754010 /nfs/dbraw/zinc/75/40/10/556754010.db2.gz ITKZKVLYOVAIBZ-UHFFFAOYSA-N 0 0 443.492 4.052 50 0 IIAARN COC(=O)C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(Br)c1 ZINC000058024377 556754821 /nfs/dbraw/zinc/75/48/21/556754821.db2.gz FBFULEGPGYEYSZ-QGZVFWFLSA-N 0 0 440.721 4.040 50 0 IIAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038486 556754986 /nfs/dbraw/zinc/75/49/86/556754986.db2.gz PEZKOVHEASIWQS-OAQYLSRUSA-N 0 0 427.932 4.033 50 0 IIAARN O=C(c1ccccc1)[C@H]1ON=C(c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000002335303 556760291 /nfs/dbraw/zinc/76/02/91/556760291.db2.gz ZZXZHJGRSYPFRY-GGAORHGYSA-N 0 0 447.288 4.325 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000058154306 556762232 /nfs/dbraw/zinc/76/22/32/556762232.db2.gz AFUABEORXZAAHT-UHFFFAOYSA-N 0 0 425.920 4.026 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O ZINC000005306791 556762825 /nfs/dbraw/zinc/76/28/25/556762825.db2.gz JZVRJXDDCZJEPW-XMMPIXPASA-N 0 0 425.504 4.399 50 0 IIAARN C[C@@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000058161236 556765202 /nfs/dbraw/zinc/76/52/02/556765202.db2.gz ZTVHNYJQXSQFLL-VQIMIIECSA-N 0 0 437.565 4.472 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1 ZINC000058161743 556765340 /nfs/dbraw/zinc/76/53/40/556765340.db2.gz FPCCKBKQKUXHDR-UHFFFAOYSA-N 0 0 437.565 4.422 50 0 IIAARN C[C@@H](NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000058166673 556766727 /nfs/dbraw/zinc/76/67/27/556766727.db2.gz XTNZNPFBUJYAFG-GFCCVEGCSA-N 0 0 447.297 4.344 50 0 IIAARN Cc1c(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)sc2nc(C)nc(C)c12 ZINC000058179689 556770002 /nfs/dbraw/zinc/77/00/02/556770002.db2.gz UVHCVYFCXJUPFZ-UHFFFAOYSA-N 0 0 432.553 4.421 50 0 IIAARN Cc1nc(C)c(-c2nnc(SCCCCCn3nnc(-c4ccccc4)n3)o2)s1 ZINC000058306897 556779366 /nfs/dbraw/zinc/77/93/66/556779366.db2.gz ZJSJPUYEYHTRMP-UHFFFAOYSA-N 0 0 427.559 4.426 50 0 IIAARN COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000011172350 556782039 /nfs/dbraw/zinc/78/20/39/556782039.db2.gz YWYHFSDMSHLHNR-UHFFFAOYSA-N 0 0 442.512 4.101 50 0 IIAARN COC(=O)[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccccc1 ZINC000058378346 556784224 /nfs/dbraw/zinc/78/42/24/556784224.db2.gz YFELSWBAOVDMKJ-OAQYLSRUSA-N 0 0 446.334 4.369 50 0 IIAARN C[C@H]1CN(C(=O)c2ccc(NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C[C@H](C)O1 ZINC000058394148 556785122 /nfs/dbraw/zinc/78/51/22/556785122.db2.gz YIEOPPJPZHNZPH-GJZGRUSLSA-N 0 0 426.904 4.252 50 0 IIAARN Cc1c(Br)c2ccccc2n1CC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000058393573 556785138 /nfs/dbraw/zinc/78/51/38/556785138.db2.gz CKABHOGJMFMXDC-UHFFFAOYSA-N 0 0 442.313 4.303 50 0 IIAARN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000058404483 556785619 /nfs/dbraw/zinc/78/56/19/556785619.db2.gz DNOHPABQECPVLQ-FGZHOGPDSA-N 0 0 443.588 4.249 50 0 IIAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)Nc4nncs4)C3)cc2C1 ZINC000058405557 556785839 /nfs/dbraw/zinc/78/58/39/556785839.db2.gz CILMOBAFJMGDCD-HIFRSBDPSA-N 0 0 432.615 4.242 50 0 IIAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cc2C1 ZINC000058744819 556791384 /nfs/dbraw/zinc/79/13/84/556791384.db2.gz LODKGKIRQHMBNC-MRXNPFEDSA-N 0 0 425.554 4.203 50 0 IIAARN Cc1c(C)c2cc(Cl)c(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2oc1=O ZINC000002091847 556798776 /nfs/dbraw/zinc/79/87/76/556798776.db2.gz BYKZVBPAFQPEIQ-AWEZNQCLSA-N 0 0 429.856 4.284 50 0 biogenic IIAARN O=C(NCCn1ccc2cc(Br)ccc21)C1(c2ccccc2)CCOCC1 ZINC000072401078 556799824 /nfs/dbraw/zinc/79/98/24/556799824.db2.gz QCZMEWCJIOYUBG-UHFFFAOYSA-N 0 0 427.342 4.268 50 0 IIAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)n1 ZINC000072401445 556800683 /nfs/dbraw/zinc/80/06/83/556800683.db2.gz FZFDVLPURBCSID-VQIMIIECSA-N 0 0 425.554 4.121 50 0 IIAARN CCc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005442073 556803308 /nfs/dbraw/zinc/80/33/08/556803308.db2.gz LKMQNGUZHCOTBZ-FQEVSTJZSA-N 0 0 425.550 4.442 50 0 IIAARN CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N(C)C)c1ccccc1 ZINC000003137496 556804615 /nfs/dbraw/zinc/80/46/15/556804615.db2.gz DCARGJLFDFWZQQ-VXPUYCOJSA-N 0 0 430.441 4.140 50 0 IIAARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(I)cc2)cc1 ZINC000003217308 556805418 /nfs/dbraw/zinc/80/54/18/556805418.db2.gz JDTFIKRCBBPFDG-UHFFFAOYSA-N 0 0 437.277 4.384 50 0 IIAARN CCN(Cc1ccccc1)Cn1c2cc(S(=O)(=O)N(CC)CC)ccc2oc1=S ZINC000003224511 556805819 /nfs/dbraw/zinc/80/58/19/556805819.db2.gz UMQXUNAYXPXPAQ-UHFFFAOYSA-N 0 0 433.599 4.474 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057641 556807538 /nfs/dbraw/zinc/80/75/38/556807538.db2.gz UJGNVGJJODVTFN-UHFFFAOYSA-N 0 0 445.262 4.006 50 0 IIAARN CCCN1C(=S)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202776 556810248 /nfs/dbraw/zinc/81/02/48/556810248.db2.gz KQRKJWJXESHHIP-KRWDZBQOSA-N 0 0 449.920 4.099 50 0 IIAARN CCC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000003575961 556817671 /nfs/dbraw/zinc/81/76/71/556817671.db2.gz XNFOTNFMVWUESH-MRXNPFEDSA-N 0 0 436.508 4.381 50 0 IIAARN Cc1ccc(-n2ccn3c(CCCC(=O)Nc4cccc(Cl)c4)nnc3c2=O)cc1C ZINC000064591434 556825164 /nfs/dbraw/zinc/82/51/64/556825164.db2.gz XATVECGVHKGKRS-UHFFFAOYSA-N 0 0 435.915 4.112 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000064662147 556826207 /nfs/dbraw/zinc/82/62/07/556826207.db2.gz CNUJGWNSYOOGCG-HSZRJFAPSA-N 0 0 425.529 4.315 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000064662152 556826239 /nfs/dbraw/zinc/82/62/39/556826239.db2.gz CNUJGWNSYOOGCG-QHCPKHFHSA-N 0 0 425.529 4.315 50 0 IIAARN CCCC(CCC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(Cl)cc3)nn2C)C1 ZINC000064893134 556828220 /nfs/dbraw/zinc/82/82/20/556828220.db2.gz BDVJCUYVESYKEI-UHFFFAOYSA-N 0 0 430.980 4.105 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064894499 556828824 /nfs/dbraw/zinc/82/88/24/556828824.db2.gz XPPGPUALWONYBF-UHFFFAOYSA-N 0 0 430.460 4.380 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c(C)c1 ZINC000065003616 556831728 /nfs/dbraw/zinc/83/17/28/556831728.db2.gz GOHUAALIGQKNIH-IBGZPJMESA-N 0 0 434.561 4.373 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c(Cl)c1 ZINC000065361872 556834068 /nfs/dbraw/zinc/83/40/68/556834068.db2.gz UPJSDHLLEUMXPM-UHFFFAOYSA-N 0 0 437.935 4.240 50 0 IIAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3nc4ccccc4[nH]3)c3ccccc3)ccc12 ZINC000334160449 556836799 /nfs/dbraw/zinc/83/67/99/556836799.db2.gz FAEFDQMVUUWGMA-RUZDIDTESA-N 0 0 439.471 4.262 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)Cc1ccc(OC)cc1 ZINC000019641253 556837457 /nfs/dbraw/zinc/83/74/57/556837457.db2.gz YRBPFLMYIKJQSV-UHFFFAOYSA-N 0 0 444.553 4.095 50 0 IIAARN CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc21 ZINC000022997385 556839389 /nfs/dbraw/zinc/83/93/89/556839389.db2.gz IHNSFMCEFJOTNQ-UHFFFAOYSA-N 0 0 443.544 4.203 50 0 IIAARN COc1cc2c(cc(C(=O)Nc3cccnc3Oc3ccc4c(c3)OCO4)n2C)c(OC)c1 ZINC000072405084 556839530 /nfs/dbraw/zinc/83/95/30/556839530.db2.gz BBFZNSXVJYPKMZ-UHFFFAOYSA-N 0 0 447.447 4.364 50 0 IIAARN C[C@H](O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000019646537 556840538 /nfs/dbraw/zinc/84/05/38/556840538.db2.gz GCPQYARQNKYWGT-BBWFWOEESA-N 0 0 447.626 4.215 50 0 IIAARN O=C(c1ccc2ncsc2c1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998541 556841065 /nfs/dbraw/zinc/84/10/65/556841065.db2.gz ZOWYBALSNSXYNY-UHFFFAOYSA-N 0 0 442.541 4.024 50 0 IIAARN CCOc1ccc(CCNC(=S)Nc2sc3c(c2C(=O)OC)CCC3)cc1OCC ZINC000019648017 556841101 /nfs/dbraw/zinc/84/11/01/556841101.db2.gz BATCQPLETSTZFH-UHFFFAOYSA-N 0 0 448.610 4.350 50 0 IIAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1Cl ZINC000011213170 556842718 /nfs/dbraw/zinc/84/27/18/556842718.db2.gz UGQQRRHLGFWKHX-AWEZNQCLSA-N 0 0 441.881 4.276 50 0 IIAARN Cc1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[nH]c1Cc1ccccc1 ZINC000008709817 556842937 /nfs/dbraw/zinc/84/29/37/556842937.db2.gz ZHAQDSMOEMMKNB-UHFFFAOYSA-N 0 0 440.594 4.079 50 0 IIAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1ccccc1-c1ccccc1 ZINC000008719394 556843207 /nfs/dbraw/zinc/84/32/07/556843207.db2.gz ISUCCCDDKIZDLJ-HHHXNRCGSA-N 0 0 439.515 4.466 50 0 IIAARN C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000096845430 556847638 /nfs/dbraw/zinc/84/76/38/556847638.db2.gz MSGQFPIDONKFRF-SNVBAGLBSA-N 0 0 435.760 4.340 50 0 IIAARN C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000096845429 556847719 /nfs/dbraw/zinc/84/77/19/556847719.db2.gz MSGQFPIDONKFRF-JTQLQIEISA-N 0 0 435.760 4.340 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000068713094 556849450 /nfs/dbraw/zinc/84/94/50/556849450.db2.gz HRQGLXMAEUPBRT-VWLOTQADSA-N 0 0 449.890 4.119 50 0 IIAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071374 556851940 /nfs/dbraw/zinc/85/19/40/556851940.db2.gz BNTLSWVOCNLKJK-INIZCTEOSA-N 0 0 427.346 4.167 50 0 IIAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(CCOC)c2=O ZINC000033076922 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432.524 4.119 50 0 IIAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033139651 556874623 /nfs/dbraw/zinc/87/46/23/556874623.db2.gz NJNAWXGXDRNUML-UHFFFAOYSA-N 0 0 431.536 4.294 50 0 IIAARN O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000033140218 556875714 /nfs/dbraw/zinc/87/57/14/556875714.db2.gz GKCPXYNOPBQCTG-UHFFFAOYSA-N 0 0 443.569 4.222 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033141789 556878230 /nfs/dbraw/zinc/87/82/30/556878230.db2.gz FFTLJQYYNFNQDX-UHFFFAOYSA-N 0 0 444.534 4.002 50 0 IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(F)cc3F)c2cc1OC ZINC000033172764 556883055 /nfs/dbraw/zinc/88/30/55/556883055.db2.gz FFEMWRPRLAKSQB-UHFFFAOYSA-N 0 0 430.436 4.137 50 0 IIAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)c1 ZINC000033174466 556884293 /nfs/dbraw/zinc/88/42/93/556884293.db2.gz MDEYRRRZICDYBO-UHFFFAOYSA-N 0 0 444.438 4.486 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)nc2cccnc21 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Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3Cl)c3ccc(F)cc3)cn12 ZINC000049408541 557103363 /nfs/dbraw/zinc/10/33/63/557103363.db2.gz DCEWGCCBIGCZOG-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN CC[C@H](C(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1)c1ccccc1 ZINC000585147522 557104867 /nfs/dbraw/zinc/10/48/67/557104867.db2.gz CJOBRMFAZMSTBX-QHCPKHFHSA-N 0 0 433.527 4.482 50 0 IIAARN O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)Nc1ccc(F)cc1F ZINC000049409944 557105239 /nfs/dbraw/zinc/10/52/39/557105239.db2.gz XRVHUXCXZKEACD-UHFFFAOYSA-N 0 0 430.461 4.012 50 0 IIAARN CSc1cccc(N2C(=O)N(Cc3ccccc3F)S(=O)(=O)c3cccnc32)c1 ZINC000049420943 557107440 /nfs/dbraw/zinc/10/74/40/557107440.db2.gz WXBYIUMVUSNGEC-UHFFFAOYSA-N 0 0 429.498 4.405 50 0 IIAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)NCc4ccco4)CC2)nc3=O)c1 ZINC000049421385 557108070 /nfs/dbraw/zinc/10/80/70/557108070.db2.gz FRYPJRJXDFVLPJ-UHFFFAOYSA-N 0 0 448.548 4.086 50 0 IIAARN COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)c3c2sc(=O)n3C)cc1OC ZINC000049544518 557110924 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445.487 4.318 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1c(F)cccc1F)CC2 ZINC000023863874 557121007 /nfs/dbraw/zinc/12/10/07/557121007.db2.gz BUYCLWIWQGYACV-QFIPXVFZSA-N 0 0 445.487 4.318 50 0 IIAARN COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000098086302 557122031 /nfs/dbraw/zinc/12/20/31/557122031.db2.gz VTBVJLNEWKZBQB-GIJQJNRQSA-N 0 0 446.912 4.341 50 0 IIAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000000627914 557122305 /nfs/dbraw/zinc/12/23/05/557122305.db2.gz BVTCJUGRWRCLKU-CYBMUJFWSA-N 0 0 441.867 4.155 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000023883435 557123750 /nfs/dbraw/zinc/12/37/50/557123750.db2.gz WDPJJLNBXQZAJY-VWLOTQADSA-N 0 0 433.527 4.128 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000000647225 557124578 /nfs/dbraw/zinc/12/45/78/557124578.db2.gz KVKUHORDIPPNRA-RTBURBONSA-N 0 0 446.477 4.166 50 0 IIAARN CCCCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004799249 557127132 /nfs/dbraw/zinc/12/71/32/557127132.db2.gz LFXXMHKPRDZNOM-PKTZIBPZSA-N 0 0 442.531 4.402 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000023957031 557128028 /nfs/dbraw/zinc/12/80/28/557128028.db2.gz HJENYIYBHAUNOH-QHCPKHFHSA-N 0 0 433.533 4.150 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1c3ccc(C)cc3C(=O)C1=O)CC2 ZINC000023967832 557128373 /nfs/dbraw/zinc/12/83/73/557128373.db2.gz LFKRCDXJHDEJSM-VWLOTQADSA-N 0 0 442.515 4.147 50 0 IIAARN COc1cc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc(OC)c1OC ZINC000000661171 557130901 /nfs/dbraw/zinc/13/09/01/557130901.db2.gz SQHJDAVFCVMSCG-UHFFFAOYSA-N 0 0 436.493 4.219 50 0 IIAARN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725241115 557133663 /nfs/dbraw/zinc/13/36/63/557133663.db2.gz XXTJGHQEWVWSBD-XMMPIXPASA-N 0 0 430.504 4.110 50 0 IIAARN COc1ccccc1-n1c(SCc2noc(-c3ccco3)n2)nnc1N1CCCCC1 ZINC000024047788 557133889 /nfs/dbraw/zinc/13/38/89/557133889.db2.gz MNJCDVCKZBHPLU-UHFFFAOYSA-N 0 0 438.513 4.202 50 0 IIAARN O=C(COC(=O)c1c2c(sc1NC(=O)c1ccco1)CCC2)NC1CCCCCCC1 ZINC000010936829 557134220 /nfs/dbraw/zinc/13/42/20/557134220.db2.gz HGQUWKCVAGTUNC-UHFFFAOYSA-N 0 0 444.553 4.468 50 0 IIAARN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000000678651 557134638 /nfs/dbraw/zinc/13/46/38/557134638.db2.gz GBRSDNGLOCZSPS-UHFFFAOYSA-N 0 0 445.216 4.483 50 0 IIAARN COc1cc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2ccccc2)cc(OC)c1OC ZINC000000689427 557136137 /nfs/dbraw/zinc/13/61/37/557136137.db2.gz AFRYEDBXMSNZDI-XMHGGMMESA-N 0 0 436.464 4.023 50 0 IIAARN CCc1ccc(Nc2nnc(SC[C@H](O)COCc3ccc4c(c3)OCO4)s2)cc1 ZINC000024096746 557137090 /nfs/dbraw/zinc/13/70/90/557137090.db2.gz XQSROMFVABBJHS-QGZVFWFLSA-N 0 0 445.566 4.243 50 0 IIAARN Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c12 ZINC000024109017 557137597 /nfs/dbraw/zinc/13/75/97/557137597.db2.gz IOPZBWYDRJIPJI-CQSZACIVSA-N 0 0 433.508 4.322 50 0 IIAARN O=C(c1cc(Br)ccc1O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024154123 557138912 /nfs/dbraw/zinc/13/89/12/557138912.db2.gz FERRQXSPFYSOII-UHFFFAOYSA-N 0 0 429.236 4.136 50 0 IIAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000024191128 557140093 /nfs/dbraw/zinc/14/00/93/557140093.db2.gz QHDXBWJPIUDPLD-UHFFFAOYSA-N 0 0 435.955 4.422 50 0 IIAARN O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br)N1CCCC1 ZINC000000707195 557140313 /nfs/dbraw/zinc/14/03/13/557140313.db2.gz ZQYCADCDASGCSX-UHFFFAOYSA-N 0 0 429.196 4.007 50 0 IIAARN O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br)N1CCCCC1 ZINC000000707199 557140363 /nfs/dbraw/zinc/14/03/63/557140363.db2.gz KZQKGTMCIHZZJZ-UHFFFAOYSA-N 0 0 443.223 4.397 50 0 IIAARN O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(F)cc1 ZINC000000707560 557140626 /nfs/dbraw/zinc/14/06/26/557140626.db2.gz GKBCSMSSPUOZBY-INIZCTEOSA-N 0 0 431.183 4.198 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000024354200 557145017 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C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610499 557154891 /nfs/dbraw/zinc/15/48/91/557154891.db2.gz IPZAJSFNRVJCJK-SFHVURJKSA-N 0 0 449.016 4.019 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000095483118 557157442 /nfs/dbraw/zinc/15/74/42/557157442.db2.gz GWDYMXIQIXUHKC-HDICACEKSA-N 0 0 428.282 4.348 50 0 IIAARN O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000095483171 557157549 /nfs/dbraw/zinc/15/75/49/557157549.db2.gz QZFUVBQRVIYKQD-SFHVURJKSA-N 0 0 438.742 4.101 50 0 IIAARN Cn1nc(CC(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)c2ccccc2c1=O ZINC000024659079 557157645 /nfs/dbraw/zinc/15/76/45/557157645.db2.gz FGRBVOBJNAVKCT-VWLOTQADSA-N 0 0 443.572 4.322 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000024663233 557157947 /nfs/dbraw/zinc/15/79/47/557157947.db2.gz DTMFNBGUXDOGMP-QGZVFWFLSA-N 0 0 428.485 4.082 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000024759892 557163941 /nfs/dbraw/zinc/16/39/41/557163941.db2.gz ZPXMQBLPHUVTBJ-OAQYLSRUSA-N 0 0 440.496 4.189 50 0 IIAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(-c2cccs2)cc1 ZINC000206799676 557164024 /nfs/dbraw/zinc/16/40/24/557164024.db2.gz RFWGISRPVFWYLR-IEBWSBKVSA-N 0 0 425.481 4.389 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)Nc3ccccc3-c3cn4ccccc4n3)CC2=O)c1 ZINC000206899037 557165631 /nfs/dbraw/zinc/16/56/31/557165631.db2.gz APZIHPAHDHAOIA-QGZVFWFLSA-N 0 0 426.476 4.002 50 0 IIAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3-c3cn4ccccc4n3)CC2=O)c1 ZINC000206899080 557165709 /nfs/dbraw/zinc/16/57/09/557165709.db2.gz APZIHPAHDHAOIA-KRWDZBQOSA-N 0 0 426.476 4.002 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-c2cccs2)ccc1=O ZINC000206899468 557165752 /nfs/dbraw/zinc/16/57/52/557165752.db2.gz HNSIIBKQAAHFDJ-INIZCTEOSA-N 0 0 441.516 4.486 50 0 IIAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000206839278 557165974 /nfs/dbraw/zinc/16/59/74/557165974.db2.gz ZCAZMSAFAUVULD-HXUWFJFHSA-N 0 0 439.471 4.206 50 0 IIAARN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807736 557168327 /nfs/dbraw/zinc/16/83/27/557168327.db2.gz RLGZGEDOEGYGRA-UONOGXRCSA-N 0 0 447.366 4.469 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1 ZINC000207017354 557170696 /nfs/dbraw/zinc/17/06/96/557170696.db2.gz OXGYLQFSRLAFLW-QGZVFWFLSA-N 0 0 426.542 4.014 50 0 IIAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000024840241 557173236 /nfs/dbraw/zinc/17/32/36/557173236.db2.gz BEMGWKOCWGXDAE-FQEVSTJZSA-N 0 0 449.532 4.026 50 0 IIAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000000778202 557173939 /nfs/dbraw/zinc/17/39/39/557173939.db2.gz XZFDKRROENLXCF-OAQYLSRUSA-N 0 0 439.537 4.210 50 0 IIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024912360 557178820 /nfs/dbraw/zinc/17/88/20/557178820.db2.gz RFYJGJFFAADUOU-UHFFFAOYSA-N 0 0 443.429 4.128 50 0 IIAARN COc1ccc(N(C(C)=O)c2nc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)cs2)cc1 ZINC000097987481 557183856 /nfs/dbraw/zinc/18/38/56/557183856.db2.gz VDXIVPFNGIUOHG-UDWIEESQSA-N 0 0 433.489 4.489 50 0 IIAARN CC(C)n1c(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)nc2ccccc2c1=O ZINC000024971528 557183960 /nfs/dbraw/zinc/18/39/60/557183960.db2.gz XDSCCCXEDQRQMY-CQSZACIVSA-N 0 0 433.541 4.342 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1OC ZINC000009303000 557185718 /nfs/dbraw/zinc/18/57/18/557185718.db2.gz HJMVIYGPVRQZRV-UHFFFAOYSA-N 0 0 427.526 4.003 50 0 IIAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009327774 557186721 /nfs/dbraw/zinc/18/67/21/557186721.db2.gz GJXVCVDCDJXRRI-UHFFFAOYSA-N 0 0 442.972 4.207 50 0 IIAARN Cn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009328980 557187190 /nfs/dbraw/zinc/18/71/90/557187190.db2.gz LXKRDHQUPUGKIJ-UHFFFAOYSA-N 0 0 432.908 4.154 50 0 IIAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 ZINC000009328976 557187204 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IIAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCCCCCC4)C3=O)cc2)cc1 ZINC000025054013 557191793 /nfs/dbraw/zinc/19/17/93/557191793.db2.gz FTXPDOVDJLFQMG-UHFFFAOYSA-N 0 0 435.524 4.482 50 0 IIAARN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025063483 557193652 /nfs/dbraw/zinc/19/36/52/557193652.db2.gz MQQFXKTXOLNCET-NRFANRHFSA-N 0 0 442.563 4.130 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(N4C(=O)c5ccccc5C4=O)nn32)cc1 ZINC000100865617 557194773 /nfs/dbraw/zinc/19/47/73/557194773.db2.gz ATYJEOIZKDZUDH-QFIPXVFZSA-N 0 0 433.471 4.443 50 0 IIAARN CCOCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100873685 557196456 /nfs/dbraw/zinc/19/64/56/557196456.db2.gz MBSBCWNMCNQKNM-FLFQWRMESA-N 0 0 440.550 4.049 50 0 IIAARN O=C1c2ccccc2C(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000100910340 557200051 /nfs/dbraw/zinc/20/00/51/557200051.db2.gz CHAOPNIOZFNSAH-OAQYLSRUSA-N 0 0 437.434 4.274 50 0 IIAARN FC(F)Sc1ccc(NC(=S)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000025325903 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O=c1[nH]c(CCCN2C(=O)c3cccc4cccc(c43)C2=O)nc2sc3c(c21)CCCC3 ZINC000011617357 557213028 /nfs/dbraw/zinc/21/30/28/557213028.db2.gz INHOTBVBSSBNTF-UHFFFAOYSA-N 0 0 443.528 4.245 50 0 IIAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529052 557213109 /nfs/dbraw/zinc/21/31/09/557213109.db2.gz PONYVBWHTDHQKW-UHFFFAOYSA-N 0 0 438.462 4.205 50 0 IIAARN Cc1ccc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1 ZINC000025597902 557218411 /nfs/dbraw/zinc/21/84/11/557218411.db2.gz ZIGJTOOTQGPTIL-UHFFFAOYSA-N 0 0 440.540 4.444 50 0 IIAARN Cc1c2ccccc2sc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000025779488 557225834 /nfs/dbraw/zinc/22/58/34/557225834.db2.gz AHTUBNACBGOWGW-UHFFFAOYSA-N 0 0 428.579 4.055 50 0 IIAARN C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000011027848 557226679 /nfs/dbraw/zinc/22/66/79/557226679.db2.gz ZJXWQHVKEOIXPV-LLVKDONJSA-N 0 0 432.299 4.152 50 0 IIAARN O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000806071 557227867 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557245827 /nfs/dbraw/zinc/24/58/27/557245827.db2.gz JZMJLIKVSBOSGL-ZDUSSCGKSA-N 0 0 433.584 4.485 50 0 IIAARN CC(C)CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000018190761 557246417 /nfs/dbraw/zinc/24/64/17/557246417.db2.gz CWYXSIVZMSBWNH-UHFFFAOYSA-N 0 0 448.894 4.326 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952086 557247121 /nfs/dbraw/zinc/24/71/21/557247121.db2.gz PJBWNLGSGFTPGB-UHFFFAOYSA-N 0 0 441.516 4.020 50 0 IIAARN CSCC[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1nc2ccccc2[nH]1 ZINC000026755337 557247396 /nfs/dbraw/zinc/24/73/96/557247396.db2.gz KKZYMEHLWFHCOI-HNNXBMFYSA-N 0 0 427.555 4.218 50 0 IIAARN COc1ccc(NC(=O)c2ccc(Nc3nn4c(nc5ccccc5c4=O)s3)cc2)cc1 ZINC000032952125 557248234 /nfs/dbraw/zinc/24/82/34/557248234.db2.gz YOPMVAVYAIYLEE-UHFFFAOYSA-N 0 0 443.488 4.309 50 0 IIAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc(=S)n1-c1ccc(F)c(Cl)c1 ZINC000032952416 557249480 /nfs/dbraw/zinc/24/94/80/557249480.db2.gz ALCQZEDQYSJZTH-UHFFFAOYSA-N 0 0 437.905 4.302 50 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568650706 /nfs/dbraw/zinc/65/07/06/568650706.db2.gz VNJVUZDMZOCQHA-UJFYRASASA-N 0 0 427.906 4.125 50 0 IIAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000052537457 568658865 /nfs/dbraw/zinc/65/88/65/568658865.db2.gz LXJAZFZFNUSXLV-UHFFFAOYSA-N 0 0 431.380 4.485 50 0 IIAARN Nc1c(Br)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1Br ZINC000001099239 568659112 /nfs/dbraw/zinc/65/91/12/568659112.db2.gz GCKDQCKVSKAXBZ-UHFFFAOYSA-N 0 0 447.510 4.487 50 0 IIAARN O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001165084 568664681 /nfs/dbraw/zinc/66/46/81/568664681.db2.gz DNTDGOJPLBAOJC-UHFFFAOYSA-N 0 0 428.396 4.052 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 ZINC000005929108 568738636 /nfs/dbraw/zinc/73/86/36/568738636.db2.gz NDZFZVWQGJRDRW-UHFFFAOYSA-N 0 0 428.535 4.175 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000025614047 568739758 /nfs/dbraw/zinc/73/97/58/568739758.db2.gz WNMTUANJDSWQEG-LJQANCHMSA-N 0 0 428.554 4.048 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2nn(C)c(=O)c3ccccc32)c2ccccc2)c1 ZINC000003286388 568744982 /nfs/dbraw/zinc/74/49/82/568744982.db2.gz HOCKSMPMABLIGP-HSZRJFAPSA-N 0 0 441.487 4.087 50 0 IIAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1Br ZINC000043990434 568745165 /nfs/dbraw/zinc/74/51/65/568745165.db2.gz PEXFYQAVIAONAK-UHFFFAOYSA-N 0 0 441.325 4.478 50 0 IIAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000044224974 568750041 /nfs/dbraw/zinc/75/00/41/568750041.db2.gz WAUVRBKIDPPVEM-UHFFFAOYSA-N 0 0 442.924 4.395 50 0 IIAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Br)cc1 ZINC000003483813 568750189 /nfs/dbraw/zinc/75/01/89/568750189.db2.gz RSZYBTCJEYNVHY-UHFFFAOYSA-N 0 0 428.238 4.334 50 0 IIAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)nc1C ZINC000003643243 568752388 /nfs/dbraw/zinc/75/23/88/568752388.db2.gz OGZAMDCEQBBWBF-QGZVFWFLSA-N 0 0 432.457 4.094 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OCC ZINC000003655712 568753328 /nfs/dbraw/zinc/75/33/28/568753328.db2.gz LKAVOPQNUNVYLZ-LJQANCHMSA-N 0 0 449.488 4.192 50 0 IIAARN COc1ccccc1N1C(=S)N[C@@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000012586796 568753591 /nfs/dbraw/zinc/75/35/91/568753591.db2.gz YSFNSDRJRZXMII-NRFANRHFSA-N 0 0 434.521 4.340 50 0 IIAARN CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)NC1=S ZINC000003662891 568753893 /nfs/dbraw/zinc/75/38/93/568753893.db2.gz YBWKZGOAWXTRBC-ATVHPVEESA-N 0 0 431.355 4.496 50 0 IIAARN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000003765126 568754466 /nfs/dbraw/zinc/75/44/66/568754466.db2.gz DIMZKRMDSYKNJQ-DEOSSOPVSA-N 0 0 443.547 4.148 50 0 IIAARN COC(=O)c1sc2nc(CN(C)Cc3ccno3)ccc2c1NC(=O)C1CCCCC1 ZINC000299759139 568755651 /nfs/dbraw/zinc/75/56/51/568755651.db2.gz PBEONDWKJOHILD-UHFFFAOYSA-N 0 0 442.541 4.222 50 0 IIAARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)cc2c1 ZINC000263584812 568758711 /nfs/dbraw/zinc/75/87/11/568758711.db2.gz BAFRHWJIXRFVAH-QGZVFWFLSA-N 0 0 443.455 4.294 50 0 biogenic IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586607 568759337 /nfs/dbraw/zinc/75/93/37/568759337.db2.gz WCXFKGDURMAUPL-HSZRJFAPSA-N 0 0 443.503 4.194 50 0 biogenic IIAARN COc1ccc2occ([C@H]3CC(=O)Oc4c5c6c(c(=O)oc5cc(C)c43)CCC6)c(=O)c2c1 ZINC000263586896 568759901 /nfs/dbraw/zinc/75/99/01/568759901.db2.gz ZIXRDYGUZYWEQU-MRXNPFEDSA-N 0 0 444.439 4.146 50 0 biogenic IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCCC[C@H]1c1nc2ccccc2n1C ZINC000263588094 568761065 /nfs/dbraw/zinc/76/10/65/568761065.db2.gz OZPRHGYRMFNCQZ-QHCPKHFHSA-N 0 0 446.551 4.307 50 0 IIAARN Cc1cc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)ccc1Br ZINC000263616550 568776783 /nfs/dbraw/zinc/77/67/83/568776783.db2.gz JKCBIBPDRAFVGU-QGZVFWFLSA-N 0 0 431.265 4.012 50 0 IIAARN O=c1c2cc(-c3cccc(Br)c3)nn2ccn1C[C@@H](O)c1ccc(Cl)cc1 ZINC000263617664 568777218 /nfs/dbraw/zinc/77/72/18/568777218.db2.gz OXQIWMXDOHPFGD-LJQANCHMSA-N 0 0 444.716 4.313 50 0 IIAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(Cc5ccccc5)CC4)c3CO2)cc1 ZINC000263618711 568777684 /nfs/dbraw/zinc/77/76/84/568777684.db2.gz VCBUIQADOKGCFC-XMMPIXPASA-N 0 0 431.536 4.258 50 0 IIAARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2ncnn21 ZINC000001291750 568778587 /nfs/dbraw/zinc/77/85/87/568778587.db2.gz RLJWEFDDTOMQPQ-GOSISDBHSA-N 0 0 447.333 4.214 50 0 IIAARN O=C1Nc2ccc(F)cc2[C@@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032100571 568780616 /nfs/dbraw/zinc/78/06/16/568780616.db2.gz UBHZUNSGNMNRAL-LJQANCHMSA-N 0 0 432.333 4.140 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000032106587 568781204 /nfs/dbraw/zinc/78/12/04/568781204.db2.gz GIOVBWOARQBJJO-SFHVURJKSA-N 0 0 440.887 4.051 50 0 IIAARN CN1c2cccc(Cl)c2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032106700 568781304 /nfs/dbraw/zinc/78/13/04/568781304.db2.gz MLTFYRQEPGRGLH-NRFANRHFSA-N 0 0 427.291 4.492 50 0 IIAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000001383611 568784166 /nfs/dbraw/zinc/78/41/66/568784166.db2.gz UBDYPHSDRTXQEF-UHFFFAOYSA-N 0 0 448.466 4.217 50 0 IIAARN CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCC2)cc1S(=O)(=O)N1CCCC1 ZINC000025842369 568784970 /nfs/dbraw/zinc/78/49/70/568784970.db2.gz TYFFMJNQPDIWOF-UHFFFAOYSA-N 0 0 442.581 4.239 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnn3-c3cccc(C(F)(F)F)c3)C(=O)N1CC2 ZINC000001390418 568785105 /nfs/dbraw/zinc/78/51/05/568785105.db2.gz UZJAENOYZMOTIK-GOSISDBHSA-N 0 0 443.425 4.204 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001401340 568786345 /nfs/dbraw/zinc/78/63/45/568786345.db2.gz YVTSYSRRPZKUPN-MRXNPFEDSA-N 0 0 432.851 4.151 50 0 IIAARN COC(=O)C[C@@H](c1ccc(OC(=O)c2ccc(C)cc2)cc1)N1Cc2ccccc2C1=O ZINC000001404086 568786834 /nfs/dbraw/zinc/78/68/34/568786834.db2.gz ZRKAOJUCXILWJQ-QHCPKHFHSA-N 0 0 429.472 4.474 50 0 IIAARN CCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002756401 568789166 /nfs/dbraw/zinc/78/91/66/568789166.db2.gz IVKSOOHGRHPXKY-ZIAGYGMSSA-N 0 0 431.256 4.446 50 0 IIAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000002803749 568789450 /nfs/dbraw/zinc/78/94/50/568789450.db2.gz DQSSAGLPTJTDDE-MRVPVSSYSA-N 0 0 427.205 4.280 50 0 IIAARN CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000016805599 568793208 /nfs/dbraw/zinc/79/32/08/568793208.db2.gz WCLWAIXKDAXAFZ-OAQYLSRUSA-N 0 0 446.569 4.476 50 0 IIAARN CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001422888 568793367 /nfs/dbraw/zinc/79/33/67/568793367.db2.gz UWVHNEJMIIXTEY-FQEVSTJZSA-N 0 0 436.537 4.143 50 0 IIAARN COc1ccc(C(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CN(C(C)=O)CC4)cc1 ZINC000001431301 568795075 /nfs/dbraw/zinc/79/50/75/568795075.db2.gz SHTYTTRYTNHPGW-UHFFFAOYSA-N 0 0 449.454 4.042 50 0 IIAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000084185744 568795832 /nfs/dbraw/zinc/79/58/32/568795832.db2.gz CXHYKRFPCZOXEJ-QFIPXVFZSA-N 0 0 428.598 4.472 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)c1 ZINC000084195131 568796030 /nfs/dbraw/zinc/79/60/30/568796030.db2.gz QRYRBQWGNMHRRV-OXQOHEQNSA-N 0 0 427.419 4.109 50 0 IIAARN CCOC(=O)[C@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccc(C)cc1 ZINC000004212736 568796951 /nfs/dbraw/zinc/79/69/51/568796951.db2.gz HEEBEXWITZAKSU-HNNXBMFYSA-N 0 0 427.526 4.304 50 0 IIAARN O=C(CNc1cc(Cl)ccc1N1CCC(CO)CC1)Nc1ccc(F)c(Cl)c1 ZINC000084350348 568797086 /nfs/dbraw/zinc/79/70/86/568797086.db2.gz PVEXQLXOITXNSA-UHFFFAOYSA-N 0 0 426.319 4.392 50 0 IIAARN CC(=O)N[C@@H]1CCCN(C(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)C1 ZINC000084753000 568800842 /nfs/dbraw/zinc/80/08/42/568800842.db2.gz XPHLHMCUIGSTFT-OAHLLOKOSA-N 0 0 445.350 4.137 50 0 IIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000015669359 568801930 /nfs/dbraw/zinc/80/19/30/568801930.db2.gz ILMGLXJHNMKRHU-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000015670149 568802183 /nfs/dbraw/zinc/80/21/83/568802183.db2.gz AZSZNEZGEBEKMA-SFHVURJKSA-N 0 0 430.899 4.469 50 0 IIAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1 ZINC000015670084 568802195 /nfs/dbraw/zinc/80/21/95/568802195.db2.gz NNIBJSSEEBOQHK-IBGZPJMESA-N 0 0 440.507 4.214 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccco1 ZINC000015678078 568805056 /nfs/dbraw/zinc/80/50/56/568805056.db2.gz QDAYKJKEFRZVLE-VWLOTQADSA-N 0 0 434.540 4.273 50 0 IIAARN COc1ccccc1CNC(=O)CCCN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000015680065 568805801 /nfs/dbraw/zinc/80/58/01/568805801.db2.gz ACBCUCPFWAXNRA-UHFFFAOYSA-N 0 0 431.492 4.248 50 0 IIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000032496103 568811464 /nfs/dbraw/zinc/81/14/64/568811464.db2.gz IHYZMAAOMBTQQY-HUUCEWRRSA-N 0 0 444.915 4.489 50 0 IIAARN Cc1ccc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1 ZINC000015721498 568812137 /nfs/dbraw/zinc/81/21/37/568812137.db2.gz UYWAXBLQTZUKRW-JOCHJYFZSA-N 0 0 428.488 4.127 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c2cc(Cl)ccc2O1 ZINC000015728462 568813146 /nfs/dbraw/zinc/81/31/46/568813146.db2.gz DDBMVRNUUIUZRN-CYBMUJFWSA-N 0 0 438.958 4.141 50 0 IIAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2S1 ZINC000015730518 568814209 /nfs/dbraw/zinc/81/42/09/568814209.db2.gz VJDOBLWQZQZWGQ-JTQLQIEISA-N 0 0 432.445 4.209 50 0 IIAARN O=C(NCc1ccco1)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734947 568816435 /nfs/dbraw/zinc/81/64/35/568816435.db2.gz IJSZNVQEYWKSSB-UHFFFAOYSA-N 0 0 447.358 4.093 50 0 IIAARN O=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012812376 568819042 /nfs/dbraw/zinc/81/90/42/568819042.db2.gz GXOCNNMHTJASAT-UHFFFAOYSA-N 0 0 443.838 4.148 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(OC)c4)CC3)c(C)o2)cc1 ZINC000015774495 568823304 /nfs/dbraw/zinc/82/33/04/568823304.db2.gz UVXSEDRDGUWHPN-UHFFFAOYSA-N 0 0 436.512 4.017 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2Cl)c2ccco2)cc1 ZINC000015781131 568825811 /nfs/dbraw/zinc/82/58/11/568825811.db2.gz NXMMKPJAPRTJPD-GOSISDBHSA-N 0 0 437.876 4.026 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cc(Cl)ccc1C ZINC000015781777 568826155 /nfs/dbraw/zinc/82/61/55/568826155.db2.gz HGQRXLCJPNXTMJ-SFHVURJKSA-N 0 0 432.904 4.360 50 0 IIAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3F)N2C1=O ZINC000015783385 568826753 /nfs/dbraw/zinc/82/67/53/568826753.db2.gz SXYUEWJURARIFT-KRWDZBQOSA-N 0 0 428.464 4.095 50 0 IIAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O ZINC000015783406 568826759 /nfs/dbraw/zinc/82/67/59/568826759.db2.gz RCYLTZSKEVTJCZ-MRXNPFEDSA-N 0 0 428.464 4.095 50 0 IIAARN COc1cc(Cl)ccc1-c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000085642041 568829046 /nfs/dbraw/zinc/82/90/46/568829046.db2.gz PBMLDQXLTNGRPC-UHFFFAOYSA-N 0 0 433.917 4.240 50 0 IIAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1C ZINC000085643932 568829106 /nfs/dbraw/zinc/82/91/06/568829106.db2.gz JGYJJIIPSPLHJS-UHFFFAOYSA-N 0 0 438.461 4.316 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccccc1S2 ZINC000015784956 568829761 /nfs/dbraw/zinc/82/97/61/568829761.db2.gz GHETVZDKRAGNSZ-UHFFFAOYSA-N 0 0 448.500 4.232 50 0 IIAARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1ccccc1 ZINC000001507961 568835023 /nfs/dbraw/zinc/83/50/23/568835023.db2.gz GXJDKSMTWGCNEZ-UHFFFAOYSA-N 0 0 427.551 4.155 50 0 IIAARN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000106234360 568837440 /nfs/dbraw/zinc/83/74/40/568837440.db2.gz GUAXNPTVJIEBCT-ZRGWGRIASA-N 0 0 435.503 4.389 50 0 IIAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc4c(c3)OCCO4)c21 ZINC000085876916 568838450 /nfs/dbraw/zinc/83/84/50/568838450.db2.gz HCLGKMXCNVLIQH-GOSISDBHSA-N 0 0 432.476 4.379 50 0 biogenic IIAARN COc1cccc(N2C(=O)N(CC(=O)c3ccc(C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000015826615 568840720 /nfs/dbraw/zinc/84/07/20/568840720.db2.gz YWUVIRWTDQOCKJ-UHFFFAOYSA-N 0 0 436.489 4.022 50 0 IIAARN CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347267 568844109 /nfs/dbraw/zinc/84/41/09/568844109.db2.gz BPYSIBBIDTVCQX-LETYXPQCSA-N 0 0 434.617 4.135 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccccc4C)CC3)[nH]c2c1 ZINC000015868707 568852202 /nfs/dbraw/zinc/85/22/02/568852202.db2.gz HICJYFWYUZCJKY-SFHVURJKSA-N 0 0 433.552 4.290 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870678 568852226 /nfs/dbraw/zinc/85/22/26/568852226.db2.gz BRPVIKFYYIGZJQ-UHFFFAOYSA-N 0 0 433.533 4.362 50 0 IIAARN Cc1ccc2nc(NC(=O)CSc3nnc4[nH]c(=O)cc(-c5ccccc5)n43)sc2c1 ZINC000015881783 568856068 /nfs/dbraw/zinc/85/60/68/568856068.db2.gz DVIGPOMFAOVSPT-UHFFFAOYSA-N 0 0 448.533 4.146 50 0 IIAARN Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)c1 ZINC000015882017 568856277 /nfs/dbraw/zinc/85/62/77/568856277.db2.gz HTMDKTISOJPFOD-XMMPIXPASA-N 0 0 443.547 4.017 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)c4cccc(Cl)c4)c(C)n3n2)cc1 ZINC000015882102 568856506 /nfs/dbraw/zinc/85/65/06/568856506.db2.gz PNJQDYWCJVLSAV-UHFFFAOYSA-N 0 0 426.929 4.401 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000015998577 568862092 /nfs/dbraw/zinc/86/20/92/568862092.db2.gz VVNGSFKFBJXCDL-UHFFFAOYSA-N 0 0 436.436 4.119 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000016015030 568862887 /nfs/dbraw/zinc/86/28/87/568862887.db2.gz IUIFFHSVHWSVCW-UHFFFAOYSA-N 0 0 429.563 4.144 50 0 IIAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000016047474 568868868 /nfs/dbraw/zinc/86/88/68/568868868.db2.gz AIGWWMSLRAJPRB-UHFFFAOYSA-N 0 0 430.873 4.350 50 0 IIAARN Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C ZINC000575443411 568869037 /nfs/dbraw/zinc/86/90/37/568869037.db2.gz CZQFOTIRLNKONM-JOCHJYFZSA-N 0 0 436.556 4.012 50 0 IIAARN CC(C)(C(=O)NCc1cccnc1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 ZINC000575443665 568869598 /nfs/dbraw/zinc/86/95/98/568869598.db2.gz GTZTUFXUHKBDRW-UHFFFAOYSA-N 0 0 440.547 4.343 50 0 IIAARN COc1ccc(CCn2c(=O)cc(O)nc2SCc2ccc(C(C)C)cc2)cc1OC ZINC000012950355 568872013 /nfs/dbraw/zinc/87/20/13/568872013.db2.gz OXMGMXPQKAIJSR-UHFFFAOYSA-N 0 0 440.565 4.418 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1c2ccccc2C[C@H]1C ZINC000245263827 568872096 /nfs/dbraw/zinc/87/20/96/568872096.db2.gz BCJYXVAEPYBCFJ-ZIFCJYIRSA-N 0 0 449.576 4.034 50 0 IIAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c1 ZINC000016177648 568872272 /nfs/dbraw/zinc/87/22/72/568872272.db2.gz OCSBWWNMMNDYHL-MRXNPFEDSA-N 0 0 435.524 4.021 50 0 IIAARN O=C(COc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1F ZINC000016210096 568873236 /nfs/dbraw/zinc/87/32/36/568873236.db2.gz QVZYPSXEUPXSED-UHFFFAOYSA-N 0 0 447.462 4.372 50 0 IIAARN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCC(=O)C(C)(C)C)cc1)C2=O ZINC000016266103 568875213 /nfs/dbraw/zinc/87/52/13/568875213.db2.gz WKGGYDNFYBCJSF-UHFFFAOYSA-N 0 0 430.460 4.116 50 0 IIAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575612708 568879538 /nfs/dbraw/zinc/87/95/38/568879538.db2.gz LTGUHCRZSCFCIL-SFHVURJKSA-N 0 0 426.314 4.005 50 0 IIAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccsc2)n1 ZINC000575614535 568879931 /nfs/dbraw/zinc/87/99/31/568879931.db2.gz VXDJAUWOPFTMHZ-QGZVFWFLSA-N 0 0 429.489 4.148 50 0 IIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@@H]1C=C[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000037341849 568880906 /nfs/dbraw/zinc/88/09/06/568880906.db2.gz FIHACZMHSSXMDQ-CDMIOBSGSA-N 0 0 443.927 4.379 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575618390 568882113 /nfs/dbraw/zinc/88/21/13/568882113.db2.gz VMPBWGCYBDHTQG-MRXNPFEDSA-N 0 0 448.910 4.491 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)n1nc(-c2cccs2)ccc1=O ZINC000575619073 568882688 /nfs/dbraw/zinc/88/26/88/568882688.db2.gz GGRRTQDVIRIQPG-INIZCTEOSA-N 0 0 445.548 4.371 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)n1nc(-c2cccs2)ccc1=O ZINC000575619082 568882747 /nfs/dbraw/zinc/88/27/47/568882747.db2.gz GGRRTQDVIRIQPG-MRXNPFEDSA-N 0 0 445.548 4.371 50 0 IIAARN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1csc2ccccc21 ZINC000575622143 568883060 /nfs/dbraw/zinc/88/30/60/568883060.db2.gz WLQJCWAJKFHGFI-QGZVFWFLSA-N 0 0 435.471 4.278 50 0 IIAARN COc1cccc2cc(-c3csc(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)n3)oc21 ZINC000010747986 568884597 /nfs/dbraw/zinc/88/45/97/568884597.db2.gz JAVYXDRAMSVELG-UHFFFAOYSA-N 0 0 447.472 4.471 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nn2)n1 ZINC000090593311 568888943 /nfs/dbraw/zinc/88/89/43/568888943.db2.gz FHPXLLXCYIKQJV-UHFFFAOYSA-N 0 0 438.944 4.294 50 0 IIAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3cc(OC)ccc3OC)C2=O)c1 ZINC000103018413 568891337 /nfs/dbraw/zinc/89/13/37/568891337.db2.gz XJUPWCATFBBFES-QNGOZBTKSA-N 0 0 430.460 4.352 50 0 IIAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)c1 ZINC000012978516 568891881 /nfs/dbraw/zinc/89/18/81/568891881.db2.gz QONKDVPZABAUSN-OAHLLOKOSA-N 0 0 449.532 4.020 50 0 IIAARN COc1cc2c(cc1OC)CN(Cc1nc(-c3cccc(Br)c3)no1)CC2 ZINC000012979751 568892109 /nfs/dbraw/zinc/89/21/09/568892109.db2.gz LRBRXQYHAPXPQW-UHFFFAOYSA-N 0 0 430.302 4.075 50 0 IIAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613851 568892419 /nfs/dbraw/zinc/89/24/19/568892419.db2.gz BXWBRECUMUUHSL-SFHVURJKSA-N 0 0 430.353 4.381 50 0 IIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000012982407 568894630 /nfs/dbraw/zinc/89/46/30/568894630.db2.gz SSBXMNHFIUIAOF-SFHVURJKSA-N 0 0 443.334 4.482 50 0 IIAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000012983524 568895503 /nfs/dbraw/zinc/89/55/03/568895503.db2.gz AZAOZLPCXUKAOQ-MRDQGFSESA-N 0 0 445.494 4.137 50 0 IIAARN COc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012983633 568895538 /nfs/dbraw/zinc/89/55/38/568895538.db2.gz KEXGJKLHJVEWPZ-UHFFFAOYSA-N 0 0 437.352 4.208 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)[C@H](C)C3CC3)CC2)cc1 ZINC000012998726 568897702 /nfs/dbraw/zinc/89/77/02/568897702.db2.gz JZEVGYDRABRPKE-HXUWFJFHSA-N 0 0 440.609 4.223 50 0 IIAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CNC(=O)Cc1ccccc1 ZINC000013001980 568898302 /nfs/dbraw/zinc/89/83/02/568898302.db2.gz SDMSRWUCAQJBRI-UHFFFAOYSA-N 0 0 441.325 4.026 50 0 IIAARN COCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(OC)c(OC)c1 ZINC000013009078 568899682 /nfs/dbraw/zinc/89/96/82/568899682.db2.gz RYEISXDRGCQVGX-AWEZNQCLSA-N 0 0 447.561 4.359 50 0 IIAARN CC(=O)c1ccccc1OCCN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013009457 568899856 /nfs/dbraw/zinc/89/98/56/568899856.db2.gz VVMJNYCZMCYPIC-UHFFFAOYSA-N 0 0 435.851 4.261 50 0 IIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)c12 ZINC000013011986 568900986 /nfs/dbraw/zinc/90/09/86/568900986.db2.gz QPUUTIJFJCOQLR-UHFFFAOYSA-N 0 0 448.354 4.418 50 0 IIAARN CCc1cccc(NC(=O)CSCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1 ZINC000013014986 568901370 /nfs/dbraw/zinc/90/13/70/568901370.db2.gz CFBBWUJFWVQRMM-UHFFFAOYSA-N 0 0 428.949 4.285 50 0 IIAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000013020162 568902037 /nfs/dbraw/zinc/90/20/37/568902037.db2.gz LVEWXVIIEYQVGL-SFHVURJKSA-N 0 0 445.537 4.295 50 0 IIAARN COC(=O)c1cn(CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2 ZINC000253408584 568903122 /nfs/dbraw/zinc/90/31/22/568903122.db2.gz KWMRJFUQXQPWPU-SFHVURJKSA-N 0 0 439.874 4.478 50 0 IIAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239174545 568910732 /nfs/dbraw/zinc/91/07/32/568910732.db2.gz QFHLFVFHJPSHSD-RQGSJKACSA-N 0 0 431.536 4.140 50 0 IIAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000239386726 568911444 /nfs/dbraw/zinc/91/14/44/568911444.db2.gz QDYNHOKMRBDKAV-YFNKSVMNSA-N 0 0 428.488 4.369 50 0 IIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(C)cc1 ZINC000245235846 568913080 /nfs/dbraw/zinc/91/30/80/568913080.db2.gz OPHFQBWCFDSCTD-KJOQGJGQSA-N 0 0 437.536 4.342 50 0 IIAARN CCCn1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1=O ZINC000013097557 568925246 /nfs/dbraw/zinc/92/52/46/568925246.db2.gz KFKLBXMPMXIQFM-UHFFFAOYSA-N 0 0 444.413 4.177 50 0 IIAARN CCCNC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 ZINC000006500521 568927764 /nfs/dbraw/zinc/92/77/64/568927764.db2.gz KXWZNNPBAYJSEW-UHFFFAOYSA-N 0 0 432.542 4.045 50 0 IIAARN Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccccc2Br)no1 ZINC000064438845 568928043 /nfs/dbraw/zinc/92/80/43/568928043.db2.gz ZRBIZVGKYVRUSM-UHFFFAOYSA-N 0 0 435.328 4.100 50 0 IIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)Nc1ccccc1 ZINC000064438498 568928288 /nfs/dbraw/zinc/92/82/88/568928288.db2.gz PKXCKTKYHDZKIH-UHFFFAOYSA-N 0 0 445.494 4.160 50 0 IIAARN CCCC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450870 568928920 /nfs/dbraw/zinc/92/89/20/568928920.db2.gz SBASMFYCFZTXEX-UHFFFAOYSA-N 0 0 426.590 4.117 50 0 IIAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCOCC1 ZINC000064471899 568929843 /nfs/dbraw/zinc/92/98/43/568929843.db2.gz JPPWMWWPUYFILX-UHFFFAOYSA-N 0 0 430.277 4.352 50 0 IIAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000013107168 568931793 /nfs/dbraw/zinc/93/17/93/568931793.db2.gz YXMGOLPWPGGYSB-UHFFFAOYSA-N 0 0 444.484 4.012 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1 ZINC000064558481 568932331 /nfs/dbraw/zinc/93/23/31/568932331.db2.gz YKPKHRZKWNZSLC-IBGZPJMESA-N 0 0 425.531 4.384 50 0 IIAARN COc1ccccc1NC(=O)N1CCc2c(c(COCc3ccc(Cl)cc3)nn2C)C1 ZINC000064565857 568932622 /nfs/dbraw/zinc/93/26/22/568932622.db2.gz RNBFYPXDSGSGIP-UHFFFAOYSA-N 0 0 440.931 4.389 50 0 IIAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2 ZINC000064566120 568932823 /nfs/dbraw/zinc/93/28/23/568932823.db2.gz ZSIXBLIISKUDSN-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1cc(F)ccc1Cl)C2 ZINC000064566049 568932834 /nfs/dbraw/zinc/93/28/34/568932834.db2.gz MPRZBLKWXIOBNG-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](c2cccc(NC(=O)c3ccccc3)c2)O1 ZINC000064567869 568933700 /nfs/dbraw/zinc/93/37/00/568933700.db2.gz RCPZZQMINRMGTK-RUZDIDTESA-N 0 0 443.459 4.103 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000006582003 568933892 /nfs/dbraw/zinc/93/38/92/568933892.db2.gz SFFUZSHPKSEYQK-IBGZPJMESA-N 0 0 426.948 4.362 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3ccc(Sc4cccc(F)c4)nn3)CC2)o1 ZINC000064580659 568934439 /nfs/dbraw/zinc/93/44/39/568934439.db2.gz AVPIPXPSFVIMDT-UHFFFAOYSA-N 0 0 426.517 4.201 50 0 IIAARN Cc1c(Cl)cccc1-n1ccn2c(SCC(=O)c3ccccc3Cl)nnc2c1=O ZINC000064593741 568936043 /nfs/dbraw/zinc/93/60/43/568936043.db2.gz LCYBLOZYHCUBAD-UHFFFAOYSA-N 0 0 445.331 4.470 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000064605336 568939419 /nfs/dbraw/zinc/93/94/19/568939419.db2.gz LOUVJYQLAGGTMH-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN COc1cccc(CNS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1 ZINC000064610914 568939990 /nfs/dbraw/zinc/93/99/90/568939990.db2.gz VGWXCJRJWNGOCA-UHFFFAOYSA-N 0 0 435.505 4.199 50 0 IIAARN Cc1cc(-n2nnc(C(=O)NCc3ccc(F)cc3Cl)c2-c2ccccn2)ccc1F ZINC000064611086 568940006 /nfs/dbraw/zinc/94/00/06/568940006.db2.gz JBFPQYZHKSBCBC-UHFFFAOYSA-N 0 0 439.853 4.499 50 0 IIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000064611168 568940090 /nfs/dbraw/zinc/94/00/90/568940090.db2.gz PONITFDIDGCWBY-FQEVSTJZSA-N 0 0 428.492 4.216 50 0 IIAARN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(Br)cc1Br ZINC000054362967 568940693 /nfs/dbraw/zinc/94/06/93/568940693.db2.gz HOYPAHGNUGQUHX-ZANVPECISA-N 0 0 425.186 4.377 50 0 IIAARN CCOC(=O)C1=C(CN2CCCCC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991102 568941747 /nfs/dbraw/zinc/94/17/47/568941747.db2.gz LWTAKMDYPWALLI-QFIPXVFZSA-N 0 0 427.589 4.373 50 0 IIAARN CCN1c2ccc(NC(=O)CNC(=O)c3ccccc3)cc2Sc2ccccc2C1=O ZINC000064666643 568942895 /nfs/dbraw/zinc/94/28/95/568942895.db2.gz SCSVHMGBTVKDKY-UHFFFAOYSA-N 0 0 431.517 4.186 50 0 IIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073443 568945904 /nfs/dbraw/zinc/94/59/04/568945904.db2.gz RKLFQPMHZRKWSP-JOCHJYFZSA-N 0 0 446.595 4.442 50 0 IIAARN O=C(NCCc1ccccn1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082697 568946862 /nfs/dbraw/zinc/94/68/62/568946862.db2.gz PCVLJAGDVWHNEW-UHFFFAOYSA-N 0 0 444.457 4.226 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000036083509 568947246 /nfs/dbraw/zinc/94/72/46/568947246.db2.gz YBKCYQXIXHGMKH-FQEVSTJZSA-N 0 0 430.501 4.140 50 0 IIAARN O=C(Cn1cc(-c2ccccc2)c(N2CCSCC2)n1)NCc1cccc(Cl)c1 ZINC000064747934 568950537 /nfs/dbraw/zinc/95/05/37/568950537.db2.gz YDRDIKVIRKWARJ-UHFFFAOYSA-N 0 0 426.973 4.073 50 0 IIAARN Cc1nc2cc(C(=O)NCc3cccc(C)c3)ccc2n1CCC(=O)NC1CCCCC1 ZINC000064748064 568950588 /nfs/dbraw/zinc/95/05/88/568950588.db2.gz BZESXKURWWHNKZ-UHFFFAOYSA-N 0 0 432.568 4.422 50 0 IIAARN O=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1ccc(F)c(Cl)c1 ZINC000064757160 568951661 /nfs/dbraw/zinc/95/16/61/568951661.db2.gz IOBMSMNMCQXNSE-UHFFFAOYSA-N 0 0 431.943 4.048 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@@H](C)C(C)C)c1 ZINC000006695930 568952541 /nfs/dbraw/zinc/95/25/41/568952541.db2.gz BUSFREZUMBMWAI-IBGZPJMESA-N 0 0 425.573 4.333 50 0 IIAARN COc1cccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103763 568952986 /nfs/dbraw/zinc/95/29/86/568952986.db2.gz OCBWJBXRKQUSAA-XMMPIXPASA-N 0 0 439.527 4.423 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036115596 568955464 /nfs/dbraw/zinc/95/54/64/568955464.db2.gz ZXYONJUJFUOOGS-HXUWFJFHSA-N 0 0 434.989 4.411 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C1CC1 ZINC000036116839 568955761 /nfs/dbraw/zinc/95/57/61/568955761.db2.gz HIKOZAWCXPYFKT-QFIPXVFZSA-N 0 0 426.582 4.387 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)C(C)C ZINC000036118545 568955941 /nfs/dbraw/zinc/95/59/41/568955941.db2.gz BKOZMEFEIAAPQL-HXUWFJFHSA-N 0 0 428.598 4.374 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119475 568956114 /nfs/dbraw/zinc/95/61/14/568956114.db2.gz HCWOVGFJOZUVNP-LAUBAEHRSA-N 0 0 426.582 4.290 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 ZINC000064788029 568956479 /nfs/dbraw/zinc/95/64/79/568956479.db2.gz AAZTYIVVEYHYMO-UHFFFAOYSA-N 0 0 438.896 4.287 50 0 IIAARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4c2c(C)cc(C)cc2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788167 568956654 /nfs/dbraw/zinc/95/66/54/568956654.db2.gz FAHIBYCTIQRFPY-VWLOTQADSA-N 0 0 443.547 4.059 50 0 IIAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788258 568956658 /nfs/dbraw/zinc/95/66/58/568956658.db2.gz QRIQNYOKNZZRKV-DEOSSOPVSA-N 0 0 443.547 4.177 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036119651 568956749 /nfs/dbraw/zinc/95/67/49/568956749.db2.gz HNINFBXKLYQSMK-NRFANRHFSA-N 0 0 426.582 4.148 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)=O ZINC000036120117 568957018 /nfs/dbraw/zinc/95/70/18/568957018.db2.gz VWXQZCCKUXLXKI-VGSWGCGISA-N 0 0 428.598 4.456 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120418 568957523 /nfs/dbraw/zinc/95/75/23/568957523.db2.gz NIMLGXHTRQKGRM-JXFKEZNVSA-N 0 0 444.572 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)(C)C ZINC000036121045 568957616 /nfs/dbraw/zinc/95/76/16/568957616.db2.gz OLHKVIRGKQXJBI-IBGZPJMESA-N 0 0 432.561 4.429 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC(C)C ZINC000036122630 568958222 /nfs/dbraw/zinc/95/82/22/568958222.db2.gz OVWYUTUXFWLUHQ-NRFANRHFSA-N 0 0 443.613 4.331 50 0 IIAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)NC(C)C)C(C)C)cc1 ZINC000036122807 568958309 /nfs/dbraw/zinc/95/83/09/568958309.db2.gz UYPKLDGVRXNNEH-NRFANRHFSA-N 0 0 443.613 4.390 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1 ZINC000036122842 568958360 /nfs/dbraw/zinc/95/83/60/568958360.db2.gz MJHWKJVPMAUTOP-NRFANRHFSA-N 0 0 441.597 4.145 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C ZINC000036122804 568958416 /nfs/dbraw/zinc/95/84/16/568958416.db2.gz IQONNKGWQMMADT-FQEVSTJZSA-N 0 0 429.586 4.001 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)NC(C)C ZINC000036123266 568958483 /nfs/dbraw/zinc/95/84/83/568958483.db2.gz PCRHTYYRXITICJ-FQEVSTJZSA-N 0 0 447.576 4.222 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)NC(C)C ZINC000036123994 568958678 /nfs/dbraw/zinc/95/86/78/568958678.db2.gz MANPITMUPDDTRL-HXUWFJFHSA-N 0 0 443.613 4.391 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)NC(C)C ZINC000036123942 568958709 /nfs/dbraw/zinc/95/87/09/568958709.db2.gz FJIMMGHURTXBBO-LJQANCHMSA-N 0 0 429.586 4.001 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccc(C)cc2)cc1 ZINC000064792773 568959342 /nfs/dbraw/zinc/95/93/42/568959342.db2.gz WRZUISDLIRWXHW-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN C[C@@H]1CCCCN1C(=O)CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000064793540 568959740 /nfs/dbraw/zinc/95/97/40/568959740.db2.gz KOAJOQIYCMUOBY-VGSWGCGISA-N 0 0 448.958 4.178 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)Nc1ccccc1 ZINC000064793596 568959782 /nfs/dbraw/zinc/95/97/82/568959782.db2.gz IKJWZHUOYPGSCV-QFIPXVFZSA-N 0 0 442.910 4.416 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1O ZINC000064797908 568960404 /nfs/dbraw/zinc/96/04/04/568960404.db2.gz BQJOUXPSVXJIMF-HNNXBMFYSA-N 0 0 429.519 4.159 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(OC)c2)cc1 ZINC000064798983 568960545 /nfs/dbraw/zinc/96/05/45/568960545.db2.gz KIRHUIBSBONMTD-KRWDZBQOSA-N 0 0 429.519 4.072 50 0 IIAARN CCc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064816239 568965011 /nfs/dbraw/zinc/96/50/11/568965011.db2.gz OFGRIIDNBWSGLM-RUZDIDTESA-N 0 0 432.524 4.183 50 0 IIAARN O=C(c1ccco1)N1CCS[C@@]12C(=O)N(Cc1ccc(F)c(F)c1)c1ccccc12 ZINC000036166845 568967437 /nfs/dbraw/zinc/96/74/37/568967437.db2.gz PAPPEYCZYCEOMG-QFIPXVFZSA-N 0 0 426.444 4.147 50 0 IIAARN O=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1ccc(F)c(F)c1)c1ccccc12 ZINC000036166842 568967488 /nfs/dbraw/zinc/96/74/88/568967488.db2.gz PAPPEYCZYCEOMG-JOCHJYFZSA-N 0 0 426.444 4.147 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167494 568967679 /nfs/dbraw/zinc/96/76/79/568967679.db2.gz MERNCCVUQRHCJL-HSZRJFAPSA-N 0 0 444.503 4.049 50 0 IIAARN O=C(C1CCCC1)N1CCS[C@]12c1cc(F)ccc1N(Cc1cccc(F)c1)C2=O ZINC000036165371 568968352 /nfs/dbraw/zinc/96/83/52/568968352.db2.gz GRASKEXRFRQAEL-QHCPKHFHSA-N 0 0 428.504 4.430 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1cccc(F)c1 ZINC000036166244 568968523 /nfs/dbraw/zinc/96/85/23/568968523.db2.gz OUNJSABGNPPKIO-HSZRJFAPSA-N 0 0 428.529 4.155 50 0 IIAARN CN(CCc1noc(COc2ccccc2)n1)C(=O)Nc1ccccc1Br ZINC000064840045 568969663 /nfs/dbraw/zinc/96/96/63/568969663.db2.gz JFVLIPVSEPWLDQ-UHFFFAOYSA-N 0 0 431.290 4.118 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1F)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842372 568970889 /nfs/dbraw/zinc/97/08/89/568970889.db2.gz QAFLJYHDCAWSTD-SFHVURJKSA-N 0 0 436.443 4.097 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848077 568971389 /nfs/dbraw/zinc/97/13/89/568971389.db2.gz FYYSTSXTLUDNFC-UHFFFAOYSA-N 0 0 431.920 4.375 50 0 biogenic IIAARN COc1ccc(OCC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064858645 568972210 /nfs/dbraw/zinc/97/22/10/568972210.db2.gz HFBWNNJJBMEBCU-UHFFFAOYSA-N 0 0 431.536 4.425 50 0 biogenic IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862322 568974191 /nfs/dbraw/zinc/97/41/91/568974191.db2.gz URICAMDGRGSKNI-UHFFFAOYSA-N 0 0 427.570 4.225 50 0 IIAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cc(C)c(C)cc2N1 ZINC000064869340 568975855 /nfs/dbraw/zinc/97/58/55/568975855.db2.gz RWFKDZVSGVNDIS-UHFFFAOYSA-N 0 0 441.915 4.191 50 0 IIAARN Cc1ccc(NC(=O)CCn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)c(Cl)c1 ZINC000064891940 568982868 /nfs/dbraw/zinc/98/28/68/568982868.db2.gz DIPVESONORPUFJ-UHFFFAOYSA-N 0 0 438.915 4.103 50 0 IIAARN CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccco1 ZINC000036249188 568983050 /nfs/dbraw/zinc/98/30/50/568983050.db2.gz SJRKYUODDHSDNY-MRXNPFEDSA-N 0 0 427.476 4.351 50 0 IIAARN CCNC(=S)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H]1CCCO1 ZINC000036249669 568983577 /nfs/dbraw/zinc/98/35/77/568983577.db2.gz XJWPBRYWUNBQKU-IBGZPJMESA-N 0 0 428.602 4.207 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000006775794 568983593 /nfs/dbraw/zinc/98/35/93/568983593.db2.gz RLQPPNZRVCJTHA-XMMPIXPASA-N 0 0 427.564 4.480 50 0 IIAARN CCc1ccccc1NC(=O)CCc1c(C)nn(-c2cc(N3CCCCC3)ncn2)c1C ZINC000064924712 568986276 /nfs/dbraw/zinc/98/62/76/568986276.db2.gz DONPLOILCOPLTD-UHFFFAOYSA-N 0 0 432.572 4.403 50 0 IIAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)ccc2=O)cc1 ZINC000064928311 568987434 /nfs/dbraw/zinc/98/74/34/568987434.db2.gz XZVRDCPYVYKAIM-SFHVURJKSA-N 0 0 436.943 4.303 50 0 IIAARN Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000064928147 568987438 /nfs/dbraw/zinc/98/74/38/568987438.db2.gz FJEPBFCWAGBQSR-UHFFFAOYSA-N 0 0 434.989 4.064 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)ccc2=O)cc1Cl ZINC000064928650 568987765 /nfs/dbraw/zinc/98/77/65/568987765.db2.gz FPAKGYOGBLAUEJ-GOSISDBHSA-N 0 0 442.991 4.250 50 0 IIAARN Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000064930329 568988700 /nfs/dbraw/zinc/98/87/00/568988700.db2.gz UMRIGPUGQIPCQO-KRWDZBQOSA-N 0 0 428.464 4.354 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930409 568988930 /nfs/dbraw/zinc/98/89/30/568988930.db2.gz DQRLPBCHFISUKO-INIZCTEOSA-N 0 0 429.452 4.438 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)Nc1cc(F)ccc1F ZINC000064944142 568993193 /nfs/dbraw/zinc/99/31/93/568993193.db2.gz ZWYORALGLGBCHW-UHFFFAOYSA-N 0 0 435.525 4.476 50 0 IIAARN Cc1ccccc1Cn1nc2n(c3ccsc3c(=O)n2Cc2ccc(C(C)C)cc2)c1=O ZINC000064946504 568993655 /nfs/dbraw/zinc/99/36/55/568993655.db2.gz BVSWFDWBBKVWNM-UHFFFAOYSA-N 0 0 444.560 4.401 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036303504 568993796 /nfs/dbraw/zinc/99/37/96/568993796.db2.gz VHJWJULAHVGMLA-KRWDZBQOSA-N 0 0 429.948 4.456 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000036311049 568996855 /nfs/dbraw/zinc/99/68/55/568996855.db2.gz MQNJMSXZAPDKMA-QHCPKHFHSA-N 0 0 438.547 4.481 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(C)c4C)c(=O)[nH]c3C2)cc1OC ZINC000064959233 568999653 /nfs/dbraw/zinc/99/96/53/568999653.db2.gz MYZPGAQZTJNBFX-QGZVFWFLSA-N 0 0 446.503 4.174 50 0 IIAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970861 569076337 /nfs/dbraw/zinc/07/63/37/569076337.db2.gz XNDBIFAYTQIHJA-FQEVSTJZSA-N 0 0 429.524 4.406 50 0 IIAARN CC[C@@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970981 569076539 /nfs/dbraw/zinc/07/65/39/569076539.db2.gz RBEMEAZKAOGOHZ-NRFANRHFSA-N 0 0 433.556 4.157 50 0 IIAARN CSc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)c1 ZINC000064972076 569076766 /nfs/dbraw/zinc/07/67/66/569076766.db2.gz IZLKMXNBSWWYTJ-QFIPXVFZSA-N 0 0 438.574 4.163 50 0 IIAARN Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000064972474 569076889 /nfs/dbraw/zinc/07/68/89/569076889.db2.gz HVFJBZISULJGHO-DEOSSOPVSA-N 0 0 448.588 4.044 50 0 IIAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1cccc(Cl)c1)c(C)n2C ZINC000064977709 569077620 /nfs/dbraw/zinc/07/76/20/569077620.db2.gz OPODKASETHRGEO-UHFFFAOYSA-N 0 0 448.954 4.219 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)nnn5C4CCCC4)no3)CC2=O)cc1 ZINC000064980041 569078329 /nfs/dbraw/zinc/07/83/29/569078329.db2.gz UIETXDPSVHLGJE-KRWDZBQOSA-N 0 0 428.496 4.425 50 0 IIAARN 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ZINC000065210304 569116263 /nfs/dbraw/zinc/11/62/63/569116263.db2.gz POQHFHPKBVEWDQ-UHFFFAOYSA-N 0 0 432.476 4.168 50 0 IIAARN Cc1ccccc1CNC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000065211641 569116607 /nfs/dbraw/zinc/11/66/07/569116607.db2.gz LMBWKOOTZYYZCV-UHFFFAOYSA-N 0 0 426.973 4.362 50 0 IIAARN Cc1nn2c(CNS(=O)(=O)c3ccc(C(C)C)cc3)c(-c3ccccc3)nc2s1 ZINC000065217297 569117079 /nfs/dbraw/zinc/11/70/79/569117079.db2.gz RTZSBLJKHFUOPD-UHFFFAOYSA-N 0 0 426.567 4.368 50 0 IIAARN CCc1nn2c(CNS(=O)(=O)c3cc(C)ccc3C)c(-c3ccccc3)nc2s1 ZINC000065217427 569117158 /nfs/dbraw/zinc/11/71/58/569117158.db2.gz QNIYOVWODFLYQS-UHFFFAOYSA-N 0 0 426.567 4.116 50 0 IIAARN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219120 569117328 /nfs/dbraw/zinc/11/73/28/569117328.db2.gz BRXQLMWDWUHXIX-ZDUSSCGKSA-N 0 0 436.468 4.361 50 0 IIAARN CCCNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000007001430 569117526 /nfs/dbraw/zinc/11/75/26/569117526.db2.gz ALCJVSAHBPIDOF-UHFFFAOYSA-N 0 0 426.561 4.435 50 0 IIAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc2C1=O ZINC000065241579 569118890 /nfs/dbraw/zinc/11/88/90/569118890.db2.gz DIDWCPBONWYFEL-UHFFFAOYSA-N 0 0 427.457 4.102 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2C1=O ZINC000065241619 569118920 /nfs/dbraw/zinc/11/89/20/569118920.db2.gz JIRYUYPHWGEIAF-UHFFFAOYSA-N 0 0 427.457 4.184 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3OC)c3c(C)nn(C)c3n2)cc1 ZINC000036616302 569122748 /nfs/dbraw/zinc/12/27/48/569122748.db2.gz VLBTXRINPYJIDT-UHFFFAOYSA-N 0 0 432.480 4.222 50 0 IIAARN CCN1c2ccc(NC(=O)COc3ccc(OC)cc3)cc2Sc2ncccc2C1=O ZINC000065258519 569124451 /nfs/dbraw/zinc/12/44/51/569124451.db2.gz CVEFQKNFAWETOP-UHFFFAOYSA-N 0 0 435.505 4.239 50 0 IIAARN COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NCc4c(C)nn(C)c4C)c32)c1 ZINC000036619440 569124656 /nfs/dbraw/zinc/12/46/56/569124656.db2.gz HOKYQVIIHHATIX-UHFFFAOYSA-N 0 0 431.496 4.056 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1OC ZINC000065259966 569124777 /nfs/dbraw/zinc/12/47/77/569124777.db2.gz VWQGMVHERCGQKA-AREMUKBSSA-N 0 0 448.567 4.367 50 0 IIAARN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000065260143 569125010 /nfs/dbraw/zinc/12/50/10/569125010.db2.gz HAESGJFCCPZSGE-VWLOTQADSA-N 0 0 449.555 4.368 50 0 IIAARN O=C(COc1ccc(F)cc1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC1CCCC1 ZINC000065259973 569125012 /nfs/dbraw/zinc/12/50/12/569125012.db2.gz ILGZQXIJNGUVGN-VWLOTQADSA-N 0 0 436.531 4.254 50 0 IIAARN COc1cccc(CNC(=O)[C@H]2CN(C(=O)c3cccs3)CC23CCCCC3)c1OC ZINC000065266278 569127530 /nfs/dbraw/zinc/12/75/30/569127530.db2.gz WJKZYFDWLMESNX-GOSISDBHSA-N 0 0 442.581 4.104 50 0 biogenic IIAARN Cc1ccc(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1N1CCCC1=O ZINC000065270261 569128043 /nfs/dbraw/zinc/12/80/43/569128043.db2.gz RGCVEINSMCOGCB-UHFFFAOYSA-N 0 0 432.499 4.171 50 0 IIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000524735780 569128173 /nfs/dbraw/zinc/12/81/73/569128173.db2.gz YJVUIEHEXBPTQB-HXUWFJFHSA-N 0 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COc1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2ccc(C)c(C)c2)cc1Cl ZINC000065311040 569133705 /nfs/dbraw/zinc/13/37/05/569133705.db2.gz ZAFNJYSITUQWHF-UHFFFAOYSA-N 0 0 426.904 4.213 50 0 IIAARN CC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 ZINC000065315535 569134150 /nfs/dbraw/zinc/13/41/50/569134150.db2.gz KINJCKWLPJMKEQ-GOSISDBHSA-N 0 0 443.592 4.157 50 0 IIAARN CCN(CC)c1nc2nc(SCC(=O)Nc3ccc(C)cc3)n(C(C)C)c(=O)c2s1 ZINC000065319439 569134931 /nfs/dbraw/zinc/13/49/31/569134931.db2.gz QHASOZVTHGVNLR-UHFFFAOYSA-N 0 0 445.614 4.319 50 0 IIAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)N[C@H](C)c4ccncc4)CC3)nn2)cc1 ZINC000065314866 569135738 /nfs/dbraw/zinc/13/57/38/569135738.db2.gz LFOBIAPEVIRELC-GOSISDBHSA-N 0 0 433.581 4.425 50 0 IIAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc4c(c3)ncn4-c3ccccc3)nc21 ZINC000036709154 569136165 /nfs/dbraw/zinc/13/61/65/569136165.db2.gz IKTDTWVOTCAXHH-INIZCTEOSA-N 0 0 432.505 4.327 50 0 IIAARN O=C(c1ccccc1SC(F)F)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238812296 569136529 /nfs/dbraw/zinc/13/65/29/569136529.db2.gz APEJVCNJZLKZKB-NSHDSACASA-N 0 0 429.286 4.452 50 0 IIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000036750376 569137604 /nfs/dbraw/zinc/13/76/04/569137604.db2.gz KCKLXCOXTPWOLH-AWEZNQCLSA-N 0 0 428.410 4.293 50 0 IIAARN COc1cc(Br)c(CCNC(=O)C(C)(C)Oc2ccc(F)cc2)cc1OC ZINC000036874597 569138562 /nfs/dbraw/zinc/13/85/62/569138562.db2.gz PRTOWPIYGDYLFW-UHFFFAOYSA-N 0 0 440.309 4.122 50 0 IIAARN Cc1csc([C@@](O)(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)C(F)(F)F)n1 ZINC000065530171 569139178 /nfs/dbraw/zinc/13/91/78/569139178.db2.gz IFXXMAYPNBRAIP-QUCCMNQESA-N 0 0 435.471 4.025 50 0 IIAARN C[C@H](NC(=O)[C@H](C)N1C(=S)N=NC1c1cccs1)c1cccc(Br)c1 ZINC000065565573 569139401 /nfs/dbraw/zinc/13/94/01/569139401.db2.gz XKHKBOINHGDYIA-QWRGUYRKSA-N 0 0 437.388 4.496 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1 ZINC000065575399 569139712 /nfs/dbraw/zinc/13/97/12/569139712.db2.gz MMQNRPMEVLJCJD-FQEVSTJZSA-N 0 0 446.569 4.139 50 0 IIAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc(-c2nc[nH]n2)no1 ZINC000526052322 569140568 /nfs/dbraw/zinc/14/05/68/569140568.db2.gz YSZQBXHCYRNPHS-FQEVSTJZSA-N 0 0 439.479 4.197 50 0 IIAARN CCOC(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc21 ZINC000170602921 569143469 /nfs/dbraw/zinc/14/34/69/569143469.db2.gz XPXLXJJIRJJHFJ-KBXCAEBGSA-N 0 0 432.314 4.300 50 0 IIAARN CCOC(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc21 ZINC000170602920 569143473 /nfs/dbraw/zinc/14/34/73/569143473.db2.gz XPXLXJJIRJJHFJ-KDOFPFPSSA-N 0 0 432.314 4.300 50 0 IIAARN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cc2C1 ZINC000170602550 569143475 /nfs/dbraw/zinc/14/34/75/569143475.db2.gz CDAXFZDAIHMNIM-UHFFFAOYSA-N 0 0 442.560 4.257 50 0 IIAARN Fc1ccc(CN2CCCC[C@@H]2c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1 ZINC000170606759 569144587 /nfs/dbraw/zinc/14/45/87/569144587.db2.gz LQOJOANRKZWOTH-HSZRJFAPSA-N 0 0 436.531 4.435 50 0 IIAARN O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000207972892 569145693 /nfs/dbraw/zinc/14/56/93/569145693.db2.gz FEMQTVBDRKSZIP-SFHVURJKSA-N 0 0 434.439 4.104 50 0 IIAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000170614230 569146223 /nfs/dbraw/zinc/14/62/23/569146223.db2.gz NGCKYRBWCUPIDN-JOCHJYFZSA-N 0 0 440.496 4.383 50 0 IIAARN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000170614961 569146508 /nfs/dbraw/zinc/14/65/08/569146508.db2.gz MRIIVWCRATZRMC-RDPSFJRHSA-N 0 0 426.513 4.233 50 0 IIAARN O=S(=O)(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000170621856 569147716 /nfs/dbraw/zinc/14/77/16/569147716.db2.gz RSTUYDQMMOOVDO-IBGZPJMESA-N 0 0 449.429 4.313 50 0 IIAARN O=C(COc1cccc(Br)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000170623586 569148301 /nfs/dbraw/zinc/14/83/01/569148301.db2.gz LHSQYXVYWBMGEJ-FQEVSTJZSA-N 0 0 438.749 4.454 50 0 IIAARN Cc1ccccc1-n1nc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000170625241 569148422 /nfs/dbraw/zinc/14/84/22/569148422.db2.gz ZUJRLCWNDAWDRD-FQEVSTJZSA-N 0 0 430.335 4.440 50 0 IIAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626251 569148602 /nfs/dbraw/zinc/14/86/02/569148602.db2.gz HAHBQPFLLAUZGY-IBGZPJMESA-N 0 0 428.330 4.387 50 0 IIAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000009884140 569150239 /nfs/dbraw/zinc/15/02/39/569150239.db2.gz AIFCAKNASNASEP-UHFFFAOYSA-N 0 0 429.498 4.067 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc12 ZINC000010024610 569151533 /nfs/dbraw/zinc/15/15/33/569151533.db2.gz OKJNKWZPHIZUQE-UHFFFAOYSA-N 0 0 437.569 4.183 50 0 IIAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)o3)cc2C1 ZINC000010028537 569151779 /nfs/dbraw/zinc/15/17/79/569151779.db2.gz GBVIRHNSOWCZSQ-LBPRGKRZSA-N 0 0 443.550 4.425 50 0 IIAARN Cc1ccc(SCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010060255 569152413 /nfs/dbraw/zinc/15/24/13/569152413.db2.gz AMYKEOUVQYBKDC-UHFFFAOYSA-N 0 0 426.563 4.318 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)CSC3)c(C)c1 ZINC000010220921 569153158 /nfs/dbraw/zinc/15/31/58/569153158.db2.gz YAHIUJXAPYEJJC-SFHVURJKSA-N 0 0 448.592 4.312 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000010219398 569153725 /nfs/dbraw/zinc/15/37/25/569153725.db2.gz RNENIQMCBCGAKG-UHFFFAOYSA-N 0 0 431.322 4.024 50 0 IIAARN COc1cc(OC)c(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1Cl ZINC000013324932 569155117 /nfs/dbraw/zinc/15/51/17/569155117.db2.gz AODRYAVAQJEMID-UHFFFAOYSA-N 0 0 430.357 4.422 50 0 IIAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1 ZINC000013514098 569155555 /nfs/dbraw/zinc/15/55/55/569155555.db2.gz WYYUTOKTDUFUMP-HAHDFKILSA-N 0 0 428.513 4.435 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1F ZINC000013696357 569156666 /nfs/dbraw/zinc/15/66/66/569156666.db2.gz GNKYLMRAJBUBFY-UHFFFAOYSA-N 0 0 432.517 4.105 50 0 IIAARN COc1cccc(NC(=O)[C@@H](OC(=O)[C@@H](C)n2c3ccccc3oc2=O)c2ccccc2)c1 ZINC000014162404 569157920 /nfs/dbraw/zinc/15/79/20/569157920.db2.gz NCMFGGGOAGXVEN-ZHRRBRCNSA-N 0 0 446.459 4.087 50 0 IIAARN COc1cccc(NC(=O)[C@H](OC(=O)[C@H](C)n2c3ccccc3oc2=O)c2ccccc2)c1 ZINC000014162413 569157934 /nfs/dbraw/zinc/15/79/34/569157934.db2.gz NCMFGGGOAGXVEN-KSFYIVLOSA-N 0 0 446.459 4.087 50 0 IIAARN O=C(NC1CCN(Cn2nc(NC3CCCCC3)sc2=S)CC1)c1ccccc1 ZINC000014226020 569158267 /nfs/dbraw/zinc/15/82/67/569158267.db2.gz GYZPSQFXGFUISO-UHFFFAOYSA-N 0 0 431.631 4.271 50 0 IIAARN COc1ccc(NC(=O)NCCC(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000014370718 569158829 /nfs/dbraw/zinc/15/88/29/569158829.db2.gz NAFJPPJJCSAMKU-UHFFFAOYSA-N 0 0 439.541 4.055 50 0 IIAARN COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000014423169 569159072 /nfs/dbraw/zinc/15/90/72/569159072.db2.gz QSRZSFYBLHITDR-GOSISDBHSA-N 0 0 442.581 4.160 50 0 IIAARN Cc1ccc(C(=O)N/C(=C/C2=Cc3ccccc3O[C@H]2C)C(=O)NCc2ccco2)cc1 ZINC000016712977 569160134 /nfs/dbraw/zinc/16/01/34/569160134.db2.gz QNVNSTQHYKHEFX-FSTGKYBXSA-N 0 0 428.488 4.383 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC000014663547 569161243 /nfs/dbraw/zinc/16/12/43/569161243.db2.gz XJXRAKCUQJZFGL-QZTJIDSGSA-N 0 0 438.524 4.202 50 0 IIAARN C[C@H](CNC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1)c1ccccc1 ZINC000016841587 569163365 /nfs/dbraw/zinc/16/33/65/569163365.db2.gz XLHYBBNFPRAWDY-MRXNPFEDSA-N 0 0 431.565 4.376 50 0 IIAARN COc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccn3)no2)cc1 ZINC000016842993 569163590 /nfs/dbraw/zinc/16/35/90/569163590.db2.gz FHBSHUAHKURNAO-UHFFFAOYSA-N 0 0 449.517 4.193 50 0 IIAARN COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016945221 569166914 /nfs/dbraw/zinc/16/69/14/569166914.db2.gz LYXMAZDZRMDYGD-IBGZPJMESA-N 0 0 435.954 4.355 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000016954571 569167447 /nfs/dbraw/zinc/16/74/47/569167447.db2.gz NRNJTZZQEBBQAP-UHFFFAOYSA-N 0 0 428.535 4.151 50 0 IIAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c12 ZINC000016992976 569169876 /nfs/dbraw/zinc/16/98/76/569169876.db2.gz SVZSXTVQEBMMHC-IBGZPJMESA-N 0 0 446.532 4.019 50 0 IIAARN Cc1cc(NC(=O)C2CCCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011831 569170480 /nfs/dbraw/zinc/17/04/80/569170480.db2.gz MNGRBBLATIYWSN-UHFFFAOYSA-N 0 0 435.919 4.482 50 0 IIAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017012586 569170582 /nfs/dbraw/zinc/17/05/82/569170582.db2.gz ZNJXGZGZCWXMET-UHFFFAOYSA-N 0 0 437.931 4.153 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037355934 569171214 /nfs/dbraw/zinc/17/12/14/569171214.db2.gz VLHCDQIRZVYNAE-UHFFFAOYSA-N 0 0 430.842 4.163 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)c(F)c4)ncn3)C[C@H]2C)cc1 ZINC000037355917 569171267 /nfs/dbraw/zinc/17/12/67/569171267.db2.gz KGBZPTNPBKDUDW-MRXNPFEDSA-N 0 0 438.478 4.460 50 0 IIAARN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000017040935 569171510 /nfs/dbraw/zinc/17/15/10/569171510.db2.gz QTHJVNWOPWCIOT-DEOSSOPVSA-N 0 0 443.547 4.017 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000017050741 569171733 /nfs/dbraw/zinc/17/17/33/569171733.db2.gz NWVXLOVYKZMFTH-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nn2)cc1 ZINC000017051756 569171866 /nfs/dbraw/zinc/17/18/66/569171866.db2.gz MAHAYCGFYQDNAC-UHFFFAOYSA-N 0 0 445.544 4.476 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)cc4F)ncn3)CC2)cc1 ZINC000037356570 569172292 /nfs/dbraw/zinc/17/22/92/569172292.db2.gz QDNYBLWFBGRZHE-UHFFFAOYSA-N 0 0 442.878 4.032 50 0 IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@@H]1CCCO1)nc2-c1ccc(Cl)cc1 ZINC000037357674 569174760 /nfs/dbraw/zinc/17/47/60/569174760.db2.gz PWZMMTGGGBJZSD-SFHVURJKSA-N 0 0 434.931 4.368 50 0 IIAARN CC(=O)NCC(=O)N(Cc1ccccc1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000008984283 569174768 /nfs/dbraw/zinc/17/47/68/569174768.db2.gz RRCJOPAYZIFUQX-UHFFFAOYSA-N 0 0 435.568 4.110 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)Nc1ccccc1F ZINC000017179060 569175663 /nfs/dbraw/zinc/17/56/63/569175663.db2.gz NNMUAHVCOUMJGZ-UHFFFAOYSA-N 0 0 441.553 4.004 50 0 IIAARN O=C1OC2(CCCCC2)O[C@@H]2[C@@H]1OC1(CCCCC1)O[C@H]2[C@@H]1COC2(CCCCC2)O1 ZINC000017185865 569175699 /nfs/dbraw/zinc/17/56/99/569175699.db2.gz FYYJIKCHOSINIH-MUGJNUQGSA-N 0 0 436.545 4.109 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NC[C@H]1CCCO1)nc2-c1ccc(Cl)cc1 ZINC000037358470 569176165 /nfs/dbraw/zinc/17/61/65/569176165.db2.gz GHZVQPRQLOYLMN-QGZVFWFLSA-N 0 0 438.894 4.448 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C)cc(C(F)(F)F)n1 ZINC000001059075 569176590 /nfs/dbraw/zinc/17/65/90/569176590.db2.gz SIERPTBDEMSUAY-UHFFFAOYSA-N 0 0 433.477 4.390 50 0 IIAARN Cn1c(COc2ccccc2Cl)nnc1SC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170635880 569176867 /nfs/dbraw/zinc/17/68/67/569176867.db2.gz ZMJQBNIYKBDOBP-CQSZACIVSA-N 0 0 438.981 4.397 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002874560 569177583 /nfs/dbraw/zinc/17/75/83/569177583.db2.gz FDLGANNOFJVGCT-UHFFFAOYSA-N 0 0 426.354 4.396 50 0 IIAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc1 ZINC000002092519 569178780 /nfs/dbraw/zinc/17/87/80/569178780.db2.gz CKNSWDIHDRNAMV-BVAGGSTKSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000002093116 569178970 /nfs/dbraw/zinc/17/89/70/569178970.db2.gz IZHOCFDORLAAIP-UHFFFAOYSA-N 0 0 449.503 4.465 50 0 biogenic IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)c1 ZINC000002100343 569179701 /nfs/dbraw/zinc/17/97/01/569179701.db2.gz KOBGQMNALPPRKQ-OZXSUGGESA-N 0 0 443.547 4.194 50 0 biogenic IIAARN COc1cc(CNc2cccc(-c3nncn3C)c2)cc(Br)c1OC(F)F ZINC000237241570 569180133 /nfs/dbraw/zinc/18/01/33/569180133.db2.gz NDAZKQVCJIANAC-UHFFFAOYSA-N 0 0 439.260 4.467 50 0 IIAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC[C@H]1CCCO1)nc2-c1ccccc1F ZINC000037360154 569181455 /nfs/dbraw/zinc/18/14/55/569181455.db2.gz UQSFRZPJXYDTPF-OAHLLOKOSA-N 0 0 438.894 4.448 50 0 IIAARN COCCNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037361031 569181563 /nfs/dbraw/zinc/18/15/63/569181563.db2.gz XJJOKGZUNQJWSX-UHFFFAOYSA-N 0 0 429.311 4.430 50 0 IIAARN CCCCN1CC(=O)N2[C@H](c3ccccc3OCC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002108776 569181667 /nfs/dbraw/zinc/18/16/67/569181667.db2.gz UZMOZZFPGBQDGR-SQJMNOBHSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)c(C)c2oc1=O ZINC000002121649 569183533 /nfs/dbraw/zinc/18/35/33/569183533.db2.gz GZWHLEJPGZGPNY-UHFFFAOYSA-N 0 0 438.476 4.176 50 0 biogenic IIAARN CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002146893 569187005 /nfs/dbraw/zinc/18/70/05/569187005.db2.gz PCPOTVNJWYZOOC-UHFFFAOYSA-N 0 0 428.444 4.436 50 0 biogenic IIAARN COc1cccc([C@H](O)CNC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000252511562 569188701 /nfs/dbraw/zinc/18/87/01/569188701.db2.gz HZAGFLZZQOKFIY-DBXWQHBBSA-N 0 0 427.932 4.349 50 0 IIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000017364800 569189015 /nfs/dbraw/zinc/18/90/15/569189015.db2.gz XCDSZCRYWASIAU-UHFFFAOYSA-N 0 0 441.539 4.320 50 0 IIAARN COCCN(CCC(=O)NCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383466 569192006 /nfs/dbraw/zinc/19/20/06/569192006.db2.gz YPRXEPJKVTWMTP-UHFFFAOYSA-N 0 0 430.508 4.049 50 0 IIAARN CCN1CCN(C(=O)CCn2c3ccccc3nc2Cc2c(Cl)cccc2Cl)CC1 ZINC000037396916 569192973 /nfs/dbraw/zinc/19/29/73/569192973.db2.gz CAWLUBRRBLMFJH-UHFFFAOYSA-N 0 0 445.394 4.488 50 0 IIAARN COc1ccccc1-n1c(C)nnc1SCc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000037397771 569193765 /nfs/dbraw/zinc/19/37/65/569193765.db2.gz ZVBYNDHSZJJWKK-UHFFFAOYSA-N 0 0 445.548 4.202 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1cccc(C)c1 ZINC000037399031 569194170 /nfs/dbraw/zinc/19/41/70/569194170.db2.gz FOKPHPODTMXCJH-UHFFFAOYSA-N 0 0 432.543 4.348 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000037399377 569194421 /nfs/dbraw/zinc/19/44/21/569194421.db2.gz UZCPXJKPEVMSEX-UHFFFAOYSA-N 0 0 432.971 4.425 50 0 IIAARN CC(=O)N(Cc1ccc(F)cc1)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037399874 569194766 /nfs/dbraw/zinc/19/47/66/569194766.db2.gz XKYDLKIMTGYPAQ-UHFFFAOYSA-N 0 0 431.460 4.281 50 0 IIAARN COc1ccc(CN(CC(C)C)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)C(C)C ZINC000037399969 569194837 /nfs/dbraw/zinc/19/48/37/569194837.db2.gz RCIWKIVQJKSSMA-UHFFFAOYSA-N 0 0 437.533 4.250 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(Cc3ccc(F)cc3)C(C)=O)cc2)cc1 ZINC000037401299 569195127 /nfs/dbraw/zinc/19/51/27/569195127.db2.gz ZIXBQLBTBBJINE-UHFFFAOYSA-N 0 0 443.496 4.151 50 0 IIAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CCOC)C(=O)c1ccccc1Cl ZINC000037422933 569195564 /nfs/dbraw/zinc/19/55/64/569195564.db2.gz WZAJZXUPGMLHOE-UHFFFAOYSA-N 0 0 446.352 4.011 50 0 IIAARN CCCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037437815 569196398 /nfs/dbraw/zinc/19/63/98/569196398.db2.gz BFLCVLUGSWCEMS-UHFFFAOYSA-N 0 0 442.541 4.047 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000037444268 569197190 /nfs/dbraw/zinc/19/71/90/569197190.db2.gz BKBPDPHOZQJTBF-FXABVQRQSA-N 0 0 446.551 4.253 50 0 IIAARN O=C(NCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037523737 569198675 /nfs/dbraw/zinc/19/86/75/569198675.db2.gz NDOVWBSFZMZWLF-UHFFFAOYSA-N 0 0 431.511 4.155 50 0 IIAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2 ZINC000037602557 569202609 /nfs/dbraw/zinc/20/26/09/569202609.db2.gz MOZTUOCOGFAROC-SBUREZEXSA-N 0 0 426.532 4.248 50 0 IIAARN CC(C)CN(C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 ZINC000037609336 569202908 /nfs/dbraw/zinc/20/29/08/569202908.db2.gz MNBAFPRVKJLOAF-NRFANRHFSA-N 0 0 432.923 4.119 50 0 IIAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncn2)c1 ZINC000037623907 569203443 /nfs/dbraw/zinc/20/34/43/569203443.db2.gz UISHCRGGGMAKKZ-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN O=c1c(=Cc2ccccc2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252673990 569210143 /nfs/dbraw/zinc/21/01/43/569210143.db2.gz RSRANSZACLZMEK-HSZRJFAPSA-N 0 0 442.565 4.086 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3ccccc31)CCCC2 ZINC000003244832 569211438 /nfs/dbraw/zinc/21/14/38/569211438.db2.gz XCZHKPCBROTLBX-UHFFFAOYSA-N 0 0 427.551 4.478 50 0 IIAARN CCCOC(=O)c1c(N)n(-c2ccc(C(=O)OCCC)cc2)c2nc3ccccc3nc21 ZINC000002235342 569212086 /nfs/dbraw/zinc/21/20/86/569212086.db2.gz FMZRAOZDCWSCFM-UHFFFAOYSA-N 0 0 432.480 4.290 50 0 IIAARN COc1ccc(S(=O)(=O)c2cn(Cc3ccc(C)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000002693470 569212652 /nfs/dbraw/zinc/21/26/52/569212652.db2.gz AMVBJZDOKASAGO-UHFFFAOYSA-N 0 0 449.528 4.208 50 0 IIAARN O=C(N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000027469143 569215353 /nfs/dbraw/zinc/21/53/53/569215353.db2.gz LIQMPHUQXGTJQJ-CYBMUJFWSA-N 0 0 438.167 4.148 50 0 IIAARN COc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)NC2CCCCC2)cc1 ZINC000002277471 569217993 /nfs/dbraw/zinc/21/79/93/569217993.db2.gz YKONGGFJDSMZJJ-HSZRJFAPSA-N 0 0 434.540 4.358 50 0 IIAARN CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000027520631 569218136 /nfs/dbraw/zinc/21/81/36/569218136.db2.gz LYKTVRGFVSUHIC-SIQOOTDXSA-N 0 0 437.495 4.357 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000027521014 569218338 /nfs/dbraw/zinc/21/83/38/569218338.db2.gz OMUXXBVRCRNRLB-XKZIYDEJSA-N 0 0 444.487 4.450 50 0 IIAARN CC(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 ZINC000033469930 569257611 /nfs/dbraw/zinc/25/76/11/569257611.db2.gz COKYYNCXGADZHN-BDAWRBPVSA-N 0 0 434.573 4.434 50 0 IIAARN O=C(CCCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002285725 569263866 /nfs/dbraw/zinc/26/38/66/569263866.db2.gz GRNDJPJPSBXPTH-UHFFFAOYSA-N 0 0 435.476 4.284 50 0 IIAARN CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)N(C)c4ccccc4)nc(N)c23)CO1 ZINC000002289681 569264393 /nfs/dbraw/zinc/26/43/93/569264393.db2.gz HWTFCMRQVPAVMO-OAHLLOKOSA-N 0 0 428.583 4.126 50 0 IIAARN CC[C@@H]1CN(CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079513 569265023 /nfs/dbraw/zinc/26/50/23/569265023.db2.gz ZQHRMISFEYQSCR-DOJUMQAQSA-N 0 0 437.565 4.108 50 0 IIAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000253414220 569266173 /nfs/dbraw/zinc/26/61/73/569266173.db2.gz WUUARYRCZUTHBL-QHCPKHFHSA-N 0 0 445.519 4.440 50 0 biogenic IIAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002295770 569268261 /nfs/dbraw/zinc/26/82/61/569268261.db2.gz KUYYRCUBCVTSQC-RGEXLXHISA-N 0 0 439.876 4.452 50 0 IIAARN Cc1ccc([C@H](NC(=O)CCc2cc(Br)cs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000253432942 569269278 /nfs/dbraw/zinc/26/92/78/569269278.db2.gz QBWGCSMXEDYRKX-FZKQIMNGSA-N 0 0 444.416 4.042 50 0 IIAARN Cc1ccc([C@H](NC(=O)CCc2cc(Br)cs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000253432943 569269281 /nfs/dbraw/zinc/26/92/81/569269281.db2.gz QBWGCSMXEDYRKX-SCLBCKFNSA-N 0 0 444.416 4.042 50 0 IIAARN Cc1ccc([C@@H](NC(=O)CCc2cc(Br)cs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000253432941 569269283 /nfs/dbraw/zinc/26/92/83/569269283.db2.gz QBWGCSMXEDYRKX-ACJLOTCBSA-N 0 0 444.416 4.042 50 0 IIAARN CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F ZINC000002300533 569271447 /nfs/dbraw/zinc/27/14/47/569271447.db2.gz PVIAYCWZBIBVPJ-SFHVURJKSA-N 0 0 448.800 4.460 50 0 IIAARN COc1ccc(CCn2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002351261 569282805 /nfs/dbraw/zinc/28/28/05/569282805.db2.gz ITPFGADOEXKFBE-UHFFFAOYSA-N 0 0 443.551 4.481 50 0 IIAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000018150852 569284987 /nfs/dbraw/zinc/28/49/87/569284987.db2.gz AEISKKZUOJOWFH-UHFFFAOYSA-N 0 0 430.476 4.428 50 0 IIAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002361396 569287668 /nfs/dbraw/zinc/28/76/68/569287668.db2.gz CXHANFUULXCAGS-FQEVSTJZSA-N 0 0 435.476 4.201 50 0 IIAARN Cc1cc(OC(=O)CCNC(=O)OCc2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002371250 569288965 /nfs/dbraw/zinc/28/89/65/569288965.db2.gz ZKUNAXCTNCAOJJ-UHFFFAOYSA-N 0 0 435.476 4.202 50 0 IIAARN CC[C@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 ZINC000002377973 569289521 /nfs/dbraw/zinc/28/95/21/569289521.db2.gz FUYBFPJIZLOSBF-HNNXBMFYSA-N 0 0 448.523 4.382 50 0 IIAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002394221 569298057 /nfs/dbraw/zinc/29/80/57/569298057.db2.gz UAPIBKCVZHHLAR-LJQANCHMSA-N 0 0 435.476 4.201 50 0 IIAARN CC(C)[C@@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)Nc4ccccc4)nc(N)c32)CO1 ZINC000002405745 569300134 /nfs/dbraw/zinc/30/01/34/569300134.db2.gz PLEDFWZFKLWVJA-WFASDCNBSA-N 0 0 428.583 4.490 50 0 IIAARN CCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000002409828 569300485 /nfs/dbraw/zinc/30/04/85/569300485.db2.gz UIDBGUNUFJCQIE-UHFFFAOYSA-N 0 0 432.480 4.274 50 0 IIAARN Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccc(N)c1 ZINC000002411044 569300911 /nfs/dbraw/zinc/30/09/11/569300911.db2.gz XQYPKZOEIIQCGC-UHFFFAOYSA-N 0 0 429.549 4.062 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002413916 569301220 /nfs/dbraw/zinc/30/12/20/569301220.db2.gz IRIOLGPMUWUHSC-JXFKEZNVSA-N 0 0 425.868 4.179 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000002414737 569301362 /nfs/dbraw/zinc/30/13/62/569301362.db2.gz JHSXLLRMDVIMQX-KXBFYZLASA-N 0 0 440.293 4.280 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000002414738 569301384 /nfs/dbraw/zinc/30/13/84/569301384.db2.gz JHSXLLRMDVIMQX-HNAYVOBHSA-N 0 0 440.293 4.280 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002422051 569302162 /nfs/dbraw/zinc/30/21/62/569302162.db2.gz WBERIEISFLWTRJ-UHFFFAOYSA-N 0 0 446.507 4.495 50 0 IIAARN COc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c(O)c1 ZINC000002433927 569303413 /nfs/dbraw/zinc/30/34/13/569303413.db2.gz SIOWSDNEJDAWPP-UHFFFAOYSA-N 0 0 427.251 4.151 50 0 IIAARN O=C(OCc1ccco1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000012042898 569303644 /nfs/dbraw/zinc/30/36/44/569303644.db2.gz JQRYABOCXYZXHF-UHFFFAOYSA-N 0 0 428.032 4.268 50 0 IIAARN CCc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)cs2)cc1 ZINC000012997488 569306083 /nfs/dbraw/zinc/30/60/83/569306083.db2.gz LELKOZOOVRZFRZ-UHFFFAOYSA-N 0 0 439.556 4.478 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nn2)n1 ZINC000013010024 569306703 /nfs/dbraw/zinc/30/67/03/569306703.db2.gz HDALAORGHQSIGG-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(F)c(F)c(F)c1F ZINC000013011135 569306890 /nfs/dbraw/zinc/30/68/90/569306890.db2.gz GZKGJASWBLGWML-UHFFFAOYSA-N 0 0 437.418 4.455 50 0 IIAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)Nc1ccccc1 ZINC000013063585 569308777 /nfs/dbraw/zinc/30/87/77/569308777.db2.gz BFKRTVATLSTNNU-UHFFFAOYSA-N 0 0 446.528 4.164 50 0 IIAARN C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013096548 569309607 /nfs/dbraw/zinc/30/96/07/569309607.db2.gz ZLHPNAKIPKWHOM-CYBMUJFWSA-N 0 0 432.448 4.428 50 0 IIAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000013114729 569310795 /nfs/dbraw/zinc/31/07/95/569310795.db2.gz BUUZBAQFTSAPJW-UHFFFAOYSA-N 0 0 431.521 4.002 50 0 IIAARN COc1cccc2cc(C(=O)Nc3nc4ccc(Br)cc4s3)c(=O)oc21 ZINC000013117248 569310968 /nfs/dbraw/zinc/31/09/68/569310968.db2.gz PXZGASAVRFHRCD-UHFFFAOYSA-N 0 0 431.267 4.426 50 0 IIAARN CC1(C)Cc2cccc(OCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2O1 ZINC000013120853 569311132 /nfs/dbraw/zinc/31/11/32/569311132.db2.gz VAFKNMVOSDTGAK-UHFFFAOYSA-N 0 0 432.524 4.403 50 0 IIAARN Cc1cc(OCC(=O)OCC(=O)N[C@H](C)c2ccccc2Br)ccc1Cl ZINC000013125896 569311150 /nfs/dbraw/zinc/31/11/50/569311150.db2.gz QQDVWNXKYANDSW-CYBMUJFWSA-N 0 0 440.721 4.210 50 0 IIAARN CCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 ZINC000013137455 569311523 /nfs/dbraw/zinc/31/15/23/569311523.db2.gz DVMBFTDQFURJGR-UHFFFAOYSA-N 0 0 429.567 4.265 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000013149253 569312177 /nfs/dbraw/zinc/31/21/77/569312177.db2.gz SZXGJLYOGKHGGS-UHFFFAOYSA-N 0 0 430.533 4.121 50 0 IIAARN Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1C ZINC000013354848 569313433 /nfs/dbraw/zinc/31/34/33/569313433.db2.gz HTUOBTIVXFEPOV-QGZVFWFLSA-N 0 0 443.619 4.320 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000013354606 569313437 /nfs/dbraw/zinc/31/34/37/569313437.db2.gz GOSJCDKDSOTFEJ-UHFFFAOYSA-N 0 0 448.592 4.357 50 0 IIAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000013356050 569313639 /nfs/dbraw/zinc/31/36/39/569313639.db2.gz WNIRRPUDJDLLIY-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013361017 569313961 /nfs/dbraw/zinc/31/39/61/569313961.db2.gz XTSVUIRINYDDAV-UHFFFAOYSA-N 0 0 431.517 4.405 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)cc1 ZINC000013367967 569314460 /nfs/dbraw/zinc/31/44/60/569314460.db2.gz DWBZDKDYIHMNCO-UHFFFAOYSA-N 0 0 434.521 4.414 50 0 IIAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)c4ccccc4F)c3)cc2=O)s1 ZINC000013368001 569314480 /nfs/dbraw/zinc/31/44/80/569314480.db2.gz XNPKBIZZMOYDNL-UHFFFAOYSA-N 0 0 438.484 4.245 50 0 IIAARN CCc1nn2c(nc(COc3cccc(NC(=O)[C@@H](CC)c4ccccc4)c3)cc2=O)s1 ZINC000013368118 569314490 /nfs/dbraw/zinc/31/44/90/569314490.db2.gz BXXOEVJNTLIRGP-FQEVSTJZSA-N 0 0 448.548 4.425 50 0 IIAARN Cc1ccc(OC2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)CC2)nc1 ZINC000328593742 569317464 /nfs/dbraw/zinc/31/74/64/569317464.db2.gz DHKKCFAAQQMYMO-UHFFFAOYSA-N 0 0 442.313 4.090 50 0 IIAARN CC(C)c1c(NC(=O)Cn2c3ccccc3nc2C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000078737045 569318734 /nfs/dbraw/zinc/31/87/34/569318734.db2.gz NOSTXNGGLOOJDX-UHFFFAOYSA-N 0 0 429.524 4.165 50 0 IIAARN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1nnc(CC2CCCC2)s1 ZINC000078751555 569318896 /nfs/dbraw/zinc/31/88/96/569318896.db2.gz JCHAYTQHUNUSPJ-SFHVURJKSA-N 0 0 443.617 4.026 50 0 IIAARN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000078814412 569319289 /nfs/dbraw/zinc/31/92/89/569319289.db2.gz ZMXDXZRDDCYJFB-DHIUTWEWSA-N 0 0 430.589 4.176 50 0 IIAARN COCCOc1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000078899398 569320113 /nfs/dbraw/zinc/32/01/13/569320113.db2.gz SYMKSIYEEFMGRQ-UHFFFAOYSA-N 0 0 432.561 4.108 50 0 IIAARN Cc1cc([C@@](C)(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(C)o1 ZINC000078939906 569320315 /nfs/dbraw/zinc/32/03/15/569320315.db2.gz CGFBGKVZCUHRCB-QHCPKHFHSA-N 0 0 441.528 4.441 50 0 IIAARN C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000078985884 569321277 /nfs/dbraw/zinc/32/12/77/569321277.db2.gz PNEWYAPDZCSALU-KRWDZBQOSA-N 0 0 437.544 4.115 50 0 IIAARN COc1ccc([C@H](CNC(=O)CCc2nc([C@@H](C)OC)no2)c2c[nH]c3ccccc32)cc1 ZINC000079018076 569322212 /nfs/dbraw/zinc/32/22/12/569322212.db2.gz DLKASEKYROMDRJ-UZLBHIALSA-N 0 0 448.523 4.148 50 0 IIAARN Cc1cc(C(=O)N2CCN([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)c(C)o1 ZINC000079023366 569322660 /nfs/dbraw/zinc/32/26/60/569322660.db2.gz LBONPNALAPQJHU-QHCPKHFHSA-N 0 0 442.519 4.494 50 0 IIAARN Cn1cc([C@H]2CN(C(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)CCO2)cn1 ZINC000079050417 569323247 /nfs/dbraw/zinc/32/32/47/569323247.db2.gz UTFHBPIVJHYKRT-HXUWFJFHSA-N 0 0 430.533 4.424 50 0 IIAARN Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c(C)nc2ncnn2c1C)c1ccccc1 ZINC000079070806 569324506 /nfs/dbraw/zinc/32/45/06/569324506.db2.gz SXEZGCZSFHRBKN-QHCPKHFHSA-N 0 0 443.551 4.227 50 0 IIAARN COc1ccc(OC)c(-c2csc(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)n2)c1 ZINC000079093168 569325261 /nfs/dbraw/zinc/32/52/61/569325261.db2.gz KGLZXIQHXZHQJU-UHFFFAOYSA-N 0 0 435.546 4.317 50 0 IIAARN O=C(Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1)N[C@H]1CCCNC1=O ZINC000079110531 569325999 /nfs/dbraw/zinc/32/59/99/569325999.db2.gz OGSCJUBQCVOFOM-AWEZNQCLSA-N 0 0 445.342 4.126 50 0 IIAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000079188279 569327825 /nfs/dbraw/zinc/32/78/25/569327825.db2.gz HGRVYFIKNDRHIZ-NFBKMPQASA-N 0 0 438.476 4.292 50 0 biogenic IIAARN COc1ccc(-c2noc(CCCC(=O)Nc3cc(OC)c(Cl)cc3OC)n2)cc1 ZINC000019816420 569329961 /nfs/dbraw/zinc/32/99/61/569329961.db2.gz QXLUBWCRJNRPQC-UHFFFAOYSA-N 0 0 431.876 4.377 50 0 IIAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)COc1ccc(C)cc1 ZINC000019855440 569330614 /nfs/dbraw/zinc/33/06/14/569330614.db2.gz LZFNLYPRNKBOBZ-UHFFFAOYSA-N 0 0 442.519 4.391 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCCC2 ZINC000079479319 569330885 /nfs/dbraw/zinc/33/08/85/569330885.db2.gz INJLPCKCNBTPJB-HXUWFJFHSA-N 0 0 439.581 4.159 50 0 IIAARN CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000002463288 569331678 /nfs/dbraw/zinc/33/16/78/569331678.db2.gz VQXYJWSCKBITQW-YWZLYKJASA-N 0 0 446.569 4.474 50 0 IIAARN COc1ccc(OC)c([C@H](c2c([O-])[nH]c(=S)[nH]c2=O)[N@H+](Cc2ccccc2)C(C)C)c1 ZINC000020156080 569353781 /nfs/dbraw/zinc/35/37/81/569353781.db2.gz KKHHRKMRHNLQAP-HXUWFJFHSA-N 0 0 441.553 4.155 50 0 IIAARN CCOC(=O)C[C@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1cccs1 ZINC000020216281 569356690 /nfs/dbraw/zinc/35/66/90/569356690.db2.gz CGRRTHRPWQLLFX-IBGZPJMESA-N 0 0 440.565 4.461 50 0 IIAARN COc1cc(OC)c(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1Cl ZINC000020280363 569358614 /nfs/dbraw/zinc/35/86/14/569358614.db2.gz SUBFBQHARRHRCN-UHFFFAOYSA-N 0 0 430.888 4.007 50 0 IIAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020365858 569361956 /nfs/dbraw/zinc/36/19/56/569361956.db2.gz JHJUPRADLVWAQP-UHFFFAOYSA-N 0 0 449.864 4.210 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000020377694 569362289 /nfs/dbraw/zinc/36/22/89/569362289.db2.gz GAUMKNAKBGFIHY-JOCHJYFZSA-N 0 0 445.544 4.072 50 0 IIAARN C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)N1C(=S)N=NC1c1cccs1 ZINC000095409575 569365171 /nfs/dbraw/zinc/36/51/71/569365171.db2.gz XIWQSICFOFVJRT-ZDUSSCGKSA-N 0 0 441.607 4.339 50 0 IIAARN C[C@H](C(=O)NCCc1csc(-c2ccccc2)n1)N1C(=S)N=NC1c1cccs1 ZINC000095409576 569365199 /nfs/dbraw/zinc/36/51/99/569365199.db2.gz XIWQSICFOFVJRT-CYBMUJFWSA-N 0 0 441.607 4.339 50 0 IIAARN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)cc2)o1 ZINC000095431425 569366231 /nfs/dbraw/zinc/36/62/31/569366231.db2.gz WVAGTGXPKQTDJX-UHFFFAOYSA-N 0 0 444.460 4.215 50 0 IIAARN CCOC(=O)C[C@@H](OC(=O)Cc1csc(CC)n1)c1ccc(Br)cc1 ZINC000095444260 569366986 /nfs/dbraw/zinc/36/69/86/569366986.db2.gz CEFXIPNWTVUIMX-OAHLLOKOSA-N 0 0 426.332 4.248 50 0 IIAARN CC(C)c1ccc([C@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 ZINC000095449529 569367628 /nfs/dbraw/zinc/36/76/28/569367628.db2.gz HUWXIUHXIROHFX-HXUWFJFHSA-N 0 0 435.611 4.349 50 0 IIAARN CN(Cc1noc(C2CC2)n1)[C@H]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000095457983 569369081 /nfs/dbraw/zinc/36/90/81/569369081.db2.gz CUXKROLKCGAALF-ZDUSSCGKSA-N 0 0 434.924 4.301 50 0 IIAARN Cc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000095482321 569374376 /nfs/dbraw/zinc/37/43/76/569374376.db2.gz JJWLQGKLYKNKBT-CQSZACIVSA-N 0 0 430.302 4.233 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000095483641 569374631 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443.849 4.301 50 0 IIAARN CCCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)C1 ZINC000096011879 569379899 /nfs/dbraw/zinc/37/98/99/569379899.db2.gz PIRRZNJGNSDFED-PKTZIBPZSA-N 0 0 433.552 4.002 50 0 IIAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)CCOc3ccccc3)ccc21 ZINC000096025629 569380807 /nfs/dbraw/zinc/38/08/07/569380807.db2.gz JMJNOEPHTAJGSF-UHFFFAOYSA-N 0 0 436.533 4.100 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096115418 569383316 /nfs/dbraw/zinc/38/33/16/569383316.db2.gz WTVXFUSPTNZDQU-XUZZJYLKSA-N 0 0 441.439 4.096 50 0 biogenic IIAARN CC(C)n1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096116406 569383820 /nfs/dbraw/zinc/38/38/20/569383820.db2.gz RYDPNESHDRKPPM-OAHLLOKOSA-N 0 0 432.432 4.090 50 0 biogenic IIAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3n(C)c2=O)S1 ZINC000096117282 569384081 /nfs/dbraw/zinc/38/40/81/569384081.db2.gz PRUWJVJQVNMZJR-KXBFYZLASA-N 0 0 438.553 4.045 50 0 IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117870 569384212 /nfs/dbraw/zinc/38/42/12/569384212.db2.gz BTSMELNPFURBIT-LRDDRELGSA-N 0 0 439.484 4.095 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1OC ZINC000096119055 569384517 /nfs/dbraw/zinc/38/45/17/569384517.db2.gz GYLYARVWCNMJNM-IQIBNGDESA-N 0 0 425.510 4.235 50 0 IIAARN O=C(c1ccc(CNS(=O)(=O)c2ccc(Br)s2)s1)c1ccccc1 ZINC000096119889 569384825 /nfs/dbraw/zinc/38/48/25/569384825.db2.gz QCQDHBJWRUNNAZ-UHFFFAOYSA-N 0 0 442.381 4.282 50 0 IIAARN O=C(Cc1c(F)cccc1Cl)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000096120399 569384940 /nfs/dbraw/zinc/38/49/40/569384940.db2.gz NUEBVQBIIDPYRJ-UHFFFAOYSA-N 0 0 428.891 4.436 50 0 IIAARN CC(=O)c1cccc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)ncn3)CC2)c1 ZINC000096124034 569385423 /nfs/dbraw/zinc/38/54/23/569385423.db2.gz DKYJXKSNVWRCLH-UHFFFAOYSA-N 0 0 439.519 4.478 50 0 IIAARN COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096222560 569387152 /nfs/dbraw/zinc/38/71/52/569387152.db2.gz DAHOWRPOKVPCDF-IBGZPJMESA-N 0 0 442.423 4.393 50 0 biogenic IIAARN COCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1cccc(C)c1 ZINC000096276684 569388673 /nfs/dbraw/zinc/38/86/73/569388673.db2.gz IIUQFCLSMYBPDT-UHFFFAOYSA-N 0 0 431.492 4.220 50 0 IIAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000096277705 569388864 /nfs/dbraw/zinc/38/88/64/569388864.db2.gz URPMQUBWJJLISG-UHFFFAOYSA-N 0 0 436.443 4.252 50 0 IIAARN CCCN1c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N=C1c1cccc(C)c1 ZINC000096287401 569390308 /nfs/dbraw/zinc/39/03/08/569390308.db2.gz IIKCHQHFGUGUHQ-UHFFFAOYSA-N 0 0 425.554 4.489 50 0 IIAARN COCCNC(=O)c1ccccc1CSc1nnc(C(C)C)n1-c1ccc(F)cc1 ZINC000096288759 569390572 /nfs/dbraw/zinc/39/05/72/569390572.db2.gz MPZSDTYHEPJRBV-UHFFFAOYSA-N 0 0 428.533 4.198 50 0 IIAARN COCc1nnc(SCc2ccccc2C(=O)NCC(C)C)n1-c1ccc(F)cc1 ZINC000096289662 569390807 /nfs/dbraw/zinc/39/08/07/569390807.db2.gz QBJQEJSVPQDRPG-UHFFFAOYSA-N 0 0 428.533 4.231 50 0 IIAARN COCc1nnc(SCc2ccccc2C(=O)NCC(C)C)n1-c1ccccc1F ZINC000096290760 569391026 /nfs/dbraw/zinc/39/10/26/569391026.db2.gz YOVUHFLHNGNLOS-UHFFFAOYSA-N 0 0 428.533 4.231 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccccc3Cl)c2=O)c1 ZINC000096318277 569393813 /nfs/dbraw/zinc/39/38/13/569393813.db2.gz FVWPSFJAFNFEJB-UHFFFAOYSA-N 0 0 433.895 4.061 50 0 IIAARN COc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1OC ZINC000096320566 569394051 /nfs/dbraw/zinc/39/40/51/569394051.db2.gz RBSMXFZYIDRLID-UHFFFAOYSA-N 0 0 429.520 4.269 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)N[C@@H](C)CC)n4ccn3n2)cc1 ZINC000096322373 569394559 /nfs/dbraw/zinc/39/45/59/569394559.db2.gz DTTWQSJWGFFAKC-KRWDZBQOSA-N 0 0 434.544 4.070 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCc3c(sc4nc(-c5ccc(C)cc5)nn34)C2)c1 ZINC000096323849 569395479 /nfs/dbraw/zinc/39/54/79/569395479.db2.gz HTNHGQMFMUIFOV-UHFFFAOYSA-N 0 0 449.536 4.374 50 0 IIAARN CC[C@H](C(=O)N1CCc2c(c(-c3nc(-c4ccccc4F)no3)nn2C)C1)c1ccccc1 ZINC000096331486 569396437 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CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000058155208 569448884 /nfs/dbraw/zinc/44/88/84/569448884.db2.gz XIHZIMILZJWLFS-QFIPXVFZSA-N 0 0 432.549 4.158 50 0 IIAARN CCOC(=O)C[C@@H](NC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccc1OC ZINC000058159706 569449166 /nfs/dbraw/zinc/44/91/66/569449166.db2.gz VYZGBKZIPJXBTH-MRXNPFEDSA-N 0 0 428.510 4.453 50 0 IIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000058162976 569449368 /nfs/dbraw/zinc/44/93/68/569449368.db2.gz RJPPJUJSDCXDHM-UHFFFAOYSA-N 0 0 447.310 4.292 50 0 IIAARN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)C1 ZINC000058171252 569449587 /nfs/dbraw/zinc/44/95/87/569449587.db2.gz UZQJBJKIIZJPND-MRXNPFEDSA-N 0 0 431.558 4.142 50 0 IIAARN COc1ccc(CC(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000003416191 569450194 /nfs/dbraw/zinc/45/01/94/569450194.db2.gz RWWSJXJXFHHFPQ-UHFFFAOYSA-N 0 0 449.459 4.336 50 0 IIAARN CC(=O)c1cc(Br)cc(Br)c1OCC(=O)N1CCC[C@@H](C)C1 ZINC000003417479 569450265 /nfs/dbraw/zinc/45/02/65/569450265.db2.gz BXOFCDBHIOKYKY-SNVBAGLBSA-N 0 0 433.140 4.052 50 0 IIAARN CSc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2s1 ZINC000003421155 569450410 /nfs/dbraw/zinc/45/04/10/569450410.db2.gz LUSFYYSOFRBTCS-UHFFFAOYSA-N 0 0 447.607 4.058 50 0 IIAARN COc1cc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2C)C(C)C)cc(OC)c1OC ZINC000003427736 569450635 /nfs/dbraw/zinc/45/06/35/569450635.db2.gz HTBIASKVFIMVCM-IBGZPJMESA-N 0 0 434.920 4.067 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1OC ZINC000003433703 569450925 /nfs/dbraw/zinc/45/09/25/569450925.db2.gz UFGNMISOVCPOSB-UHFFFAOYSA-N 0 0 435.299 4.491 50 0 IIAARN CSc1nn(-c2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(=S)s1 ZINC000003437435 569451063 /nfs/dbraw/zinc/45/10/63/569451063.db2.gz CGLFNMVUPVUOLE-STQMWFEESA-N 0 0 437.612 4.331 50 0 IIAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000003447961 569451430 /nfs/dbraw/zinc/45/14/30/569451430.db2.gz DIYODLVDMHQROL-IVCQMTBJSA-N 0 0 435.451 4.295 50 0 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Cc1ccc(-c2nc(C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)cs2)o1 ZINC000031272965 569455522 /nfs/dbraw/zinc/45/55/22/569455522.db2.gz RKLSZRLEEDCJRQ-MRXNPFEDSA-N 0 0 426.498 4.264 50 0 IIAARN COCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031305658 569455673 /nfs/dbraw/zinc/45/56/73/569455673.db2.gz GAXWXFMTAHCWLN-HSZRJFAPSA-N 0 0 430.548 4.367 50 0 IIAARN CCc1ccc(S(=O)(=O)N(C(C)=O)c2cc3sc(=O)oc3c3ccccc32)cc1 ZINC000003653860 569455712 /nfs/dbraw/zinc/45/57/12/569455712.db2.gz FQRBRPPASZXENQ-UHFFFAOYSA-N 0 0 427.503 4.312 50 0 IIAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@@H]1c1nc3ccccc3s1)C2=O ZINC000031390292 569456224 /nfs/dbraw/zinc/45/62/24/569456224.db2.gz GKWODEOQFKQHQH-LJQANCHMSA-N 0 0 433.533 4.345 50 0 IIAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000031903578 569458307 /nfs/dbraw/zinc/45/83/07/569458307.db2.gz HCRAXNPOIXTPSR-NRFANRHFSA-N 0 0 432.568 4.201 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc1C ZINC000031940839 569458418 /nfs/dbraw/zinc/45/84/18/569458418.db2.gz OUJWCVVFWZPWRB-HSZRJFAPSA-N 0 0 435.549 4.477 50 0 IIAARN Cc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083226 569458728 /nfs/dbraw/zinc/45/87/28/569458728.db2.gz IQSMSZODEQNKIB-IDISGSTGSA-N 0 0 427.548 4.450 50 0 biogenic IIAARN CCCCOc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 ZINC000004089431 569458899 /nfs/dbraw/zinc/45/88/99/569458899.db2.gz HMOQKZGJBJYKQF-UHFFFAOYSA-N 0 0 425.481 4.479 50 0 biogenic IIAARN Cc1cc(C)c2c(n1)oc1c2ncn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O ZINC000032074864 569459441 /nfs/dbraw/zinc/45/94/41/569459441.db2.gz CGODVCJIUURQJU-UHFFFAOYSA-N 0 0 438.487 4.060 50 0 IIAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1 ZINC000032091797 569459570 /nfs/dbraw/zinc/45/95/70/569459570.db2.gz CUDPIIFMUKRINM-INIZCTEOSA-N 0 0 441.285 4.493 50 0 IIAARN COC(=O)c1nn(-c2ccc(Br)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032092470 569459648 /nfs/dbraw/zinc/45/96/48/569459648.db2.gz XNANNFVRUONYMJ-UHFFFAOYSA-N 0 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COC(=O)[C@](Nc1ccc(C)c(Cl)c1)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F ZINC000008399263 569463276 /nfs/dbraw/zinc/46/32/76/569463276.db2.gz WMBHUQAOMRADGA-GOSISDBHSA-N 0 0 433.810 4.414 50 0 IIAARN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)c(OC)c1 ZINC000038546164 569463453 /nfs/dbraw/zinc/46/34/53/569463453.db2.gz IBEZEZDJHLPUPD-NRFANRHFSA-N 0 0 442.537 4.341 50 0 IIAARN COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)c(OC)c1 ZINC000038546163 569463500 /nfs/dbraw/zinc/46/35/00/569463500.db2.gz IBEZEZDJHLPUPD-OAQYLSRUSA-N 0 0 442.537 4.341 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208514 569464686 /nfs/dbraw/zinc/46/46/86/569464686.db2.gz LUKWYUYAPLFUJJ-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1cccc(Cl)c1 ZINC000067208452 569464710 /nfs/dbraw/zinc/46/47/10/569464710.db2.gz XICGWJUARCUEJU-UHFFFAOYSA-N 0 0 429.867 4.003 50 0 IIAARN CC(C)c1cccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)c1 ZINC000067208617 569464740 /nfs/dbraw/zinc/46/47/40/569464740.db2.gz GAFVFCJBNYJLHV-UHFFFAOYSA-N 0 0 437.503 4.473 50 0 IIAARN Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21 ZINC000067235780 569465402 /nfs/dbraw/zinc/46/54/02/569465402.db2.gz BNEOAKNOSSJPCX-UHFFFAOYSA-N 0 0 427.291 4.348 50 0 IIAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000038654104 569465768 /nfs/dbraw/zinc/46/57/68/569465768.db2.gz KFANCCYMHAKZOU-UHFFFAOYSA-N 0 0 444.507 4.411 50 0 IIAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(OC)cc3OC)n2)cc1 ZINC000067257526 569466089 /nfs/dbraw/zinc/46/60/89/569466089.db2.gz DPPWOPWHICSGDE-UHFFFAOYSA-N 0 0 425.510 4.209 50 0 IIAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccc3c(c2)OCO3)c1 ZINC000067258950 569466214 /nfs/dbraw/zinc/46/62/14/569466214.db2.gz UFEGEHSHUGYCGX-UHFFFAOYSA-N 0 0 448.500 4.424 50 0 IIAARN COc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(C(C)C)cc3)cc2c1=O ZINC000067260962 569466490 /nfs/dbraw/zinc/46/64/90/569466490.db2.gz BNGJCKDJSWUKHI-UHFFFAOYSA-N 0 0 444.535 4.002 50 0 IIAARN CC(=O)c1ccc(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc43)CC2)cc1 ZINC000067263356 569466669 /nfs/dbraw/zinc/46/66/69/569466669.db2.gz VKJFVPGYGSOACE-UHFFFAOYSA-N 0 0 448.530 4.474 50 0 IIAARN CCN1C(=S)c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C1(C)C ZINC000008497817 569466723 /nfs/dbraw/zinc/46/67/23/569466723.db2.gz NRXZZRCMZPCLSQ-UHFFFAOYSA-N 0 0 435.592 4.182 50 0 IIAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000067292827 569467707 /nfs/dbraw/zinc/46/77/07/569467707.db2.gz KFNZNYSRSAZLIF-LTHSRMNQSA-N 0 0 442.899 4.245 50 0 IIAARN COc1cccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067299657 569468172 /nfs/dbraw/zinc/46/81/72/569468172.db2.gz CLDHJJOBVOJIKJ-INIZCTEOSA-N 0 0 442.585 4.057 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000067300556 569468217 /nfs/dbraw/zinc/46/82/17/569468217.db2.gz NNHFGZYBVSPRTL-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1CCO ZINC000067301582 569468318 /nfs/dbraw/zinc/46/83/18/569468318.db2.gz WIUSERIAWCIMQQ-UHFFFAOYSA-N 0 0 439.943 4.169 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)N[C@H](C)c3ccc(C)cc3)c2c(=O)n1CC(C)C ZINC000067320154 569468615 /nfs/dbraw/zinc/46/86/15/569468615.db2.gz IUGMJLOBTZFXLH-QGZVFWFLSA-N 0 0 426.586 4.070 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323435 569468763 /nfs/dbraw/zinc/46/87/63/569468763.db2.gz BKFQBYJCPTVDRR-UHFFFAOYSA-N 0 0 431.418 4.113 50 0 IIAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1c(C)cccc1C ZINC000067323624 569468764 /nfs/dbraw/zinc/46/87/64/569468764.db2.gz WWXGVAQRMGANNZ-UHFFFAOYSA-N 0 0 431.418 4.113 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1cc(Cl)ccc1C ZINC000067323351 569468787 /nfs/dbraw/zinc/46/87/87/569468787.db2.gz CQRSBODRZLIPBS-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1Cl ZINC000067334539 569468856 /nfs/dbraw/zinc/46/88/56/569468856.db2.gz UHVNPYPIQUSPIN-UHFFFAOYSA-N 0 0 440.887 4.020 50 0 IIAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1Cl ZINC000008647384 569469656 /nfs/dbraw/zinc/46/96/56/569469656.db2.gz DNERALULGJVSFN-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN Cc1cc(C(=O)COC(=O)CSc2nc(C)cc(C)n2)c(C)n1CCc1ccccc1 ZINC000008658832 569469711 /nfs/dbraw/zinc/46/97/11/569469711.db2.gz LSRPDVHLCHXEMA-UHFFFAOYSA-N 0 0 437.565 4.273 50 0 IIAARN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCC(c3ccccc3)CC2)cc1OC ZINC000008694230 569470015 /nfs/dbraw/zinc/47/00/15/569470015.db2.gz UPGSDCKPZIEJFC-QHCPKHFHSA-N 0 0 435.572 4.414 50 0 IIAARN Cc1ccsc1CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008705723 569470382 /nfs/dbraw/zinc/47/03/82/569470382.db2.gz AEUPDHBOBDZIBO-UHFFFAOYSA-N 0 0 437.521 4.108 50 0 IIAARN COc1cc(-c2nnc(CSc3ccc4c(c3)OCCCO4)o2)cc(OC)c1OC ZINC000008724149 569471970 /nfs/dbraw/zinc/47/19/70/569471970.db2.gz AQGCWKHIFNJWMX-UHFFFAOYSA-N 0 0 430.482 4.216 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008751699 569473445 /nfs/dbraw/zinc/47/34/45/569473445.db2.gz SZLCTYHMAYRDDC-SANMLTNESA-N 0 0 443.503 4.228 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CSC(=O)N2)cc1 ZINC000008752029 569473511 /nfs/dbraw/zinc/47/35/11/569473511.db2.gz AAWQCFKMBKBSOX-VQIMIIECSA-N 0 0 446.326 4.111 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2C)c1 ZINC000008753164 569473699 /nfs/dbraw/zinc/47/36/99/569473699.db2.gz FYIVTMDHLOKYJM-MRXNPFEDSA-N 0 0 436.581 4.339 50 0 IIAARN Cc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1C(C)C ZINC000008760427 569474235 /nfs/dbraw/zinc/47/42/35/569474235.db2.gz WUZIEOYTFRSABB-IBGZPJMESA-N 0 0 433.504 4.317 50 0 IIAARN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008765940 569474788 /nfs/dbraw/zinc/47/47/88/569474788.db2.gz HIUQJDVAOQMNPF-LSCVHKIXSA-N 0 0 430.957 4.461 50 0 IIAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000008777552 569475428 /nfs/dbraw/zinc/47/54/28/569475428.db2.gz DQZOHMPAEPCFRF-UHFFFAOYSA-N 0 0 427.504 4.386 50 0 IIAARN CCOC(=O)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008778586 569475528 /nfs/dbraw/zinc/47/55/28/569475528.db2.gz RFFYZEOTTIIAGJ-UHFFFAOYSA-N 0 0 437.443 4.468 50 0 IIAARN CCOC(=O)CNC(=S)Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000008781665 569475687 /nfs/dbraw/zinc/47/56/87/569475687.db2.gz BZLWGNRQXJOQQA-UHFFFAOYSA-N 0 0 433.839 4.396 50 0 IIAARN CC(=O)Nc1cc(C(=O)NC2CCC(C)CC2)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008813006 569476652 /nfs/dbraw/zinc/47/66/52/569476652.db2.gz QTLQHYUQSMDFBB-UHFFFAOYSA-N 0 0 448.972 4.440 50 0 IIAARN O=S(=O)(c1ccccc1)N1CN(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000008828365 569477825 /nfs/dbraw/zinc/47/78/25/569477825.db2.gz NJLQRPCRZRWAGZ-UHFFFAOYSA-N 0 0 436.924 4.456 50 0 IIAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 ZINC000008836638 569478116 /nfs/dbraw/zinc/47/81/16/569478116.db2.gz GBGNBTPTOSJQRJ-GFCCVEGCSA-N 0 0 438.329 4.447 50 0 IIAARN O=S(=O)(c1nc(-c2ccco2)oc1NCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000008844622 569478637 /nfs/dbraw/zinc/47/86/37/569478637.db2.gz NBWMIZXZEAVNQH-UHFFFAOYSA-N 0 0 432.889 4.120 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2c(C)nc3ccccc3c2=O)s1 ZINC000008850575 569479338 /nfs/dbraw/zinc/47/93/38/569479338.db2.gz CWECBXDKLZKMEW-UHFFFAOYSA-N 0 0 431.561 4.346 50 0 IIAARN CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000008850971 569479360 /nfs/dbraw/zinc/47/93/60/569479360.db2.gz GYKHHVCHVDKFCA-HNNXBMFYSA-N 0 0 438.557 4.083 50 0 IIAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)NCCc1cccs1 ZINC000008852297 569479476 /nfs/dbraw/zinc/47/94/76/569479476.db2.gz BNJOSEXCZFCLBG-UHFFFAOYSA-N 0 0 436.002 4.218 50 0 IIAARN COc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008852900 569479513 /nfs/dbraw/zinc/47/95/13/569479513.db2.gz PWAXITWBBQSELW-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN CCCCC(=O)N[C@](Nc1ccc(OC(F)(F)Cl)cc1)(C(=O)OCC)C(F)(F)F ZINC000008854910 569479698 /nfs/dbraw/zinc/47/96/98/569479698.db2.gz JVOYRLIEXFZYBW-OAHLLOKOSA-N 0 0 446.800 4.395 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1 ZINC000008855782 569479715 /nfs/dbraw/zinc/47/97/15/569479715.db2.gz DREHRTSBAZVGOC-GOSISDBHSA-N 0 0 427.526 4.107 50 0 IIAARN COc1ccc(N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000008857481 569479890 /nfs/dbraw/zinc/47/98/90/569479890.db2.gz MCLCZZCOBFYQFT-MRXNPFEDSA-N 0 0 449.307 4.021 50 0 IIAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)N1CCNC1=O ZINC000008861121 569479962 /nfs/dbraw/zinc/47/99/62/569479962.db2.gz WJVCOEGKVKXIOB-UHFFFAOYSA-N 0 0 449.580 4.171 50 0 IIAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000008861525 569480015 /nfs/dbraw/zinc/48/00/15/569480015.db2.gz XJYSRIOCNKKJDB-UHFFFAOYSA-N 0 0 429.524 4.046 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008862158 569480088 /nfs/dbraw/zinc/48/00/88/569480088.db2.gz BXSNLJPJWYSJPO-NRFANRHFSA-N 0 0 433.533 4.230 50 0 IIAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccsc4)c12)OC(C)(C)CC3 ZINC000008877029 569481106 /nfs/dbraw/zinc/48/11/06/569481106.db2.gz KIBVTURISLYVRW-UHFFFAOYSA-N 0 0 441.549 4.258 50 0 biogenic IIAARN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000008877400 569481215 /nfs/dbraw/zinc/48/12/15/569481215.db2.gz ZNFCMBWKKATJCN-UHFFFAOYSA-N 0 0 434.525 4.060 50 0 IIAARN Cc1ccc(Cn2ccc3nc(N4CCN(c5ccc(Cl)cc5)CC4)ncc3c2=O)cc1 ZINC000039404026 569481616 /nfs/dbraw/zinc/48/16/16/569481616.db2.gz KJKPLAFRJIJBIX-UHFFFAOYSA-N 0 0 445.954 4.128 50 0 IIAARN CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1 ZINC000039845272 569481907 /nfs/dbraw/zinc/48/19/07/569481907.db2.gz MVRDZGYLXUOTLI-UHFFFAOYSA-N 0 0 448.928 4.063 50 0 IIAARN C[C@H]1CN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000039845467 569481949 /nfs/dbraw/zinc/48/19/49/569481949.db2.gz PXEUKCDUGKSFTP-GJZGRUSLSA-N 0 0 432.929 4.441 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000039980497 569482175 /nfs/dbraw/zinc/48/21/75/569482175.db2.gz VOFFZUMQWPZAOT-UHFFFAOYSA-N 0 0 444.359 4.037 50 0 IIAARN COC(=O)c1ccccc1[C@@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)OC(C)C ZINC000039996859 569482415 /nfs/dbraw/zinc/48/24/15/569482415.db2.gz LGXXOCMREQXWDX-IBGZPJMESA-N 0 0 428.510 4.027 50 0 IIAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008882277 569482938 /nfs/dbraw/zinc/48/29/38/569482938.db2.gz WEUPNEQTDGFVIN-PXRHCINRSA-N 0 0 426.481 4.014 50 0 IIAARN CC(=O)N[C@@H](CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1)c1cccs1 ZINC000040032317 569483102 /nfs/dbraw/zinc/48/31/02/569483102.db2.gz PCNWQRVNTJHXCN-RDJZCZTQSA-N 0 0 429.567 4.137 50 0 IIAARN CCC(CC)NC(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000008888232 569483256 /nfs/dbraw/zinc/48/32/56/569483256.db2.gz ZDGGVPDFNQYEDB-UHFFFAOYSA-N 0 0 437.492 4.142 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000040040790 569483491 /nfs/dbraw/zinc/48/34/91/569483491.db2.gz NJJDYAJZANHCGA-KRWDZBQOSA-N 0 0 449.532 4.194 50 0 IIAARN O=C(Nc1n[nH]c(-c2cccc(Br)c2)n1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000040047344 569483712 /nfs/dbraw/zinc/48/37/12/569483712.db2.gz PKHRARKJNJVULG-QGZVFWFLSA-N 0 0 443.301 4.044 50 0 IIAARN O=C(CSc1ccccc1C(=O)NCCc1ccc(Cl)cc1)NCc1ccco1 ZINC000008899862 569484087 /nfs/dbraw/zinc/48/40/87/569484087.db2.gz KYWFTVAGMCQCAE-UHFFFAOYSA-N 0 0 428.941 4.314 50 0 IIAARN COc1cc(CCNC(=O)c2ccc(SCc3nc(C)no3)cc2)ccc1OC(F)F ZINC000040050212 569484150 /nfs/dbraw/zinc/48/41/50/569484150.db2.gz VMGQQRHIBBNVDF-UHFFFAOYSA-N 0 0 449.479 4.253 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(Sc1ncnc3ccccc31)n2CC ZINC000040051242 569484444 /nfs/dbraw/zinc/48/44/44/569484444.db2.gz UGCNEFADXHLIRP-UHFFFAOYSA-N 0 0 441.582 4.181 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1OC(F)F)c1ccccc1 ZINC000040051850 569484466 /nfs/dbraw/zinc/48/44/66/569484466.db2.gz OWQYNPGYOQZTOU-HXUWFJFHSA-N 0 0 425.431 4.373 50 0 IIAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058993 569484711 /nfs/dbraw/zinc/48/47/11/569484711.db2.gz YNZXIMXBCCNBHV-CVDCTZTESA-N 0 0 444.560 4.382 50 0 IIAARN COc1cc(OC)cc([C@H](NC(=O)COc2cccc(C(C)(C)C)c2)c2nccn2C)c1 ZINC000040058982 569484743 /nfs/dbraw/zinc/48/47/43/569484743.db2.gz QMXCOCMNHSHNEF-QHCPKHFHSA-N 0 0 437.540 4.019 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1OC1CCCC1 ZINC000040068296 569485100 /nfs/dbraw/zinc/48/51/00/569485100.db2.gz OXEWMJAIUZVEBU-UHFFFAOYSA-N 0 0 441.509 4.500 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000040071204 569485718 /nfs/dbraw/zinc/48/57/18/569485718.db2.gz UGZMJESQDQRSLI-LBPRGKRZSA-N 0 0 425.842 4.222 50 0 IIAARN CCCc1cc2c(cc1OC(=O)CNC(=O)OC(C)(C)C)occ(-c1ccccn1)c2=O ZINC000008917801 569486091 /nfs/dbraw/zinc/48/60/91/569486091.db2.gz SUBJZQPFPFTROB-UHFFFAOYSA-N 0 0 438.480 4.238 50 0 biogenic IIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(F)(F)F)C(=O)[C@]31C ZINC000008918389 569486281 /nfs/dbraw/zinc/48/62/81/569486281.db2.gz YKWVHFVGSQCOCI-NRFANRHFSA-N 0 0 429.398 4.435 50 0 biogenic IIAARN COc1ccc(Br)cc1/C=C/[C@]12NC(=O)CN1c1ccc(C)cc1C2(C)C ZINC000008918628 569486337 /nfs/dbraw/zinc/48/63/37/569486337.db2.gz FTESOXHWBXFCOL-CZQLGGELSA-N 0 0 427.342 4.403 50 0 biogenic IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(OCC)c2)N3)C1 ZINC000008921460 569486830 /nfs/dbraw/zinc/48/68/30/569486830.db2.gz FFTXWRHMVNQRPC-SFHVURJKSA-N 0 0 431.514 4.099 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1ccc(Cl)nc1)CC2 ZINC000008922675 569486943 /nfs/dbraw/zinc/48/69/43/569486943.db2.gz MZQWKGHMSNZCBP-JOCHJYFZSA-N 0 0 444.940 4.089 50 0 IIAARN O=C(CCN1C(=O)CSc2ccccc21)NCc1cccnc1Oc1cccc(F)c1 ZINC000040094263 569487527 /nfs/dbraw/zinc/48/75/27/569487527.db2.gz UBGQTIMAONGQEZ-UHFFFAOYSA-N 0 0 437.496 4.158 50 0 IIAARN Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](c3ccccc3)CC2=O)c1C ZINC000008931827 569487618 /nfs/dbraw/zinc/48/76/18/569487618.db2.gz RAJTZFNBMDTAKX-HSZRJFAPSA-N 0 0 448.544 4.194 50 0 IIAARN CCCSCCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933114 569487747 /nfs/dbraw/zinc/48/77/47/569487747.db2.gz IFAUOYNGOQKBIV-UHFFFAOYSA-N 0 0 448.592 4.049 50 0 IIAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c21 ZINC000008933148 569487748 /nfs/dbraw/zinc/48/77/48/569487748.db2.gz GNYBOURBTCGPMF-AUSIDOKSSA-N 0 0 442.563 4.403 50 0 IIAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)C1 ZINC000008933439 569487821 /nfs/dbraw/zinc/48/78/21/569487821.db2.gz DOOODCKSJMUSKA-ROUUACIJSA-N 0 0 446.526 4.043 50 0 IIAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3ccccc3c2)c(NCC(C)C)n1 ZINC000008942638 569488693 /nfs/dbraw/zinc/48/86/93/569488693.db2.gz YMIPJVPYTZASLT-UHFFFAOYSA-N 0 0 434.569 4.199 50 0 IIAARN Cc1nc2c(s1)c(-c1ccccc1)nn(CC(=O)Nc1ccc(C(F)(F)F)cc1)c2=O ZINC000008955006 569490047 /nfs/dbraw/zinc/49/00/47/569490047.db2.gz FTHNSKIANYXZKG-UHFFFAOYSA-N 0 0 444.438 4.486 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)Nc1ccc(F)cc1F)c2=O ZINC000008955102 569490116 /nfs/dbraw/zinc/49/01/16/569490116.db2.gz CKWNDKRSDMIGAR-UHFFFAOYSA-N 0 0 426.448 4.054 50 0 IIAARN COc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2sc(C)nc2c1=O ZINC000008955231 569490120 /nfs/dbraw/zinc/49/01/20/569490120.db2.gz WOYYQSKDMQYXRY-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN COc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2C)c2sc(C)nc2c1=O ZINC000008955774 569490179 /nfs/dbraw/zinc/49/01/79/569490179.db2.gz PMDIGPOFMJVDBT-UHFFFAOYSA-N 0 0 434.521 4.093 50 0 IIAARN CCc1ccc(-c2nn(CC(=O)Nc3ccccc3OC)c(=O)c3nc(C)sc32)cc1 ZINC000008956090 569490207 /nfs/dbraw/zinc/49/02/07/569490207.db2.gz NXJBHTAVGGKCTC-UHFFFAOYSA-N 0 0 434.521 4.038 50 0 IIAARN CC(C)CN1c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2OCC(C)(C)C1=O ZINC000008959067 569490310 /nfs/dbraw/zinc/49/03/10/569490310.db2.gz UPBQSFRKQVVHPK-UHFFFAOYSA-N 0 0 434.492 4.453 50 0 IIAARN CCCN1c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000008959632 569490326 /nfs/dbraw/zinc/49/03/26/569490326.db2.gz MSZMBWVCAYAWGQ-UHFFFAOYSA-N 0 0 442.512 4.126 50 0 IIAARN C[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040133391 569490452 /nfs/dbraw/zinc/49/04/52/569490452.db2.gz RNDPVMSJZLEKFD-JSGCOSHPSA-N 0 0 428.842 4.122 50 0 IIAARN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000040139218 569490799 /nfs/dbraw/zinc/49/07/99/569490799.db2.gz TZLGUDNMWVXIRZ-CZUORRHYSA-N 0 0 425.583 4.303 50 0 IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(COc2cccc(Br)c2)o1 ZINC000040140283 569491552 /nfs/dbraw/zinc/49/15/52/569491552.db2.gz CFFXXTPEXFIOLX-UHFFFAOYSA-N 0 0 428.242 4.043 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000008965739 569491565 /nfs/dbraw/zinc/49/15/65/569491565.db2.gz HPFRRGJTFKRUJP-UHFFFAOYSA-N 0 0 444.940 4.104 50 0 IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1 ZINC000008977236 569492931 /nfs/dbraw/zinc/49/29/31/569492931.db2.gz NNWBYKGIZMKXBI-UHFFFAOYSA-N 0 0 430.913 4.073 50 0 IIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008979766 569493124 /nfs/dbraw/zinc/49/31/24/569493124.db2.gz RXXTUPIXXBABLG-FQEVSTJZSA-N 0 0 446.576 4.082 50 0 IIAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000040157537 569494326 /nfs/dbraw/zinc/49/43/26/569494326.db2.gz CQKBGBWOQJEURA-UHFFFAOYSA-N 0 0 433.313 4.025 50 0 IIAARN COC(=O)c1c2c(sc1N1C(=O)C/C(=C\C3=Cc4ccccc4O[C@H]3C)C1=O)CCCC2 ZINC000008992444 569495397 /nfs/dbraw/zinc/49/53/97/569495397.db2.gz LQQUVXPQLFFCJT-IQGJIOQQSA-N 0 0 449.528 4.468 50 0 IIAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccncc3)ccc2c1=O ZINC000008993592 569495466 /nfs/dbraw/zinc/49/54/66/569495466.db2.gz RWLAWDJPHAMXQT-UHFFFAOYSA-N 0 0 432.432 4.397 50 0 IIAARN O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008995779 569495684 /nfs/dbraw/zinc/49/56/84/569495684.db2.gz AOJRFAHKRZZBJU-JJMMYFGJSA-N 0 0 439.508 4.315 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc2c(c1)CCC2 ZINC000009010773 569496418 /nfs/dbraw/zinc/49/64/18/569496418.db2.gz XBAJXGAUGSXPRF-UHFFFAOYSA-N 0 0 431.517 4.257 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000009013072 569496647 /nfs/dbraw/zinc/49/66/47/569496647.db2.gz MYCSDMQSSHIWLC-QWFCFKBJSA-N 0 0 440.286 4.440 50 0 IIAARN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F ZINC000040284492 569497933 /nfs/dbraw/zinc/49/79/33/569497933.db2.gz WFMSAMABSGJOLK-IBGZPJMESA-N 0 0 446.841 4.308 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(F)c(Cl)c2)c1 ZINC000040284975 569497973 /nfs/dbraw/zinc/49/79/73/569497973.db2.gz WTDKFAVAIVUUKC-LJQANCHMSA-N 0 0 428.851 4.168 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000009056176 569499003 /nfs/dbraw/zinc/49/90/03/569499003.db2.gz OKFMNSJASITKHL-UHFFFAOYSA-N 0 0 443.594 4.411 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N=c3[nH]c4ccccc4[nH]3)c(Cl)cc12 ZINC000009059646 569499404 /nfs/dbraw/zinc/49/94/04/569499404.db2.gz BXJWEWFJBCZEED-UHFFFAOYSA-N 0 0 425.872 4.105 50 0 IIAARN COc1ccc(CCNC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009071802 569500157 /nfs/dbraw/zinc/50/01/57/569500157.db2.gz BFHNAPCJPAZYHS-LJQANCHMSA-N 0 0 435.549 4.183 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1OC ZINC000009072161 569500201 /nfs/dbraw/zinc/50/02/01/569500201.db2.gz FZBVVPABZSKTRJ-MRXNPFEDSA-N 0 0 437.521 4.471 50 0 IIAARN COC(=O)[C@](NC(=O)c1ccc(C)cc1)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000009090036 569500978 /nfs/dbraw/zinc/50/09/78/569500978.db2.gz DTVMUTPAYGFGTR-IBGZPJMESA-N 0 0 437.443 4.187 50 0 IIAARN Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1Br ZINC000009092147 569501235 /nfs/dbraw/zinc/50/12/35/569501235.db2.gz HXTWGLZQPBRXEA-UHFFFAOYSA-N 0 0 425.739 4.246 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000009095515 569501368 /nfs/dbraw/zinc/50/13/68/569501368.db2.gz HLQJPRPXKFZLOM-HXUWFJFHSA-N 0 0 433.552 4.045 50 0 IIAARN CCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245257952 569501670 /nfs/dbraw/zinc/50/16/70/569501670.db2.gz IWFNHICHEJMBKX-HHJKRLRDSA-N 0 0 441.572 4.084 50 0 IIAARN Cc1nnc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)s1 ZINC000009101969 569501794 /nfs/dbraw/zinc/50/17/94/569501794.db2.gz KFPWDYUQBJYCAY-UHFFFAOYSA-N 0 0 441.463 4.201 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000009106828 569501846 /nfs/dbraw/zinc/50/18/46/569501846.db2.gz OHANOTMBUIKUCH-FQEVSTJZSA-N 0 0 449.619 4.365 50 0 IIAARN C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc2ccccc2c1 ZINC000009112883 569502456 /nfs/dbraw/zinc/50/24/56/569502456.db2.gz RXPVJIRIZSCURE-MRXNPFEDSA-N 0 0 443.594 4.115 50 0 IIAARN CC(C)n1c2ccccc2nc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000009112956 569502496 /nfs/dbraw/zinc/50/24/96/569502496.db2.gz UCUPICIQVXDYHU-UHFFFAOYSA-N 0 0 430.961 4.460 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCSc3nccn3C)cc12 ZINC000009115669 569502819 /nfs/dbraw/zinc/50/28/19/569502819.db2.gz ZIAWFAKSNIDOKB-UHFFFAOYSA-N 0 0 431.974 4.304 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)c1ccc(C[S@@](=O)c2ccccc2)o1 ZINC000009115629 569502832 /nfs/dbraw/zinc/50/28/32/569502832.db2.gz NPCLJSWECIWZHA-MHZLTWQESA-N 0 0 448.338 4.289 50 0 IIAARN Cc1nc2scc(-c3cccs3)c2c(SCC(=O)NC(=O)NCc2ccco2)n1 ZINC000009120160 569503759 /nfs/dbraw/zinc/50/37/59/569503759.db2.gz SVDYFUYBXLDXFU-UHFFFAOYSA-N 0 0 444.563 4.439 50 0 IIAARN CCOc1ccccc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC000069385713 569504113 /nfs/dbraw/zinc/50/41/13/569504113.db2.gz HTJYVBFWRBNQMI-IBGZPJMESA-N 0 0 430.932 4.011 50 0 IIAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009123821 569504177 /nfs/dbraw/zinc/50/41/77/569504177.db2.gz QHHOHSIWHLRUBO-VWLOTQADSA-N 0 0 441.487 4.284 50 0 IIAARN CCc1ccc([C@H]2c3c([nH]nc3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000009124677 569504353 /nfs/dbraw/zinc/50/43/53/569504353.db2.gz YNMDLKBKCXDTNA-QFIPXVFZSA-N 0 0 425.916 4.234 50 0 IIAARN CSc1nn(-c2ccc(C(=O)OCC(=O)N(C)C3CCCCC3)cc2)c(=S)s1 ZINC000009125930 569504756 /nfs/dbraw/zinc/50/47/56/569504756.db2.gz DBTMUDLECAKGDR-UHFFFAOYSA-N 0 0 437.612 4.333 50 0 IIAARN O=C(Cc1ccc(Br)cc1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000009128762 569505525 /nfs/dbraw/zinc/50/55/25/569505525.db2.gz IZTXIUDEWJUGIK-UHFFFAOYSA-N 0 0 447.642 4.023 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COc3ccc(-c4nnco4)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000009129036 569505665 /nfs/dbraw/zinc/50/56/65/569505665.db2.gz DMVOXFOFXFDSMS-OAQYLSRUSA-N 0 0 428.448 4.395 50 0 IIAARN COCCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C ZINC000009129673 569505774 /nfs/dbraw/zinc/50/57/74/569505774.db2.gz AWVSYVUHENPFEK-UHFFFAOYSA-N 0 0 445.519 4.438 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000040485103 569506824 /nfs/dbraw/zinc/50/68/24/569506824.db2.gz CVZRHSGEWFEMGT-QFIPXVFZSA-N 0 0 449.511 4.012 50 0 IIAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000009134588 569507028 /nfs/dbraw/zinc/50/70/28/569507028.db2.gz NJLBJVOFGNLPGX-UHFFFAOYSA-N 0 0 433.504 4.051 50 0 IIAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009144746 569507324 /nfs/dbraw/zinc/50/73/24/569507324.db2.gz JCSYEGRHRUEFKK-UHFFFAOYSA-N 0 0 446.569 4.058 50 0 IIAARN COc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3C3CC3)sc2c1 ZINC000009143279 569507334 /nfs/dbraw/zinc/50/73/34/569507334.db2.gz CLQAMAHTGNGEOU-UHFFFAOYSA-N 0 0 438.538 4.024 50 0 IIAARN CCOC(=O)c1cccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)c1 ZINC000009159589 569508676 /nfs/dbraw/zinc/50/86/76/569508676.db2.gz UHFMIEMYNIZHLH-CQSZACIVSA-N 0 0 432.480 4.288 50 0 IIAARN COc1ccc(OC)c(-c2noc(CSc3nnc(C)n3-c3ccc(F)cc3)n2)c1 ZINC000009185080 569510042 /nfs/dbraw/zinc/51/00/42/569510042.db2.gz SYKQUTXZNMHBNV-UHFFFAOYSA-N 0 0 427.461 4.074 50 0 IIAARN CCc1ccccc1-n1nnc2c(sc3nc(C)c(Br)c(COC)c32)c1=O ZINC000009185177 569510089 /nfs/dbraw/zinc/51/00/89/569510089.db2.gz WYADLRGYRPHGIC-UHFFFAOYSA-N 0 0 445.342 4.170 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009192129 569510703 /nfs/dbraw/zinc/51/07/03/569510703.db2.gz UWIDVIKPOUIBLX-NRFANRHFSA-N 0 0 444.418 4.172 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009193170 569510824 /nfs/dbraw/zinc/51/08/24/569510824.db2.gz JKZHKJGTUJRGAZ-NRFANRHFSA-N 0 0 426.428 4.033 50 0 IIAARN O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cccc(Br)c1 ZINC000009210886 569511693 /nfs/dbraw/zinc/51/16/93/569511693.db2.gz JWFQHICNKBIFGP-UHFFFAOYSA-N 0 0 442.136 4.214 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000009212100 569511989 /nfs/dbraw/zinc/51/19/89/569511989.db2.gz MBFUUJXSEVHSCG-INIZCTEOSA-N 0 0 426.538 4.461 50 0 IIAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCc4ccc5c(c4)OCCO5)cc3)o2)cc1 ZINC000009217170 569512237 /nfs/dbraw/zinc/51/22/37/569512237.db2.gz WWAHODHKFLXEHL-UHFFFAOYSA-N 0 0 441.487 4.456 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009217261 569512254 /nfs/dbraw/zinc/51/22/54/569512254.db2.gz HWGQATKKVGJATR-UHFFFAOYSA-N 0 0 441.258 4.271 50 0 IIAARN CC(=O)N(C)Cc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000009219338 569512439 /nfs/dbraw/zinc/51/24/39/569512439.db2.gz YDVUGWITZNCWBF-UHFFFAOYSA-N 0 0 434.565 4.157 50 0 IIAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NC[C@@H]1COc2ccccc2O1 ZINC000009222141 569512653 /nfs/dbraw/zinc/51/26/53/569512653.db2.gz ZLPPKAWOFYLDSI-OAHLLOKOSA-N 0 0 449.557 4.407 50 0 IIAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N(C)C)c1 ZINC000009225229 569513158 /nfs/dbraw/zinc/51/31/58/569513158.db2.gz VJVSTGQNIZICGK-AREMUKBSSA-N 0 0 439.515 4.477 50 0 IIAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009228206 569513577 /nfs/dbraw/zinc/51/35/77/569513577.db2.gz FOKDBKJLBZULCT-UHFFFAOYSA-N 0 0 441.553 4.445 50 0 IIAARN O=C(NCc1ccccc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238533 569514347 /nfs/dbraw/zinc/51/43/47/569514347.db2.gz GHPMIPYSZUKYDE-NHCUHLMSSA-N 0 0 445.523 4.160 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239064 569514392 /nfs/dbraw/zinc/51/43/92/569514392.db2.gz ZYKDDDJCICCLPZ-NHCUHLMSSA-N 0 0 437.569 4.254 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239071 569514401 /nfs/dbraw/zinc/51/44/01/569514401.db2.gz UQWUZFYFGPWNKN-SFTDATJTSA-N 0 0 437.569 4.254 50 0 IIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000009238858 569514411 /nfs/dbraw/zinc/51/44/11/569514411.db2.gz SRYZYCUAVQNCFZ-LEWJYISDSA-N 0 0 449.580 4.115 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009239199 569514444 /nfs/dbraw/zinc/51/44/44/569514444.db2.gz SHMFWIMBTROYRJ-MSOLQXFVSA-N 0 0 431.924 4.421 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009239122 569514448 /nfs/dbraw/zinc/51/44/48/569514448.db2.gz RXQWDCDLAWMXGH-MOPGFXCFSA-N 0 0 443.960 4.290 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(OCC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239520 569514571 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CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)cc2C1 ZINC000009512359 569542913 /nfs/dbraw/zinc/54/29/13/569542913.db2.gz VEKMUPKVZLNWBP-CVEARBPZSA-N 0 0 439.581 4.099 50 0 IIAARN CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)cc2C1 ZINC000009512354 569542949 /nfs/dbraw/zinc/54/29/49/569542949.db2.gz VEKMUPKVZLNWBP-JKSUJKDBSA-N 0 0 439.581 4.099 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000009512290 569542951 /nfs/dbraw/zinc/54/29/51/569542951.db2.gz XMBOYGYBBMBJBL-HSZRJFAPSA-N 0 0 438.487 4.083 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c(C)n1CCc1cccs1 ZINC000009512796 569543016 /nfs/dbraw/zinc/54/30/16/569543016.db2.gz GFTMURAGHAJBOJ-RUZDIDTESA-N 0 0 449.576 4.367 50 0 IIAARN O=C(Nc1nc2ccc(F)cc2s1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009514495 569543232 /nfs/dbraw/zinc/54/32/32/569543232.db2.gz LTJCBHTVQRHVBX-UHFFFAOYSA-N 0 0 430.464 4.446 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CCCC1 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431.308 4.224 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 ZINC000009600044 569551433 /nfs/dbraw/zinc/55/14/33/569551433.db2.gz VNJYUNCOGCFZAP-UHFFFAOYSA-N 0 0 428.539 4.092 50 0 IIAARN CCOc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000009601091 569551560 /nfs/dbraw/zinc/55/15/60/569551560.db2.gz QGUJCMJNTLOOMO-UHFFFAOYSA-N 0 0 446.475 4.198 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC[C@H](C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000009602303 569551677 /nfs/dbraw/zinc/55/16/77/569551677.db2.gz SJJDDKMWQDLQFO-RIEVBORMSA-N 0 0 445.563 4.354 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccc4c(c3)OCO4)c12 ZINC000009610384 569552501 /nfs/dbraw/zinc/55/25/01/569552501.db2.gz BDBDPSSOMVYTHJ-UHFFFAOYSA-N 0 0 434.883 4.349 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)CC1 ZINC000009610394 569552523 /nfs/dbraw/zinc/55/25/23/569552523.db2.gz JUNSTIVXHYTIHI-UHFFFAOYSA-N 0 0 440.931 4.106 50 0 IIAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCCO4)c1 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CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccccc3)CC2)n1 ZINC000035925535 521538911 /nfs/dbraw/zinc/53/89/11/521538911.db2.gz QEKTWEJDBAKZKV-UHFFFAOYSA-N 0 0 440.551 4.121 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c1 ZINC000032960243 521541628 /nfs/dbraw/zinc/54/16/28/521541628.db2.gz NAIMOBLAIPJCOQ-GOSISDBHSA-N 0 0 436.512 4.180 50 0 IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)CCC3CCCC3)c2)C(C(=O)OC)=C1C ZINC000035729693 521542456 /nfs/dbraw/zinc/54/24/56/521542456.db2.gz CLPBUSVXRIRTFI-OAQYLSRUSA-N 0 0 429.586 4.294 50 0 IIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000035925405 521542595 /nfs/dbraw/zinc/54/25/95/521542595.db2.gz WECQZATUWLNDGA-UHFFFAOYSA-N 0 0 440.551 4.039 50 0 IIAARN CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000021835268 521682971 /nfs/dbraw/zinc/68/29/71/521682971.db2.gz LRIVEQDPQLJDGQ-UHFFFAOYSA-N 0 0 428.598 4.143 50 0 IIAARN CCNC(=O)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000012522867 521738526 /nfs/dbraw/zinc/73/85/26/521738526.db2.gz QXWQMAWFXBHMIM-UHFFFAOYSA-N 0 0 449.473 4.463 50 0 IIAARN CCNC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)CC(C)C ZINC000035808278 521739207 /nfs/dbraw/zinc/73/92/07/521739207.db2.gz ISYAXCACSNIDHC-UHFFFAOYSA-N 0 0 445.585 4.002 50 0 IIAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NC(C)C)cnc2n1CCc1ccccn1 ZINC000014543384 521762211 /nfs/dbraw/zinc/76/22/11/521762211.db2.gz LMHMETDUQWIUFU-UHFFFAOYSA-N 0 0 435.528 4.020 50 0 IIAARN CCSc1nc2n(n1)[C@@H](c1ccccc1F)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000033085387 521786712 /nfs/dbraw/zinc/78/67/12/521786712.db2.gz GBLJKUPEUREHLB-IBGZPJMESA-N 0 0 439.516 4.465 50 0 IIAARN CCSc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)s1 ZINC000022240540 521796333 /nfs/dbraw/zinc/79/63/33/521796333.db2.gz QJEMODVOQXHHGE-LLVKDONJSA-N 0 0 448.517 4.049 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1cn2ccc(C)cc2n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000069484615 521853198 /nfs/dbraw/zinc/85/31/98/521853198.db2.gz NKMJCJVHBCIBLF-FDDCHVKYSA-N 0 0 433.556 4.026 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563761 521868614 /nfs/dbraw/zinc/86/86/14/521868614.db2.gz LVGFLHNSWRIUSN-FQEVSTJZSA-N 0 0 433.487 4.236 50 0 IIAARN CCc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012775439 521908724 /nfs/dbraw/zinc/90/87/24/521908724.db2.gz GHJWMAVEQQEYRK-UHFFFAOYSA-N 0 0 426.563 4.310 50 0 IIAARN CCc1ccccc1S(=O)(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399333 521926711 /nfs/dbraw/zinc/92/67/11/521926711.db2.gz PQDQGYQTIKYVNX-UHFFFAOYSA-N 0 0 425.529 4.284 50 0 biogenic IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccc(C)c1 ZINC000012409340 522058460 /nfs/dbraw/zinc/05/84/60/522058460.db2.gz XBTVKHSCXZOJDB-UHFFFAOYSA-N 0 0 440.565 4.453 50 0 IIAARN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1 ZINC000012930098 522089842 /nfs/dbraw/zinc/08/98/42/522089842.db2.gz VDRLMPBNEOGJIH-UHFFFAOYSA-N 0 0 446.503 4.126 50 0 IIAARN COc1cc(C(=O)OCC(=O)NCCSc2ccc(Cl)cc2)ccc1OC(F)F ZINC000012911830 522170298 /nfs/dbraw/zinc/17/02/98/522170298.db2.gz AFEBOQDFNUFRRM-UHFFFAOYSA-N 0 0 445.871 4.015 50 0 IIAARN COc1cc(C(C)=O)ccc1COc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1OC ZINC000012565186 522174559 /nfs/dbraw/zinc/17/45/59/522174559.db2.gz DDZOLENGQVBIPS-HXUWFJFHSA-N 0 0 426.465 4.154 50 0 IIAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)CSc1ccncc1)C2 ZINC000011909334 522253814 /nfs/dbraw/zinc/25/38/14/522253814.db2.gz HCAHCZMZSSHNRC-SFHVURJKSA-N 0 0 448.544 4.056 50 0 IIAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000035684896 522278922 /nfs/dbraw/zinc/27/89/22/522278922.db2.gz BRINFHDYPBDHMD-KRWDZBQOSA-N 0 0 438.871 4.470 50 0 IIAARN COc1cc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc(OC)c1OC ZINC000015669887 522341298 /nfs/dbraw/zinc/34/12/98/522341298.db2.gz OTKGAWZCOKUEQO-UHFFFAOYSA-N 0 0 446.459 4.061 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)c1cccs1 ZINC000035946711 522452269 /nfs/dbraw/zinc/45/22/69/522452269.db2.gz GWXLUWWVSUEAEJ-FQEVSTJZSA-N 0 0 439.487 4.476 50 0 IIAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)C1CCCC1 ZINC000035946724 522452360 /nfs/dbraw/zinc/45/23/60/522452360.db2.gz ZBTLBXVBVHHEES-QFIPXVFZSA-N 0 0 425.479 4.291 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NCCNC(=O)c2ccc(C)cc2)n1 ZINC000036025940 522469025 /nfs/dbraw/zinc/46/90/25/522469025.db2.gz DJZTWPBTAQMQQS-UHFFFAOYSA-N 0 0 428.540 4.145 50 0 IIAARN CCc1nc2cc(C(=O)NC3CCCCC3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000012219005 522483980 /nfs/dbraw/zinc/48/39/80/522483980.db2.gz DHMBZDSUOSLVQS-UHFFFAOYSA-N 0 0 434.540 4.459 50 0 IIAARN COc1cc(Cl)c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1OC ZINC000012813797 522527363 /nfs/dbraw/zinc/52/73/63/522527363.db2.gz GXUHBVCAWYKYMI-UHFFFAOYSA-N 0 0 427.888 4.046 50 0 IIAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)no1 ZINC000012448668 522560267 /nfs/dbraw/zinc/56/02/67/522560267.db2.gz ZWOYSECFJMBXHH-KRWDZBQOSA-N 0 0 441.793 4.344 50 0 IIAARN CCc1nn2c(nc(CNc3ccc(Br)c(C(F)(F)F)c3)cc2=O)s1 ZINC000021698979 522706835 /nfs/dbraw/zinc/70/68/35/522706835.db2.gz TYBXDOWENMJDPJ-UHFFFAOYSA-N 0 0 433.253 4.107 50 0 IIAARN COc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c(OC)cc1NC(=O)c1ccccc1 ZINC000012295171 522711948 /nfs/dbraw/zinc/71/19/48/522711948.db2.gz RMOTVAZJKHELJM-NPMXOYFQSA-N 0 0 448.475 4.123 50 0 IIAARN COc1cc(NC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)cc(OC)c1 ZINC000021917183 522721441 /nfs/dbraw/zinc/72/14/41/522721441.db2.gz GOURSBZOYLTJGW-UHFFFAOYSA-N 0 0 429.476 4.023 50 0 IIAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035977960 522733689 /nfs/dbraw/zinc/73/36/89/522733689.db2.gz AUDLOKWJJJTDKY-OAQYLSRUSA-N 0 0 435.524 4.033 50 0 IIAARN CN(CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)c1ccccc1 ZINC000035398346 522755739 /nfs/dbraw/zinc/75/57/39/522755739.db2.gz FDANGQPACMILPK-UHFFFAOYSA-N 0 0 429.568 4.003 50 0 IIAARN CC[C@@H](NC(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000014977859 522778731 /nfs/dbraw/zinc/77/87/31/522778731.db2.gz BALMHNIPSYJUDX-JOCHJYFZSA-N 0 0 428.504 4.105 50 0 IIAARN COc1cc(OC)c(OC)cc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012558207 522824130 /nfs/dbraw/zinc/82/41/30/522824130.db2.gz GWOLPNXGQLOCLH-UHFFFAOYSA-N 0 0 429.476 4.253 50 0 IIAARN COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC ZINC000020892670 522831786 /nfs/dbraw/zinc/83/17/86/522831786.db2.gz HMADECMXAUMYQA-QFIPXVFZSA-N 0 0 439.537 4.290 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1ccc(OC)cc1OC ZINC000012557699 522868918 /nfs/dbraw/zinc/86/89/18/522868918.db2.gz LDNSCNHJNSDWLX-HXUWFJFHSA-N 0 0 430.501 4.034 50 0 IIAARN COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1ccccc1OC(C)C ZINC000001077283 522899616 /nfs/dbraw/zinc/89/96/16/522899616.db2.gz NNKYINLIAVTQKK-UHFFFAOYSA-N 0 0 427.522 4.249 50 0 IIAARN COc1cc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCCN24)c(Cl)cc1O ZINC000012754134 522926324 /nfs/dbraw/zinc/92/63/24/522926324.db2.gz NHEWGEORJAUUIV-REIDKSKDSA-N 0 0 426.944 4.035 50 0 IIAARN COc1cc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCC5)cc(OC)c1OC ZINC000012296764 522926846 /nfs/dbraw/zinc/92/68/46/522926846.db2.gz OGAAXLDNNNRKOJ-KRWDZBQOSA-N 0 0 436.460 4.322 50 0 biogenic IIAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3cc4c(C)coc4cc3oc1=O)CC2 ZINC000012902930 523028430 /nfs/dbraw/zinc/02/84/30/523028430.db2.gz CRHMDUVESHPJLI-UHFFFAOYSA-N 0 0 447.487 4.301 50 0 biogenic IIAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012137443 523040412 /nfs/dbraw/zinc/04/04/12/523040412.db2.gz OTGBUIVVIXEVKX-JOCHJYFZSA-N 0 0 430.570 4.356 50 0 IIAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N(C)Cc3ccccc3)CC(C)C)no2)cc1 ZINC000035992975 523093393 /nfs/dbraw/zinc/09/33/93/523093393.db2.gz CZTCQBPKXPNGSK-UHFFFAOYSA-N 0 0 449.551 4.497 50 0 IIAARN COc1ccc(-c2cc(C(=O)OCc3cc(=O)n4ccccc4n3)c3ccccc3n2)cc1 ZINC000012795112 523103174 /nfs/dbraw/zinc/10/31/74/523103174.db2.gz JOIPXKRVQUUMED-UHFFFAOYSA-N 0 0 437.455 4.275 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)NCc4ccc(Cl)cc4)c(=O)c3s2)cc1 ZINC000012760933 523125047 /nfs/dbraw/zinc/12/50/47/523125047.db2.gz NVMCWOMVPWWREV-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000022697060 523139137 /nfs/dbraw/zinc/13/91/37/523139137.db2.gz PFFXZPUXQZAFKO-XMMPIXPASA-N 0 0 437.971 4.447 50 0 IIAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(C(C)=O)cc4)ccc3n2)cc1 ZINC000020605172 523144204 /nfs/dbraw/zinc/14/42/04/523144204.db2.gz PQFOHBGWFSKROL-UHFFFAOYSA-N 0 0 432.505 4.338 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccccc2Cl)cc1OC ZINC000035685301 523152498 /nfs/dbraw/zinc/15/24/98/523152498.db2.gz LYWQXHHOTXPVAD-INIZCTEOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)s2)cc1 ZINC000022355934 523192818 /nfs/dbraw/zinc/19/28/18/523192818.db2.gz DWOIJAHKMAKDCH-UHFFFAOYSA-N 0 0 436.537 4.079 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cccc(C)c4)CC3)s2)cc1OC ZINC000012515648 523194147 /nfs/dbraw/zinc/19/41/47/523194147.db2.gz IVAMBYTYNLQSHI-UHFFFAOYSA-N 0 0 437.565 4.407 50 0 IIAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000033064331 523199306 /nfs/dbraw/zinc/19/93/06/523199306.db2.gz USACRZKTMJQSCS-UHFFFAOYSA-N 0 0 436.537 4.328 50 0 IIAARN COc1ccc(-c2nc(COc3ccc(CCO)cc3-n3nc4ccccc4n3)co2)cc1 ZINC000022842494 523211495 /nfs/dbraw/zinc/21/14/95/523211495.db2.gz LJAPVYNHMOEHME-UHFFFAOYSA-N 0 0 442.475 4.198 50 0 IIAARN COc1ccc(-c2nc(CSc3nnc(C4CCCCC4)n3N)cs2)cc1OC ZINC000021285414 523214674 /nfs/dbraw/zinc/21/46/74/523214674.db2.gz PQKAFZMJURGUNN-UHFFFAOYSA-N 0 0 431.587 4.473 50 0 IIAARN CCn1c(SCC(=O)OCc2cn3cc(C)ccc3n2)nnc1-c1ccc(Cl)cc1 ZINC000012547316 523232103 /nfs/dbraw/zinc/23/21/03/523232103.db2.gz UKWKZCXOIOJWPH-UHFFFAOYSA-N 0 0 441.944 4.410 50 0 IIAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)Oc4cccnc4)ccc3Cl)o2)cc1 ZINC000015867746 523250669 /nfs/dbraw/zinc/25/06/69/523250669.db2.gz GTMXZTSCKXYPBU-UHFFFAOYSA-N 0 0 443.868 4.228 50 0 IIAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)CSc4ccncc4)cc3)o2)cc1 ZINC000033308307 523251558 /nfs/dbraw/zinc/25/15/58/523251558.db2.gz MORPTSMMRCPTQW-UHFFFAOYSA-N 0 0 448.504 4.450 50 0 IIAARN CCn1c2ccccc2c2cc(-n3c(SCC(N)=O)nc4ccccc4c3=O)ccc21 ZINC000022572042 523274951 /nfs/dbraw/zinc/27/49/51/523274951.db2.gz TZQRCYJUTKNDLJ-UHFFFAOYSA-N 0 0 428.517 4.091 50 0 IIAARN COc1ccc(-c2noc(CSCC(=O)Nc3cc(Cl)c(OC)cc3OC)n2)cc1 ZINC000021529641 523293027 /nfs/dbraw/zinc/29/30/27/523293027.db2.gz HYQOGUYRIQTLFJ-UHFFFAOYSA-N 0 0 449.916 4.288 50 0 IIAARN COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000011913968 523307427 /nfs/dbraw/zinc/30/74/27/523307427.db2.gz SHXANJRWFZDLQK-ZDUSSCGKSA-N 0 0 431.876 4.430 50 0 IIAARN COc1ccc(-n2c(S[C@H]3CCCCNC3=O)nnc2-c2ccccc2)cc1Cl ZINC000012527154 523324556 /nfs/dbraw/zinc/32/45/56/523324556.db2.gz UQWUESZFUCYVTA-SFHVURJKSA-N 0 0 428.945 4.357 50 0 IIAARN CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000012634191 523374725 /nfs/dbraw/zinc/37/47/25/523374725.db2.gz OBLRFLYQVUVZBK-UHFFFAOYSA-N 0 0 448.894 4.016 50 0 IIAARN COCCCNc1ncnc2sc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c21 ZINC000012338120 523380932 /nfs/dbraw/zinc/38/09/32/523380932.db2.gz MCWDQBCPTHASPP-UHFFFAOYSA-N 0 0 438.475 4.397 50 0 IIAARN CC[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2CN(C2CCCCC2)C1=O ZINC000035883648 523419292 /nfs/dbraw/zinc/41/92/92/523419292.db2.gz KHJZOMQLGGNCGV-HXUWFJFHSA-N 0 0 436.508 4.500 50 0 IIAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)/C=C/c3cccc(Cl)c3)C2=O)cc1 ZINC000012541957 523426937 /nfs/dbraw/zinc/42/69/37/523426937.db2.gz SCCLJKUSKSCTGR-VAVYRGOBSA-N 0 0 442.924 4.215 50 0 IIAARN COCCCn1c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605228 523501200 /nfs/dbraw/zinc/50/12/00/523501200.db2.gz BUCZZROCFAYEJR-UHFFFAOYSA-N 0 0 425.432 4.185 50 0 IIAARN CCn1ccnc1CN1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000012447274 523532054 /nfs/dbraw/zinc/53/20/54/523532054.db2.gz XTTIFTZUJWRKCD-IBGZPJMESA-N 0 0 428.540 4.297 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000018100534 523563797 /nfs/dbraw/zinc/56/37/97/523563797.db2.gz DZLVKYONMYERJE-UHFFFAOYSA-N 0 0 433.895 4.281 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccccc1Br ZINC000012519815 523565654 /nfs/dbraw/zinc/56/56/54/523565654.db2.gz HBPZWNJHENRBMR-UHFFFAOYSA-N 0 0 430.274 4.015 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)cc1F ZINC000012533753 523592405 /nfs/dbraw/zinc/59/24/05/523592405.db2.gz VQMUMBXHYUOMIC-UHFFFAOYSA-N 0 0 426.517 4.299 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 ZINC000035948511 523599291 /nfs/dbraw/zinc/59/92/91/523599291.db2.gz UMGOTPZTKTYRQB-SFHVURJKSA-N 0 0 439.562 4.268 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(Cl)cc1)C(C)=O ZINC000035949337 523651186 /nfs/dbraw/zinc/65/11/86/523651186.db2.gz ZDTVILBJKIDROO-HSZRJFAPSA-N 0 0 441.959 4.129 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)C1CCCC1 ZINC000035948498 523652289 /nfs/dbraw/zinc/65/22/89/523652289.db2.gz UPAMPSZRMMXLBA-GOSISDBHSA-N 0 0 445.610 4.153 50 0 IIAARN CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000033141718 523660391 /nfs/dbraw/zinc/66/03/91/523660391.db2.gz ULKNMNKOXWWVNF-UHFFFAOYSA-N 0 0 434.970 4.199 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC(C)C)C2)cc1 ZINC000036041968 523669244 /nfs/dbraw/zinc/66/92/44/523669244.db2.gz PRTGKOAUKGDZCK-VQTJNVASSA-N 0 0 434.458 4.094 50 0 IIAARN CN1C(=S)N(c2ccc(Oc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OCCO)c1 ZINC000023335653 523737510 /nfs/dbraw/zinc/73/75/10/523737510.db2.gz PXJXLSREGFMFJK-HAVVHWLPSA-N 0 0 446.528 4.454 50 0 IIAARN COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c(OC)c1OC ZINC000012575778 523738226 /nfs/dbraw/zinc/73/82/26/523738226.db2.gz BNWGKOSUNZTYGB-FQEVSTJZSA-N 0 0 435.524 4.322 50 0 IIAARN COCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035944529 523739493 /nfs/dbraw/zinc/73/94/93/523739493.db2.gz HBDQCWOLGNOKDB-UHFFFAOYSA-N 0 0 443.975 4.433 50 0 IIAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 ZINC000013944247 523766726 /nfs/dbraw/zinc/76/67/26/523766726.db2.gz HOSBPBQAZAFZBU-CQSZACIVSA-N 0 0 442.928 4.281 50 0 IIAARN CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)cc2)n1 ZINC000036028304 523792475 /nfs/dbraw/zinc/79/24/75/523792475.db2.gz NCJFYCVHPHYFFF-UHFFFAOYSA-N 0 0 447.608 4.299 50 0 IIAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cccc(C)c3)nc21 ZINC000020590220 523798432 /nfs/dbraw/zinc/79/84/32/523798432.db2.gz AUGTVHRVQQTSAH-UHFFFAOYSA-N 0 0 439.581 4.291 50 0 IIAARN COc1ccc(C)cc1CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000012599077 523810316 /nfs/dbraw/zinc/81/03/16/523810316.db2.gz OYFKSMJVDWSRKX-UHFFFAOYSA-N 0 0 430.552 4.025 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccccc1 ZINC000002955366 523840664 /nfs/dbraw/zinc/84/06/64/523840664.db2.gz RVQBWEWHQJIXAQ-RFBIWTDZSA-N 0 0 429.476 4.430 50 0 IIAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(OC)cc3OC)CC2)s1 ZINC000021716309 523848209 /nfs/dbraw/zinc/84/82/09/523848209.db2.gz UPJAGPDTEZYVOB-UHFFFAOYSA-N 0 0 426.542 4.126 50 0 IIAARN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907994 523849750 /nfs/dbraw/zinc/84/97/50/523849750.db2.gz FSIFFCWFHQVUIW-HXUWFJFHSA-N 0 0 442.606 4.143 50 0 IIAARN CCc1ccc(-c2noc(Cn3cnc4c(cnn4-c4cc(Cl)ccc4C)c3=O)n2)cc1 ZINC000033293089 523864493 /nfs/dbraw/zinc/86/44/93/523864493.db2.gz YEENFTRUOFAJSS-UHFFFAOYSA-N 0 0 446.898 4.205 50 0 IIAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(F)cc4)CC3)N=C2SC)cc1 ZINC000020578170 523873422 /nfs/dbraw/zinc/87/34/22/523873422.db2.gz OGFZJVPZDXEJSY-UHFFFAOYSA-N 0 0 426.517 4.423 50 0 IIAARN COc1ccc(C2=NN(C(=O)COC(=O)C3(c4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000021171928 523876146 /nfs/dbraw/zinc/87/61/46/523876146.db2.gz AYOQKPBKDAFYRD-JOCHJYFZSA-N 0 0 444.487 4.241 50 0 IIAARN COC(=O)[C@H](C)N(CCC(C)C)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844977 523877811 /nfs/dbraw/zinc/87/78/11/523877811.db2.gz CKDADGTWHOBZQN-NRFANRHFSA-N 0 0 428.573 4.069 50 0 IIAARN COc1ccc(CC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OC ZINC000021639144 523905059 /nfs/dbraw/zinc/90/50/59/523905059.db2.gz TUNYZWOZOSOAKH-HSZRJFAPSA-N 0 0 429.476 4.202 50 0 IIAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000024083742 523937667 /nfs/dbraw/zinc/93/76/67/523937667.db2.gz HENAYRZYABMGOL-SFHVURJKSA-N 0 0 440.302 4.196 50 0 IIAARN CO[C@H](c1nnc(CCC(=O)N2CCC(Oc3cccc(C)c3)CC2)o1)c1ccccc1 ZINC000012595673 523959902 /nfs/dbraw/zinc/95/99/02/523959902.db2.gz VAOCMKAAMKTEOD-DEOSSOPVSA-N 0 0 435.524 4.116 50 0 IIAARN CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862614 523964311 /nfs/dbraw/zinc/96/43/11/523964311.db2.gz CGUPTSGEUOAFHO-MHZLTWQESA-N 0 0 444.579 4.479 50 0 IIAARN COc1ccc(CCNC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1OC ZINC000035534855 523972149 /nfs/dbraw/zinc/97/21/49/523972149.db2.gz ZRQOMHMNEDADKZ-UHFFFAOYSA-N 0 0 443.956 4.336 50 0 IIAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000021872102 523975062 /nfs/dbraw/zinc/97/50/62/523975062.db2.gz WFCVXCHBGUPJPP-JOCHJYFZSA-N 0 0 437.540 4.470 50 0 IIAARN CCc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000035425060 523977063 /nfs/dbraw/zinc/97/70/63/523977063.db2.gz KBJNEMFZCTUVPW-UHFFFAOYSA-N 0 0 439.475 4.038 50 0 IIAARN CC[C@H](C)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020358048 524007273 /nfs/dbraw/zinc/00/72/73/524007273.db2.gz UPHXKKJZXMGTNX-ZDUSSCGKSA-N 0 0 427.574 4.138 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399325 524011561 /nfs/dbraw/zinc/01/15/61/524011561.db2.gz OHQUJIQUNZFIHX-UHFFFAOYSA-N 0 0 425.529 4.284 50 0 biogenic IIAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CCCC2)cc1OCC1(C)COC1 ZINC000012038760 524013408 /nfs/dbraw/zinc/01/34/08/524013408.db2.gz HXOCTTYNYJWBEL-OAQYLSRUSA-N 0 0 431.573 4.198 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2cccc(F)c2)c1C ZINC000036002078 524022140 /nfs/dbraw/zinc/02/21/40/524022140.db2.gz RCIPIXBDJWPNNB-UHFFFAOYSA-N 0 0 428.504 4.463 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1F ZINC000012678530 524030759 /nfs/dbraw/zinc/03/07/59/524030759.db2.gz BPQHNMSDANKNAW-UHFFFAOYSA-N 0 0 432.495 4.023 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CCC2=O)cc1 ZINC000020782814 524030790 /nfs/dbraw/zinc/03/07/90/524030790.db2.gz IIQWRADHOAYMJJ-UHFFFAOYSA-N 0 0 432.495 4.376 50 0 IIAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3c[nH]c4ccccc43)C2)c(OC)c1 ZINC000012209145 524048431 /nfs/dbraw/zinc/04/84/31/524048431.db2.gz NJTUWFXBIDKDLI-SFHVURJKSA-N 0 0 449.551 4.134 50 0 IIAARN COc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c(OC)c1 ZINC000015732096 524052416 /nfs/dbraw/zinc/05/24/16/524052416.db2.gz BXLNBHOQGNXATF-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN CCc1cccc(C)c1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009668537 524062418 /nfs/dbraw/zinc/06/24/18/524062418.db2.gz SUVCWZIVDNJLLD-JOCHJYFZSA-N 0 0 447.579 4.096 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(SCC(=O)N(CC)CC)s1 ZINC000032947330 524063842 /nfs/dbraw/zinc/06/38/42/524063842.db2.gz BJWRENSLWFUYBG-UHFFFAOYSA-N 0 0 438.644 4.100 50 0 IIAARN COc1ccc(CNC(=O)c2cc(Cl)c(-n3c(C)nc4cccnc43)cc2OC)cc1 ZINC000020934488 524065617 /nfs/dbraw/zinc/06/56/17/524065617.db2.gz SOYGGJXRTKSLRX-UHFFFAOYSA-N 0 0 436.899 4.330 50 0 IIAARN CCc1cccc(C)c1N=C1NN=C(c2ccc3c(c2)CCN3S(=O)(=O)CC)CS1 ZINC000012730851 524066090 /nfs/dbraw/zinc/06/60/90/524066090.db2.gz YWOMSCKDQGLEFZ-UHFFFAOYSA-N 0 0 442.610 4.189 50 0 IIAARN COc1cccc([C@@H](NC(=O)COc2ccccc2Cc2ccccc2)c2nccn2C)c1 ZINC000012520396 524098022 /nfs/dbraw/zinc/09/80/22/524098022.db2.gz IRZHKWCVCNQXNR-AREMUKBSSA-N 0 0 441.531 4.304 50 0 IIAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(I)cc3)n2)C1 ZINC000012793516 524099251 /nfs/dbraw/zinc/09/92/51/524099251.db2.gz WIDIBSDSLVFGLI-LBPRGKRZSA-N 0 0 441.338 4.232 50 0 IIAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)c1 ZINC000035398232 524110463 /nfs/dbraw/zinc/11/04/63/524110463.db2.gz SFRQVPPISPXMPI-IBGZPJMESA-N 0 0 430.508 4.078 50 0 IIAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)c4c[nH]c5ccccc45)c(=O)n3n2)c1 ZINC000035449254 524120588 /nfs/dbraw/zinc/12/05/88/524120588.db2.gz KONWUVUHBCWFMC-UHFFFAOYSA-N 0 0 433.471 4.384 50 0 IIAARN Cc1cccc(-c2nnn3c2nc(N2CCC4(CC2)OCCO4)c2cc(Cl)ccc23)c1 ZINC000020859718 524128270 /nfs/dbraw/zinc/12/82/70/524128270.db2.gz RDDXMZWFFFWGNV-UHFFFAOYSA-N 0 0 435.915 4.250 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN(C)Cc2cccnc2)c1 ZINC000012201898 524136345 /nfs/dbraw/zinc/13/63/45/524136345.db2.gz SDONTLGGPJNHBJ-HHHXNRCGSA-N 0 0 440.547 4.178 50 0 IIAARN Cc1cccc(-n2c3nc(-c4ccn(C)n4)cc(C(F)(F)F)c3c(=O)[nH]c2=S)c1C ZINC000036617309 524140642 /nfs/dbraw/zinc/14/06/42/524140642.db2.gz CVUOODAVYIOHKS-UHFFFAOYSA-N 0 0 431.443 4.479 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)NCc2cccc(OC)c2)cc1 ZINC000032948788 524156359 /nfs/dbraw/zinc/15/63/59/524156359.db2.gz LKASCLVZVSLSEE-OAQYLSRUSA-N 0 0 448.519 4.086 50 0 biogenic IIAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3cccnc3)CC(C)C)no2)c(C)c1 ZINC000036015867 524209809 /nfs/dbraw/zinc/20/98/09/524209809.db2.gz TXXGPSUINOLYHQ-UHFFFAOYSA-N 0 0 448.567 4.467 50 0 IIAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCc3nc4ccccc4o3)ccc2Cl)C1 ZINC000021314597 524242108 /nfs/dbraw/zinc/24/21/08/524242108.db2.gz SHRSBUJKZPNSMA-CQSZACIVSA-N 0 0 448.928 4.259 50 0 IIAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccc(OC)c(OC)c2OC)s1 ZINC000032948015 524246380 /nfs/dbraw/zinc/24/63/80/524246380.db2.gz VYYBZXBXXKASCD-UHFFFAOYSA-N 0 0 449.916 4.388 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cccs3)CC2)c1C ZINC000012872574 524251084 /nfs/dbraw/zinc/25/10/84/524251084.db2.gz BDXGZHOKCHDAMA-UHFFFAOYSA-N 0 0 434.627 4.041 50 0 IIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccccc4OC)cc3c2=O)cc1 ZINC000021916857 524262309 /nfs/dbraw/zinc/26/23/09/524262309.db2.gz DGRAABXLUKXUDH-UHFFFAOYSA-N 0 0 429.476 4.023 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000022800061 524275636 /nfs/dbraw/zinc/27/56/36/524275636.db2.gz CYSGDYSYLNUUDT-OAQYLSRUSA-N 0 0 444.579 4.040 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012877611 524278031 /nfs/dbraw/zinc/27/80/31/524278031.db2.gz QDIJJVLCUHBFMJ-INIZCTEOSA-N 0 0 433.474 4.061 50 0 IIAARN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 ZINC000012929197 524281708 /nfs/dbraw/zinc/28/17/08/524281708.db2.gz WHJRNXFWJKVSAV-UHFFFAOYSA-N 0 0 426.582 4.140 50 0 IIAARN COc1ccccc1-n1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1N1CCCCC1 ZINC000012545004 524302489 /nfs/dbraw/zinc/30/24/89/524302489.db2.gz FTODEECPKUSAJG-GOSISDBHSA-N 0 0 445.633 4.392 50 0 IIAARN COc1ccc(F)cc1CN1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000024386097 524309967 /nfs/dbraw/zinc/30/99/67/524309967.db2.gz TVAYVPWYXUQKCG-UHFFFAOYSA-N 0 0 427.545 4.111 50 0 IIAARN COc1ccc(N(C(C)=O)c2nc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cs2)cc1 ZINC000012901985 524338395 /nfs/dbraw/zinc/33/83/95/524338395.db2.gz LZLPPCMNAFCNDM-ODLFYWEKSA-N 0 0 437.452 4.320 50 0 IIAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCc4cccnc4)cc3)c2n1 ZINC000020992791 524341682 /nfs/dbraw/zinc/34/16/82/524341682.db2.gz PHCARPPRTGWKDD-UHFFFAOYSA-N 0 0 436.519 4.212 50 0 IIAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000012584921 524351608 /nfs/dbraw/zinc/35/16/08/524351608.db2.gz AMGIPHJCVYOUDU-INIZCTEOSA-N 0 0 429.567 4.104 50 0 IIAARN Cc1cc(C)cc(-n2c(S[C@H]3CCOC3=O)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000012820683 524356140 /nfs/dbraw/zinc/35/61/40/524356140.db2.gz FVAUBFQEWZHTGF-KRWDZBQOSA-N 0 0 426.563 4.350 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000021708375 524365890 /nfs/dbraw/zinc/36/58/90/524365890.db2.gz WQNKILIFCMXACD-HXUWFJFHSA-N 0 0 437.590 4.258 50 0 IIAARN COc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000012225954 524378752 /nfs/dbraw/zinc/37/87/52/524378752.db2.gz BFQUCPYGHOKYGU-UHFFFAOYSA-N 0 0 447.539 4.250 50 0 IIAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000020573820 524390720 /nfs/dbraw/zinc/39/07/20/524390720.db2.gz CYPZWNAWTSVOCV-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN COc1ccc(N2C(=O)N[C@@H](c3cccc(OC)c3OC)C(C(=O)OC(C)C)=C2C)cc1 ZINC000012771898 524394668 /nfs/dbraw/zinc/39/46/68/524394668.db2.gz TYLRHQORXSDVDX-NRFANRHFSA-N 0 0 440.496 4.209 50 0 IIAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1OC ZINC000021858344 524398622 /nfs/dbraw/zinc/39/86/22/524398622.db2.gz SUQQMKWIFBXMRV-AREMUKBSSA-N 0 0 449.551 4.240 50 0 IIAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022506100 524406085 /nfs/dbraw/zinc/40/60/85/524406085.db2.gz OTCMGPUJOKHILX-UHFFFAOYSA-N 0 0 430.313 4.186 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000012866701 524419658 /nfs/dbraw/zinc/41/96/58/524419658.db2.gz OIPMLQRSGHHVDU-MZBJOSPHSA-N 0 0 436.552 4.339 50 0 biogenic IIAARN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000012789849 524433459 /nfs/dbraw/zinc/43/34/59/524433459.db2.gz PUJLLNVMQXGMLZ-UHFFFAOYSA-N 0 0 442.512 4.216 50 0 IIAARN COc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021863870 524447665 /nfs/dbraw/zinc/44/76/65/524447665.db2.gz NELJBDGJMWKBRJ-AREMUKBSSA-N 0 0 447.535 4.230 50 0 IIAARN COc1ccccc1CN1Cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2O[C@H](C)C1=O ZINC000035885056 524457959 /nfs/dbraw/zinc/45/79/59/524457959.db2.gz IMCUAEGAYIHQNY-QGZVFWFLSA-N 0 0 448.494 4.325 50 0 IIAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)s2)c1Cl ZINC000012854192 524472758 /nfs/dbraw/zinc/47/27/58/524472758.db2.gz XYEVCRLHEMVSCP-UHFFFAOYSA-N 0 0 425.897 4.174 50 0 IIAARN Cc1cccc(Cc2cnc(NC(=O)c3cccc(NS(C)(=O)=O)c3)s2)c1Cl ZINC000012773924 524473053 /nfs/dbraw/zinc/47/30/53/524473053.db2.gz JRHKAOMYQXSUGP-UHFFFAOYSA-N 0 0 435.958 4.320 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4n3)CC2)cc1 ZINC000021704221 524472862 /nfs/dbraw/zinc/47/28/62/524472862.db2.gz JCWZSBNDUHKYAB-UHFFFAOYSA-N 0 0 432.524 4.365 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016188691 524480926 /nfs/dbraw/zinc/48/09/26/524480926.db2.gz NTFKNTNYPBJQAQ-UHFFFAOYSA-N 0 0 444.940 4.104 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000012297364 524484270 /nfs/dbraw/zinc/48/42/70/524484270.db2.gz CWTTZQHLDYGUNZ-GOSISDBHSA-N 0 0 442.581 4.468 50 0 IIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)Nc4ccccc4)nc-3c3cc(F)ccc32)c1 ZINC000020936963 524494739 /nfs/dbraw/zinc/49/47/39/524494739.db2.gz UXQFWYHOEGAUSE-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN Cc1ccc(CNC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1 ZINC000035534137 524509732 /nfs/dbraw/zinc/50/97/32/524509732.db2.gz GIRBFUHJBDBHSO-UHFFFAOYSA-N 0 0 449.605 4.440 50 0 IIAARN COc1ccccc1Cn1c2nnc(SCc3ccccc3)n2c2ccsc2c1=O ZINC000035529480 524519760 /nfs/dbraw/zinc/51/97/60/524519760.db2.gz LMKFALKAGRAPOD-UHFFFAOYSA-N 0 0 434.546 4.455 50 0 IIAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccc(Br)cc2)CC3)c1 ZINC000034927304 524533413 /nfs/dbraw/zinc/53/34/13/524533413.db2.gz SLWWZDXUDIKRNW-UHFFFAOYSA-N 0 0 445.382 4.470 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cnc(N3CCCCC3)c3ccccc23)CC1 ZINC000033073132 524552792 /nfs/dbraw/zinc/55/27/92/524552792.db2.gz XGQDVFZSLNTVEY-UHFFFAOYSA-N 0 0 430.552 4.196 50 0 IIAARN Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000012931370 524587254 /nfs/dbraw/zinc/58/72/54/524587254.db2.gz HDNMEQQGYNRFHN-UHFFFAOYSA-N 0 0 448.489 4.031 50 0 IIAARN COc1ccc(NC(=O)[C@@H](OC(=O)COc2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000012926627 524588091 /nfs/dbraw/zinc/58/80/91/524588091.db2.gz SPSLNWRPHFOJAP-VWLOTQADSA-N 0 0 431.488 4.486 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)c1 ZINC000035531646 524604191 /nfs/dbraw/zinc/60/41/91/524604191.db2.gz YLKARMXFGLAQTP-UHFFFAOYSA-N 0 0 441.582 4.191 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(OC)c1 ZINC000012795033 524612462 /nfs/dbraw/zinc/61/24/62/524612462.db2.gz ISRAMFWTLWGCOD-KRWDZBQOSA-N 0 0 448.519 4.357 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)NCc4ccccc4F)CC3=O)c2)c1 ZINC000033308652 524661906 /nfs/dbraw/zinc/66/19/06/524661906.db2.gz SAFKDUYFNJHZLR-HXUWFJFHSA-N 0 0 445.494 4.056 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)NCc4ccccc4C)CC3=O)c2)c1 ZINC000033308668 524662536 /nfs/dbraw/zinc/66/25/36/524662536.db2.gz RMQXOYVFNVXLMG-JOCHJYFZSA-N 0 0 441.531 4.225 50 0 IIAARN COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012651689 524669118 /nfs/dbraw/zinc/66/91/18/524669118.db2.gz MQJGXYITOVTWJO-UHFFFAOYSA-N 0 0 435.476 4.225 50 0 IIAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000012539363 524680070 /nfs/dbraw/zinc/68/00/70/524680070.db2.gz AKPYBRUOJJINFC-UHFFFAOYSA-N 0 0 425.554 4.229 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3noc4ccccc34)ccc2C)c1 ZINC000012544814 524689635 /nfs/dbraw/zinc/68/96/35/524689635.db2.gz FQWUCQSLZUZJFI-UHFFFAOYSA-N 0 0 435.505 4.427 50 0 IIAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)s2)c1 ZINC000021258560 524700553 /nfs/dbraw/zinc/70/05/53/524700553.db2.gz KFWHUOJMGYYKTO-AWEZNQCLSA-N 0 0 442.566 4.331 50 0 IIAARN COc1ccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3c2cnn3C)cc1 ZINC000021873717 524720342 /nfs/dbraw/zinc/72/03/42/524720342.db2.gz AXYOQNMYCRXTHJ-UHFFFAOYSA-N 0 0 449.946 4.096 50 0 IIAARN C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C1 ZINC000012803475 524732602 /nfs/dbraw/zinc/73/26/02/524732602.db2.gz HSYRUJFBPRLYSI-GFCCVEGCSA-N 0 0 426.460 4.482 50 0 IIAARN COc1ccccc1[C@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012631395 524774450 /nfs/dbraw/zinc/77/44/50/524774450.db2.gz WZMKFUPFTDXRCN-INIZCTEOSA-N 0 0 442.512 4.055 50 0 IIAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)c2cccnc2C)C3)c1 ZINC000012034497 524790550 /nfs/dbraw/zinc/79/05/50/524790550.db2.gz QPQLFBAGSLZNCV-GOSISDBHSA-N 0 0 438.911 4.461 50 0 IIAARN COc1ccc(OC)c(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(C)cc3)no2)c1 ZINC000036012547 524791361 /nfs/dbraw/zinc/79/13/61/524791361.db2.gz GQSXUPMDDTZQGN-OAQYLSRUSA-N 0 0 436.508 4.489 50 0 IIAARN COc1ccc(OC)c(-n2ccc3c(nnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)c1 ZINC000020715546 524798581 /nfs/dbraw/zinc/79/85/81/524798581.db2.gz LCSJTKMXQAXANM-UHFFFAOYSA-N 0 0 447.882 4.074 50 0 IIAARN Cc1ccc(F)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)c1 ZINC000035528233 524818854 /nfs/dbraw/zinc/81/88/54/524818854.db2.gz ZEAORTKUVMVYTM-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN Cc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1C ZINC000020867426 524899556 /nfs/dbraw/zinc/89/95/56/524899556.db2.gz FJDHOOTZBKQIJE-RBUKOAKNSA-N 0 0 438.977 4.371 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)c1 ZINC000012344359 524902014 /nfs/dbraw/zinc/90/20/14/524902014.db2.gz LUCKIORXPIMYHE-JOCHJYFZSA-N 0 0 437.496 4.160 50 0 IIAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Cl ZINC000012817917 524914279 /nfs/dbraw/zinc/91/42/79/524914279.db2.gz VYATUDZMRHPBNZ-MAUBAPBLSA-N 0 0 432.973 4.230 50 0 IIAARN Cc1cccc2c(=O)[nH]c(CSc3nnc(CN4CCCCC4)n3-c3ccccc3)nc12 ZINC000012522093 524924279 /nfs/dbraw/zinc/92/42/79/524924279.db2.gz ISJXIBWQYFUJGI-UHFFFAOYSA-N 0 0 446.580 4.090 50 0 IIAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021860773 524933475 /nfs/dbraw/zinc/93/34/75/524933475.db2.gz ZCRKFLGPGBQFHF-VKZJBHIYSA-N 0 0 430.552 4.459 50 0 IIAARN Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)c(C)c1 ZINC000020736698 524966840 /nfs/dbraw/zinc/96/68/40/524966840.db2.gz MUEQFWDBCVDZIQ-OAQYLSRUSA-N 0 0 442.357 4.495 50 0 IIAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nnc(-c3ccccc3)o2)no1 ZINC000021721509 524988545 /nfs/dbraw/zinc/98/85/45/524988545.db2.gz FDJIJJMORJJBEW-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1F ZINC000022908284 525006191 /nfs/dbraw/zinc/00/61/91/525006191.db2.gz OQZPDKDJLLUQSK-OAQYLSRUSA-N 0 0 437.540 4.050 50 0 IIAARN Cc1ccccc1-n1c(SCCN2CCOCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000012814249 525027749 /nfs/dbraw/zinc/02/77/49/525027749.db2.gz JXPRMCKXWZCUSZ-UHFFFAOYSA-N 0 0 441.622 4.059 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1NC(C)=O ZINC000012784470 525028914 /nfs/dbraw/zinc/02/89/14/525028914.db2.gz NDFINMSAILMSJN-SFHVURJKSA-N 0 0 445.566 4.179 50 0 IIAARN Cc1ccccc1-n1cc(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)cn1 ZINC000012444637 525032283 /nfs/dbraw/zinc/03/22/83/525032283.db2.gz ROEYMFZSSXWSIH-UHFFFAOYSA-N 0 0 448.596 4.148 50 0 IIAARN COc1ncccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012315067 525034760 /nfs/dbraw/zinc/03/47/60/525034760.db2.gz XLJYTRYBYIPCFE-LJQANCHMSA-N 0 0 433.483 4.387 50 0 IIAARN Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(Br)c1 ZINC000012800076 525040424 /nfs/dbraw/zinc/04/04/24/525040424.db2.gz AQJZEDJYWUKJPM-UHFFFAOYSA-N 0 0 446.370 4.437 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033275076 525055202 /nfs/dbraw/zinc/05/52/02/525055202.db2.gz JDKLJHAWEFPOPS-UHFFFAOYSA-N 0 0 425.536 4.238 50 0 IIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000012816164 525068438 /nfs/dbraw/zinc/06/84/38/525068438.db2.gz CCMZYQHUIQLREF-OKACTXMXSA-N 0 0 432.973 4.230 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)cc1C ZINC000012565696 525080558 /nfs/dbraw/zinc/08/05/58/525080558.db2.gz XLKFITBDRUKABZ-UHFFFAOYSA-N 0 0 436.562 4.186 50 0 IIAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1Cl ZINC000009659315 525098341 /nfs/dbraw/zinc/09/83/41/525098341.db2.gz DGDYTAOTOBWNAA-UHFFFAOYSA-N 0 0 429.885 4.267 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nc4ccccc4n3c2=O)cc1 ZINC000035371821 525107612 /nfs/dbraw/zinc/10/76/12/525107612.db2.gz ZOKOFNMZJSRJAD-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1 ZINC000032998847 525112496 /nfs/dbraw/zinc/11/24/96/525112496.db2.gz ZYJSWOZFGAVYCS-UHFFFAOYSA-N 0 0 443.528 4.322 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1ccc2c(c1)CCCC2 ZINC000012750114 525126139 /nfs/dbraw/zinc/12/61/39/525126139.db2.gz AIIOQVFDJFVDKP-CQSZACIVSA-N 0 0 441.988 4.161 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1cccs1 ZINC000012848887 525126926 /nfs/dbraw/zinc/12/69/26/525126926.db2.gz SCTVDTOSJTVABJ-PBHICJAKSA-N 0 0 446.573 4.294 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910771 525169672 /nfs/dbraw/zinc/16/96/72/525169672.db2.gz DJLIOLXPTLHKIP-JOCHJYFZSA-N 0 0 429.520 4.461 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000012902988 525191446 /nfs/dbraw/zinc/19/14/46/525191446.db2.gz BDXNAXTYWXAXRA-IAGOWNOFSA-N 0 0 444.373 4.435 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000021860572 525199025 /nfs/dbraw/zinc/19/90/25/525199025.db2.gz NAMOKTPUYJFWRT-RUZDIDTESA-N 0 0 434.515 4.039 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)C1 ZINC000014359794 525204500 /nfs/dbraw/zinc/20/45/00/525204500.db2.gz JEQYMCDAOQWKPV-HZPDHXFCSA-N 0 0 425.529 4.121 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000012889731 525216754 /nfs/dbraw/zinc/21/67/54/525216754.db2.gz GZTLDPTXVGJEOM-RUZDIDTESA-N 0 0 430.504 4.442 50 0 biogenic IIAARN CS(=O)(=O)Nc1cccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1 ZINC000012605370 525224973 /nfs/dbraw/zinc/22/49/73/525224973.db2.gz TXNRQBLCUCUFCT-ZPSAWSNLSA-N 0 0 432.545 4.085 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n(-c2cccc(Br)c2)n1 ZINC000033176554 525231000 /nfs/dbraw/zinc/23/10/00/525231000.db2.gz YHQDNJQIMJDYBM-INIZCTEOSA-N 0 0 425.286 4.008 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)c(Cl)c1 ZINC000012605835 525245523 /nfs/dbraw/zinc/24/55/23/525245523.db2.gz YATGBJLWIXJEKR-UHFFFAOYSA-N 0 0 444.896 4.430 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)N[C@@H](c3cccs3)C(C)C)s2)cc1 ZINC000032987472 525261007 /nfs/dbraw/zinc/26/10/07/525261007.db2.gz SBMZHSPGXPAQNA-LJQANCHMSA-N 0 0 444.582 4.190 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033268589 525279205 /nfs/dbraw/zinc/27/92/05/525279205.db2.gz HNVLLSQIYNSDNI-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cc1ccc(Nc2nc(CSc3nnc(CCC(N)=O)n3CC(C)C)cs2)cc1 ZINC000017274448 525324814 /nfs/dbraw/zinc/32/48/14/525324814.db2.gz PFTIAJBUOCYAKV-UHFFFAOYSA-N 0 0 430.603 4.153 50 0 IIAARN COc1ccc([C@H](CC(=O)Nc2cc(OC)ccc2OC)N2Cc3ccccc3C2=O)cc1 ZINC000020560652 525344212 /nfs/dbraw/zinc/34/42/12/525344212.db2.gz ZJTOUGGKRUWGBU-QHCPKHFHSA-N 0 0 446.503 4.438 50 0 IIAARN COc1ccc([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910772 525344756 /nfs/dbraw/zinc/34/47/56/525344756.db2.gz DJLIOLXPTLHKIP-QFIPXVFZSA-N 0 0 429.520 4.461 50 0 IIAARN C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000021702528 525350488 /nfs/dbraw/zinc/35/04/88/525350488.db2.gz KWTBCIKGKLEPEE-MRXNPFEDSA-N 0 0 448.504 4.028 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000012683959 525439206 /nfs/dbraw/zinc/43/92/06/525439206.db2.gz JXKPKVRVFMJMBU-SZNDQCEHSA-N 0 0 442.462 4.324 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccnc1Sc1ccccc1 ZINC000012340550 525494331 /nfs/dbraw/zinc/49/43/31/525494331.db2.gz CXKDKKNJRCXAFS-UHFFFAOYSA-N 0 0 427.551 4.044 50 0 IIAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000020738096 525495222 /nfs/dbraw/zinc/49/52/22/525495222.db2.gz OLKQNZMRERSITE-HXUWFJFHSA-N 0 0 434.323 4.431 50 0 IIAARN COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)Nc4cccnc4Cl)n3c2c1 ZINC000012521690 525497321 /nfs/dbraw/zinc/49/73/21/525497321.db2.gz LBJXDAVVVNVCPW-GFCCVEGCSA-N 0 0 427.917 4.367 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)Nc3ccccc3)c(C)cc2C)cc1 ZINC000016248050 525498521 /nfs/dbraw/zinc/49/85/21/525498521.db2.gz FPAXKDVVYKJQHB-UHFFFAOYSA-N 0 0 444.578 4.238 50 0 IIAARN COc1ccc2c(COC(=O)c3cccc(C)c3NC(=O)c3ccco3)cc(=O)oc2c1 ZINC000012839160 525502430 /nfs/dbraw/zinc/50/24/30/525502430.db2.gz LNHGTVSREYAFKI-UHFFFAOYSA-N 0 0 433.416 4.312 50 0 IIAARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3cccc(I)c3)[C@@H]1CC2 ZINC000012379353 525509317 /nfs/dbraw/zinc/50/93/17/525509317.db2.gz HNYAYDDFAAGTEE-YLJYHZDGSA-N 0 0 446.288 4.170 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(=O)CCN4CCOCC4)[C@@]3(C)CC[C@H]21 ZINC000035361359 525532970 /nfs/dbraw/zinc/53/29/70/525532970.db2.gz UXZOQOXHDQJUIB-XRKIENNPSA-N 0 0 427.585 4.185 50 0 biogenic IIAARN Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000012527491 525558308 /nfs/dbraw/zinc/55/83/08/525558308.db2.gz FZZGSUYQPJEOTG-UHFFFAOYSA-N 0 0 431.443 4.476 50 0 IIAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(C)n1C ZINC000020989948 525573739 /nfs/dbraw/zinc/57/37/39/525573739.db2.gz VANAKTREXQGCRY-NRFANRHFSA-N 0 0 443.613 4.014 50 0 IIAARN Cc1ccn(CCC(=O)NCc2nc(-c3ccccc3NC(=O)c3ccccc3)oc2C)n1 ZINC000012219149 525601144 /nfs/dbraw/zinc/60/11/44/525601144.db2.gz CFLXEAACAKGJQW-UHFFFAOYSA-N 0 0 443.507 4.114 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(CCOc2ccccc2)C1=O ZINC000035909173 525610296 /nfs/dbraw/zinc/61/02/96/525610296.db2.gz QGBJQMUQKLVRFG-IBGZPJMESA-N 0 0 430.504 4.056 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@H](C)Cc4ccco4)CC3)[nH]c2c1 ZINC000015868665 525621646 /nfs/dbraw/zinc/62/16/46/525621646.db2.gz RRFMPYPZQRLIEE-SJORKVTESA-N 0 0 437.540 4.005 50 0 IIAARN Cc1c(C(=O)NC[C@H]2CCCO2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490081 525623330 /nfs/dbraw/zinc/62/33/30/525623330.db2.gz CUKCYCIPOHBFIC-GOSISDBHSA-N 0 0 425.916 4.161 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3C)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000033313966 525632028 /nfs/dbraw/zinc/63/20/28/525632028.db2.gz OQUYPJSLHUGUII-UHFFFAOYSA-N 0 0 447.512 4.228 50 0 IIAARN COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)ccc2c1 ZINC000018046901 525638014 /nfs/dbraw/zinc/63/80/14/525638014.db2.gz LFDWEMZAHBWKIV-AVRWGWEMSA-N 0 0 436.527 4.281 50 0 IIAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(-c5ccccc5)on4)C3=O)ccc2c1 ZINC000012689843 525642512 /nfs/dbraw/zinc/64/25/12/525642512.db2.gz OCJICQSGJMWRQA-VWLOTQADSA-N 0 0 427.460 4.471 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2C(=O)NC2CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012931113 525661299 /nfs/dbraw/zinc/66/12/99/525661299.db2.gz UXKMNFCZDUNMEZ-UHFFFAOYSA-N 0 0 428.414 4.344 50 0 IIAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)N[C@H]3CCCc4ccccc43)c(=O)c12 ZINC000021885771 525680089 /nfs/dbraw/zinc/68/00/89/525680089.db2.gz LXEYJUWLDDCSFD-QHCPKHFHSA-N 0 0 440.547 4.388 50 0 IIAARN COc1cccc(-c2nc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cs2)c1OC ZINC000012848604 525719677 /nfs/dbraw/zinc/71/96/77/525719677.db2.gz OYLHXSKTVLWREI-JXMROGBWSA-N 0 0 449.576 4.299 50 0 IIAARN C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000020676926 525737257 /nfs/dbraw/zinc/73/72/57/525737257.db2.gz LPMVXGPQLXJEIA-DVECYGJZSA-N 0 0 438.531 4.387 50 0 IIAARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)NC[C@H]3CCCO3)o2)cc1 ZINC000012461968 525742266 /nfs/dbraw/zinc/74/22/66/525742266.db2.gz SMZRUXPTMRSODN-LEYFIJQKSA-N 0 0 430.504 4.321 50 0 IIAARN COc1cccc(-n2cnnc2SCc2cc3c(cc2Br)OCCO3)c1 ZINC000024481534 525753895 /nfs/dbraw/zinc/75/38/95/525753895.db2.gz JXEAAQYZCUVPNJ-UHFFFAOYSA-N 0 0 434.315 4.102 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)n2)s1 ZINC000021768126 525782675 /nfs/dbraw/zinc/78/26/75/525782675.db2.gz ZKBGMAXPYNALFB-UHFFFAOYSA-N 0 0 441.987 4.336 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 ZINC000021860504 525791523 /nfs/dbraw/zinc/79/15/23/525791523.db2.gz GKGOWJTXAUYFGJ-VWLOTQADSA-N 0 0 434.515 4.039 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1Cl ZINC000021852270 525793957 /nfs/dbraw/zinc/79/39/57/525793957.db2.gz ORKQPOKQALFXEM-DEOSSOPVSA-N 0 0 440.975 4.278 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccn1 ZINC000015678120 525795416 /nfs/dbraw/zinc/79/54/16/525795416.db2.gz RTPMQBBDVFBKCS-SANMLTNESA-N 0 0 445.567 4.075 50 0 IIAARN Cc1ccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000020611337 525800534 /nfs/dbraw/zinc/80/05/34/525800534.db2.gz AOAIVWHJDSQHEK-UHFFFAOYSA-N 0 0 428.536 4.144 50 0 biogenic IIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036054686 525810068 /nfs/dbraw/zinc/81/00/68/525810068.db2.gz DZKDRJHXHJZJHI-RPWUZVMVSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000012419059 525819032 /nfs/dbraw/zinc/81/90/32/525819032.db2.gz FQQRUWCUNADMSQ-HZPDHXFCSA-N 0 0 430.501 4.236 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NCc4ccco4)n32)cc1 ZINC000012462069 525825837 /nfs/dbraw/zinc/82/58/37/525825837.db2.gz KRSFZEUUABNKJY-UHFFFAOYSA-N 0 0 429.505 4.254 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@@H](C)O3)c1 ZINC000035909409 525832949 /nfs/dbraw/zinc/83/29/49/525832949.db2.gz LJAQHGYCHMVTMI-QGZVFWFLSA-N 0 0 448.494 4.439 50 0 IIAARN Cc1ccc(-c2nn(CN3CCC[C@@H]3C(=O)N(C)C)c(=S)n2-c2ccc(C)cc2)cc1 ZINC000012596126 525841185 /nfs/dbraw/zinc/84/11/85/525841185.db2.gz TUJKNOLQRMVZAS-OAQYLSRUSA-N 0 0 435.597 4.197 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3)C2)c1 ZINC000035962654 525858112 /nfs/dbraw/zinc/85/81/12/525858112.db2.gz FONSCMLLAZXQRV-XMMPIXPASA-N 0 0 445.494 4.284 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810775 525927958 /nfs/dbraw/zinc/92/79/58/525927958.db2.gz NHMJRSMWRJFSGG-SANMLTNESA-N 0 0 449.551 4.415 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000021811288 525930372 /nfs/dbraw/zinc/93/03/72/525930372.db2.gz NCLIRRQHNCNRRI-ADLZZSLISA-N 0 0 449.551 4.353 50 0 IIAARN Cc1ccc(-n2ncc3c2c(SCC(=O)N2CCc4ccccc42)nnc3C)cc1C ZINC000023137782 525935042 /nfs/dbraw/zinc/93/50/42/525935042.db2.gz USTWEAVJNHXBLS-UHFFFAOYSA-N 0 0 429.549 4.422 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(Cl)cc1)nc2C ZINC000020563586 525936831 /nfs/dbraw/zinc/93/68/31/525936831.db2.gz AMESYNIGTXTXIA-UHFFFAOYSA-N 0 0 435.915 4.271 50 0 IIAARN C[C@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1cccc(F)c1 ZINC000012813795 525938543 /nfs/dbraw/zinc/93/85/43/525938543.db2.gz JIOLEEYKSFYIRS-AWEZNQCLSA-N 0 0 434.514 4.118 50 0 IIAARN CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)O3)cc1 ZINC000012245560 525946543 /nfs/dbraw/zinc/94/65/43/525946543.db2.gz ASOYHVCVNKOIBY-IRLDBZIGSA-N 0 0 426.582 4.046 50 0 IIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000021894980 525947051 /nfs/dbraw/zinc/94/70/51/525947051.db2.gz QTQCNXTWUCTTNN-AWEZNQCLSA-N 0 0 448.972 4.159 50 0 IIAARN COc1cccc(CN2C[C@@H](C(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC2=O)c1 ZINC000012707940 525954686 /nfs/dbraw/zinc/95/46/86/525954686.db2.gz CJLYBOKRSYVSGI-QFIPXVFZSA-N 0 0 430.548 4.021 50 0 IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccc4cccc(F)c4n3)C2)c1 ZINC000011878890 525967621 /nfs/dbraw/zinc/96/76/21/525967621.db2.gz LQEWBYDYFLIGPT-GOSISDBHSA-N 0 0 449.526 4.331 50 0 IIAARN C[C@H](Sc1ccccc1C(=O)NCC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000012795966 525993349 /nfs/dbraw/zinc/99/33/49/525993349.db2.gz HYGSZLFJMIMERV-ZDUSSCGKSA-N 0 0 434.508 4.429 50 0 IIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000012784715 526003133 /nfs/dbraw/zinc/00/31/33/526003133.db2.gz JWASAAKKIHUFQR-JTQLQIEISA-N 0 0 445.426 4.058 50 0 IIAARN C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C)C(=O)NCc1ccco1 ZINC000012779940 526005180 /nfs/dbraw/zinc/00/51/80/526005180.db2.gz HLEYSBUSWMCFSO-GFCCVEGCSA-N 0 0 443.525 4.191 50 0 IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008862377 526008171 /nfs/dbraw/zinc/00/81/71/526008171.db2.gz WTEOJGNHJTYTHK-SFHVURJKSA-N 0 0 441.560 4.458 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000012850453 526040472 /nfs/dbraw/zinc/04/04/72/526040472.db2.gz WNQXZGHSIJGPSY-CABCVRRESA-N 0 0 429.318 4.017 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000015095603 526040734 /nfs/dbraw/zinc/04/07/34/526040734.db2.gz HDAYEBMUQBLNAH-HXUWFJFHSA-N 0 0 442.519 4.445 50 0 IIAARN Cc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012361766 526049333 /nfs/dbraw/zinc/04/93/33/526049333.db2.gz HSIAGIYHPFGEET-FQEVSTJZSA-N 0 0 431.355 4.353 50 0 IIAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1 ZINC000015670327 526078414 /nfs/dbraw/zinc/07/84/14/526078414.db2.gz GLZLXBZRWTYXHK-GOSISDBHSA-N 0 0 428.521 4.229 50 0 IIAARN Cc1ccc2[nH]cc(CCNC(=O)CN3c4ccccc4Sc4ncccc4C3=O)c2c1 ZINC000021163396 526114402 /nfs/dbraw/zinc/11/44/02/526114402.db2.gz OTSWCQFEMRMTGZ-UHFFFAOYSA-N 0 0 442.544 4.342 50 0 IIAARN Cc1ccc2c(CC(=O)N[C@@H]3CCCc4c3cnn4-c3ccc(F)cc3F)cc(=O)oc2c1 ZINC000012596255 526123062 /nfs/dbraw/zinc/12/30/62/526123062.db2.gz ITXBQZQMUHQJAN-HXUWFJFHSA-N 0 0 449.457 4.302 50 0 IIAARN COc1cccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016309739 526133279 /nfs/dbraw/zinc/13/32/79/526133279.db2.gz SEJWOLZXHKJJPU-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012786393 526144324 /nfs/dbraw/zinc/14/43/24/526144324.db2.gz UQOOVRZSWSPEPY-UHFFFAOYSA-N 0 0 432.973 4.029 50 0 IIAARN Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3ccc(Cn4cncn4)cc3)cc12 ZINC000012388848 526148801 /nfs/dbraw/zinc/14/88/01/526148801.db2.gz AFPFKALOYXRNEY-UHFFFAOYSA-N 0 0 446.507 4.100 50 0 IIAARN Cc1ccc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc1 ZINC000033312918 526175440 /nfs/dbraw/zinc/17/54/40/526175440.db2.gz GYPRZFPFCSGWME-NRFANRHFSA-N 0 0 428.598 4.059 50 0 IIAARN COc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533558 526181017 /nfs/dbraw/zinc/18/10/17/526181017.db2.gz WCMQSRACVRVKRY-ZDUSSCGKSA-N 0 0 429.571 4.062 50 0 IIAARN C[C@H](c1nnc(SCC(=O)N(C)C2CCCCC2)n1-c1ccc(Cl)cc1)N(C)C ZINC000022620695 526188214 /nfs/dbraw/zinc/18/82/14/526188214.db2.gz LKSBIJUHUWAQMC-OAHLLOKOSA-N 0 0 436.025 4.427 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Cc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002931400 555864175 /nfs/dbraw/zinc/86/41/75/555864175.db2.gz HCUAYVKSBRPLPJ-GOSISDBHSA-N 0 0 426.513 4.207 50 0 IIAARN COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000002945356 555865054 /nfs/dbraw/zinc/86/50/54/555865054.db2.gz PDUAIQSYECUBEX-OCCSQVGLSA-N 0 0 437.249 4.226 50 0 IIAARN Cc1cc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1Br ZINC000002978440 555870636 /nfs/dbraw/zinc/87/06/36/555870636.db2.gz HJSGIVODZSKLQX-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCc2ccccc2)cc1 ZINC000002995666 555876048 /nfs/dbraw/zinc/87/60/48/555876048.db2.gz GLIRKASXJXJKLQ-HAVVHWLPSA-N 0 0 434.923 4.478 50 0 IIAARN O=C(NCc1ccco1)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000002998212 555876604 /nfs/dbraw/zinc/87/66/04/555876604.db2.gz DJZCRSMLJVLQOV-UNOMPAQXSA-N 0 0 425.282 4.129 50 0 IIAARN O=C(CCCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002999919 555877638 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IIAARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000034810129 555908432 /nfs/dbraw/zinc/90/84/32/555908432.db2.gz SVBBJSZAQJWRJY-UHFFFAOYSA-N 0 0 431.496 4.183 50 0 IIAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034812917 555909710 /nfs/dbraw/zinc/90/97/10/555909710.db2.gz YQBIIIALABLHGE-UHFFFAOYSA-N 0 0 431.467 4.476 50 0 IIAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000034813456 555910377 /nfs/dbraw/zinc/91/03/77/555910377.db2.gz YYVZEVCEWRBKFX-UHFFFAOYSA-N 0 0 427.504 4.266 50 0 IIAARN COC(=O)c1c2c(sc1NC1=NS(=O)(=O)c3ccccc31)C[C@@H](C(C)(C)C)CC2 ZINC000003272720 555912051 /nfs/dbraw/zinc/91/20/51/555912051.db2.gz HRFDSADGGLZCNG-LBPRGKRZSA-N 0 0 432.567 4.247 50 0 IIAARN COCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000034846746 555915349 /nfs/dbraw/zinc/91/53/49/555915349.db2.gz QGPLUWKGMLZESJ-UHFFFAOYSA-N 0 0 446.588 4.390 50 0 IIAARN COc1cccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)c2cccc(F)c2)C(C)C)c1 ZINC000034795714 555917727 /nfs/dbraw/zinc/91/77/27/555917727.db2.gz KGPNWOJUONDTGN-VWLOTQADSA-N 0 0 449.526 4.118 50 0 IIAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000034904599 555919027 /nfs/dbraw/zinc/91/90/27/555919027.db2.gz DZDGNVRKSMNPOY-UHFFFAOYSA-N 0 0 435.286 4.141 50 0 IIAARN CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000034905247 555919531 /nfs/dbraw/zinc/91/95/31/555919531.db2.gz NAJBEUJQYKACAU-RTBURBONSA-N 0 0 429.586 4.378 50 0 IIAARN CCNC(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034906260 555920272 /nfs/dbraw/zinc/92/02/72/555920272.db2.gz XEFHNVXBHGVORK-UHFFFAOYSA-N 0 0 444.601 4.206 50 0 IIAARN CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905956 555920363 /nfs/dbraw/zinc/92/03/63/555920363.db2.gz JSIHAJDGBZHWBJ-CVEARBPZSA-N 0 0 433.549 4.065 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)NC3CCC(NC(=O)NC(C)(C)C)CC3)cs2)cc1 ZINC000034906154 555920411 /nfs/dbraw/zinc/92/04/11/555920411.db2.gz NESRBCBRBCYZKA-UHFFFAOYSA-N 0 0 444.601 4.169 50 0 IIAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)C)N(Cc1ccccc1F)CC2 ZINC000034855804 555924401 /nfs/dbraw/zinc/92/44/01/555924401.db2.gz LGWVHBZCCYZRMP-HJPURHCSSA-N 0 0 429.536 4.038 50 0 IIAARN COc1ccc(CCN(C)C(=O)c2cn3c(n2)CC[C@H](c2cccc(F)c2)C3)cc1OC ZINC000034898511 555927897 /nfs/dbraw/zinc/92/78/97/555927897.db2.gz PDZJTRXTOWPIDZ-IBGZPJMESA-N 0 0 437.515 4.084 50 0 IIAARN CC(=O)N1CCN(C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)CC1 ZINC000034922147 555932610 /nfs/dbraw/zinc/93/26/10/555932610.db2.gz GDWVFSZFDDOFMO-UHFFFAOYSA-N 0 0 445.494 4.393 50 0 IIAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)COCc2ccccc2)cc1OC ZINC000034912610 555934499 /nfs/dbraw/zinc/93/44/99/555934499.db2.gz NBKGUWDXAFRPRH-UHFFFAOYSA-N 0 0 431.492 4.482 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1I ZINC000003538267 555938463 /nfs/dbraw/zinc/93/84/63/555938463.db2.gz JBCVYKWMTGNHOU-UHFFFAOYSA-N 0 0 437.262 4.072 50 0 IIAARN Cc1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000003612552 555940808 /nfs/dbraw/zinc/94/08/08/555940808.db2.gz DACMODIKTCWJTG-UHFFFAOYSA-N 0 0 438.549 4.287 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1cccc(OC(C)=O)c1)N(C(C)=O)c1ccccc1-2 ZINC000003640764 555942987 /nfs/dbraw/zinc/94/29/87/555942987.db2.gz CNQYCCWDBIYMNV-OAQYLSRUSA-N 0 0 436.493 4.020 50 0 IIAARN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000004097345 555961960 /nfs/dbraw/zinc/96/19/60/555961960.db2.gz GGXICVAJURFBLW-RDSJPUOVSA-N 0 0 432.601 4.186 50 0 in-vitro IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(C)cc4)cc3C2=O)cc1 ZINC000004175268 555973105 /nfs/dbraw/zinc/97/31/05/555973105.db2.gz IFKOZCAKIOSWKC-UHFFFAOYSA-N 0 0 443.455 4.234 50 0 IIAARN O=C(OC12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000004583757 556002892 /nfs/dbraw/zinc/00/28/92/556002892.db2.gz BTXMZTWROTVEOU-ZCUVORPTSA-N 0 0 429.516 4.406 50 0 IIAARN CCc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005012815 556028312 /nfs/dbraw/zinc/02/83/12/556028312.db2.gz SKWVBTKQWSXASU-HXUWFJFHSA-N 0 0 425.550 4.442 50 0 IIAARN COc1cc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc(OC)c1OC ZINC000006190539 556080049 /nfs/dbraw/zinc/08/00/49/556080049.db2.gz FRYZAWIAHUQYIL-UHFFFAOYSA-N 0 0 445.903 4.467 50 0 IIAARN CC1(C)C[C@H](n2c3nnc(S)n3c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 ZINC000006232509 556081371 /nfs/dbraw/zinc/08/13/71/556081371.db2.gz ULDQKVOIHSFEHQ-MRXNPFEDSA-N 0 0 436.581 4.345 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C(C)C)cc2)c(OC)c1 ZINC000006237896 556081700 /nfs/dbraw/zinc/08/17/00/556081700.db2.gz MFRXLSRLKNKLGJ-QFIPXVFZSA-N 0 0 433.512 4.346 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000006296230 556084122 /nfs/dbraw/zinc/08/41/22/556084122.db2.gz YAGDQQYYBBNHHU-KRWDZBQOSA-N 0 0 440.521 4.210 50 0 IIAARN C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000006427565 556086949 /nfs/dbraw/zinc/08/69/49/556086949.db2.gz HQROLVLIUKWAKJ-RBZFPXEDSA-N 0 0 426.314 4.357 50 0 IIAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2F)c(OC)cc1Cl ZINC000006461719 556090043 /nfs/dbraw/zinc/09/00/43/556090043.db2.gz FAEYHUIHVKERCY-LJQANCHMSA-N 0 0 443.866 4.015 50 0 IIAARN CCCC[C@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000006481578 556091062 /nfs/dbraw/zinc/09/10/62/556091062.db2.gz ZAUZAQDAHGLIAO-LMDMDPCDSA-N 0 0 431.532 4.389 50 0 IIAARN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(S(=O)(=O)c1ccc(C)cc1)c2=O ZINC000002692541 556120499 /nfs/dbraw/zinc/12/04/99/556120499.db2.gz CJEMXTSHZVDKDZ-UHFFFAOYSA-N 0 0 449.528 4.208 50 0 IIAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002720569 556126834 /nfs/dbraw/zinc/12/68/34/556126834.db2.gz UFGHYWYMFGADIH-UHFFFAOYSA-N 0 0 448.426 4.044 50 0 IIAARN COC(=O)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003012384 556155848 /nfs/dbraw/zinc/15/58/48/556155848.db2.gz DRWNHLIQGXLAGV-QMMMGPOBSA-N 0 0 425.552 4.332 50 0 IIAARN CCOc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)cc1 ZINC000002716344 556130804 /nfs/dbraw/zinc/13/08/04/556130804.db2.gz NJCVXARRGQWUTA-UHFFFAOYSA-N 0 0 430.504 4.301 50 0 IIAARN Cc1ccccc1CN1CCc2c(OCC(=O)N3CCc4ccccc43)cccc2C1=O ZINC000002716581 556131378 /nfs/dbraw/zinc/13/13/78/556131378.db2.gz GNRVSGTWEJMENJ-UHFFFAOYSA-N 0 0 426.516 4.162 50 0 IIAARN CCCOc1ccc(N2C(=O)C=C(n3cnc4ccccc43)C2=O)cc1Br ZINC000002728027 556133561 /nfs/dbraw/zinc/13/35/61/556133561.db2.gz GKYXGOVSYVLWPF-UHFFFAOYSA-N 0 0 426.270 4.002 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1N1C(=S)N=NC1[C@@H](C)n1cc(Cl)cn1 ZINC000002731472 556134513 /nfs/dbraw/zinc/13/45/13/556134513.db2.gz JSAZLYCDHXKMKH-OAHLLOKOSA-N 0 0 427.965 4.185 50 0 IIAARN COc1cc(OC)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1Cl ZINC000002736080 556135450 /nfs/dbraw/zinc/13/54/50/556135450.db2.gz OKESCUSLTPJFON-UHFFFAOYSA-N 0 0 438.661 4.478 50 0 IIAARN CCSc1nnc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)s1 ZINC000002780964 556141899 /nfs/dbraw/zinc/14/18/99/556141899.db2.gz CACCHXWXOSIDJS-UHFFFAOYSA-N 0 0 442.364 4.120 50 0 IIAARN COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)o1 ZINC000002796354 556145517 /nfs/dbraw/zinc/14/55/17/556145517.db2.gz VYZVHPVBEZXVJT-UHFFFAOYSA-N 0 0 438.871 4.413 50 0 IIAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccccc3Cl)c2c1C ZINC000002912244 556148738 /nfs/dbraw/zinc/14/87/38/556148738.db2.gz FNXMJGIMDWICND-UHFFFAOYSA-N 0 0 433.917 4.157 50 0 IIAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000002970697 556152207 /nfs/dbraw/zinc/15/22/07/556152207.db2.gz DXWXABBQASKYBR-UHFFFAOYSA-N 0 0 445.947 4.494 50 0 IIAARN COC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003012390 556155809 /nfs/dbraw/zinc/15/58/09/556155809.db2.gz BKJWFAKFHWEICD-MRVPVSSYSA-N 0 0 425.552 4.332 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000003022487 556157317 /nfs/dbraw/zinc/15/73/17/556157317.db2.gz ZAGCTTVLDWJLKN-HOTGVXAUSA-N 0 0 434.533 4.143 50 0 IIAARN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000008383728 556159470 /nfs/dbraw/zinc/15/94/70/556159470.db2.gz LBSBGUFTIRUJOZ-HNNXBMFYSA-N 0 0 445.313 4.008 50 0 IIAARN CCc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(CC)cc2)cc1 ZINC000008400330 556165888 /nfs/dbraw/zinc/16/58/88/556165888.db2.gz DCKLDDWYYVSHOE-UHFFFAOYSA-N 0 0 440.584 4.062 50 0 IIAARN CC(C)C[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008414433 556167379 /nfs/dbraw/zinc/16/73/79/556167379.db2.gz CUMDEUAPESQAAD-JNVBVNAASA-N 0 0 431.532 4.245 50 0 IIAARN CN(c1ccc(C(=O)NCCSCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000008426410 556168825 /nfs/dbraw/zinc/16/88/25/556168825.db2.gz IKNPNWFTAFWZPW-UHFFFAOYSA-N 0 0 440.590 4.175 50 0 IIAARN O=c1/c(=C/c2ccc(OCCCOc3ccccc3)cc2)sc2nc3ccccc3n12 ZINC000008426251 556168877 /nfs/dbraw/zinc/16/88/77/556168877.db2.gz IQEKNAQMGHJLTD-QJOMJCCJSA-N 0 0 428.513 4.305 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000008432892 556172062 /nfs/dbraw/zinc/17/20/62/556172062.db2.gz ARBIXLSVTNMSCI-UHFFFAOYSA-N 0 0 427.551 4.396 50 0 IIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3n2)c1 ZINC000008436961 556173706 /nfs/dbraw/zinc/17/37/06/556173706.db2.gz QUXNTJZEQNPAJO-UHFFFAOYSA-N 0 0 440.425 4.396 50 0 IIAARN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000008438591 556174627 /nfs/dbraw/zinc/17/46/27/556174627.db2.gz MPPJUUNAEDUANC-VUMQFKOGSA-N 0 0 446.584 4.248 50 0 IIAARN Cc1cccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c1 ZINC000008452064 556182425 /nfs/dbraw/zinc/18/24/25/556182425.db2.gz DGIPIXVOSCFGRT-NGSHPTGOSA-N 0 0 436.511 4.378 50 0 IIAARN COC(=O)[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1 ZINC000008452324 556182842 /nfs/dbraw/zinc/18/28/42/556182842.db2.gz VHYAFUXHXVNYCL-ODBUYGAISA-N 0 0 432.358 4.481 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008613946 556192185 /nfs/dbraw/zinc/19/21/85/556192185.db2.gz RENRILJMSOKGQH-UHFFFAOYSA-N 0 0 438.487 4.325 50 0 IIAARN O=C(Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)NCc1ccccc1 ZINC000008739413 556205920 /nfs/dbraw/zinc/20/59/20/556205920.db2.gz FLFMZOSSJUQUHF-UHFFFAOYSA-N 0 0 436.324 4.348 50 0 IIAARN COc1ccc(C2=NN(C(=O)COc3cccc4c3CCC[C@@H]4O)[C@@H](c3ccco3)C2)cc1 ZINC000008745366 556209053 /nfs/dbraw/zinc/20/90/53/556209053.db2.gz HEFLDBZXZGJCOW-PKTZIBPZSA-N 0 0 446.503 4.415 50 0 IIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000008815772 556217077 /nfs/dbraw/zinc/21/70/77/556217077.db2.gz APMHZTZEODCILM-REZTVBANSA-N 0 0 430.869 4.052 50 0 biogenic,in-vitro IIAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845428 556226767 /nfs/dbraw/zinc/22/67/67/556226767.db2.gz KSODDYFSZSONPT-DEOSSOPVSA-N 0 0 426.476 4.321 50 0 IIAARN CCn1c(S[C@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1cccnc1 ZINC000008883095 556230583 /nfs/dbraw/zinc/23/05/83/556230583.db2.gz SFUZJSQALMMIII-CYBMUJFWSA-N 0 0 443.602 4.379 50 0 IIAARN CCOc1cc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc(OCC)c1OCC ZINC000008904592 556231291 /nfs/dbraw/zinc/23/12/91/556231291.db2.gz QQUDOFSNRKKASY-UHFFFAOYSA-N 0 0 446.613 4.312 50 0 IIAARN Cc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000008918657 556233132 /nfs/dbraw/zinc/23/31/32/556233132.db2.gz ALLCNXXXQQPKQP-UHFFFAOYSA-N 0 0 429.321 4.200 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000009012977 556240996 /nfs/dbraw/zinc/24/09/96/556240996.db2.gz UWJHXVJAEJXRJC-UHFFFAOYSA-N 0 0 442.566 4.239 50 0 IIAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)NC(Nc2nc3ccccc3s2)=N1 ZINC000009043449 556242336 /nfs/dbraw/zinc/24/23/36/556242336.db2.gz XWQNKJFKDHKGIR-LJQANCHMSA-N 0 0 441.516 4.258 50 0 IIAARN CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000009095018 556246504 /nfs/dbraw/zinc/24/65/04/556246504.db2.gz YOGRSVQYZRMCKF-UHFFFAOYSA-N 0 0 438.549 4.249 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197259 556255364 /nfs/dbraw/zinc/25/53/64/556255364.db2.gz VPPFMRMTXGWMNP-OALUTQOASA-N 0 0 443.960 4.209 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009199824 556257356 /nfs/dbraw/zinc/25/73/56/556257356.db2.gz JLEHZJDGALJRMT-CYBMUJFWSA-N 0 0 442.928 4.281 50 0 IIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC[C@H]2C)cc1 ZINC000009236527 556264147 /nfs/dbraw/zinc/26/41/47/556264147.db2.gz AQUIQRGJVJJZAV-CZAAIQMYSA-N 0 0 449.580 4.114 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1Br)S2 ZINC000009237873 556264359 /nfs/dbraw/zinc/26/43/59/556264359.db2.gz YOYXMQDEDWKSRG-IAGOWNOFSA-N 0 0 444.358 4.055 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000009238598 556265087 /nfs/dbraw/zinc/26/50/87/556265087.db2.gz QXDDPMCUUXPHLX-OALUTQOASA-N 0 0 443.960 4.263 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1C)S2 ZINC000009239147 556265629 /nfs/dbraw/zinc/26/56/29/556265629.db2.gz SONVQVRFJGJKIM-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN COC(=O)[C@H](CC(=O)c1ccc(Br)cc1)c1cc(=O)oc2cc(OC)ccc21 ZINC000013690965 556280471 /nfs/dbraw/zinc/28/04/71/556280471.db2.gz SPEHMBPTAXEEEL-QGZVFWFLSA-N 0 0 445.265 4.094 50 0 IIAARN O=S1(=O)C[C@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccccc3)[C@@H]2C1 ZINC000009344255 556283780 /nfs/dbraw/zinc/28/37/80/556283780.db2.gz BNYXICNYSZGCFN-IAGOWNOFSA-N 0 0 427.378 4.268 50 0 IIAARN COc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccccc2OC)cc1 ZINC000009371662 556286392 /nfs/dbraw/zinc/28/63/92/556286392.db2.gz VHUMJECEXHHYAP-QFIPXVFZSA-N 0 0 447.487 4.183 50 0 IIAARN COc1cccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2OC)c1 ZINC000009371677 556286462 /nfs/dbraw/zinc/28/64/62/556286462.db2.gz IYIXYABYSFETPW-JOCHJYFZSA-N 0 0 447.487 4.183 50 0 IIAARN O=c1c2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc2ncn1Cc1ccccc1 ZINC000009409572 556287738 /nfs/dbraw/zinc/28/77/38/556287738.db2.gz ZSDWMGVNNNTLRW-UHFFFAOYSA-N 0 0 439.924 4.040 50 0 IIAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC(c3ccccc3)c3ccccc3)cc2O1 ZINC000009409526 556287853 /nfs/dbraw/zinc/28/78/53/556287853.db2.gz VHWCNNSMVFMDNL-UHFFFAOYSA-N 0 0 445.515 4.463 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000009436368 556291796 /nfs/dbraw/zinc/29/17/96/556291796.db2.gz XASSAIPNACJNFX-UHFFFAOYSA-N 0 0 449.276 4.085 50 0 IIAARN COc1cccc(OC)c1Oc1ccc2nnc(-c3ccc(Br)cc3)n2n1 ZINC000013726102 556292794 /nfs/dbraw/zinc/29/27/94/556292794.db2.gz PORLDLUTPCJDNH-UHFFFAOYSA-N 0 0 427.258 4.363 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCc3c(Cl)cccc3Cl)N(c3ccc(F)cc3)[C@H]2C1 ZINC000013733651 556296760 /nfs/dbraw/zinc/29/67/60/556296760.db2.gz WTUGLWQXVRJYLY-IRXDYDNUSA-N 0 0 445.368 4.408 50 0 IIAARN COc1cccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 ZINC000009581258 556300538 /nfs/dbraw/zinc/30/05/38/556300538.db2.gz DVEZJVXEASEEOH-AWEZNQCLSA-N 0 0 427.913 4.464 50 0 IIAARN Cc1c2cc3c(cc2[nH]c(=O)c1SCC(=O)Nc1ccc(Br)cc1)OCO3 ZINC000009593158 556301475 /nfs/dbraw/zinc/30/14/75/556301475.db2.gz BWJIPISDGDJVFE-UHFFFAOYSA-N 0 0 447.310 4.059 50 0 IIAARN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000013770574 556305328 /nfs/dbraw/zinc/30/53/28/556305328.db2.gz LGLDVSSHEMQHGF-SBUREZEXSA-N 0 0 449.503 4.151 50 0 IIAARN CCOC(=O)N1CCC(NC(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 ZINC000032732216 556305574 /nfs/dbraw/zinc/30/55/74/556305574.db2.gz AUQRXLKKTSHEHV-UHFFFAOYSA-N 0 0 439.537 4.471 50 0 IIAARN COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000009780878 556308629 /nfs/dbraw/zinc/30/86/29/556308629.db2.gz PDUAIQSYECUBEX-JSGCOSHPSA-N 0 0 437.249 4.226 50 0 IIAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000009830295 556310329 /nfs/dbraw/zinc/31/03/29/556310329.db2.gz CGCLEUKKJGXQCS-HXUWFJFHSA-N 0 0 448.523 4.488 50 0 IIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753638 556322846 /nfs/dbraw/zinc/32/28/46/556322846.db2.gz ZDFLDSNWRILRES-XZOQPEGZSA-N 0 0 432.520 4.178 50 0 IIAARN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000032753504 556322892 /nfs/dbraw/zinc/32/28/92/556322892.db2.gz FHUSGSABUTUDPS-FQEVSTJZSA-N 0 0 428.483 4.153 50 0 IIAARN CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000032755277 556324465 /nfs/dbraw/zinc/32/44/65/556324465.db2.gz TULOVSXJIRMHOO-UHFFFAOYSA-N 0 0 430.547 4.184 50 0 IIAARN CSc1nsc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 ZINC000010060485 556324656 /nfs/dbraw/zinc/32/46/56/556324656.db2.gz OEOMSKVFTJEKCO-UHFFFAOYSA-N 0 0 427.627 4.135 50 0 IIAARN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(F)cc1F ZINC000032764805 556332210 /nfs/dbraw/zinc/33/22/10/556332210.db2.gz RFGHBEOYTYRPSU-UHFFFAOYSA-N 0 0 425.501 4.070 50 0 IIAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)[C@@H]2Cc3ccccc3O2)sc1C ZINC000032768480 556333226 /nfs/dbraw/zinc/33/32/26/556333226.db2.gz YKDGOXJDGJUCOG-FQEVSTJZSA-N 0 0 436.533 4.208 50 0 IIAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)cc12 ZINC000032769642 556334163 /nfs/dbraw/zinc/33/41/63/556334163.db2.gz WKJYTBKCWRYQSQ-UHFFFAOYSA-N 0 0 447.499 4.130 50 0 IIAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000032771510 556335161 /nfs/dbraw/zinc/33/51/61/556335161.db2.gz FPDILTPLCQTOHT-MRXNPFEDSA-N 0 0 429.480 4.116 50 0 IIAARN C/C=C(/C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@H]1OC(=O)/C(C)=C\C ZINC000013459308 556340863 /nfs/dbraw/zinc/34/08/63/556340863.db2.gz LBKPHBYDOWPFMZ-UWOGZXHISA-N 0 0 426.465 4.393 50 0 biogenic IIAARN COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccc(C)cc45)C3)sc2c1 ZINC000013944657 556341938 /nfs/dbraw/zinc/34/19/38/556341938.db2.gz LXCMAAKJFNNAOE-MRXNPFEDSA-N 0 0 448.548 4.124 50 0 IIAARN COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(C)cc45)C3)sc2c1 ZINC000013944656 556341967 /nfs/dbraw/zinc/34/19/67/556341967.db2.gz LXCMAAKJFNNAOE-INIZCTEOSA-N 0 0 448.548 4.124 50 0 IIAARN CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944941 556342355 /nfs/dbraw/zinc/34/23/55/556342355.db2.gz VIRMNPSUDIPRLX-OAHLLOKOSA-N 0 0 443.548 4.092 50 0 IIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1cc3ccccc3nc1Cl)C2=O ZINC000032569662 556342857 /nfs/dbraw/zinc/34/28/57/556342857.db2.gz ZDSUMZCAVAIWAA-FATZIPQQSA-N 0 0 443.931 4.068 50 0 IIAARN O=C(c1ccc(COc2ccccc2Cl)cc1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000013958077 556345543 /nfs/dbraw/zinc/34/55/43/556345543.db2.gz AXVSGYQUKZHUMS-IBGZPJMESA-N 0 0 430.785 4.340 50 0 IIAARN Cc1cccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Br)n2)c1 ZINC000013957862 556345562 /nfs/dbraw/zinc/34/55/62/556345562.db2.gz DOCOENGZQFSEAD-UHFFFAOYSA-N 0 0 436.693 4.156 50 0 IIAARN COc1ccc(F)cc1CN1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000032781095 556346694 /nfs/dbraw/zinc/34/66/94/556346694.db2.gz YWROMTATYLNPDQ-UHFFFAOYSA-N 0 0 432.495 4.023 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011716001 556348482 /nfs/dbraw/zinc/34/84/82/556348482.db2.gz ROPDKZPTJZZPJN-HSZRJFAPSA-N 0 0 446.450 4.113 50 0 IIAARN CSCC[C@H]1NC(=S)N(Cc2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000032778506 556351373 /nfs/dbraw/zinc/35/13/73/556351373.db2.gz GSVUYRKEZRRDFB-CQSZACIVSA-N 0 0 425.373 4.048 50 0 IIAARN Cc1cc(NC(=O)CCS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)no1 ZINC000032778799 556351834 /nfs/dbraw/zinc/35/18/34/556351834.db2.gz MMUXMPJVEPLCCS-NSHDSACASA-N 0 0 430.511 4.364 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NCCC1=CCCCC1 ZINC000014021658 556356771 /nfs/dbraw/zinc/35/67/71/556356771.db2.gz QMOZZVANSWXYED-QHCPKHFHSA-N 0 0 442.600 4.288 50 0 IIAARN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000011813353 556356900 /nfs/dbraw/zinc/35/69/00/556356900.db2.gz CAWMYVAQUZRTOE-GOSISDBHSA-N 0 0 425.916 4.201 50 0 IIAARN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795713 556358249 /nfs/dbraw/zinc/35/82/49/556358249.db2.gz GDMPSIDPYZKBIL-WBMJQRKESA-N 0 0 449.345 4.294 50 0 IIAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000014067536 556359672 /nfs/dbraw/zinc/35/96/72/556359672.db2.gz WOACNWSNOWYUNF-GOSISDBHSA-N 0 0 434.546 4.206 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)cc1 ZINC000014075327 556361400 /nfs/dbraw/zinc/36/14/00/556361400.db2.gz SYIIDLKHDFOOOT-IRXDYDNUSA-N 0 0 440.569 4.385 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1c1nccs1 ZINC000011820387 556362377 /nfs/dbraw/zinc/36/23/77/556362377.db2.gz ZPIHXDTXYCPSAN-IBGZPJMESA-N 0 0 431.565 4.400 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000032802265 556365089 /nfs/dbraw/zinc/36/50/89/556365089.db2.gz CTLZFCXQQZGSSA-QGZVFWFLSA-N 0 0 427.917 4.379 50 0 IIAARN Cc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)s1 ZINC000011842501 556365925 /nfs/dbraw/zinc/36/59/25/556365925.db2.gz GJXKZYDDNSSJJD-INIZCTEOSA-N 0 0 427.599 4.263 50 0 IIAARN Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 ZINC000011874908 556371063 /nfs/dbraw/zinc/37/10/63/556371063.db2.gz QZHKDSGCZKCAKE-SFHVURJKSA-N 0 0 437.521 4.384 50 0 IIAARN COc1cc(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc2c1OCO2 ZINC000011881549 556373303 /nfs/dbraw/zinc/37/33/03/556373303.db2.gz VWJXJADSMVBJGB-QFIPXVFZSA-N 0 0 433.504 4.095 50 0 IIAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000014141968 556377261 /nfs/dbraw/zinc/37/72/61/556377261.db2.gz RHEGVRWXONOJLB-UHFFFAOYSA-N 0 0 434.517 4.119 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc12 ZINC000014180461 556382232 /nfs/dbraw/zinc/38/22/32/556382232.db2.gz PUAPUKHOPZEGOI-UHFFFAOYSA-N 0 0 430.618 4.317 50 0 IIAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc(C)nc2C)cc1 ZINC000011996863 556384054 /nfs/dbraw/zinc/38/40/54/556384054.db2.gz NQLHSDOPRGMLKK-XMMPIXPASA-N 0 0 431.565 4.272 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000014185864 556385449 /nfs/dbraw/zinc/38/54/49/556385449.db2.gz MLTKYICBGPJUFT-VWLOTQADSA-N 0 0 432.545 4.399 50 0 IIAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)NCc1ccccc1Cl ZINC000012031725 556388813 /nfs/dbraw/zinc/38/88/13/556388813.db2.gz UFFMKMFPOOZQCM-MRXNPFEDSA-N 0 0 428.916 4.018 50 0 IIAARN COc1ccccc1[C@@H]1CN(CCNC(=O)c2sc(C)nc2C)Cc2ccccc2O1 ZINC000012034366 556389227 /nfs/dbraw/zinc/38/92/27/556389227.db2.gz ZOJDGKBNDDVKHY-QFIPXVFZSA-N 0 0 437.565 4.134 50 0 IIAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014198019 556389514 /nfs/dbraw/zinc/38/95/14/556389514.db2.gz XYNHBLVEXFWBFI-UHFFFAOYSA-N 0 0 430.614 4.150 50 0 IIAARN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000032809304 556394078 /nfs/dbraw/zinc/39/40/78/556394078.db2.gz JAZZTKGFJIGMAT-GFCCVEGCSA-N 0 0 445.343 4.408 50 0 IIAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012057740 556394976 /nfs/dbraw/zinc/39/49/76/556394976.db2.gz AXZSQEPUJYOBBA-JOCHJYFZSA-N 0 0 441.938 4.076 50 0 IIAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)c2ccccc2)CC1=O ZINC000012062139 556395480 /nfs/dbraw/zinc/39/54/80/556395480.db2.gz WZFMHRFXZHBVID-IBGZPJMESA-N 0 0 425.488 4.448 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 ZINC000012062150 556395533 /nfs/dbraw/zinc/39/55/33/556395533.db2.gz FPROQAXIWRFHRB-HXUWFJFHSA-N 0 0 430.552 4.124 50 0 IIAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 ZINC000012062127 556395536 /nfs/dbraw/zinc/39/55/36/556395536.db2.gz YGZHZEBIIDEJNR-FQEVSTJZSA-N 0 0 430.552 4.124 50 0 IIAARN CN(C)C(=O)[C@H]1CN(C(=O)CCCSc2nc3ccccc3s2)c2ccccc2O1 ZINC000032810480 556396978 /nfs/dbraw/zinc/39/69/78/556396978.db2.gz IIMLEQRNIRRVGE-GOSISDBHSA-N 0 0 441.578 4.051 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C1 ZINC000014237321 556399677 /nfs/dbraw/zinc/39/96/77/556399677.db2.gz GJKSZWFERPMOEH-ROUUACIJSA-N 0 0 444.622 4.496 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)cc1N1CCCC1=O ZINC000014237689 556399980 /nfs/dbraw/zinc/39/99/80/556399980.db2.gz SUOQGRNMQHGDOH-UHFFFAOYSA-N 0 0 435.307 4.212 50 0 IIAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000014241715 556402038 /nfs/dbraw/zinc/40/20/38/556402038.db2.gz 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HVPJXYJOMOENPP-AVRDEDQJSA-N 0 0 444.597 4.169 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](/C=C/c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000015016706 556486271 /nfs/dbraw/zinc/48/62/71/556486271.db2.gz YXCFUKNQWNANMB-RDPWEWGOSA-N 0 0 434.521 4.444 50 0 IIAARN Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)cc2)co1 ZINC000029953795 556487322 /nfs/dbraw/zinc/48/73/22/556487322.db2.gz AFHOFJOGKVIGAK-HNNXBMFYSA-N 0 0 440.297 4.404 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013145667 556488067 /nfs/dbraw/zinc/48/80/67/556488067.db2.gz XMXAFUGGIKUSPF-QFIPXVFZSA-N 0 0 431.540 4.065 50 0 IIAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030013213 556489266 /nfs/dbraw/zinc/48/92/66/556489266.db2.gz UROZGQOOOUGQPE-SFHVURJKSA-N 0 0 432.524 4.479 50 0 IIAARN CN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029979 556489917 /nfs/dbraw/zinc/48/99/17/556489917.db2.gz SFZUDZSYTMGNGS-LOSJGSFVSA-N 0 0 427.548 4.063 50 0 IIAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000015064468 556492165 /nfs/dbraw/zinc/49/21/65/556492165.db2.gz ZRFBNWIVXLKMLO-NRFANRHFSA-N 0 0 444.535 4.282 50 0 IIAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000030399228 556493942 /nfs/dbraw/zinc/49/39/42/556493942.db2.gz PNRLGOOZJHWBIP-UHFFFAOYSA-N 0 0 426.476 4.189 50 0 IIAARN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000015069443 556494620 /nfs/dbraw/zinc/49/46/20/556494620.db2.gz OCEKGUKOGRRLOC-AREMUKBSSA-N 0 0 431.536 4.495 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000030476658 556495157 /nfs/dbraw/zinc/49/51/57/556495157.db2.gz NUCFSMCOYRCJKW-UHFFFAOYSA-N 0 0 441.578 4.112 50 0 IIAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000013164028 556495344 /nfs/dbraw/zinc/49/53/44/556495344.db2.gz LJJYBGMMNGDYNR-RUZDIDTESA-N 0 0 429.476 4.067 50 0 IIAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Oc3ccccc3)cc2)C1=O ZINC000013164027 556495386 /nfs/dbraw/zinc/49/53/86/556495386.db2.gz LJJYBGMMNGDYNR-VWLOTQADSA-N 0 0 429.476 4.067 50 0 IIAARN Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000015072726 556497077 /nfs/dbraw/zinc/49/70/77/556497077.db2.gz LSMVXTZNQWSYFV-UHFFFAOYSA-N 0 0 441.601 4.044 50 0 IIAARN O=C1c2cccc(N3CCN(Cc4ccco4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000015072997 556497371 /nfs/dbraw/zinc/49/73/71/556497371.db2.gz MDCDEMYQPUPPJL-UHFFFAOYSA-N 0 0 435.911 4.051 50 0 IIAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)n1 ZINC000013164886 556497682 /nfs/dbraw/zinc/49/76/82/556497682.db2.gz FYYYRKLGKLOCBL-UHFFFAOYSA-N 0 0 434.565 4.015 50 0 IIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC000030580812 556498345 /nfs/dbraw/zinc/49/83/45/556498345.db2.gz ONNUBCVTRNOBPD-UHFFFAOYSA-N 0 0 431.418 4.067 50 0 IIAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cnc3n(c2=O)CCS3)cc1 ZINC000030582456 556498745 /nfs/dbraw/zinc/49/87/45/556498745.db2.gz NUCTXFNUGDYWEL-UHFFFAOYSA-N 0 0 448.548 4.151 50 0 IIAARN CCOc1ccccc1-c1noc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000030590396 556498995 /nfs/dbraw/zinc/49/89/95/556498995.db2.gz REIXSYVTOVVCTB-LJQANCHMSA-N 0 0 435.528 4.312 50 0 IIAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000030603405 556499284 /nfs/dbraw/zinc/49/92/84/556499284.db2.gz ORUJXVDOAJIYDZ-HXUWFJFHSA-N 0 0 438.524 4.474 50 0 IIAARN CCOc1ccc(NC2=C(C(=O)Nc3ccc(F)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000015084538 556501920 /nfs/dbraw/zinc/50/19/20/556501920.db2.gz WWNMBNYGQFTHJP-UHFFFAOYSA-N 0 0 438.480 4.431 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000015096409 556503575 /nfs/dbraw/zinc/50/35/75/556503575.db2.gz KVZQTIPOFFSPRU-MRXNPFEDSA-N 0 0 431.521 4.414 50 0 IIAARN C[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013402839 556504438 /nfs/dbraw/zinc/50/44/38/556504438.db2.gz RQNLFEOGMSXNEA-QGZVFWFLSA-N 0 0 428.941 4.413 50 0 IIAARN O=C(O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000013425128 556505574 /nfs/dbraw/zinc/50/55/74/556505574.db2.gz DNPZOTRCZLEXQU-IUHILOBXSA-N 0 0 444.524 4.089 50 0 biogenic IIAARN CCn1c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)nnc1-c1cccs1 ZINC000030787513 556505806 /nfs/dbraw/zinc/50/58/06/556505806.db2.gz CGDRHBLJSFPOJT-CYBMUJFWSA-N 0 0 427.584 4.119 50 0 IIAARN CC(=O)Nc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)cc1 ZINC000030781900 556505811 /nfs/dbraw/zinc/50/58/11/556505811.db2.gz JIIGEXOCKCPTJS-UHFFFAOYSA-N 0 0 428.315 4.024 50 0 IIAARN COc1ccc(NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)NC(=O)c2ccccc2)cc1 ZINC000013511559 556510579 /nfs/dbraw/zinc/51/05/79/556510579.db2.gz LHULREFBHRUPLS-XQNSMLJCSA-N 0 0 430.460 4.030 50 0 IIAARN CCCCCOc1c(Cl)cc(C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1Cl ZINC000013549232 556514714 /nfs/dbraw/zinc/51/47/14/556514714.db2.gz GJNNQHBBVZBBLD-UHFFFAOYSA-N 0 0 438.358 4.070 50 0 IIAARN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000072294865 556514729 /nfs/dbraw/zinc/51/47/29/556514729.db2.gz CWMJUDKHKGHCSU-OFAXGOBFSA-N 0 0 440.609 4.417 50 0 IIAARN Cc1c2cc3c(-c4ccc(F)cc4)coc3cc2oc(=O)c1CC(=O)NCCc1c[nH]cn1 ZINC000013552477 556515178 /nfs/dbraw/zinc/51/51/78/556515178.db2.gz ZNZXBIUYIOVXAK-UHFFFAOYSA-N 0 0 445.450 4.278 50 0 IIAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000013556658 556516794 /nfs/dbraw/zinc/51/67/94/556516794.db2.gz XRTBSOUYSOFXJB-BJKOFHAPSA-N 0 0 436.471 4.277 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1 ZINC000032718944 556518359 /nfs/dbraw/zinc/51/83/59/556518359.db2.gz LKXWRFOWBXVRIN-LBPRGKRZSA-N 0 0 445.894 4.205 50 0 IIAARN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074991 556519630 /nfs/dbraw/zinc/51/96/30/556519630.db2.gz RMTXPOHRPFWPDJ-VWLOTQADSA-N 0 0 431.536 4.003 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C(=O)c1ccc(Br)cc1)C(C)C ZINC000015320948 556520325 /nfs/dbraw/zinc/52/03/25/556520325.db2.gz JKYWIBVRPSOIRT-BZUAXINKSA-N 0 0 425.319 4.035 50 0 IIAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000013570468 556521925 /nfs/dbraw/zinc/52/19/25/556521925.db2.gz WIZAAERPWNPRNU-DEOSSOPVSA-N 0 0 446.507 4.013 50 0 IIAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 ZINC000013575610 556525632 /nfs/dbraw/zinc/52/56/32/556525632.db2.gz SNIAMCGDBZIFAU-UHFFFAOYSA-N 0 0 437.370 4.198 50 0 IIAARN COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2OC)cc1 ZINC000015413207 556526094 /nfs/dbraw/zinc/52/60/94/556526094.db2.gz FMDRMSXFPVWPNM-VWLOTQADSA-N 0 0 430.504 4.442 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000032900624 556529395 /nfs/dbraw/zinc/52/93/95/556529395.db2.gz XOMDZXQPQMJGOH-UHFFFAOYSA-N 0 0 439.475 4.239 50 0 IIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(Br)c(C)c1 ZINC000013607993 556533622 /nfs/dbraw/zinc/53/36/22/556533622.db2.gz CXUVHAQCHKZKJM-UHFFFAOYSA-N 0 0 430.302 4.235 50 0 IIAARN CCOc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000015548569 556534382 /nfs/dbraw/zinc/53/43/82/556534382.db2.gz DYCAWCCDAROXCQ-LJQANCHMSA-N 0 0 434.483 4.149 50 0 IIAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2SCC(N)=O)c2ccccc2)cc1 ZINC000015554591 556534662 /nfs/dbraw/zinc/53/46/62/556534662.db2.gz GIMAPLWPXSCDQX-JOCHJYFZSA-N 0 0 434.517 4.109 50 0 IIAARN O=C(NCCCNC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccs1 ZINC000013624751 556536795 /nfs/dbraw/zinc/53/67/95/556536795.db2.gz BURNRAJMUDUSMV-UHFFFAOYSA-N 0 0 432.501 4.071 50 0 IIAARN Cc1ccc2c(C)c(CCC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c(=O)oc2c1 ZINC000011084118 556537135 /nfs/dbraw/zinc/53/71/35/556537135.db2.gz XPIFIWZGRDSFJD-UHFFFAOYSA-N 0 0 429.520 4.246 50 0 IIAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc(Cn5cncn5)cc4)c(C)c3cc2c1C ZINC000013626501 556537328 /nfs/dbraw/zinc/53/73/28/556537328.db2.gz BXWOJYYOHZXVMJ-UHFFFAOYSA-N 0 0 442.475 4.285 50 0 IIAARN Cc1ccc2nc(CN3CC4(CCCC4)c4cc5c(cc4[C@@H]3C)OCCO5)cc(=O)n2c1 ZINC000011087392 556537359 /nfs/dbraw/zinc/53/73/59/556537359.db2.gz FPBGLSDEDHPRQC-SFHVURJKSA-N 0 0 431.536 4.163 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000015610179 556537938 /nfs/dbraw/zinc/53/79/38/556537938.db2.gz TTYDGCHSWMLRDL-SFHVURJKSA-N 0 0 443.297 4.123 50 0 IIAARN Cc1cc(=O)c(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)nn1-c1ccccc1F ZINC000015612662 556537970 /nfs/dbraw/zinc/53/79/70/556537970.db2.gz TWRSKHBRLMEUGP-NRFANRHFSA-N 0 0 437.471 4.400 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000032903101 556541855 /nfs/dbraw/zinc/54/18/55/556541855.db2.gz AOJSNALMCNXKDB-UHFFFAOYSA-N 0 0 449.454 4.173 50 0 IIAARN COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015701803 556544279 /nfs/dbraw/zinc/54/42/79/556544279.db2.gz OEYZXHKTIWOORH-UHFFFAOYSA-N 0 0 428.485 4.206 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000013658344 556546371 /nfs/dbraw/zinc/54/63/71/556546371.db2.gz JOPMZDNLMORPSK-QHAWAJNXSA-N 0 0 438.842 4.236 50 0 IIAARN CCOc1ccc(/C=C(/NC(=O)c2cccc(Br)c2)C(=O)N2CCCC2)cc1 ZINC000015745775 556547841 /nfs/dbraw/zinc/54/78/41/556547841.db2.gz VMPOVHDXFXGLIA-XSFVSMFZSA-N 0 0 443.341 4.241 50 0 IIAARN CCOc1ccccc1NC(=O)CCn1cnc2onc(-c3ccccc3Cl)c2c1=O ZINC000032933727 556549769 /nfs/dbraw/zinc/54/97/69/556549769.db2.gz HIXWRRPZUJTLQO-UHFFFAOYSA-N 0 0 438.871 4.132 50 0 IIAARN Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)Nc1cccc(Br)c1 ZINC000015778459 556550875 /nfs/dbraw/zinc/55/08/75/556550875.db2.gz PAHAOHPKRWOXHO-UHFFFAOYSA-N 0 0 441.285 4.141 50 0 IIAARN CC(=O)Nc1cc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)ccc1F ZINC000032906638 556553431 /nfs/dbraw/zinc/55/34/31/556553431.db2.gz KQOXUXVQNKPJRZ-UHFFFAOYSA-N 0 0 431.471 4.446 50 0 IIAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)c1C ZINC000015817050 556553674 /nfs/dbraw/zinc/55/36/74/556553674.db2.gz DPDBEAOLQMKVEP-GFCCVEGCSA-N 0 0 440.554 4.187 50 0 IIAARN CCc1cc(Sc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)n2ncnc2n1 ZINC000033114875 556554235 /nfs/dbraw/zinc/55/42/35/556554235.db2.gz YKWRHARZAKVEOZ-UHFFFAOYSA-N 0 0 435.509 4.107 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)c2c1C ZINC000032960063 556556085 /nfs/dbraw/zinc/55/60/85/556556085.db2.gz USBSQYFPTICMDE-LJQANCHMSA-N 0 0 431.540 4.205 50 0 IIAARN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 ZINC000015859647 556558284 /nfs/dbraw/zinc/55/82/84/556558284.db2.gz UXXYXCKNCGEFCU-HSZRJFAPSA-N 0 0 433.552 4.442 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000033274175 556558300 /nfs/dbraw/zinc/55/83/00/556558300.db2.gz VVZUQRIJFDGMME-LLVKDONJSA-N 0 0 448.319 4.475 50 0 IIAARN CCc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 ZINC000015859853 556558307 /nfs/dbraw/zinc/55/83/07/556558307.db2.gz RJBOGTGEDFJTHN-UHFFFAOYSA-N 0 0 430.913 4.194 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000033274530 556558483 /nfs/dbraw/zinc/55/84/83/556558483.db2.gz BCVGDOCDGLIFSH-UHFFFAOYSA-N 0 0 434.561 4.398 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)cc1 ZINC000015881931 556560583 /nfs/dbraw/zinc/56/05/83/556560583.db2.gz XIGOLXRLQSHWJX-UHFFFAOYSA-N 0 0 439.928 4.451 50 0 IIAARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC(=O)NCCc3c[nH]c4ccccc34)n2)c1 ZINC000072308651 556565593 /nfs/dbraw/zinc/56/55/93/556565593.db2.gz GCCFHKMZPFGRCL-DEOSSOPVSA-N 0 0 427.552 4.362 50 0 IIAARN Cc1sc2nc(CS[C@H](C)C(=O)N3CCCC[C@@H]3c3cccn3C)[nH]c(=O)c2c1C ZINC000072309248 556570487 /nfs/dbraw/zinc/57/04/87/556570487.db2.gz HJXIUAGICUXAJD-NVXWUHKLSA-N 0 0 444.626 4.315 50 0 IIAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)C[C@H](C)O1 ZINC000015979824 556570913 /nfs/dbraw/zinc/57/09/13/556570913.db2.gz WNIRQKKAXCXNFE-IYBDPMFKSA-N 0 0 432.565 4.317 50 0 IIAARN Cc1ccsc1C(=O)N(C)CCc1noc(COc2cccc(C(F)(F)F)c2)n1 ZINC000032961045 556571849 /nfs/dbraw/zinc/57/18/49/556571849.db2.gz LKKLCMCISJOGQL-UHFFFAOYSA-N 0 0 425.432 4.352 50 0 IIAARN O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016000094 556572398 /nfs/dbraw/zinc/57/23/98/556572398.db2.gz QUFLEUJBTUSCEY-CBPXPLCBSA-N 0 0 432.545 4.275 50 0 IIAARN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccccc1 ZINC000015745974 556572808 /nfs/dbraw/zinc/57/28/08/556572808.db2.gz FJSPOMBOKHMRJW-QHCPKHFHSA-N 0 0 446.503 4.444 50 0 IIAARN COc1ccc(C2=NN(C(=O)COc3ccc(-c4nnco4)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000016045467 556579298 /nfs/dbraw/zinc/57/92/98/556579298.db2.gz YPQNCBJKZOPEKU-OAQYLSRUSA-N 0 0 444.447 4.095 50 0 IIAARN COc1ccc(-n2c(SCC(=O)c3ccc(O)cc3)nc3ccccc3c2=O)cc1OC ZINC000016071361 556581659 /nfs/dbraw/zinc/58/16/59/556581659.db2.gz CNYADVWIGKSMFH-UHFFFAOYSA-N 0 0 448.500 4.084 50 0 IIAARN CCOC(=O)C1C(Nc2ccc(C)cc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000034896912 556586341 /nfs/dbraw/zinc/58/63/41/556586341.db2.gz KYSRVHAIFGMNEQ-HNVPCBRESA-N 0 0 437.536 4.342 50 0 IIAARN COc1cccc(C(=O)N2[C@H](C(=O)Nc3ccccc3F)COC23CCC(C)CC3)c1 ZINC000034921053 556586561 /nfs/dbraw/zinc/58/65/61/556586561.db2.gz LHKLNMPYVYWBIM-DLQTWLKSSA-N 0 0 426.488 4.220 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1C ZINC000016184015 556587470 /nfs/dbraw/zinc/58/74/70/556587470.db2.gz CJBBERZPEINJHG-LFIBNONCSA-N 0 0 449.580 4.095 50 0 IIAARN CCOC(=O)CN(CC(F)(F)F)C(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC000060247055 556588276 /nfs/dbraw/zinc/58/82/76/556588276.db2.gz OHNKSKNFPXEXBP-UHFFFAOYSA-N 0 0 426.869 4.401 50 0 IIAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000032970700 556588821 /nfs/dbraw/zinc/58/88/21/556588821.db2.gz ZLCYSACZORMOIL-SFHVURJKSA-N 0 0 439.560 4.477 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083873 556592784 /nfs/dbraw/zinc/59/27/84/556592784.db2.gz DFMAWWLWNVVXJF-HSZRJFAPSA-N 0 0 436.508 4.098 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)NC1CCC(NC(=O)[C@H](CC)Oc2ccccc2)CC1 ZINC000016246749 556593992 /nfs/dbraw/zinc/59/39/92/556593992.db2.gz IMDCXNKHQBOCER-DZRWWGTPSA-N 0 0 438.568 4.245 50 0 IIAARN COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000036370638 556597565 /nfs/dbraw/zinc/59/75/65/556597565.db2.gz SMDGYUXIZWCCHF-DSZWUSLFSA-N 0 0 441.524 4.414 50 0 IIAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](c3nc4ccccc4o3)C1)C2=O ZINC000032913322 556597640 /nfs/dbraw/zinc/59/76/40/556597640.db2.gz KYWSQQSJMCPJBU-ZEQOPOFZSA-N 0 0 438.572 4.492 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1 ZINC000016293591 556598584 /nfs/dbraw/zinc/59/85/84/556598584.db2.gz CRWDKGCRXNADRD-UHFFFAOYSA-N 0 0 443.547 4.283 50 0 IIAARN COC(=O)C1=CN(CCc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000016293804 556598918 /nfs/dbraw/zinc/59/89/18/556598918.db2.gz FTXNPTGUUGRWNL-UHFFFAOYSA-N 0 0 429.875 4.235 50 0 IIAARN O=C(c1cccs1)N1CCC[C@@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032978431 556600934 /nfs/dbraw/zinc/60/09/34/556600934.db2.gz ZSRZMFXTQIJOJF-QGZVFWFLSA-N 0 0 425.579 4.369 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000016400320 556605197 /nfs/dbraw/zinc/60/51/97/556605197.db2.gz DZPDGLZIDQZGMK-UHFFFAOYSA-N 0 0 430.869 4.122 50 0 IIAARN CCCCOC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000032986878 556606702 /nfs/dbraw/zinc/60/67/02/556606702.db2.gz HFEPDKHYOQGYLD-KRWDZBQOSA-N 0 0 428.432 4.065 50 0 IIAARN O=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000016475315 556610381 /nfs/dbraw/zinc/61/03/81/556610381.db2.gz WOCCTXDLVVBOQB-UHFFFAOYSA-N 0 0 431.511 4.359 50 0 IIAARN O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCCc1ccc(Cl)cc1 ZINC000032995257 556610459 /nfs/dbraw/zinc/61/04/59/556610459.db2.gz SPWMLAVTBHTXLF-UHFFFAOYSA-N 0 0 428.945 4.125 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)CCCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032995432 556611209 /nfs/dbraw/zinc/61/12/09/556611209.db2.gz FQKZGKCVIMRKIH-INIZCTEOSA-N 0 0 440.544 4.390 50 0 IIAARN COc1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC ZINC000016499381 556613050 /nfs/dbraw/zinc/61/30/50/556613050.db2.gz ZXYKZJSRQIBCTA-OAHLLOKOSA-N 0 0 449.536 4.241 50 0 IIAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3Cl)n2)cc1NC(C)=O ZINC000016625885 556618652 /nfs/dbraw/zinc/61/86/52/556618652.db2.gz GJPLKLLVBQHEBV-UHFFFAOYSA-N 0 0 438.915 4.032 50 0 IIAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1O ZINC000033691685 556621720 /nfs/dbraw/zinc/62/17/20/556621720.db2.gz CHWVMNBKRMLIEE-NDENLUEZSA-N 0 0 434.473 4.229 50 0 IIAARN CCNC(=O)N1CCN(c2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)CC1 ZINC000032999141 556627336 /nfs/dbraw/zinc/62/73/36/556627336.db2.gz DLJBQVOEHQGYBS-UHFFFAOYSA-N 0 0 445.445 4.274 50 0 IIAARN COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1OC ZINC000016695022 556628616 /nfs/dbraw/zinc/62/86/16/556628616.db2.gz LSXQUHPKOLISNA-NRFANRHFSA-N 0 0 445.519 4.231 50 0 IIAARN COc1cccc(-c2cn3c(C(=O)N4CCCC[C@@H]4CCn4ccnc4)csc3n2)c1 ZINC000039537853 556629441 /nfs/dbraw/zinc/62/94/41/556629441.db2.gz LDCLAMYKJNGFCZ-GOSISDBHSA-N 0 0 435.553 4.353 50 0 IIAARN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000016699831 556629488 /nfs/dbraw/zinc/62/94/88/556629488.db2.gz LBUDBEIZPHXWQG-GZTJUZNOSA-N 0 0 432.332 4.461 50 0 IIAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(OCc2cscn2)c1 ZINC000016707053 556630017 /nfs/dbraw/zinc/63/00/17/556630017.db2.gz PAQSWTJZZUAZSM-UHFFFAOYSA-N 0 0 429.929 4.464 50 0 IIAARN C[C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000061414169 556631111 /nfs/dbraw/zinc/63/11/11/556631111.db2.gz OKXSBZNANJWTHY-ZDUSSCGKSA-N 0 0 433.386 4.258 50 0 IIAARN Cc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2N2CCN(C)CC2)c1 ZINC000016739907 556634193 /nfs/dbraw/zinc/63/41/93/556634193.db2.gz BSKYNFDGFDEBIN-LNVKXUELSA-N 0 0 443.414 4.403 50 0 IIAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)o1)Nc1ccc(Br)cc1 ZINC000033793768 556636424 /nfs/dbraw/zinc/63/64/24/556636424.db2.gz GCGUQDIOYKOCBR-UHFFFAOYSA-N 0 0 430.287 4.106 50 0 IIAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000016750787 556637342 /nfs/dbraw/zinc/63/73/42/556637342.db2.gz PTOLVZMYRVLNPM-QFIPXVFZSA-N 0 0 431.419 4.392 50 0 IIAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O ZINC000016753517 556638469 /nfs/dbraw/zinc/63/84/69/556638469.db2.gz HSIUYULRNRSJQT-QFIPXVFZSA-N 0 0 428.444 4.038 50 0 IIAARN COc1ccc(CCn2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1 ZINC000040392382 556638495 /nfs/dbraw/zinc/63/84/95/556638495.db2.gz SDWVQIFCTWJVRX-UHFFFAOYSA-N 0 0 431.883 4.011 50 0 IIAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O)Nc1cc(F)ccc1F ZINC000040484423 556643737 /nfs/dbraw/zinc/64/37/37/556643737.db2.gz CBZFUGWVESUZNM-UHFFFAOYSA-N 0 0 448.404 4.372 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)cc1 ZINC000040485239 556644031 /nfs/dbraw/zinc/64/40/31/556644031.db2.gz DCESREZQMBJLII-UHFFFAOYSA-N 0 0 426.451 4.402 50 0 IIAARN COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2 ZINC000016806379 556644127 /nfs/dbraw/zinc/64/41/27/556644127.db2.gz UFKJKMOMWCFHDE-UHFFFAOYSA-N 0 0 436.788 4.447 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016806514 556644159 /nfs/dbraw/zinc/64/41/59/556644159.db2.gz JRPNNVYNFXLKOV-INIZCTEOSA-N 0 0 435.904 4.363 50 0 IIAARN Cc1ccc(-c2nc(COC(=O)CCNC(=O)CCC(=O)c3cccs3)cs2)cc1 ZINC000016880770 556647953 /nfs/dbraw/zinc/64/79/53/556647953.db2.gz NOVAFIFTZWAESQ-UHFFFAOYSA-N 0 0 442.562 4.393 50 0 IIAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccc(-c2ccccc2)cc1 ZINC000011726322 556648789 /nfs/dbraw/zinc/64/87/89/556648789.db2.gz BQDHOUNDCITTEI-UHFFFAOYSA-N 0 0 429.501 4.220 50 0 IIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC000016903630 556648828 /nfs/dbraw/zinc/64/88/28/556648828.db2.gz RQMJSPNIEJPIDC-PMACEKPBSA-N 0 0 435.568 4.207 50 0 IIAARN O=C1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1cccc(F)c1 ZINC000016903516 556648853 /nfs/dbraw/zinc/64/88/53/556648853.db2.gz WXFLRJDLLHRWBE-RXVVDRJESA-N 0 0 445.494 4.136 50 0 IIAARN CC1CCN(c2nnc(SCc3nc(-c4ccsc4)no3)n2C[C@H]2CCCO2)CC1 ZINC000011747945 556650387 /nfs/dbraw/zinc/65/03/87/556650387.db2.gz BBDZQOPCTWTKHB-MRXNPFEDSA-N 0 0 446.602 4.097 50 0 IIAARN COc1ccc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)c(OC)c1 ZINC000011757677 556651731 /nfs/dbraw/zinc/65/17/31/556651731.db2.gz HNUAZORMJYNVTE-UHFFFAOYSA-N 0 0 435.343 4.212 50 0 IIAARN COc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccccc1 ZINC000011758021 556651977 /nfs/dbraw/zinc/65/19/77/556651977.db2.gz SHAYLABBYAXMQP-QFIPXVFZSA-N 0 0 449.532 4.058 50 0 IIAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011758583 556653203 /nfs/dbraw/zinc/65/32/03/556653203.db2.gz CJUKWHIAPMCQLT-UHFFFAOYSA-N 0 0 444.442 4.269 50 0 IIAARN CC1(C)Cc2nc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)sc2C(=O)C1 ZINC000071823474 556653488 /nfs/dbraw/zinc/65/34/88/556653488.db2.gz RRCONKPULSPZHP-AWEZNQCLSA-N 0 0 426.542 4.181 50 0 IIAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3ccc(C)cc3C)n2)CC1 ZINC000017025960 556653520 /nfs/dbraw/zinc/65/35/20/556653520.db2.gz BXWLRBOMLGOVNF-UHFFFAOYSA-N 0 0 443.555 4.059 50 0 IIAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000011760793 556653893 /nfs/dbraw/zinc/65/38/93/556653893.db2.gz VXDNARCEQUXWNR-UHFFFAOYSA-N 0 0 440.525 4.196 50 0 IIAARN COc1cc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc(OC)c1 ZINC000017051536 556654394 /nfs/dbraw/zinc/65/43/94/556654394.db2.gz RJWKZDNAXZUAEG-UHFFFAOYSA-N 0 0 434.521 4.453 50 0 IIAARN Cc1ccc(NC(=O)CCn2c3cc(C)c(C)cc3nc(C)c2=O)c(Br)c1 ZINC000033005521 556654993 /nfs/dbraw/zinc/65/49/93/556654993.db2.gz IWCQZCIKZXDOKT-UHFFFAOYSA-N 0 0 428.330 4.421 50 0 IIAARN Cc1nc(-c2ccccc2NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)no1 ZINC000032925891 556655172 /nfs/dbraw/zinc/65/51/72/556655172.db2.gz SALJVARVQQKMHZ-UHFFFAOYSA-N 0 0 426.480 4.429 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2cccc(F)c2)n1 ZINC000011781412 556655234 /nfs/dbraw/zinc/65/52/34/556655234.db2.gz UCOURADJZXUESJ-UHFFFAOYSA-N 0 0 425.769 4.355 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3cccc(F)c3)c2=O)cc1 ZINC000033006866 556655575 /nfs/dbraw/zinc/65/55/75/556655575.db2.gz BXLKKTGNHDJCNY-UHFFFAOYSA-N 0 0 447.535 4.301 50 0 IIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(I)c2)N3)C1 ZINC000017086073 556657142 /nfs/dbraw/zinc/65/71/42/556657142.db2.gz POGOJDTWZSTBKT-AYVTZFPOSA-N 0 0 440.306 4.037 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000033011763 556659864 /nfs/dbraw/zinc/65/98/64/556659864.db2.gz PTHOENOXEOQJES-INIZCTEOSA-N 0 0 440.594 4.328 50 0 IIAARN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]2C1 ZINC000100744948 556660321 /nfs/dbraw/zinc/66/03/21/556660321.db2.gz HZWPCFJTPKUFSC-UXHICEINSA-N 0 0 437.879 4.225 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033012087 556660472 /nfs/dbraw/zinc/66/04/72/556660472.db2.gz PGWGDPJDUNJYPB-UHFFFAOYSA-N 0 0 442.906 4.281 50 0 IIAARN O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056841 556660813 /nfs/dbraw/zinc/66/08/13/556660813.db2.gz QHTNDVYCUBMJSZ-RUZDIDTESA-N 0 0 438.531 4.329 50 0 IIAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1ccccc1 ZINC000033013126 556662389 /nfs/dbraw/zinc/66/23/89/556662389.db2.gz BMPVZYQGNGIVEM-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN Cc1cccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000011855981 556662397 /nfs/dbraw/zinc/66/23/97/556662397.db2.gz NLPFZCXYIKJPNA-UHFFFAOYSA-N 0 0 445.548 4.053 50 0 IIAARN COc1cc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)ccc1OC(F)F ZINC000022983147 556662589 /nfs/dbraw/zinc/66/25/89/556662589.db2.gz UEPORHGYTPTPNW-UHFFFAOYSA-N 0 0 438.430 4.292 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccnc3)n2-c2ccccc2)cc1OC ZINC000033013634 556663167 /nfs/dbraw/zinc/66/31/67/556663167.db2.gz SHPFCWSMCUMLJQ-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000033014242 556664311 /nfs/dbraw/zinc/66/43/11/556664311.db2.gz LAFXDHSQKSULAL-SANMLTNESA-N 0 0 447.535 4.336 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)c3cccs3)cc(=O)n21 ZINC000033014302 556664381 /nfs/dbraw/zinc/66/43/81/556664381.db2.gz GQEJVNFPFMFOAR-UHFFFAOYSA-N 0 0 425.539 4.078 50 0 IIAARN CCCCOc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1C ZINC000011867123 556665029 /nfs/dbraw/zinc/66/50/29/556665029.db2.gz NHFAXISHLPUFFJ-BCHFMIIMSA-N 0 0 441.568 4.285 50 0 biogenic IIAARN CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000004599117 556665820 /nfs/dbraw/zinc/66/58/20/556665820.db2.gz KDTYRWCLPWOJPC-PVARCSIZSA-N 0 0 425.978 4.130 50 0 IIAARN COc1ccc(CCNC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1OC ZINC000011902154 556669781 /nfs/dbraw/zinc/66/97/81/556669781.db2.gz LAQFKLYSHKUFFB-UHFFFAOYSA-N 0 0 425.485 4.192 50 0 IIAARN O=C(CCCC(=O)c1cccs1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032930208 556671138 /nfs/dbraw/zinc/67/11/38/556671138.db2.gz CBXNAJHXLAYZHP-UHFFFAOYSA-N 0 0 425.476 4.300 50 0 IIAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(Cl)cc4s3)n2)cc1 ZINC000011913929 556672739 /nfs/dbraw/zinc/67/27/39/556672739.db2.gz GQJZQDXPZNVLON-UHFFFAOYSA-N 0 0 426.885 4.147 50 0 IIAARN COCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)on1)CCCC2 ZINC000011916691 556673247 /nfs/dbraw/zinc/67/32/47/556673247.db2.gz YMYREAJMFORRDF-UHFFFAOYSA-N 0 0 439.537 4.301 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)c(OC)c1 ZINC000011918914 556675063 /nfs/dbraw/zinc/67/50/63/556675063.db2.gz NAJOTRNXOXHHRY-KRWDZBQOSA-N 0 0 443.927 4.233 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)c(OC)c1 ZINC000011918913 556675128 /nfs/dbraw/zinc/67/51/28/556675128.db2.gz NAJOTRNXOXHHRY-QGZVFWFLSA-N 0 0 443.927 4.233 50 0 IIAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1nc2c(s1)CCCC2 ZINC000011986825 556678302 /nfs/dbraw/zinc/67/83/02/556678302.db2.gz MKNNMHAIPYQTQG-AWEZNQCLSA-N 0 0 427.473 4.482 50 0 IIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(NC(=O)CCn2ccnc2)c1 ZINC000032936060 556678534 /nfs/dbraw/zinc/67/85/34/556678534.db2.gz HRMPWVZDJHKHNK-UHFFFAOYSA-N 0 0 430.508 4.002 50 0 IIAARN COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000011990936 556678562 /nfs/dbraw/zinc/67/85/62/556678562.db2.gz OPBVDLPVPBSEPA-UHFFFAOYSA-N 0 0 439.682 4.211 50 0 IIAARN C[C@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000032936901 556678783 /nfs/dbraw/zinc/67/87/83/556678783.db2.gz JRZZETCYZMPJSX-GFCCVEGCSA-N 0 0 440.443 4.144 50 0 IIAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000000677339 556682219 /nfs/dbraw/zinc/68/22/19/556682219.db2.gz JDGKLJDGYNKWAP-FYJGNVAPSA-N 0 0 435.505 4.017 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000018087845 556683708 /nfs/dbraw/zinc/68/37/08/556683708.db2.gz GZRIXSLKERGLNO-BUVFEPMLSA-N 0 0 433.504 4.269 50 0 IIAARN O=C(OCc1ncc(-c2ccccc2)o1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097654842 556686206 /nfs/dbraw/zinc/68/62/06/556686206.db2.gz HELFZRBMHUIYRY-XSFVSMFZSA-N 0 0 439.431 4.330 50 0 IIAARN C#CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2c2ccc(OCC)cc2)cc1OC ZINC000002178021 556686406 /nfs/dbraw/zinc/68/64/06/556686406.db2.gz DOHLDAPYOPMGOR-HKWRFOASSA-N 0 0 436.533 4.100 50 0 IIAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000018223051 556687601 /nfs/dbraw/zinc/68/76/01/556687601.db2.gz YTHLBQAVKLDBSG-GOSISDBHSA-N 0 0 433.943 4.073 50 0 IIAARN Cc1ccc(-c2nc(S[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)n[nH]2)cc1 ZINC000018322459 556689447 /nfs/dbraw/zinc/68/94/47/556689447.db2.gz UVXNNWUGXUKGAB-OAHLLOKOSA-N 0 0 432.427 4.223 50 0 IIAARN COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000033023738 556693820 /nfs/dbraw/zinc/69/38/20/556693820.db2.gz LYMMTNWGGCEBRG-KRWDZBQOSA-N 0 0 440.521 4.044 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000000781875 556693891 /nfs/dbraw/zinc/69/38/91/556693891.db2.gz YTMGFGDNIFDFJG-UUOWRZLLSA-N 0 0 430.504 4.216 50 0 IIAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(OCC)c(OCC)c1)c1ccc(OCC)cc1 ZINC000004601335 556694084 /nfs/dbraw/zinc/69/40/84/556694084.db2.gz XDKZKTQCFXJBRC-HXUWFJFHSA-N 0 0 429.513 4.307 50 0 IIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)(C)N5O ZINC000118918976 556696419 /nfs/dbraw/zinc/69/64/19/556696419.db2.gz HSNHEWPTHWDUDJ-KDIYDNBUSA-N 0 0 434.597 4.084 50 0 biogenic IIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000072314368 556700250 /nfs/dbraw/zinc/70/02/50/556700250.db2.gz PMBGXHQTDHUEEU-NRFANRHFSA-N 0 0 449.946 4.066 50 0 IIAARN CCS(=O)(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000013610280 556702625 /nfs/dbraw/zinc/70/26/25/556702625.db2.gz UOMBSUICMSOYEK-UHFFFAOYSA-N 0 0 434.561 4.241 50 0 IIAARN Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000033027293 556707099 /nfs/dbraw/zinc/70/70/99/556707099.db2.gz FBKCXFFBNNRWPQ-UHFFFAOYSA-N 0 0 448.504 4.201 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccccn2)CO4)c(OC)c1 ZINC000013691406 556711674 /nfs/dbraw/zinc/71/16/74/556711674.db2.gz TXFYGXKFCXSKFH-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 ZINC000033036342 556719045 /nfs/dbraw/zinc/71/90/45/556719045.db2.gz OIFOEUQRFTYPRD-UHFFFAOYSA-N 0 0 433.331 4.055 50 0 IIAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000033037272 556722068 /nfs/dbraw/zinc/72/20/68/556722068.db2.gz YVSUMEUSSVITKG-UHFFFAOYSA-N 0 0 443.482 4.270 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)cc1 ZINC000072325023 556722748 /nfs/dbraw/zinc/72/27/48/556722748.db2.gz DWLUAXKUGSEILV-URXFXBBRSA-N 0 0 448.563 4.043 50 0 biogenic IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1CCc1cccs1 ZINC000005191529 556723349 /nfs/dbraw/zinc/72/33/49/556723349.db2.gz JLNTWMAQTJGJOP-NPMXOYFQSA-N 0 0 427.570 4.093 50 0 IIAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000072328318 556724983 /nfs/dbraw/zinc/72/49/83/556724983.db2.gz UMEKHKMHOMXGBJ-LJQANCHMSA-N 0 0 434.989 4.181 50 0 IIAARN O=C1CCN(Cc2ccccc2C(F)(F)F)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000055119134 556735339 /nfs/dbraw/zinc/73/53/39/556735339.db2.gz JYFNAKRMYOLKOR-UHFFFAOYSA-N 0 0 440.849 4.322 50 0 IIAARN CC(=O)Nc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000143588680 556739964 /nfs/dbraw/zinc/73/99/64/556739964.db2.gz DEFJWDXEEOVJRK-RBZQAINGSA-N 0 0 441.487 4.005 50 0 IIAARN CCCCn1c(CN2CCCC[C@@H]2c2cccnc2)cnc1S(=O)(=O)CC1CCC1 ZINC000055358043 556740482 /nfs/dbraw/zinc/74/04/82/556740482.db2.gz PERIUOJMWUKCTA-JOCHJYFZSA-N 0 0 430.618 4.379 50 0 IIAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)C2=O)cc1 ZINC000019353761 556745040 /nfs/dbraw/zinc/74/50/40/556745040.db2.gz RRJCHRRHABWOJM-UZTOHYMASA-N 0 0 447.579 4.233 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccc(Cl)cc4)CN3C2=O)cc1C ZINC000072333614 556749892 /nfs/dbraw/zinc/74/98/92/556749892.db2.gz BBWHCFKQYUEKSW-SFHVURJKSA-N 0 0 428.945 4.021 50 0 IIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000008399249 556749925 /nfs/dbraw/zinc/74/99/25/556749925.db2.gz VNDHBRBARIICNH-CNHKJKLMSA-N 0 0 444.896 4.361 50 0 biogenic,in-vitro IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000058014279 556753374 /nfs/dbraw/zinc/75/33/74/556753374.db2.gz VJVHBXLKOFUNFD-CVEARBPZSA-N 0 0 430.533 4.241 50 0 IIAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CNC(c1ccccc1)c1ccccc1 ZINC000058020263 556754510 /nfs/dbraw/zinc/75/45/10/556754510.db2.gz DWVIPVGAMPEJLF-UHFFFAOYSA-N 0 0 448.592 4.363 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(OC(F)F)c(OC)c2)c1C ZINC000058128686 556760019 /nfs/dbraw/zinc/76/00/19/556760019.db2.gz XYAYTSUKFDULTC-AWEZNQCLSA-N 0 0 438.471 4.121 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(Cl)c1 ZINC000058159718 556764085 /nfs/dbraw/zinc/76/40/85/556764085.db2.gz BHDWKUBHZDNWRI-HNNXBMFYSA-N 0 0 435.908 4.406 50 0 IIAARN S=c1oc(-c2sc3ccccc3c2Cl)nn1CN1CCN(c2ncccn2)CC1 ZINC000058160687 556764612 /nfs/dbraw/zinc/76/46/12/556764612.db2.gz JEFCBBUCNOGPRR-UHFFFAOYSA-N 0 0 444.973 4.310 50 0 IIAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ncc(C)s1)COC2=O ZINC000062001679 556764658 /nfs/dbraw/zinc/76/46/58/556764658.db2.gz CRMOCLFLAFPELQ-WUXMJOGZSA-N 0 0 430.526 4.355 50 0 biogenic IIAARN O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000062004165 556764817 /nfs/dbraw/zinc/76/48/17/556764817.db2.gz IXAZWMAJXSWBAI-UHFFFAOYSA-N 0 0 441.940 4.270 50 0 IIAARN Cn1ccnc1SCc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058228344 556774037 /nfs/dbraw/zinc/77/40/37/556774037.db2.gz SQZBOQHAYQTDTP-UHFFFAOYSA-N 0 0 434.565 4.203 50 0 IIAARN CC[C@@]1(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CCC(=O)NC1=O ZINC000058289872 556777720 /nfs/dbraw/zinc/77/77/20/556777720.db2.gz RVKZVAVDDLCAGK-FQEVSTJZSA-N 0 0 449.732 4.439 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000058369095 556783419 /nfs/dbraw/zinc/78/34/19/556783419.db2.gz VEXQYUOFHYAQOR-QFIPXVFZSA-N 0 0 428.554 4.276 50 0 IIAARN Cc1cc(NC(=O)[C@@H](Nc2cccc(I)c2)c2ccccc2)no1 ZINC000058377754 556784085 /nfs/dbraw/zinc/78/40/85/556784085.db2.gz WITVNSSNESACFF-KRWDZBQOSA-N 0 0 433.249 4.380 50 0 IIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000058406039 556785792 /nfs/dbraw/zinc/78/57/92/556785792.db2.gz LWKJXDKSJRQMST-GOSISDBHSA-N 0 0 441.329 4.447 50 0 IIAARN CCOC(=O)CN(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CC1 ZINC000058439897 556788703 /nfs/dbraw/zinc/78/87/03/556788703.db2.gz XPTIYZOHCIADJY-UHFFFAOYSA-N 0 0 426.542 4.217 50 0 IIAARN Cc1cc(=O)oc2cc(NC(=O)N[C@H](C)[C@@H](O)c3ccc(Br)cc3)ccc12 ZINC000058440612 556788962 /nfs/dbraw/zinc/78/89/62/556788962.db2.gz WBPIDCRXONNYSF-CWTRNNRKSA-N 0 0 431.286 4.108 50 0 IIAARN COc1cc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)ccc1N1CCCC1=O ZINC000059037974 556794301 /nfs/dbraw/zinc/79/43/01/556794301.db2.gz CJROYOIOFIYINL-UHFFFAOYSA-N 0 0 443.809 4.064 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000002648179 556802228 /nfs/dbraw/zinc/80/22/28/556802228.db2.gz ZPMWQKJXSXRZKF-JOCHJYFZSA-N 0 0 442.581 4.067 50 0 IIAARN COC(=O)C[C@H](NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)c1ccc(F)cc1 ZINC000059959637 556805379 /nfs/dbraw/zinc/80/53/79/556805379.db2.gz IRFXAOXSMYVHPN-IBGZPJMESA-N 0 0 443.906 4.375 50 0 IIAARN Cc1ccc(NC(=O)CSCC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000060017737 556805854 /nfs/dbraw/zinc/80/58/54/556805854.db2.gz YCDPLZTYWQACFI-UHFFFAOYSA-N 0 0 432.958 4.477 50 0 IIAARN O=C(NC1CCCCCCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061719321 556811226 /nfs/dbraw/zinc/81/12/26/556811226.db2.gz LNPUUFWISURYRV-UHFFFAOYSA-N 0 0 432.572 4.237 50 0 IIAARN O=C(OCc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003349564 556813611 /nfs/dbraw/zinc/81/36/11/556813611.db2.gz YYSJLTBOYLORGJ-UHFFFAOYSA-N 0 0 439.411 4.134 50 0 IIAARN COc1ccc(-c2nc(CC(=O)NCCn3ccc4ccc(F)cc43)cs2)cc1OC ZINC000072402481 556815943 /nfs/dbraw/zinc/81/59/43/556815943.db2.gz CKVNLOPYXLYRFT-UHFFFAOYSA-N 0 0 439.512 4.280 50 0 IIAARN CCOc1ccccc1-c1nc(Cn2cnc3nc4c(cc3c2=O)C[C@@H](C)CC4)c(C)o1 ZINC000033059752 556816132 /nfs/dbraw/zinc/81/61/32/556816132.db2.gz ISKRJTDDSLEKIE-HNNXBMFYSA-N 0 0 430.508 4.327 50 0 IIAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)cc1Cl ZINC000033064006 556818723 /nfs/dbraw/zinc/81/87/23/556818723.db2.gz ZZHLVDPGCZSOKT-UHFFFAOYSA-N 0 0 432.929 4.379 50 0 IIAARN CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000033068316 556822144 /nfs/dbraw/zinc/82/21/44/556822144.db2.gz TVVQWQIFEGECOA-UHFFFAOYSA-N 0 0 443.503 4.162 50 0 IIAARN COc1ccc(Oc2cc3c(cc2NC(=O)Nc2cccc(OC)c2)n(C)c(=O)n3C)cc1 ZINC000064605611 556825427 /nfs/dbraw/zinc/82/54/27/556825427.db2.gz KUVNXZIRXPGHDC-UHFFFAOYSA-N 0 0 448.479 4.331 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C)cc4C)cc32)c1 ZINC000065002995 556831189 /nfs/dbraw/zinc/83/11/89/556831189.db2.gz NTYVKWRUUBTNCE-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000065003730 556831726 /nfs/dbraw/zinc/83/17/26/556831726.db2.gz OBNIBANLADJIEH-SFHVURJKSA-N 0 0 434.561 4.319 50 0 IIAARN COC(=O)c1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000019632018 556832951 /nfs/dbraw/zinc/83/29/51/556832951.db2.gz WUTVVFSBSCJFKS-GOSISDBHSA-N 0 0 440.546 4.414 50 0 IIAARN CC[C@@H](C(=O)n1nc(C)cc1C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000096557040 556833740 /nfs/dbraw/zinc/83/37/40/556833740.db2.gz JVUYHCWLWITAIL-YADHBBJMSA-N 0 0 425.554 4.195 50 0 IIAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nn2)n1 ZINC000065364157 556835387 /nfs/dbraw/zinc/83/53/87/556835387.db2.gz RXZRAVCUYAXTKB-UHFFFAOYSA-N 0 0 437.935 4.240 50 0 IIAARN O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000065365642 556836115 /nfs/dbraw/zinc/83/61/15/556836115.db2.gz JWZGRPOZJYFEAX-UHFFFAOYSA-N 0 0 425.496 4.123 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000019641607 556837486 /nfs/dbraw/zinc/83/74/86/556837486.db2.gz IDMKHXTYGZCDJI-UHFFFAOYSA-N 0 0 444.582 4.376 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3csc(CC)c3)n2CC)cc1 ZINC000019641618 556837499 /nfs/dbraw/zinc/83/74/99/556837499.db2.gz JOLGFTCPQVXGTD-UHFFFAOYSA-N 0 0 444.582 4.496 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(CN3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000096602369 556838025 /nfs/dbraw/zinc/83/80/25/556838025.db2.gz FNWUCYWXAAIUPA-UHFFFAOYSA-N 0 0 440.908 4.245 50 0 IIAARN Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000022997556 556838614 /nfs/dbraw/zinc/83/86/14/556838614.db2.gz WOHSNESSIMERBP-SOFGYWHQSA-N 0 0 427.595 4.435 50 0 IIAARN Cc1ccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc2c1C ZINC000022997939 556838792 /nfs/dbraw/zinc/83/87/92/556838792.db2.gz CWLYODBPFZBIIK-UHFFFAOYSA-N 0 0 439.581 4.047 50 0 IIAARN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000006631374 556839183 /nfs/dbraw/zinc/83/91/83/556839183.db2.gz RGMCFDRGMHGDLW-IBGZPJMESA-N 0 0 438.549 4.158 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)n1 ZINC000072405617 556840634 /nfs/dbraw/zinc/84/06/34/556840634.db2.gz NVJJBYFJTZTZPP-UHFFFAOYSA-N 0 0 449.532 4.421 50 0 IIAARN CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 ZINC000062639797 556841423 /nfs/dbraw/zinc/84/14/23/556841423.db2.gz NCWSXNLDHROMRY-UHFFFAOYSA-N 0 0 446.429 4.081 50 0 IIAARN O=C(Nc1ccc(F)cc1F)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000019678886 556841632 /nfs/dbraw/zinc/84/16/32/556841632.db2.gz XQYDFQCKWRSYEH-VWLOTQADSA-N 0 0 447.441 4.083 50 0 IIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O ZINC000008718151 556843032 /nfs/dbraw/zinc/84/30/32/556843032.db2.gz ZNTJJFFGWVRNNE-QFIPXVFZSA-N 0 0 437.293 4.252 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000011215843 556845366 /nfs/dbraw/zinc/84/53/66/556845366.db2.gz DSVZXAQGIMKRQH-UHFFFAOYSA-N 0 0 431.496 4.038 50 0 IIAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 ZINC000023009615 556848224 /nfs/dbraw/zinc/84/82/24/556848224.db2.gz KEJBYNNISUUSDS-UHFFFAOYSA-N 0 0 435.446 4.107 50 0 IIAARN Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)nc2c1 ZINC000033070708 556851122 /nfs/dbraw/zinc/85/11/22/556851122.db2.gz XVEDUWZEQNLYAC-HXUWFJFHSA-N 0 0 431.584 4.133 50 0 IIAARN Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc2c1 ZINC000033071945 556851921 /nfs/dbraw/zinc/85/19/21/556851921.db2.gz RHSDGHUPRYECKG-GOSISDBHSA-N 0 0 437.975 4.090 50 0 IIAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000033073627 556852743 /nfs/dbraw/zinc/85/27/43/556852743.db2.gz RBKPFLNJWVPIKY-UHFFFAOYSA-N 0 0 430.508 4.198 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000033078136 556853027 /nfs/dbraw/zinc/85/30/27/556853027.db2.gz ZSISCPOJKCPAJM-UHFFFAOYSA-N 0 0 433.512 4.398 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1 ZINC000033073952 556853049 /nfs/dbraw/zinc/85/30/49/556853049.db2.gz MKAKLWFUMSCJRW-UHFFFAOYSA-N 0 0 446.526 4.314 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 ZINC000033077547 556854836 /nfs/dbraw/zinc/85/48/36/556854836.db2.gz CNIXQUBORJRDIL-UHFFFAOYSA-N 0 0 434.565 4.030 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)s1 ZINC000033113069 556859668 /nfs/dbraw/zinc/85/96/68/556859668.db2.gz GEHRTIWXAHVTDE-CQSZACIVSA-N 0 0 431.537 4.151 50 0 IIAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC4CCCCC4)C3)s2)cc1 ZINC000033113166 556859689 /nfs/dbraw/zinc/85/96/89/556859689.db2.gz MLMJYHQAIYKUHP-HNNXBMFYSA-N 0 0 443.573 4.021 50 0 IIAARN O=C(Nc1ccccc1F)c1nnc(COc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC000033114305 556861234 /nfs/dbraw/zinc/86/12/34/556861234.db2.gz MLLOGLQZKIKFDM-UHFFFAOYSA-N 0 0 440.500 4.181 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(Cc4cccc(F)c4)n3)cc2)cc1 ZINC000033122870 556863575 /nfs/dbraw/zinc/86/35/75/556863575.db2.gz AQRLHILREWYJHI-UHFFFAOYSA-N 0 0 439.468 4.276 50 0 IIAARN COc1ccc(OC)c(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127833 556864771 /nfs/dbraw/zinc/86/47/71/556864771.db2.gz RYZLRVJNUKMVHL-HSZRJFAPSA-N 0 0 431.492 4.156 50 0 IIAARN COc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033128041 556865040 /nfs/dbraw/zinc/86/50/40/556865040.db2.gz BWABNXKFYIWBJH-UHFFFAOYSA-N 0 0 429.929 4.242 50 0 IIAARN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CCC1 ZINC000033128568 556865720 /nfs/dbraw/zinc/86/57/20/556865720.db2.gz OMMFXFDDIUBAGE-UHFFFAOYSA-N 0 0 426.582 4.314 50 0 IIAARN COc1ccccc1CNC(=O)c1cc2c(n(-c3ccc(C(C)C)cc3)c1=O)CCCC2=O ZINC000033126831 556867358 /nfs/dbraw/zinc/86/73/58/556867358.db2.gz LZFHQJAKNRWKQI-UHFFFAOYSA-N 0 0 444.531 4.419 50 0 IIAARN CN1CCN(CC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000019708399 556868887 /nfs/dbraw/zinc/86/88/87/556868887.db2.gz YMDSAGGVFVRPDF-VWLOTQADSA-N 0 0 426.004 4.409 50 0 IIAARN CSc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000033131303 556871578 /nfs/dbraw/zinc/87/15/78/556871578.db2.gz GJXSPPIRZMXITD-UHFFFAOYSA-N 0 0 439.002 4.167 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ocnc3C(=O)OC(C)C)CC2)c1C ZINC000033131143 556871719 /nfs/dbraw/zinc/87/17/19/556871719.db2.gz FGANAWKKEVBNLC-UHFFFAOYSA-N 0 0 447.535 4.486 50 0 IIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)Nc3c(C)cccc3C)cc2C1=O ZINC000011225821 556875720 /nfs/dbraw/zinc/87/57/20/556875720.db2.gz DOBUNOMTCFZKKZ-UHFFFAOYSA-N 0 0 442.471 4.208 50 0 IIAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(Cl)c1 ZINC000011228554 556876021 /nfs/dbraw/zinc/87/60/21/556876021.db2.gz MEQKMUSIKRCUQI-CQSZACIVSA-N 0 0 441.881 4.276 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000011227364 556876096 /nfs/dbraw/zinc/87/60/96/556876096.db2.gz MEPQSHRHGLATKA-UHFFFAOYSA-N 0 0 432.495 4.439 50 0 IIAARN CCOC(=O)c1ccc(-n2c(/C=C3/C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000033157265 556878456 /nfs/dbraw/zinc/87/84/56/556878456.db2.gz JVXCKJLNCAQSNA-HMMYKYKNSA-N 0 0 437.455 4.055 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(Cl)cc12 ZINC000015954275 556880483 /nfs/dbraw/zinc/88/04/83/556880483.db2.gz PFSKGLGIQLSKPU-OSPHWJPCSA-N 0 0 447.959 4.321 50 0 biogenic IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)c(F)c3)c2cc1OC ZINC000033172766 556883097 /nfs/dbraw/zinc/88/30/97/556883097.db2.gz JAJNTMHINMHFRP-UHFFFAOYSA-N 0 0 426.473 4.307 50 0 IIAARN O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1ccccc1C(F)(F)F ZINC000033174443 556884198 /nfs/dbraw/zinc/88/41/98/556884198.db2.gz DPLAQWLZRGNSRR-UHFFFAOYSA-N 0 0 430.411 4.178 50 0 IIAARN Cc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)cc1 ZINC000033174732 556884216 /nfs/dbraw/zinc/88/42/16/556884216.db2.gz VPNFHJMZRMPYRA-UHFFFAOYSA-N 0 0 426.442 4.433 50 0 IIAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000033170781 556886326 /nfs/dbraw/zinc/88/63/26/556886326.db2.gz QYIHMSSFHINRMT-UHFFFAOYSA-N 0 0 446.507 4.164 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249333 556888971 /nfs/dbraw/zinc/88/89/71/556888971.db2.gz XVHVNYUEZYFQDT-UHFFFAOYSA-N 0 0 444.940 4.356 50 0 IIAARN O=C(c1ccc(OC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1)N1CCCC1 ZINC000019744460 556890767 /nfs/dbraw/zinc/89/07/67/556890767.db2.gz YYHZQIRHESWJFP-UHFFFAOYSA-N 0 0 432.524 4.016 50 0 IIAARN COc1cccc(CNc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)c1 ZINC000033250534 556891558 /nfs/dbraw/zinc/89/15/58/556891558.db2.gz DVBLCAJMFXKKBV-KRWDZBQOSA-N 0 0 425.554 4.419 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1 ZINC000033252065 556892430 /nfs/dbraw/zinc/89/24/30/556892430.db2.gz DVYHSPFVRVQUAZ-UHFFFAOYSA-N 0 0 438.528 4.339 50 0 IIAARN COc1cccc(CC(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)c1 ZINC000033252188 556892682 /nfs/dbraw/zinc/89/26/82/556892682.db2.gz WSEZEPHAQZMCSG-UHFFFAOYSA-N 0 0 439.943 4.199 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000033252405 556892870 /nfs/dbraw/zinc/89/28/70/556892870.db2.gz CAPQLVIXOKHEIS-MRXNPFEDSA-N 0 0 439.899 4.472 50 0 IIAARN O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccn2)CC1 ZINC000033252402 556892968 /nfs/dbraw/zinc/89/29/68/556892968.db2.gz OXZIRDVDQLBQMV-UHFFFAOYSA-N 0 0 445.910 4.414 50 0 IIAARN CC(C)NC(=O)Nc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000033257168 556895585 /nfs/dbraw/zinc/89/55/85/556895585.db2.gz DDXVYAWDQJEBBE-HNNXBMFYSA-N 0 0 439.903 4.440 50 0 IIAARN Cc1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(Br)cc4)CC3)cc2)no1 ZINC000033258166 556895745 /nfs/dbraw/zinc/89/57/45/556895745.db2.gz OIPIOLVDHXNWJS-UHFFFAOYSA-N 0 0 442.317 4.162 50 0 IIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)nn2)nc1 ZINC000072139251 556899140 /nfs/dbraw/zinc/89/91/40/556899140.db2.gz LKWSFYFQTZRKQA-UHFFFAOYSA-N 0 0 439.523 4.431 50 0 IIAARN COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019789953 556914826 /nfs/dbraw/zinc/91/48/26/556914826.db2.gz AHBAPMULBTUFON-UHFFFAOYSA-N 0 0 430.548 4.161 50 0 IIAARN Cc1nn2c(nnc3c2ccn(-c2ccc(OC(F)(F)F)cc2)c3=O)c1-c1ccccc1 ZINC000019818900 556921709 /nfs/dbraw/zinc/92/17/09/556921709.db2.gz NXSKJSUMRAPSJO-UHFFFAOYSA-N 0 0 437.381 4.302 50 0 IIAARN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019858121 556931749 /nfs/dbraw/zinc/93/17/49/556931749.db2.gz PIAKKKXFIKOBNX-NRFANRHFSA-N 0 0 428.598 4.300 50 0 IIAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019860016 556932359 /nfs/dbraw/zinc/93/23/59/556932359.db2.gz NISAAXGJEQUGDW-KRWDZBQOSA-N 0 0 427.010 4.111 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000019860352 556932718 /nfs/dbraw/zinc/93/27/18/556932718.db2.gz ICJGTVRTMILVOA-IBGZPJMESA-N 0 0 434.989 4.446 50 0 IIAARN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861034 556933377 /nfs/dbraw/zinc/93/33/77/556933377.db2.gz WNEFQKCCUPENCW-MRXNPFEDSA-N 0 0 439.002 4.242 50 0 IIAARN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862433 556933958 /nfs/dbraw/zinc/93/39/58/556933958.db2.gz DHKUBQVXCKYAIX-FQEVSTJZSA-N 0 0 426.513 4.159 50 0 IIAARN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1 ZINC000019879894 556936851 /nfs/dbraw/zinc/93/68/51/556936851.db2.gz WIUZYCLKMQWEOH-RUZDIDTESA-N 0 0 444.575 4.096 50 0 IIAARN COc1ccc(CCN2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)cc1OC ZINC000019882538 556937625 /nfs/dbraw/zinc/93/76/25/556937625.db2.gz GYSWZZSICMINJW-UHFFFAOYSA-N 0 0 429.900 4.475 50 0 biogenic IIAARN O=C(COc1ccc(Br)cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889272 556938628 /nfs/dbraw/zinc/93/86/28/556938628.db2.gz PGCBOFAWAHKGHK-UHFFFAOYSA-N 0 0 439.353 4.326 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1C ZINC000019898782 556941186 /nfs/dbraw/zinc/94/11/86/556941186.db2.gz ZBSJNSBQOFDNOK-JOCHJYFZSA-N 0 0 443.503 4.390 50 0 IIAARN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccccn2)CC1 ZINC000019956432 556954925 /nfs/dbraw/zinc/95/49/25/556954925.db2.gz ACHCNQINESQLDO-UHFFFAOYSA-N 0 0 432.528 4.027 50 0 IIAARN O=S(=O)(NCCSCc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000020002647 556957734 /nfs/dbraw/zinc/95/77/34/556957734.db2.gz ZTUVVQHLWRZIFK-UHFFFAOYSA-N 0 0 428.345 4.001 50 0 IIAARN Cn1cc2nc(SCc3cccc(C(F)(F)F)c3)n(Cc3ccccc3)c(=O)c2n1 ZINC000033265277 556975257 /nfs/dbraw/zinc/97/52/57/556975257.db2.gz VRLXRBCDVIRNRT-UHFFFAOYSA-N 0 0 430.455 4.489 50 0 IIAARN CC(C)(C)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)on1 ZINC000020076142 556978631 /nfs/dbraw/zinc/97/86/31/556978631.db2.gz FNBGOHKPZWRFFY-UHFFFAOYSA-N 0 0 438.509 4.054 50 0 IIAARN CCN(C(=O)COC(=O)CSc1nc2ccccc2o1)c1nc2ccccc2s1 ZINC000020074763 556978710 /nfs/dbraw/zinc/97/87/10/556978710.db2.gz CCXDITQLLUUNJQ-UHFFFAOYSA-N 0 0 427.507 4.126 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1Cl ZINC000020095723 556979441 /nfs/dbraw/zinc/97/94/41/556979441.db2.gz TWUPMRPBIJZGPH-OAHLLOKOSA-N 0 0 441.915 4.397 50 0 IIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000020095871 556979780 /nfs/dbraw/zinc/97/97/80/556979780.db2.gz PXTHZMHISOOFNK-UHFFFAOYSA-N 0 0 440.503 4.277 50 0 IIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000011239347 556980069 /nfs/dbraw/zinc/98/00/69/556980069.db2.gz WCJXPGZJABGOTO-UHFFFAOYSA-N 0 0 425.916 4.093 50 0 IIAARN CCc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103545 556981010 /nfs/dbraw/zinc/98/10/10/556981010.db2.gz JBYWQLVFXZOEKN-QFIPXVFZSA-N 0 0 425.492 4.110 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OC(F)F)cc2)c(C)c1 ZINC000020133816 556988147 /nfs/dbraw/zinc/98/81/47/556988147.db2.gz RDADWABLVKVTAF-LJQANCHMSA-N 0 0 425.439 4.424 50 0 IIAARN COc1ccc(-c2nc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)cs2)cc1 ZINC000010676940 556988236 /nfs/dbraw/zinc/98/82/36/556988236.db2.gz OKIXEVLWOXYEKX-QFIPXVFZSA-N 0 0 438.530 4.491 50 0 IIAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Br)cc3)c12 ZINC000097134647 556991383 /nfs/dbraw/zinc/99/13/83/556991383.db2.gz XNMIBVKXUCJPIR-NSHDSACASA-N 0 0 444.285 4.355 50 0 IIAARN Cn1nc(Br)c2c1ncnc2NC1(c2ccc(Br)cc2)CCC1 ZINC000097165725 556994756 /nfs/dbraw/zinc/99/47/56/556994756.db2.gz DVKQXEUUTBVXTL-UHFFFAOYSA-N 0 0 437.139 4.380 50 0 IIAARN COC(=O)CN[C@@H](c1ccc(Cl)cc1)c1ccccc1NC(=O)c1cccc(OC)c1 ZINC000097165860 556994777 /nfs/dbraw/zinc/99/47/77/556994777.db2.gz MKLSIUSEBZMAOE-QHCPKHFHSA-N 0 0 438.911 4.453 50 0 IIAARN CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)cc1 ZINC000020192534 556996580 /nfs/dbraw/zinc/99/65/80/556996580.db2.gz NABQUAAPZVZXIK-UHFFFAOYSA-N 0 0 431.536 4.075 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000023119109 557006743 /nfs/dbraw/zinc/00/67/43/557006743.db2.gz BOKJXGLEZCDJLK-NRFANRHFSA-N 0 0 437.492 4.461 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1 ZINC000020353803 557009660 /nfs/dbraw/zinc/00/96/60/557009660.db2.gz SQAJLQHLCLYURW-IBGZPJMESA-N 0 0 441.846 4.438 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1 ZINC000020355981 557010297 /nfs/dbraw/zinc/01/02/97/557010297.db2.gz FSTZAMADNLJBSF-UHFFFAOYSA-N 0 0 443.532 4.339 50 0 IIAARN Cc1ccc(F)cc1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000045971239 557013911 /nfs/dbraw/zinc/01/39/11/557013911.db2.gz JWTOHTONGZHRTC-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1cc(F)ccc1F ZINC000045971237 557013950 /nfs/dbraw/zinc/01/39/50/557013950.db2.gz RRXKJWDMHSZNKA-UHFFFAOYSA-N 0 0 436.447 4.053 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(F)cc2Br)c1 ZINC000011266894 557015206 /nfs/dbraw/zinc/01/52/06/557015206.db2.gz HZIDQVMBXIPMSR-UHFFFAOYSA-N 0 0 445.354 4.239 50 0 IIAARN COc1cc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc(OC)c1 ZINC000045991939 557017602 /nfs/dbraw/zinc/01/76/02/557017602.db2.gz INRHZCQWECPJSW-INIZCTEOSA-N 0 0 446.507 4.367 50 0 IIAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)NCc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045992671 557018110 /nfs/dbraw/zinc/01/81/10/557018110.db2.gz SYWWGMUMXCNMEJ-NSHDSACASA-N 0 0 426.826 4.033 50 0 IIAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000046012238 557018543 /nfs/dbraw/zinc/01/85/43/557018543.db2.gz PUQODRJNDJHFBV-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3c(=O)oc4ccccc4c3NC3CCCC3)CC2=O)cc1 ZINC000046004867 557019415 /nfs/dbraw/zinc/01/94/15/557019415.db2.gz XRESZDQYDJSYNH-KRWDZBQOSA-N 0 0 445.519 4.448 50 0 IIAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1)n2C ZINC000046016913 557019860 /nfs/dbraw/zinc/01/98/60/557019860.db2.gz GCCZHYNNMFPTKE-GOSISDBHSA-N 0 0 435.549 4.336 50 0 IIAARN Cc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)c(=O)n1C(C)C ZINC000046020629 557021036 /nfs/dbraw/zinc/02/10/36/557021036.db2.gz RNPKHAOPYVDBCJ-HNNXBMFYSA-N 0 0 428.920 4.251 50 0 IIAARN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000032943880 557021667 /nfs/dbraw/zinc/02/16/67/557021667.db2.gz JDGGAWPRXRNHNN-NSHDSACASA-N 0 0 430.473 4.353 50 0 IIAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(F)c3)c2)c2c(c1=O)CCCC2 ZINC000046027592 557023558 /nfs/dbraw/zinc/02/35/58/557023558.db2.gz QSQOTEJPQRDSFQ-UHFFFAOYSA-N 0 0 441.528 4.057 50 0 IIAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1sc(-c2ccccc2)nc1C ZINC000010759048 557024622 /nfs/dbraw/zinc/02/46/22/557024622.db2.gz DVJUEYJTGULSEL-UHFFFAOYSA-N 0 0 436.537 4.178 50 0 IIAARN O=S(=O)(N[C@@H]1CCc2ccccc21)c1cc(Br)ccc1Br ZINC000010752482 557025000 /nfs/dbraw/zinc/02/50/00/557025000.db2.gz ZZNLENBRGIDQEF-CQSZACIVSA-N 0 0 431.149 4.177 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)c(OC)c1 ZINC000023143900 557025532 /nfs/dbraw/zinc/02/55/32/557025532.db2.gz TYYCHUGUKGJXLW-UHFFFAOYSA-N 0 0 448.454 4.494 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1Cl ZINC000046045427 557025829 /nfs/dbraw/zinc/02/58/29/557025829.db2.gz PCDJWWMLUPDEOU-MRXNPFEDSA-N 0 0 430.932 4.465 50 0 IIAARN COc1cc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c(C(N)=O)cc1OC ZINC000060205010 557028063 /nfs/dbraw/zinc/02/80/63/557028063.db2.gz UQSAFKXLUNYTJF-UHFFFAOYSA-N 0 0 425.510 4.104 50 0 IIAARN CSc1nc2nc(C)c(CCC(=O)N(Cc3ccccc3)c3ccccn3)c(C)n2n1 ZINC000010814274 557029780 /nfs/dbraw/zinc/02/97/80/557029780.db2.gz OPDKKHKLNBQING-UHFFFAOYSA-N 0 0 432.553 4.024 50 0 IIAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccccc1F ZINC000017177932 557030761 /nfs/dbraw/zinc/03/07/61/557030761.db2.gz TWHPNVPGPARNJG-UHFFFAOYSA-N 0 0 437.418 4.265 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OCC(N)=O ZINC000046076868 557032745 /nfs/dbraw/zinc/03/27/45/557032745.db2.gz LKSOOXRNJMMPHX-MRXNPFEDSA-N 0 0 440.496 4.291 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)s1 ZINC000046123185 557036885 /nfs/dbraw/zinc/03/68/85/557036885.db2.gz HIGFDTMTLIOHJR-CYBMUJFWSA-N 0 0 428.464 4.088 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1ccccc1 ZINC000017243931 557043736 /nfs/dbraw/zinc/04/37/36/557043736.db2.gz KKFUVEBAGRTTKI-JOCHJYFZSA-N 0 0 438.491 4.276 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4F)s3)cc2)C1 ZINC000017244831 557044076 /nfs/dbraw/zinc/04/40/76/557044076.db2.gz NJKDTBMLEDNNRY-OKILXGFUSA-N 0 0 447.557 4.354 50 0 IIAARN O=C(O[C@H](c1ccccc1)c1ccccn1)c1cn(-c2cccc(Br)c2)nn1 ZINC000048237977 557047990 /nfs/dbraw/zinc/04/79/90/557047990.db2.gz QRHSCZGSEMFZIF-HXUWFJFHSA-N 0 0 435.281 4.371 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000048229959 557048757 /nfs/dbraw/zinc/04/87/57/557048757.db2.gz MGUUJZZXGKMCAR-UHFFFAOYSA-N 0 0 426.952 4.327 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4F)nc3n2)cc1 ZINC000033271796 557050121 /nfs/dbraw/zinc/05/01/21/557050121.db2.gz QJPTXCOMGQFOLB-UHFFFAOYSA-N 0 0 431.349 4.210 50 0 IIAARN CN(Cc1cccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1)C(=O)OC(C)(C)C ZINC000048264109 557050567 /nfs/dbraw/zinc/05/05/67/557050567.db2.gz KVUHQUGRPWFJEL-UHFFFAOYSA-N 0 0 445.951 4.349 50 0 IIAARN O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1Cl ZINC000022932010 557050565 /nfs/dbraw/zinc/05/05/65/557050565.db2.gz DXIOYSZEOOKTGZ-UHFFFAOYSA-N 0 0 442.810 4.310 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc4ccccc34)CC2)cc1 ZINC000022933200 557050889 /nfs/dbraw/zinc/05/08/89/557050889.db2.gz AMZXWMPESHIFOV-KRWDZBQOSA-N 0 0 436.581 4.005 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(-c3ccccn3)no1)CC2 ZINC000048273507 557051066 /nfs/dbraw/zinc/05/10/66/557051066.db2.gz CYHZAOFPZGZBFY-JOCHJYFZSA-N 0 0 434.521 4.358 50 0 IIAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccccc4)CC3)s2)cc1 ZINC000033273014 557051163 /nfs/dbraw/zinc/05/11/63/557051163.db2.gz JFQFJCJDXTZMTE-UHFFFAOYSA-N 0 0 437.525 4.211 50 0 IIAARN Cc1c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)oc2c1C(=O)CCC2 ZINC000048274246 557051563 /nfs/dbraw/zinc/05/15/63/557051563.db2.gz HLCRIDMETYPTNI-UHFFFAOYSA-N 0 0 431.514 4.109 50 0 IIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000033273751 557052155 /nfs/dbraw/zinc/05/21/55/557052155.db2.gz WXVDBTDNUSCROP-LJQANCHMSA-N 0 0 432.572 4.179 50 0 IIAARN CCOc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000017314934 557052850 /nfs/dbraw/zinc/05/28/50/557052850.db2.gz OJENUQMRLMPDPC-UHFFFAOYSA-N 0 0 436.942 4.275 50 0 IIAARN COc1ccc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)cc1OC ZINC000033275247 557053800 /nfs/dbraw/zinc/05/38/00/557053800.db2.gz LCBZDKBHMFAGKZ-UHFFFAOYSA-N 0 0 433.468 4.117 50 0 IIAARN O=C(CSc1nncn1Cc1ccco1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000022988941 557056024 /nfs/dbraw/zinc/05/60/24/557056024.db2.gz YZXMWZHQDIQGNP-UHFFFAOYSA-N 0 0 433.465 4.052 50 0 IIAARN O=C(NCCNC(=O)c1ccccc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000048277092 557056625 /nfs/dbraw/zinc/05/66/25/557056625.db2.gz HDSHSCTZNKZMRZ-UHFFFAOYSA-N 0 0 444.922 4.353 50 0 IIAARN O=S(=O)(Nc1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1)c1ccc(F)cc1 ZINC000033276513 557056689 /nfs/dbraw/zinc/05/66/89/557056689.db2.gz OWWOWIAWCIQMBH-UHFFFAOYSA-N 0 0 427.432 4.406 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000032948739 557057837 /nfs/dbraw/zinc/05/78/37/557057837.db2.gz WSPGZFTUUPTKNU-HXUWFJFHSA-N 0 0 434.492 4.408 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCCO)cc2C(F)(F)F)c(C)c1C ZINC000048309912 557060165 /nfs/dbraw/zinc/06/01/65/557060165.db2.gz UFRISBSQEXJFOZ-UHFFFAOYSA-N 0 0 431.476 4.419 50 0 IIAARN CCN(Cc1ccccc1)C(=O)CNC(=O)CSc1ccc(Br)cc1C ZINC000048309721 557060228 /nfs/dbraw/zinc/06/02/28/557060228.db2.gz PPJPAOJZYPISNF-UHFFFAOYSA-N 0 0 435.387 4.015 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000023057412 557061066 /nfs/dbraw/zinc/06/10/66/557061066.db2.gz RPEVFZHGOAAZLK-UHFFFAOYSA-N 0 0 430.533 4.329 50 0 IIAARN O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)N[C@H](c1cccs1)C1CCCC1 ZINC000048301637 557063055 /nfs/dbraw/zinc/06/30/55/557063055.db2.gz ZILHRCBTDUNRFO-QFIPXVFZSA-N 0 0 427.570 4.202 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21 ZINC000033284421 557063554 /nfs/dbraw/zinc/06/35/54/557063554.db2.gz QLNRVABCPJBXLC-UHFFFAOYSA-N 0 0 449.511 4.468 50 0 IIAARN CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1c1ccc3c(c1)OCO3)C(=O)N2 ZINC000048302461 557063786 /nfs/dbraw/zinc/06/37/86/557063786.db2.gz OLIHPMUSXHCCLZ-VWLOTQADSA-N 0 0 427.460 4.416 50 0 IIAARN COc1cccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1 ZINC000032949115 557063836 /nfs/dbraw/zinc/06/38/36/557063836.db2.gz KRWVZCYAQHXCBC-UHFFFAOYSA-N 0 0 448.475 4.128 50 0 IIAARN C[C@H]1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)c3ccccc32)C1 ZINC000033287391 557064654 /nfs/dbraw/zinc/06/46/54/557064654.db2.gz YOTUNDDIWBXVFE-AWEZNQCLSA-N 0 0 428.895 4.064 50 0 IIAARN O=C(OCc1cn2cc(Br)ccc2n1)C(O)(c1ccccc1)c1ccccc1 ZINC000060652934 557066774 /nfs/dbraw/zinc/06/67/74/557066774.db2.gz UQKMHBUDZSNUOU-UHFFFAOYSA-N 0 0 437.293 4.076 50 0 IIAARN Clc1ccc(-c2cc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000048326449 557068661 /nfs/dbraw/zinc/06/86/61/557068661.db2.gz XDWOEZCPXKWZRE-APWZRJJASA-N 0 0 444.988 4.161 50 0 IIAARN C[C@@H]1CCc2nc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)sc2C1 ZINC000048339755 557070177 /nfs/dbraw/zinc/07/01/77/557070177.db2.gz XJSOQBVNHAHVRT-OAHLLOKOSA-N 0 0 426.563 4.494 50 0 IIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2)n1 ZINC000023176949 557070910 /nfs/dbraw/zinc/07/09/10/557070910.db2.gz LPTRVFCRZRZVNB-UHFFFAOYSA-N 0 0 434.521 4.147 50 0 IIAARN C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023184901 557071670 /nfs/dbraw/zinc/07/16/70/557071670.db2.gz NDNKTXSWTSSCFG-QGZVFWFLSA-N 0 0 437.517 4.082 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccccn3)C2)c1 ZINC000048361739 557073550 /nfs/dbraw/zinc/07/35/50/557073550.db2.gz BSIFLOIIQQTFDB-RDGATRHJSA-N 0 0 427.548 4.456 50 0 IIAARN O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCc2sccc2C1 ZINC000010885167 557073948 /nfs/dbraw/zinc/07/39/48/557073948.db2.gz GIIOGZZZBHHCCP-UHFFFAOYSA-N 0 0 432.954 4.401 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC000010885734 557074167 /nfs/dbraw/zinc/07/41/67/557074167.db2.gz QJPVANOQWHULKE-UHFFFAOYSA-N 0 0 426.563 4.162 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c1 ZINC000017364422 557074313 /nfs/dbraw/zinc/07/43/13/557074313.db2.gz RTAFECLOIGBCML-UHFFFAOYSA-N 0 0 443.507 4.300 50 0 IIAARN CSCC[C@H](NC(=O)C1CCN(C(=O)c2ccsc2)CC1)c1nc2ccccc2[nH]1 ZINC000048362096 557074304 /nfs/dbraw/zinc/07/43/04/557074304.db2.gz YDJBDLKKAIBIJU-IBGZPJMESA-N 0 0 442.610 4.087 50 0 IIAARN O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCC[C@@H]1C1CCCCC1 ZINC000048367309 557075627 /nfs/dbraw/zinc/07/56/27/557075627.db2.gz RUQZXEMAIMWQHH-OAQYLSRUSA-N 0 0 437.565 4.433 50 0 IIAARN O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCC[C@H]1C1CCCCC1 ZINC000048367311 557075728 /nfs/dbraw/zinc/07/57/28/557075728.db2.gz RUQZXEMAIMWQHH-NRFANRHFSA-N 0 0 437.565 4.433 50 0 IIAARN O=C(COc1ccccc1)Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1 ZINC000033299409 557077973 /nfs/dbraw/zinc/07/79/73/557077973.db2.gz KYTRITZSMONXJF-UHFFFAOYSA-N 0 0 446.532 4.316 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NC2CCC(C)CC2)cc1 ZINC000048991127 557080518 /nfs/dbraw/zinc/08/05/18/557080518.db2.gz FXWNWNPHUSNGBJ-UHFFFAOYSA-N 0 0 436.599 4.280 50 0 IIAARN COc1ccccc1-c1csc(-c2nnn(-c3cc(Cl)c(OC)cc3OC)c2N)n1 ZINC000049001837 557081120 /nfs/dbraw/zinc/08/11/20/557081120.db2.gz JCGPCBQQXZHARQ-UHFFFAOYSA-N 0 0 443.916 4.319 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(C)c(C)c4)no3)c2=O)c1 ZINC000048986951 557082581 /nfs/dbraw/zinc/08/25/81/557082581.db2.gz LYZOIDZUUWMTME-UHFFFAOYSA-N 0 0 444.516 4.237 50 0 IIAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O ZINC000048987137 557082613 /nfs/dbraw/zinc/08/26/13/557082613.db2.gz HEAVZIQKUMFVCX-UHFFFAOYSA-N 0 0 444.491 4.033 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1 ZINC000033302500 557084357 /nfs/dbraw/zinc/08/43/57/557084357.db2.gz KZHMRTRPMKLGBV-GOSISDBHSA-N 0 0 438.597 4.134 50 0 IIAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccc(C)c(F)c1 ZINC000049006456 557085031 /nfs/dbraw/zinc/08/50/31/557085031.db2.gz NNPHTXCODSZPKT-UHFFFAOYSA-N 0 0 435.455 4.239 50 0 IIAARN COc1ccc(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c(OC)c1 ZINC000049006709 557085415 /nfs/dbraw/zinc/08/54/15/557085415.db2.gz UFXZIJNQCKNZCI-UHFFFAOYSA-N 0 0 444.944 4.490 50 0 IIAARN CC(C)OCCCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000017408355 557086284 /nfs/dbraw/zinc/08/62/84/557086284.db2.gz XXXBWJIZIFZHQP-HNNXBMFYSA-N 0 0 445.610 4.205 50 0 IIAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)cs1 ZINC000033308413 557088909 /nfs/dbraw/zinc/08/89/09/557088909.db2.gz RNLULLXWFMFWDN-UHFFFAOYSA-N 0 0 437.587 4.138 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1 ZINC000011326726 557089170 /nfs/dbraw/zinc/08/91/70/557089170.db2.gz YOPHEEIPPPWSGH-UHFFFAOYSA-N 0 0 445.497 4.065 50 0 IIAARN Cc1nc(C)c(-c2ccc(OCCNC(=O)C3(c4cccs4)CCCC3)nn2)s1 ZINC000049030737 557089290 /nfs/dbraw/zinc/08/92/90/557089290.db2.gz FZBNFKJZPWDCDI-UHFFFAOYSA-N 0 0 428.583 4.285 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382253 557089596 /nfs/dbraw/zinc/08/95/96/557089596.db2.gz PARDREORWNDVNY-JXFKEZNVSA-N 0 0 438.915 4.094 50 0 IIAARN CC(C)c1cccc(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)c1 ZINC000033309017 557089820 /nfs/dbraw/zinc/08/98/20/557089820.db2.gz CZYUKEMZUOOBKT-UHFFFAOYSA-N 0 0 437.887 4.099 50 0 IIAARN O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023411295 557091345 /nfs/dbraw/zinc/09/13/45/557091345.db2.gz MBGNDHSOJCYFEF-HXUWFJFHSA-N 0 0 431.883 4.201 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC(COc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000033310331 557093968 /nfs/dbraw/zinc/09/39/68/557093968.db2.gz PJJLJFPXISCXGE-UHFFFAOYSA-N 0 0 438.543 4.312 50 0 IIAARN O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(Br)c2)cc1 ZINC000033310724 557094525 /nfs/dbraw/zinc/09/45/25/557094525.db2.gz VNEUQCTUJDIUOC-IBGZPJMESA-N 0 0 443.341 4.025 50 0 IIAARN Cc1nc(C2(NC(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)CCCCC2)no1 ZINC000023508647 557095684 /nfs/dbraw/zinc/09/56/84/557095684.db2.gz NTMINKZKMLNBFV-UHFFFAOYSA-N 0 0 430.512 4.225 50 0 IIAARN Cc1ccc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc1 ZINC000033312919 557097468 /nfs/dbraw/zinc/09/74/68/557097468.db2.gz GYPRZFPFCSGWME-OAQYLSRUSA-N 0 0 428.598 4.059 50 0 IIAARN O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033313067 557097970 /nfs/dbraw/zinc/09/79/70/557097970.db2.gz XIZJCJQLERAVOV-UHFFFAOYSA-N 0 0 447.970 4.360 50 0 IIAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(Br)cc3C)ncn2)n1 ZINC000049404203 557099567 /nfs/dbraw/zinc/09/95/67/557099567.db2.gz OGTOYXCGEBICAL-UHFFFAOYSA-N 0 0 432.347 4.081 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1CC(C)C ZINC000072191735 557099891 /nfs/dbraw/zinc/09/98/91/557099891.db2.gz CTNHHJQGIFCHEQ-UHFFFAOYSA-N 0 0 431.587 4.414 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(Cl)cc3)cccn12 ZINC000049405214 557100644 /nfs/dbraw/zinc/10/06/44/557100644.db2.gz OBVCWFMLEPQGCL-UHFFFAOYSA-N 0 0 426.929 4.395 50 0 IIAARN O=C(Cc1nnc(-c2cccc(Br)c2)o1)NCc1cccc(C(F)(F)F)c1 ZINC000049405777 557100992 /nfs/dbraw/zinc/10/09/92/557100992.db2.gz HUSWOMVFEFCWIZ-UHFFFAOYSA-N 0 0 440.219 4.377 50 0 IIAARN Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc3c2=O)nc1 ZINC000023609836 557101105 /nfs/dbraw/zinc/10/11/05/557101105.db2.gz UBKREEJBWFUYJX-UHFFFAOYSA-N 0 0 427.489 4.431 50 0 IIAARN CCN1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000085407311 557101245 /nfs/dbraw/zinc/10/12/45/557101245.db2.gz RHGHWWBLBFPWPK-UHFFFAOYSA-N 0 0 449.357 4.237 50 0 IIAARN COc1ccc(Cc2nc(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cs2)cc1OC ZINC000023624933 557101532 /nfs/dbraw/zinc/10/15/32/557101532.db2.gz TYFQYIKVJVKYPN-CQSZACIVSA-N 0 0 444.578 4.129 50 0 IIAARN COc1ccc(-c2nc(-c3nnn(-c4ccccc4)c3-c3ccncc3)no2)c(OC)c1 ZINC000049410264 557105555 /nfs/dbraw/zinc/10/55/55/557105555.db2.gz UAGKNIQCGWCNJD-UHFFFAOYSA-N 0 0 426.436 4.064 50 0 IIAARN CCOc1ccc(NC(=O)c2c(C)c(C)sc2-n2cccc2)cc1S(=O)(=O)N(C)C ZINC000023696133 557107192 /nfs/dbraw/zinc/10/71/92/557107192.db2.gz QKBYVLFTFPDJQT-UHFFFAOYSA-N 0 0 447.582 4.057 50 0 IIAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2NC(CC(=O)OC)=C1 ZINC000049421623 557108434 /nfs/dbraw/zinc/10/84/34/557108434.db2.gz ZTTAFRLGTGJXNW-UHFFFAOYSA-N 0 0 425.510 4.360 50 0 IIAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4OC)c3)no2)c1 ZINC000033327387 557109995 /nfs/dbraw/zinc/10/99/95/557109995.db2.gz RUMYISIMMPNMTA-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC(Oc3nc4c(cccc4F)s3)CC2)cc1 ZINC000049443063 557110201 /nfs/dbraw/zinc/11/02/01/557110201.db2.gz VFJPMYAJNIFPLQ-UHFFFAOYSA-N 0 0 429.517 4.240 50 0 IIAARN CCOC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000011353247 557110225 /nfs/dbraw/zinc/11/02/25/557110225.db2.gz LJLCYOVUNMOUKY-UHFFFAOYSA-N 0 0 428.539 4.173 50 0 IIAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000017721170 557111605 /nfs/dbraw/zinc/11/16/05/557111605.db2.gz FKFHBKOSPFAGAG-UHFFFAOYSA-N 0 0 445.614 4.271 50 0 IIAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000049546728 557111676 /nfs/dbraw/zinc/11/16/76/557111676.db2.gz PHFRZHPSFPPMQN-UHFFFAOYSA-N 0 0 441.506 4.388 50 0 IIAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000017735745 557112778 /nfs/dbraw/zinc/11/27/78/557112778.db2.gz ZHJMTJYYKZLZLZ-HXUWFJFHSA-N 0 0 427.888 4.156 50 0 IIAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OC(F)F ZINC000049549945 557112969 /nfs/dbraw/zinc/11/29/69/557112969.db2.gz YCECXCNDMPTUIF-CQSZACIVSA-N 0 0 432.448 4.257 50 0 IIAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c(F)c1 ZINC000049551459 557113526 /nfs/dbraw/zinc/11/35/26/557113526.db2.gz BYDHITDPDMQHOH-UHFFFAOYSA-N 0 0 445.450 4.489 50 0 IIAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011361859 557113548 /nfs/dbraw/zinc/11/35/48/557113548.db2.gz FOXDFEMXKLQVTC-HXUWFJFHSA-N 0 0 441.434 4.203 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(=O)n3cccc(C)c3n1)CC2 ZINC000023882520 557123195 /nfs/dbraw/zinc/12/31/95/557123195.db2.gz GWPSIDLSPHWBHU-XMMPIXPASA-N 0 0 447.560 4.229 50 0 IIAARN CCN(C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000023937310 557126982 /nfs/dbraw/zinc/12/69/82/557126982.db2.gz KFZYMGBFDSKJIV-HXUWFJFHSA-N 0 0 449.624 4.456 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000023936917 557126997 /nfs/dbraw/zinc/12/69/97/557126997.db2.gz AEVODWKMQFEXAJ-RUZDIDTESA-N 0 0 427.504 4.088 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)c1C ZINC000023951172 557127309 /nfs/dbraw/zinc/12/73/09/557127309.db2.gz PBZIYBQAGSPXSB-NRFANRHFSA-N 0 0 436.508 4.149 50 0 IIAARN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000017948104 557129886 /nfs/dbraw/zinc/12/98/86/557129886.db2.gz QKNKSANEIVVUMN-CQSZACIVSA-N 0 0 446.935 4.260 50 0 IIAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(Br)c2)c1C ZINC000024007450 557131583 /nfs/dbraw/zinc/13/15/83/557131583.db2.gz SYLAWTMLQYQNOH-IBGZPJMESA-N 0 0 445.357 4.326 50 0 IIAARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)c2c1C ZINC000024074008 557135431 /nfs/dbraw/zinc/13/54/31/557135431.db2.gz RWTGFFRKOOYQEF-LBPRGKRZSA-N 0 0 435.596 4.352 50 0 IIAARN Oc1ccccc1-c1nnc(SCC2(c3ccc(Br)cc3)OCCO2)o1 ZINC000000688060 557135649 /nfs/dbraw/zinc/13/56/49/557135649.db2.gz UXFQSUCKMPOLNZ-UHFFFAOYSA-N 0 0 435.299 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O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025534702 557213368 /nfs/dbraw/zinc/21/33/68/557213368.db2.gz ZEZZXZXKXDABOU-HSZRJFAPSA-N 0 0 444.572 4.297 50 0 IIAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccco2)o1 ZINC000011627076 557215046 /nfs/dbraw/zinc/21/50/46/557215046.db2.gz MDKXMZNOBNTFEW-CYBMUJFWSA-N 0 0 445.476 4.139 50 0 IIAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000025605189 557218337 /nfs/dbraw/zinc/21/83/37/557218337.db2.gz FHRYUIDJRVRLMI-OAQYLSRUSA-N 0 0 433.533 4.360 50 0 IIAARN CC(=O)Nc1cccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)c1 ZINC000010584324 557223420 /nfs/dbraw/zinc/22/34/20/557223420.db2.gz KUCLVJKDOHYWBU-UHFFFAOYSA-N 0 0 427.457 4.282 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C ZINC000010992658 557226186 /nfs/dbraw/zinc/22/61/86/557226186.db2.gz WHVDFNWPOJMISW-UHFFFAOYSA-N 0 0 445.475 4.105 50 0 IIAARN Cc1ccc(OCCCCNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000072301624 557226336 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IIAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)Nc1ccc2c(c1)CCC2 ZINC000098211485 557235172 /nfs/dbraw/zinc/23/51/72/557235172.db2.gz IRCCQMHPTDOZIR-UHFFFAOYSA-N 0 0 428.448 4.061 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000018081704 557235610 /nfs/dbraw/zinc/23/56/10/557235610.db2.gz GMHQPNFBVUASJD-UHFFFAOYSA-N 0 0 430.551 4.220 50 0 IIAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(F)c(Cl)c4)CC3)n[nH]2)cc1 ZINC000098212780 557235732 /nfs/dbraw/zinc/23/57/32/557235732.db2.gz PTCCVDJSKPHDOO-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)CCSCc3cn4ccccc4n3)CC2)cc1 ZINC000026132042 557236202 /nfs/dbraw/zinc/23/62/02/557236202.db2.gz YWQPUCOHXJSGNM-UHFFFAOYSA-N 0 0 437.565 4.088 50 0 IIAARN Cc1csc(SCc2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)n1 ZINC000018099672 557236931 /nfs/dbraw/zinc/23/69/31/557236931.db2.gz COMAHTMMNSGVAE-UHFFFAOYSA-N 0 0 436.562 4.253 50 0 IIAARN COc1ccc(Br)c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000018110959 557237622 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IIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 ZINC000026564549 557244841 /nfs/dbraw/zinc/24/48/41/557244841.db2.gz SVTDHLYYPFCDBQ-VGOFRKELSA-N 0 0 432.492 4.271 50 0 IIAARN O=C(Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100167001 557245742 /nfs/dbraw/zinc/24/57/42/557245742.db2.gz QFXKLDRFMOEQFW-OAQYLSRUSA-N 0 0 435.430 4.331 50 0 IIAARN Cc1c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cnn1-c1ccccc1F ZINC000026898373 557250428 /nfs/dbraw/zinc/25/04/28/557250428.db2.gz GTQVCQTZOVDQIH-UHFFFAOYSA-N 0 0 432.499 4.017 50 0 IIAARN COc1ccc([C@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)C(C)C)cc1OC ZINC000604419557 557251423 /nfs/dbraw/zinc/25/14/23/557251423.db2.gz CPNFWGGQEHZCDU-PGRDOPGGSA-N 0 0 437.544 4.033 50 0 IIAARN COc1ccc([C@H](NC(=O)N2CCC(c3nnc4ccccn43)CC2)C(C)C)cc1OC ZINC000604419530 557251452 /nfs/dbraw/zinc/25/14/52/557251452.db2.gz AYTOTKRXSVXVNZ-JOCHJYFZSA-N 0 0 437.544 4.033 50 0 IIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000027017537 557254347 /nfs/dbraw/zinc/25/43/47/557254347.db2.gz WMIMZMYPLPIYKC-HSZRJFAPSA-N 0 0 443.503 4.390 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000027020484 557254827 /nfs/dbraw/zinc/25/48/27/557254827.db2.gz RIJCAZQCDWSUTM-QHCPKHFHSA-N 0 0 443.503 4.308 50 0 IIAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1Br ZINC000101099616 557255178 /nfs/dbraw/zinc/25/51/78/557255178.db2.gz VWISBCSFWODKEL-FVMIAERFSA-N 0 0 437.334 4.208 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(-c3sc(C)nc3C)o2)c(C)n1C[C@H]1CCCO1 ZINC000027059305 557256106 /nfs/dbraw/zinc/25/61/06/557256106.db2.gz PWJXSRJHUDPETF-OAHLLOKOSA-N 0 0 432.571 4.382 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000027063427 557256279 /nfs/dbraw/zinc/25/62/79/557256279.db2.gz UUKQVGPKZWZHQN-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCCCO2 ZINC000027083954 557256521 /nfs/dbraw/zinc/25/65/21/557256521.db2.gz KJCDXYXBUYEPBI-UHFFFAOYSA-N 0 0 426.396 4.199 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 ZINC000027098678 557256840 /nfs/dbraw/zinc/25/68/40/557256840.db2.gz RCVOQKKCZMAFPR-UHFFFAOYSA-N 0 0 447.535 4.350 50 0 IIAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000100602924 557265591 /nfs/dbraw/zinc/26/55/91/557265591.db2.gz CLDHLEJEAVKJKI-ZLNRFVROSA-N 0 0 432.451 4.276 50 0 IIAARN Cc1c2ccc(Br)cc2oc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000027583354 557266900 /nfs/dbraw/zinc/26/69/00/557266900.db2.gz MPVDGXRDFUQNQD-UHFFFAOYSA-N 0 0 435.362 4.269 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000100722362 557271339 /nfs/dbraw/zinc/27/13/39/557271339.db2.gz CLDHLEJEAVKJKI-RJGXRXQPSA-N 0 0 432.451 4.276 50 0 IIAARN CCOc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)c1 ZINC000027745836 557272591 /nfs/dbraw/zinc/27/25/91/557272591.db2.gz CESQYDYXIBIWSL-KRWDZBQOSA-N 0 0 442.364 4.222 50 0 IIAARN COc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)n2)cc1OC ZINC000027794189 557274449 /nfs/dbraw/zinc/27/44/49/557274449.db2.gz ULQCRIPUHBOANT-UHFFFAOYSA-N 0 0 437.477 4.198 50 0 IIAARN Cn1nc(-c2ccccc2)c2c(c(O)c(-c3ccccc3)c(=O)n2Cc2ccccc2)c1=O ZINC000101385886 557281961 /nfs/dbraw/zinc/28/19/61/557281961.db2.gz PNWZSDWMTJDCEX-UHFFFAOYSA-N 0 0 435.483 4.183 50 0 IIAARN O=C(Oc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000031675870 557294111 /nfs/dbraw/zinc/29/41/11/557294111.db2.gz OGYOJXAROYJPBQ-UHFFFAOYSA-N 0 0 428.337 4.141 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)cc1C ZINC000101889593 557296403 /nfs/dbraw/zinc/29/64/03/557296403.db2.gz PGINAICVSKRJIB-POCHDABASA-N 0 0 431.488 4.045 50 0 IIAARN COc1ccccc1-n1c(C[C@@H]2c3ccccc3N(C(C)C)C2=O)nc2ccccc2c1=O ZINC000101801432 557298822 /nfs/dbraw/zinc/29/88/22/557298822.db2.gz GIXDKFAVSCMHHL-HXUWFJFHSA-N 0 0 439.515 4.476 50 0 IIAARN Brc1ccc(C2=Nc3nnnn3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000100101209 557299048 /nfs/dbraw/zinc/29/90/48/557299048.db2.gz SNVLYBVJSUCMSX-OAHLLOKOSA-N 0 0 433.107 4.254 50 0 IIAARN O=C(NCc1ccccc1Cl)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828469 557300217 /nfs/dbraw/zinc/30/02/17/557300217.db2.gz JKIYBHDGKZXRMJ-UHFFFAOYSA-N 0 0 428.879 4.402 50 0 IIAARN O=C(CN1c2ncccc2N=C(c2ccc(F)cc2)CC1=O)NCc1ccc(Cl)cc1 ZINC000101881215 557305076 /nfs/dbraw/zinc/30/50/76/557305076.db2.gz SRFFILDYZFHQPR-UHFFFAOYSA-N 0 0 436.874 4.048 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(F)c(C)c3)C(=O)C2)c1 ZINC000101881655 557305424 /nfs/dbraw/zinc/30/54/24/557305424.db2.gz KUPQSBASFXTFCX-UHFFFAOYSA-N 0 0 432.455 4.034 50 0 IIAARN Cc1cc2c(cc1C)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945583 557307879 /nfs/dbraw/zinc/30/78/79/557307879.db2.gz RDRPGMWHMZHSRB-LJQANCHMSA-N 0 0 448.542 4.011 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)[C@H]1C ZINC000102122182 557312871 /nfs/dbraw/zinc/31/28/71/557312871.db2.gz PFXXXLGHFMNKIX-FGSXEWAUSA-N 0 0 428.573 4.189 50 0 IIAARN O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000102129031 557313153 /nfs/dbraw/zinc/31/31/53/557313153.db2.gz WENNMXKQCLJCJF-HNNXBMFYSA-N 0 0 449.429 4.282 50 0 IIAARN Cc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1C ZINC000032623411 557313631 /nfs/dbraw/zinc/31/36/31/557313631.db2.gz XSPMYRYDLFXKMB-UHFFFAOYSA-N 0 0 434.876 4.079 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C[C@H]2CCCO2)cc1 ZINC000014189544 557315168 /nfs/dbraw/zinc/31/51/68/557315168.db2.gz ADMSZJIKWGJKRL-LJQANCHMSA-N 0 0 438.553 4.172 50 0 IIAARN CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2 ZINC000102290487 557315841 /nfs/dbraw/zinc/31/58/41/557315841.db2.gz UVGWGALWZXUPME-OBGWFSINSA-N 0 0 430.504 4.452 50 0 IIAARN CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)/C=C/c1cc(F)cc2c1OCOC2 ZINC000032837711 557316704 /nfs/dbraw/zinc/31/67/04/557316704.db2.gz LAOOICJNJCWOAX-ZZXKWVIFSA-N 0 0 439.892 4.012 50 0 IIAARN CCc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000102288642 557317478 /nfs/dbraw/zinc/31/74/78/557317478.db2.gz FVGQPNPUCKBQKG-BGYRXZFFSA-N 0 0 440.565 4.033 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c(C)c1 ZINC000102288923 557317793 /nfs/dbraw/zinc/31/77/93/557317793.db2.gz AOFKQUNWWSNRQL-BGYRXZFFSA-N 0 0 440.565 4.088 50 0 IIAARN COc1ccccc1Nc1nn(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)c(=S)s1 ZINC000032935442 557318816 /nfs/dbraw/zinc/31/88/16/557318816.db2.gz GPYDNZVFIZTVCT-HZPDHXFCSA-N 0 0 436.603 4.044 50 0 IIAARN Cc1cc(C)cc(OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032957673 557319162 /nfs/dbraw/zinc/31/91/62/557319162.db2.gz KJLVVKZJBBVONY-UHFFFAOYSA-N 0 0 428.838 4.452 50 0 IIAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000032983451 557320015 /nfs/dbraw/zinc/32/00/15/557320015.db2.gz IHASSGIYZGKQNJ-UHFFFAOYSA-N 0 0 426.325 4.323 50 0 IIAARN COC(=O)c1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000033252138 557327729 /nfs/dbraw/zinc/32/77/29/557327729.db2.gz CDJUMYUYADSLCK-UHFFFAOYSA-N 0 0 442.519 4.430 50 0 IIAARN O=C(COc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000221921585 557328362 /nfs/dbraw/zinc/32/83/62/557328362.db2.gz ZWCWLENOKPTIEH-ZCNNSNEGSA-N 0 0 448.441 4.020 50 0 IIAARN CC(=O)NCc1ccc(C(=O)COc2ccc(Br)cc2Br)s1 ZINC000024659599 557329272 /nfs/dbraw/zinc/32/92/72/557329272.db2.gz LTJQLDPAKXURMK-UHFFFAOYSA-N 0 0 447.148 4.171 50 0 IIAARN Cc1ccc(CNC(=O)Nc2ccc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)nc2)cc1 ZINC000033303013 557331260 /nfs/dbraw/zinc/33/12/60/557331260.db2.gz YKPFWYUEGQDAHJ-OAQYLSRUSA-N 0 0 449.599 4.377 50 0 IIAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1)N1CCCC1 ZINC000033311523 557332592 /nfs/dbraw/zinc/33/25/92/557332592.db2.gz WVUQSJZZPBMTGC-QGZVFWFLSA-N 0 0 428.479 4.132 50 0 IIAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cc(Br)c(Br)s1 ZINC000013527284 557335543 /nfs/dbraw/zinc/33/55/43/557335543.db2.gz YDPZRFFMXIMYCK-UHFFFAOYSA-N 0 0 447.148 4.017 50 0 IIAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000102529733 557340937 /nfs/dbraw/zinc/34/09/37/557340937.db2.gz BQACBQIASILSAT-UHFFFAOYSA-N 0 0 447.466 4.339 50 0 IIAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)Nc1ccc2c(c1)OCO2 ZINC000102529835 557340954 /nfs/dbraw/zinc/34/09/54/557340954.db2.gz OLGQCHPQUHTSAI-UHFFFAOYSA-N 0 0 431.423 4.051 50 0 IIAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102530251 557341812 /nfs/dbraw/zinc/34/18/12/557341812.db2.gz CROCFQPEZDGICN-UHFFFAOYSA-N 0 0 429.476 4.200 50 0 IIAARN COc1ccc(-c2onc(C)c2C(=O)N2CCC(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023332384 557344462 /nfs/dbraw/zinc/34/44/62/557344462.db2.gz BFMKWPIFVQLSCF-UHFFFAOYSA-N 0 0 434.492 4.482 50 0 IIAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)c4c(C)cc(C)cc4C)CC3)n2)cc1 ZINC000023332719 557345984 /nfs/dbraw/zinc/34/59/84/557345984.db2.gz FDLFTDJOIKMLFO-UHFFFAOYSA-N 0 0 430.552 4.430 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2CC(C)C)cc1 ZINC000011675437 557349078 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447.966 4.156 50 0 IIAARN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000225504124 557731317 /nfs/dbraw/zinc/73/13/17/557731317.db2.gz LRBPTSAKHABTNQ-GOSISDBHSA-N 0 0 427.407 4.327 50 0 IIAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3Br)CC2)cc1C ZINC000225539816 557738911 /nfs/dbraw/zinc/73/89/11/557738911.db2.gz MLWDXEDMWCBOGL-UHFFFAOYSA-N 0 0 437.403 4.194 50 0 IIAARN O=C(/C=C/c1ccccc1F)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029256437 557745010 /nfs/dbraw/zinc/74/50/10/557745010.db2.gz IZWWCJZNTKEVED-JXMROGBWSA-N 0 0 425.504 4.446 50 0 IIAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@](C)(CC(=O)OC)c2ccncc2)c1 ZINC000225611693 557751515 /nfs/dbraw/zinc/75/15/15/557751515.db2.gz GWGZKDJIWKKSQH-OAQYLSRUSA-N 0 0 432.908 4.074 50 0 IIAARN CN(C(=O)N1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(Br)cc1Cl ZINC000225645008 557756472 /nfs/dbraw/zinc/75/64/72/557756472.db2.gz ROYRZFQTCRAMJR-LBPRGKRZSA-N 0 0 438.757 4.465 50 0 IIAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000225739982 557771176 /nfs/dbraw/zinc/77/11/76/557771176.db2.gz LHCNFPPFHPRTCM-UHFFFAOYSA-N 0 0 445.882 4.379 50 0 IIAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1Br ZINC000000845418 557828709 /nfs/dbraw/zinc/82/87/09/557828709.db2.gz ZXYJBPIIFLLMDU-QGZVFWFLSA-N 0 0 428.373 4.202 50 0 IIAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(Br)c2)cc1 ZINC000000845575 557828907 /nfs/dbraw/zinc/82/89/07/557828907.db2.gz JZVJGLCARZCYAU-GOSISDBHSA-N 0 0 446.370 4.279 50 0 IIAARN COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000000855092 557831244 /nfs/dbraw/zinc/83/12/44/557831244.db2.gz SADQQQZFPQRNDU-JOCHJYFZSA-N 0 0 445.562 4.302 50 0 IIAARN CC[C@]1(C(=O)c2ccc(F)cc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)OC ZINC000229876951 557833312 /nfs/dbraw/zinc/83/33/12/557833312.db2.gz BCBIYPMOHATPKE-MAODMQOUSA-N 0 0 447.256 4.043 50 0 IIAARN O=C(O[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000229908491 557833938 /nfs/dbraw/zinc/83/39/38/557833938.db2.gz 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ZINC000001235236 568762345 /nfs/dbraw/zinc/76/23/45/568762345.db2.gz FODXBATVKMUUFQ-JOCHJYFZSA-N 0 0 428.444 4.351 50 0 IIAARN Cc1nc2sc3c(c2c2nnc(S[C@@H](C)C(=O)NCc4ccccc4)n21)CCCC3 ZINC000001241317 568774568 /nfs/dbraw/zinc/77/45/68/568774568.db2.gz RLMINNRXMRNCMU-ZDUSSCGKSA-N 0 0 437.594 4.323 50 0 IIAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000001243691 568774743 /nfs/dbraw/zinc/77/47/43/568774743.db2.gz PIRYHMPJOQJAGD-UHFFFAOYSA-N 0 0 428.510 4.029 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001247576 568774884 /nfs/dbraw/zinc/77/48/84/568774884.db2.gz XAHBXIDKGHOCPJ-MRXNPFEDSA-N 0 0 440.594 4.363 50 0 IIAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)N(C)c4ccccc4)nc(N)c23)CO1 ZINC000001254918 568775162 /nfs/dbraw/zinc/77/51/62/568775162.db2.gz LRFIWZILDKKVOY-OAQYLSRUSA-N 0 0 428.583 4.270 50 0 IIAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000263615910 568776086 /nfs/dbraw/zinc/77/60/86/568776086.db2.gz FXDDMWCDMZEIJH-GOSISDBHSA-N 0 0 427.888 4.313 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4cccc(Cl)c4)c(=O)c32)C1 ZINC000001321065 568780015 /nfs/dbraw/zinc/78/00/15/568780015.db2.gz JFWKIONGGGFBDH-LBPRGKRZSA-N 0 0 430.961 4.296 50 0 IIAARN COc1c2c(c(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c3c1CN(C)CC3)OCO2 ZINC000032123799 568781673 /nfs/dbraw/zinc/78/16/73/568781673.db2.gz AMWJKUXFSAQZOU-PKNBQFBNSA-N 0 0 432.476 4.324 50 0 biogenic IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019171450 568782344 /nfs/dbraw/zinc/78/23/44/568782344.db2.gz RNYKEFUCTFADGF-KSZLIROESA-N 0 0 436.726 4.182 50 0 IIAARN CN(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000001388697 568784718 /nfs/dbraw/zinc/78/47/18/568784718.db2.gz MPAXJMHORDNUHV-UHFFFAOYSA-N 0 0 434.654 4.390 50 0 IIAARN O=C(c1ccc(-n2cccc2)c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCC1 ZINC000001401068 568786248 /nfs/dbraw/zinc/78/62/48/568786248.db2.gz NHRMYXBXJLKCBN-UHFFFAOYSA-N 0 0 428.941 4.341 50 0 IIAARN O=S(=O)(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(Cl)ccc1Cl ZINC000002775096 568789076 /nfs/dbraw/zinc/78/90/76/568789076.db2.gz WMWJJQWRLQPGCR-UHFFFAOYSA-N 0 0 442.290 4.455 50 0 IIAARN O=c1/c(=C/c2ccccc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000001412658 568789671 /nfs/dbraw/zinc/78/96/71/568789671.db2.gz FJBULQUYGRYXAI-RNHBDSLOSA-N 0 0 426.566 4.380 50 0 IIAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000084028755 568790189 /nfs/dbraw/zinc/79/01/89/568790189.db2.gz RSUTWINCJRYHPF-UHFFFAOYSA-N 0 0 426.196 4.004 50 0 IIAARN CCOC(=O)c1csc(-n2nc(-c3ccc(OC)c(OC)c3)cc2C(F)(F)F)n1 ZINC000001413625 568790232 /nfs/dbraw/zinc/79/02/32/568790232.db2.gz ORBRZVFQUZGEOW-UHFFFAOYSA-N 0 0 427.404 4.209 50 0 IIAARN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3Cl)c(OC)cc1Cl ZINC000001424313 568793578 /nfs/dbraw/zinc/79/35/78/568793578.db2.gz QXTWSMVXTWQRQD-UHFFFAOYSA-N 0 0 443.352 4.321 50 0 IIAARN CCOc1ccc(CSc2nnnn2-c2ccccc2)cc1-n1nc2ccccc2n1 ZINC000001429925 568794319 /nfs/dbraw/zinc/79/43/19/568794319.db2.gz VQPXBQLCFNTDLS-UHFFFAOYSA-N 0 0 429.509 4.087 50 0 IIAARN COc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc(OC)c1OC ZINC000001431706 568794776 /nfs/dbraw/zinc/79/47/76/568794776.db2.gz NBDVUIZVKMDISV-UHFFFAOYSA-N 0 0 435.402 4.478 50 0 IIAARN CC(C)c1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c2cnn(C(C)C)c2n1 ZINC000015513925 568796248 /nfs/dbraw/zinc/79/62/48/568796248.db2.gz MEGDMVAZNHMQDS-UHFFFAOYSA-N 0 0 430.512 4.352 50 0 IIAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1C[C@@H](O)COCc1ccco1 ZINC000084432793 568797995 /nfs/dbraw/zinc/79/79/95/568797995.db2.gz SPYUMBJVDGWLQO-SSDOTTSWSA-N 0 0 439.078 4.067 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015563894 568798439 /nfs/dbraw/zinc/79/84/39/568798439.db2.gz QWPVNGODFVKRNS-QGZVFWFLSA-N 0 0 426.513 4.378 50 0 IIAARN O=C(NCCc1coc(-c2ccccc2)n1)c1c(F)cccc1I ZINC000084564712 568798841 /nfs/dbraw/zinc/79/88/41/568798841.db2.gz ATACMTIYJUXGCM-UHFFFAOYSA-N 0 0 436.224 4.058 50 0 IIAARN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(Cl)cc1 ZINC000084752784 568800913 /nfs/dbraw/zinc/80/09/13/568800913.db2.gz DJIPQBBFTFUKPH-JOCHJYFZSA-N 0 0 428.960 4.241 50 0 IIAARN Cc1ccc(OCC(=O)OC2=CN(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000015669471 568801873 /nfs/dbraw/zinc/80/18/73/568801873.db2.gz KPGGFHTVKBCRKW-UHFFFAOYSA-N 0 0 435.501 4.120 50 0 IIAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000015669352 568802003 /nfs/dbraw/zinc/80/20/03/568802003.db2.gz SPEDWZJDJQVVPJ-UHFFFAOYSA-N 0 0 447.919 4.217 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000015670640 568802540 /nfs/dbraw/zinc/80/25/40/568802540.db2.gz RILFPFXOFUVJLN-KRWDZBQOSA-N 0 0 434.862 4.299 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccnc1 ZINC000015675430 568803691 /nfs/dbraw/zinc/80/36/91/568803691.db2.gz BJALXOSSTURWBG-VWLOTQADSA-N 0 0 434.540 4.273 50 0 IIAARN CCOCCCN1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676481 568804179 /nfs/dbraw/zinc/80/41/79/568804179.db2.gz WJYOPEOAGAPUKE-VWLOTQADSA-N 0 0 446.636 4.051 50 0 IIAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cn2ccccc2n1)CCCC3 ZINC000015680387 568806005 /nfs/dbraw/zinc/80/60/05/568806005.db2.gz UXTWCQGKLKVLGM-UHFFFAOYSA-N 0 0 436.537 4.413 50 0 IIAARN Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCc1ccccc1Br ZINC000015681697 568806730 /nfs/dbraw/zinc/80/67/30/568806730.db2.gz NGPOBOSOXQFRAE-UHFFFAOYSA-N 0 0 444.304 4.137 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000032496104 568811319 /nfs/dbraw/zinc/81/13/19/568811319.db2.gz IHYZMAAOMBTQQY-GASCZTMLSA-N 0 0 444.915 4.489 50 0 IIAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1 ZINC000015722476 568812139 /nfs/dbraw/zinc/81/21/39/568812139.db2.gz PTWMKQDCDXXDAW-UHFFFAOYSA-N 0 0 431.602 4.045 50 0 IIAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2S1 ZINC000015730517 568814059 /nfs/dbraw/zinc/81/40/59/568814059.db2.gz VJDOBLWQZQZWGQ-SNVBAGLBSA-N 0 0 432.445 4.209 50 0 IIAARN CCOC(=O)c1cnn(-c2nc(NCc3ccccc3)c(C(F)(F)F)cc2Cl)c1N ZINC000085388599 568816717 /nfs/dbraw/zinc/81/67/17/568816717.db2.gz VNLZCQFLOHFTBF-UHFFFAOYSA-N 0 0 439.825 4.311 50 0 IIAARN COc1cccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000015781026 568825548 /nfs/dbraw/zinc/82/55/48/568825548.db2.gz RKQYWTDULOMRKC-HXUWFJFHSA-N 0 0 433.526 4.149 50 0 IIAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000015783638 568827261 /nfs/dbraw/zinc/82/72/61/568827261.db2.gz PXIAWBCSNDSSRV-KDOFPFPSSA-N 0 0 440.594 4.191 50 0 IIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000097743286 568828097 /nfs/dbraw/zinc/82/80/97/568828097.db2.gz KHWAVBYANPTJJF-VSKRKVRLSA-N 0 0 434.879 4.400 50 0 IIAARN Cc1cc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12 ZINC000006110676 568828534 /nfs/dbraw/zinc/82/85/34/568828534.db2.gz YGZYJFFUGZCBJI-UHFFFAOYSA-N 0 0 441.578 4.059 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c(OC)c1 ZINC000085649143 568830728 /nfs/dbraw/zinc/83/07/28/568830728.db2.gz HTMNPXCKOFFKLB-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN CC(C)C(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccco4)ccc3[nH]2)cc1 ZINC000085653810 568832499 /nfs/dbraw/zinc/83/24/99/568832499.db2.gz GGESNQGJCJQVOU-UHFFFAOYSA-N 0 0 430.508 4.466 50 0 IIAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ccc2=O)cc1 ZINC000085654006 568832758 /nfs/dbraw/zinc/83/27/58/568832758.db2.gz SSYVLAIMYWJLPB-UHFFFAOYSA-N 0 0 444.579 4.191 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000085712560 568835510 /nfs/dbraw/zinc/83/55/10/568835510.db2.gz ZXKZVTDHFCBOOI-UHFFFAOYSA-N 0 0 436.549 4.471 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(=O)(=O)c2cccs2)c1C ZINC000085712758 568835757 /nfs/dbraw/zinc/83/57/57/568835757.db2.gz KCWHQNJXTYSSHB-UHFFFAOYSA-N 0 0 446.594 4.303 50 0 IIAARN Cc1ccc2c(=O)cc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)[nH]c2c1 ZINC000015787068 568836379 /nfs/dbraw/zinc/83/63/79/568836379.db2.gz LRXTZGTYWWMYQE-UHFFFAOYSA-N 0 0 426.498 4.372 50 0 IIAARN COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000001511807 568837761 /nfs/dbraw/zinc/83/77/61/568837761.db2.gz PDTXYBLSCGKIHG-UHFFFAOYSA-N 0 0 434.879 4.292 50 0 IIAARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OCC ZINC000002502875 568838412 /nfs/dbraw/zinc/83/84/12/568838412.db2.gz LEYSFZUZPUBSJF-NRFANRHFSA-N 0 0 446.569 4.476 50 0 IIAARN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085879099 568839014 /nfs/dbraw/zinc/83/90/14/568839014.db2.gz JPMATBJBOYQOIJ-KRWDZBQOSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN O[C@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982817 568839170 /nfs/dbraw/zinc/83/91/70/568839170.db2.gz OAEOAMSQRAPKEH-LOSJGSFVSA-N 0 0 448.538 4.399 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3F)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230137640 568839186 /nfs/dbraw/zinc/83/91/86/568839186.db2.gz WBEWZZXQVATYDD-NVQXNPDNSA-N 0 0 445.538 4.018 50 0 IIAARN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104917098 568839199 /nfs/dbraw/zinc/83/91/99/568839199.db2.gz ZUOBWAOGHHKPIR-IFMALSPDSA-N 0 0 429.486 4.099 50 0 IIAARN CCOc1ccccc1CNC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015821449 568839888 /nfs/dbraw/zinc/83/98/88/568839888.db2.gz SLJCQNZPDHFVDY-UHFFFAOYSA-N 0 0 440.931 4.322 50 0 IIAARN COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2ccc(C)cc2)cc1=O ZINC000015824804 568840632 /nfs/dbraw/zinc/84/06/32/568840632.db2.gz XWNAIZQPMQMNGF-UHFFFAOYSA-N 0 0 436.533 4.299 50 0 IIAARN CCOC(=O)c1cc(OCC(=O)Nc2ccc(OCC)cc2)c2cc(Cl)ccc2n1 ZINC000015829010 568841274 /nfs/dbraw/zinc/84/12/74/568841274.db2.gz QMFVYOFXPUPZTB-UHFFFAOYSA-N 0 0 428.872 4.481 50 0 IIAARN CC(=O)[C@H](C[C@@H](C(C)=O)C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl ZINC000002161700 568841922 /nfs/dbraw/zinc/84/19/22/568841922.db2.gz WGLGFAXMURDXDQ-GJZGRUSLSA-N 0 0 435.307 4.371 50 0 IIAARN Clc1ccc(OCCO[C@@H]2OCCO[C@H]2OCCOc2ccc(Cl)cc2)cc1 ZINC000006142283 568845384 /nfs/dbraw/zinc/84/53/84/568845384.db2.gz OABGTHHRELEQRH-WOJBJXKFSA-N 0 0 429.296 4.183 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000006144518 568846008 /nfs/dbraw/zinc/84/60/08/568846008.db2.gz CFKZHWDTKJVCDD-QFIPXVFZSA-N 0 0 430.533 4.092 50 0 IIAARN Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863279 568849112 /nfs/dbraw/zinc/84/91/12/568849112.db2.gz CUBZHHWYIJPPKF-UHFFFAOYSA-N 0 0 449.530 4.485 50 0 IIAARN Cc1cccc(N2CCN(c3c(C)c(C)nc4nc(Cc5cccc(F)c5)nn43)C[C@@H]2C)c1 ZINC000015865155 568849953 /nfs/dbraw/zinc/84/99/53/568849953.db2.gz AMKUYRDPQLOIFP-SFHVURJKSA-N 0 0 444.558 4.495 50 0 IIAARN CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015867977 568851465 /nfs/dbraw/zinc/85/14/65/568851465.db2.gz LNKSANNWDMTILR-HXUWFJFHSA-N 0 0 440.507 4.296 50 0 IIAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2s1)c1ccccc1 ZINC000015870153 568851616 /nfs/dbraw/zinc/85/16/16/568851616.db2.gz ALRKYEMBVFZNKY-UHFFFAOYSA-N 0 0 427.482 4.489 50 0 IIAARN COc1cccc(CCNC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000015880668 568854281 /nfs/dbraw/zinc/85/42/81/568854281.db2.gz UDFMDTYLTPVCGX-UHFFFAOYSA-N 0 0 444.944 4.351 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000015882664 568857217 /nfs/dbraw/zinc/85/72/17/568857217.db2.gz KHLVBONDPGKDHM-UHFFFAOYSA-N 0 0 433.490 4.061 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000015883356 568857606 /nfs/dbraw/zinc/85/76/06/568857606.db2.gz AKWOQMVCDVZMHT-UHFFFAOYSA-N 0 0 445.450 4.013 50 0 IIAARN COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883912 568858153 /nfs/dbraw/zinc/85/81/53/568858153.db2.gz UFBQQRMWPRVJHE-UHFFFAOYSA-N 0 0 440.952 4.392 50 0 IIAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1OCc1ccc(F)cc1 ZINC000012936989 568866065 /nfs/dbraw/zinc/86/60/65/568866065.db2.gz HWMAKPSGSCEGPY-UHFFFAOYSA-N 0 0 434.511 4.167 50 0 IIAARN CC1(C)OC(=O)C(=C2CCC(Nc3ccccc3)=C2CC(=O)Nc2ccccc2)C(=O)O1 ZINC000034799550 568867378 /nfs/dbraw/zinc/86/73/78/568867378.db2.gz FBKALWTXSSSTAR-UHFFFAOYSA-N 0 0 432.476 4.308 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012938502 568867695 /nfs/dbraw/zinc/86/76/95/568867695.db2.gz FJOKRUDITMROMA-QHCPKHFHSA-N 0 0 426.532 4.157 50 0 IIAARN CC(=O)c1ccc(OC[C@H](O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 ZINC000012940019 568868367 /nfs/dbraw/zinc/86/83/67/568868367.db2.gz XQOCMEYXHMWKPL-LJQANCHMSA-N 0 0 434.517 4.076 50 0 IIAARN CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 ZINC000016097375 568870307 /nfs/dbraw/zinc/87/03/07/568870307.db2.gz ZXELWDRJYQSHOE-UHFFFAOYSA-N 0 0 445.566 4.122 50 0 IIAARN O=C(c1cc(-c2ccco2)on1)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594063 568889121 /nfs/dbraw/zinc/88/91/21/568889121.db2.gz GWJMFLPBNCFLSG-UHFFFAOYSA-N 0 0 435.383 4.467 50 0 IIAARN O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000090607076 568889678 /nfs/dbraw/zinc/88/96/78/568889678.db2.gz NSDMWLYPTXENJG-QGZVFWFLSA-N 0 0 434.565 4.396 50 0 IIAARN CCOC(CN/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)OCC ZINC000102892588 568890106 /nfs/dbraw/zinc/89/01/06/568890106.db2.gz CXARNCWDEFRPCX-CPNJWEJPSA-N 0 0 448.441 4.222 50 0 IIAARN COc1ccc(SCC2CCN(C(=O)c3cc4cccc(OC)c4oc3=O)CC2)cc1 ZINC000090608279 568891058 /nfs/dbraw/zinc/89/10/58/568891058.db2.gz IVBOALCPIWZSIZ-UHFFFAOYSA-N 0 0 439.533 4.455 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1=O ZINC000012978407 568891849 /nfs/dbraw/zinc/89/18/49/568891849.db2.gz KEROGBPBBGNAHV-KOSHJBKYSA-N 0 0 444.959 4.369 50 0 IIAARN COc1ccc(-c2ccc(SCc3cc(=O)n4cc(Cl)ccc4n3)nn2)cc1OC ZINC000090610222 568891951 /nfs/dbraw/zinc/89/19/51/568891951.db2.gz QWZCJBSIEMATAE-UHFFFAOYSA-N 0 0 440.912 4.114 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)c2ccccc12 ZINC000012979955 568892040 /nfs/dbraw/zinc/89/20/40/568892040.db2.gz AQXRUZJAHRFRMC-GOSISDBHSA-N 0 0 445.519 4.298 50 0 IIAARN CCCOc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1C ZINC000090613702 568892422 /nfs/dbraw/zinc/89/24/22/568892422.db2.gz ILDIGYHPVQAEIS-HXUWFJFHSA-N 0 0 437.608 4.467 50 0 IIAARN COc1cc(/C=C/C(=O)Nc2cc(-n3ccc4ccccc43)ncn2)cc(OC)c1OC ZINC000090614299 568892475 /nfs/dbraw/zinc/89/24/75/568892475.db2.gz MPGBKQUSLJVVKU-CMDGGOBGSA-N 0 0 430.464 4.098 50 0 IIAARN CCCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)cc1 ZINC000012981570 568894646 /nfs/dbraw/zinc/89/46/46/568894646.db2.gz YMFCOYSURHLQDL-UHFFFAOYSA-N 0 0 441.578 4.337 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1OC ZINC000012987157 568895015 /nfs/dbraw/zinc/89/50/15/568895015.db2.gz UDRXIXHIBMKLQF-HXUWFJFHSA-N 0 0 435.524 4.425 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc2N1S(C)(=O)=O ZINC000012986084 568895597 /nfs/dbraw/zinc/89/55/97/568895597.db2.gz DADUQBSZGQOFQQ-LLVKDONJSA-N 0 0 449.504 4.051 50 0 IIAARN COc1cccc(C=C(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2)c1 ZINC000032907905 568895771 /nfs/dbraw/zinc/89/57/71/568895771.db2.gz RHJFXLHFLVVTGK-CJLVFECKSA-N 0 0 425.488 4.131 50 0 IIAARN CN(Cc1cccs1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000033000405 568895901 /nfs/dbraw/zinc/89/59/01/568895901.db2.gz YRQGIWUTDWLWFF-JLHYYAGUSA-N 0 0 438.574 4.171 50 0 IIAARN CCOC(=O)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000040052585 568896348 /nfs/dbraw/zinc/89/63/48/568896348.db2.gz DFIXGMFARYZTLT-WYIJSASQSA-N 0 0 439.462 4.201 50 0 IIAARN CCOc1cc(CN(CC(=O)N2CCC(c3ccccc3)=N2)C2CC2)ccc1OC(F)F ZINC000016419351 568896851 /nfs/dbraw/zinc/89/68/51/568896851.db2.gz VBQLLTNKSCMEIW-UHFFFAOYSA-N 0 0 443.494 4.288 50 0 IIAARN O=C(CCNC(=O)c1ccc(F)cc1F)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000013002991 568898453 /nfs/dbraw/zinc/89/84/53/568898453.db2.gz GGYQQOSFCJKYDO-JOCHJYFZSA-N 0 0 426.488 4.321 50 0 IIAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCC(Cc2ccccc2)CC1 ZINC000013005397 568899038 /nfs/dbraw/zinc/89/90/38/568899038.db2.gz SUTCBSSGNTXOAF-UHFFFAOYSA-N 0 0 435.593 4.208 50 0 IIAARN Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)ccc2o1 ZINC000013014324 568901809 /nfs/dbraw/zinc/90/18/09/568901809.db2.gz SQQSDSBLPJORQM-UHFFFAOYSA-N 0 0 441.553 4.101 50 0 IIAARN CCOc1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC ZINC000013020683 568902348 /nfs/dbraw/zinc/90/23/48/568902348.db2.gz ZKUJGQBHWZCQNY-UHFFFAOYSA-N 0 0 439.556 4.087 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1Cl ZINC000013023084 568902552 /nfs/dbraw/zinc/90/25/52/568902552.db2.gz KGIWMQUFOQJJHX-ZDUSSCGKSA-N 0 0 449.736 4.282 50 0 IIAARN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252460268 568902846 /nfs/dbraw/zinc/90/28/46/568902846.db2.gz CZKXHWCYFFXKGH-QAQDUYKDSA-N 0 0 445.548 4.360 50 0 IIAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000524729529 568904025 /nfs/dbraw/zinc/90/40/25/568904025.db2.gz XOTNHHRQTKJSRU-RPBOFIJWSA-N 0 0 425.532 4.403 50 0 biogenic IIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccco3)C2)cc1 ZINC000016474001 568908735 /nfs/dbraw/zinc/90/87/35/568908735.db2.gz QYVAFQVOHQUBEY-DEOSSOPVSA-N 0 0 446.526 4.227 50 0 IIAARN CC[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000390832748 568909432 /nfs/dbraw/zinc/90/94/32/568909432.db2.gz XCPWKOIUYDTTEE-YADHBBJMSA-N 0 0 434.467 4.257 50 0 IIAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239275137 568910962 /nfs/dbraw/zinc/91/09/62/568910962.db2.gz BFWHVTSVWUKBED-FKBYEOEOSA-N 0 0 434.879 4.400 50 0 IIAARN CC(C)C[C@H](C(=O)N[C@H](C)c1cccc(OC(C)C)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000242389596 568912739 /nfs/dbraw/zinc/91/27/39/568912739.db2.gz ZYQXEWFUBRJMPA-BRKWEVRTSA-N 0 0 426.557 4.017 50 0 IIAARN CC(=O)c1ccc(O[C@@H]2C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Br)c2)cc1 ZINC000242389498 568912753 /nfs/dbraw/zinc/91/27/53/568912753.db2.gz ZXRDEEIVCOQLJO-HKBOAZHASA-N 0 0 444.325 4.162 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000245226273 568912867 /nfs/dbraw/zinc/91/28/67/568912867.db2.gz NMDGAVCPYORKSW-WRALFONMSA-N 0 0 432.451 4.276 50 0 IIAARN O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000245240306 568913299 /nfs/dbraw/zinc/91/32/99/568913299.db2.gz QUFLEUJBTUSCEY-YSFYHYPLSA-N 0 0 432.545 4.275 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245255474 568913835 /nfs/dbraw/zinc/91/38/35/568913835.db2.gz IOTZCKSJUFVLPC-CMOCDZPBSA-N 0 0 434.923 4.208 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)cc2)[C@H]1C ZINC000245298299 568914252 /nfs/dbraw/zinc/91/42/52/568914252.db2.gz ZMBJDGPJNZNSSU-YBYFIDKVSA-N 0 0 427.932 4.478 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000245309465 568914349 /nfs/dbraw/zinc/91/43/49/568914349.db2.gz DIVYBXODGRYVEA-RXVVDRJESA-N 0 0 425.535 4.362 50 0 IIAARN Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312355 568914689 /nfs/dbraw/zinc/91/46/89/568914689.db2.gz URXXWCUIYWGBRM-YMSRPXOMSA-N 0 0 436.552 4.339 50 0 IIAARN CCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)c1ccc(OC)cc1 ZINC000035745586 568918185 /nfs/dbraw/zinc/91/81/85/568918185.db2.gz KIQFEHHBMLCIPR-UHFFFAOYSA-N 0 0 437.540 4.098 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1sc2ncccc2c1N ZINC000064370029 568920016 /nfs/dbraw/zinc/92/00/16/568920016.db2.gz QDHBIUOKOOFVTQ-UHFFFAOYSA-N 0 0 430.946 4.058 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000089319566 568920791 /nfs/dbraw/zinc/92/07/91/568920791.db2.gz JKSWTQOUYDRRKI-JTSKRJEESA-N 0 0 432.973 4.132 50 0 IIAARN CCCCCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 ZINC000001912590 568922504 /nfs/dbraw/zinc/92/25/04/568922504.db2.gz XYTOTVVGGMHGOL-LJQANCHMSA-N 0 0 448.548 4.117 50 0 IIAARN CCCc1cc2c(cc1OS(C)(=O)=O)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002094841 568925044 /nfs/dbraw/zinc/92/50/44/568925044.db2.gz FCFQTBQMNZEGLB-UHFFFAOYSA-N 0 0 444.505 4.221 50 0 biogenic IIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)Nc1ccccc1 ZINC000064438495 568928216 /nfs/dbraw/zinc/92/82/16/568928216.db2.gz PUCPYRCJIMWWRK-UHFFFAOYSA-N 0 0 427.504 4.021 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1 ZINC000064450172 568929000 /nfs/dbraw/zinc/92/90/00/568929000.db2.gz PCPHLZVECIWDSG-UHFFFAOYSA-N 0 0 437.931 4.153 50 0 IIAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)CC(C)(C)C ZINC000016653570 568929575 /nfs/dbraw/zinc/92/95/75/568929575.db2.gz PGSRBSKTISOPQT-UHFFFAOYSA-N 0 0 437.533 4.005 50 0 IIAARN Cn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000064565893 568932685 /nfs/dbraw/zinc/93/26/85/568932685.db2.gz KPHXPBPQWXSQBA-UHFFFAOYSA-N 0 0 430.430 4.144 50 0 IIAARN CCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1 ZINC000064566131 568932966 /nfs/dbraw/zinc/93/29/66/568932966.db2.gz RLYPMXZQIBGIID-UHFFFAOYSA-N 0 0 431.471 4.037 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000064566178 568933002 /nfs/dbraw/zinc/93/30/02/568933002.db2.gz ZGXYUMYJNCPSSC-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN CC[C@@H](C(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1)c1ccccc1 ZINC000064566206 568933040 /nfs/dbraw/zinc/93/30/40/568933040.db2.gz YITLHRMRLDUVOS-HXUWFJFHSA-N 0 0 441.535 4.139 50 0 IIAARN CCc1csc2nc(C)c(NC(=O)c3c(C)onc3-c3ccccc3Cl)c(=O)n12 ZINC000064566991 568933143 /nfs/dbraw/zinc/93/31/43/568933143.db2.gz SZZHSSCMZZKCCS-UHFFFAOYSA-N 0 0 428.901 4.496 50 0 IIAARN Cn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)Nc1ccccc1)C2 ZINC000064566553 568933504 /nfs/dbraw/zinc/93/35/04/568933504.db2.gz ZGDUKQSCTSEUQC-UHFFFAOYSA-N 0 0 434.887 4.381 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000064580461 568934471 /nfs/dbraw/zinc/93/44/71/568934471.db2.gz TUUQPPJIOWFHGX-UHFFFAOYSA-N 0 0 443.956 4.332 50 0 IIAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1C ZINC000064593528 568935961 /nfs/dbraw/zinc/93/59/61/568935961.db2.gz GURRUDLUSQBXKO-SFHVURJKSA-N 0 0 432.549 4.477 50 0 IIAARN Cc1ccc(C)c(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)c1 ZINC000064593779 568936057 /nfs/dbraw/zinc/93/60/57/568936057.db2.gz CRHNMIXOZZDKTH-UHFFFAOYSA-N 0 0 438.940 4.434 50 0 IIAARN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000006600931 568936457 /nfs/dbraw/zinc/93/64/57/568936457.db2.gz IGMZSIJOHVONSG-IBGZPJMESA-N 0 0 438.549 4.158 50 0 IIAARN CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690133 568938585 /nfs/dbraw/zinc/93/85/85/568938585.db2.gz SRKGKCBQIXHYPJ-BIENJYKASA-N 0 0 430.574 4.143 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000064605338 568939429 /nfs/dbraw/zinc/93/94/29/568939429.db2.gz LMCIBYFDHPRELC-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000064605358 568939684 /nfs/dbraw/zinc/93/96/84/568939684.db2.gz MFZUEUGVOFCPIF-MRXNPFEDSA-N 0 0 436.487 4.152 50 0 IIAARN Cc1cccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)Cc2ccc(F)cc2)c1 ZINC000036072516 568946399 /nfs/dbraw/zinc/94/63/99/568946399.db2.gz JGYYEBLYCRCEFM-QFIPXVFZSA-N 0 0 437.515 4.233 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083468 568947237 /nfs/dbraw/zinc/94/72/37/568947237.db2.gz GTISHRQQRKXTLP-IBGZPJMESA-N 0 0 436.842 4.211 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083467 568947243 /nfs/dbraw/zinc/94/72/43/568947243.db2.gz GTISHRQQRKXTLP-LJQANCHMSA-N 0 0 436.842 4.211 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083681 568947353 /nfs/dbraw/zinc/94/73/53/568947353.db2.gz SBYGJLUIIPPEJO-LJQANCHMSA-N 0 0 436.842 4.211 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083673 568947443 /nfs/dbraw/zinc/94/74/43/568947443.db2.gz JVGXVITWMONCIM-FQEVSTJZSA-N 0 0 432.879 4.462 50 0 IIAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CCc5ccccc5C4)c3)n2)cc1 ZINC000064747790 568950412 /nfs/dbraw/zinc/95/04/12/568950412.db2.gz HIIBZTHVHBKBKH-UHFFFAOYSA-N 0 0 431.517 4.459 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)N[C@@H](C)c4ccccc4)CC3=O)c2)cc1 ZINC000064754714 568950978 /nfs/dbraw/zinc/95/09/78/568950978.db2.gz SLQXCNADUMCQTC-UGKGYDQZSA-N 0 0 441.531 4.478 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)N[C@H](C)c4ccccc4)CC3=O)c2)cc1 ZINC000064754716 568951049 /nfs/dbraw/zinc/95/10/49/568951049.db2.gz SLQXCNADUMCQTC-DENIHFKCSA-N 0 0 441.531 4.478 50 0 IIAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)NCc1ccc(F)c(Cl)c1 ZINC000064759298 568951861 /nfs/dbraw/zinc/95/18/61/568951861.db2.gz IQRPZKMNCUZTKU-UHFFFAOYSA-N 0 0 441.869 4.446 50 0 IIAARN CCN1c2ccc(CNC(=O)COc3cccc(C)c3)cc2Sc2ncccc2C1=O ZINC000064759633 568952143 /nfs/dbraw/zinc/95/21/43/568952143.db2.gz MGRSEBXZHURGGT-UHFFFAOYSA-N 0 0 433.533 4.217 50 0 IIAARN COc1cccc(-c2nc3sc(C(=O)N4CCOCC4)c(C)n3c2NC(C)(C)C)c1 ZINC000064761245 568952182 /nfs/dbraw/zinc/95/21/82/568952182.db2.gz PDKXEFOBCCWSMI-UHFFFAOYSA-N 0 0 428.558 4.063 50 0 IIAARN CCCN(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006696212 568952625 /nfs/dbraw/zinc/95/26/25/568952625.db2.gz AFOQMJYXJWMMPE-QFIPXVFZSA-N 0 0 425.573 4.270 50 0 IIAARN COCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106210 568953799 /nfs/dbraw/zinc/95/37/99/568953799.db2.gz NOIOBYBQFSGIGQ-UHFFFAOYSA-N 0 0 442.537 4.028 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000064775690 568954731 /nfs/dbraw/zinc/95/47/31/568954731.db2.gz COXWFVLSEJWXOP-OAQYLSRUSA-N 0 0 449.532 4.440 50 0 IIAARN C[C@@H](NC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)C12CC3CC(CC(C3)C1)C2 ZINC000064776028 568955114 /nfs/dbraw/zinc/95/51/14/568955114.db2.gz ROQWZIMKMHXOIJ-ZOBUNQBSSA-N 0 0 432.568 4.170 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)C)cc1 ZINC000036119863 568957176 /nfs/dbraw/zinc/95/71/76/568957176.db2.gz WECLOQLRHKZWOV-OAQYLSRUSA-N 0 0 428.598 4.454 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)[C@H](C)CC ZINC000036120411 568957497 /nfs/dbraw/zinc/95/74/97/568957497.db2.gz YEMMKCRWRQJHAR-VQIMIIECSA-N 0 0 432.561 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)[C@@H](C)CC ZINC000036121436 568957686 /nfs/dbraw/zinc/95/76/86/568957686.db2.gz PULHDVJFTYQTRA-OXJNMPFZSA-N 0 0 432.561 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036121725 568958028 /nfs/dbraw/zinc/95/80/28/568958028.db2.gz VNPRHMSAOJEUCK-FQEVSTJZSA-N 0 0 430.545 4.041 50 0 IIAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C1CC1 ZINC000036121446 568958321 /nfs/dbraw/zinc/95/83/21/568958321.db2.gz JJVBNOLBCVXWGV-KKSFZXQISA-N 0 0 444.572 4.429 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@H](C)CC ZINC000036122710 568958352 /nfs/dbraw/zinc/95/83/52/568958352.db2.gz SMIXXTIXGZPBRZ-WIYYLYMNSA-N 0 0 443.613 4.331 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036122726 568958400 /nfs/dbraw/zinc/95/84/00/568958400.db2.gz YTSHHUXEUGRBRD-NRFANRHFSA-N 0 0 441.597 4.083 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)[C@H](C)CC ZINC000036123550 568958641 /nfs/dbraw/zinc/95/86/41/568958641.db2.gz XFVOOINTWKACSU-UZLBHIALSA-N 0 0 447.576 4.222 50 0 IIAARN CCCNC(=O)N(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036123958 568958657 /nfs/dbraw/zinc/95/86/57/568958657.db2.gz TUWOICOBOSFEEV-IBGZPJMESA-N 0 0 429.586 4.003 50 0 IIAARN CCc1ccc(NC(=O)CCc2c(C)n(CC)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000064792218 568959240 /nfs/dbraw/zinc/95/92/40/568959240.db2.gz SSEVPCDEHHUSNQ-UHFFFAOYSA-N 0 0 429.524 4.020 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2ccccc2)cc1 ZINC000064793299 568959611 /nfs/dbraw/zinc/95/96/11/568959611.db2.gz OYLWELKMPURMRT-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NC1CCCCC1 ZINC000064793679 568959707 /nfs/dbraw/zinc/95/97/07/568959707.db2.gz VKFSDJOEIIRNLE-JOCHJYFZSA-N 0 0 448.958 4.226 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2CC)cc1 ZINC000064794142 568959930 /nfs/dbraw/zinc/95/99/30/568959930.db2.gz OEYQKISDUFRCHC-UHFFFAOYSA-N 0 0 438.582 4.450 50 0 IIAARN COCCn1c(SCc2cc(F)ccc2F)nnc1-c1sc2ncccc2c1N ZINC000064794313 568959967 /nfs/dbraw/zinc/95/99/67/568959967.db2.gz MQZUFRDRFBXXTA-UHFFFAOYSA-N 0 0 433.509 4.354 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1OC ZINC000064799359 568960708 /nfs/dbraw/zinc/96/07/08/568960708.db2.gz LPZOSALHUZUPKI-INIZCTEOSA-N 0 0 443.546 4.381 50 0 IIAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(N2CCCCC2)n1 ZINC000064801880 568961458 /nfs/dbraw/zinc/96/14/58/568961458.db2.gz DPBOMPCXVLPMSQ-UHFFFAOYSA-N 0 0 441.532 4.459 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C ZINC000064815961 568963879 /nfs/dbraw/zinc/96/38/79/568963879.db2.gz LVJYHGRYWVDODG-DEOSSOPVSA-N 0 0 436.581 4.249 50 0 IIAARN O=C(NCc1cccs1)c1ccc2c(c1)nc(N1CCCCC1)n(-c1ccccc1)c2=O ZINC000064819468 568966213 /nfs/dbraw/zinc/96/62/13/568966213.db2.gz ZJYQGZKIRUYUJX-UHFFFAOYSA-N 0 0 444.560 4.368 50 0 IIAARN COc1ccc(CNC(=O)c2c(C)onc2-c2ccc(Br)s2)c(OC)c1 ZINC000064820240 568967081 /nfs/dbraw/zinc/96/70/81/568967081.db2.gz LTIYUMNQFQQULA-UHFFFAOYSA-N 0 0 437.315 4.421 50 0 IIAARN O=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 ZINC000036166718 568967413 /nfs/dbraw/zinc/96/74/13/568967413.db2.gz WCYXPSPGUKXYOB-JOCHJYFZSA-N 0 0 426.444 4.147 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1c(F)cccc1F ZINC000036167453 568967611 /nfs/dbraw/zinc/96/76/11/568967611.db2.gz NCPZGKIHPZVBBM-HSZRJFAPSA-N 0 0 446.519 4.295 50 0 IIAARN COc1cccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)C3CCCC3)C2=O)c1 ZINC000036165131 568968172 /nfs/dbraw/zinc/96/81/72/568968172.db2.gz YYLNSIQAYCBCJH-RUZDIDTESA-N 0 0 436.577 4.469 50 0 IIAARN O=C(C1CCCC1)N1CCS[C@@]12c1cc(F)ccc1N(Cc1ccc(F)cc1)C2=O ZINC000036165180 568968244 /nfs/dbraw/zinc/96/82/44/568968244.db2.gz LMTXTESLUDDDOW-HSZRJFAPSA-N 0 0 428.504 4.430 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(F)cc1 ZINC000036165952 568968411 /nfs/dbraw/zinc/96/84/11/568968411.db2.gz FMWUSQGUMRYWBG-HSZRJFAPSA-N 0 0 438.480 4.016 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036166313 568968535 /nfs/dbraw/zinc/96/85/35/568968535.db2.gz FPSXBVFLUANCGA-QFIPXVFZSA-N 0 0 430.957 4.280 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000064835741 568968886 /nfs/dbraw/zinc/96/88/86/568968886.db2.gz UFACVHKXBGIEOX-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064835708 568968981 /nfs/dbraw/zinc/96/89/81/568968981.db2.gz RVFKMTPMSYGBPF-UHFFFAOYSA-N 0 0 445.972 4.118 50 0 IIAARN CCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c1c1ccccc1oc2=O ZINC000064839034 568970314 /nfs/dbraw/zinc/97/03/14/568970314.db2.gz ZIZZKYAQUJRDSU-UHFFFAOYSA-N 0 0 435.911 4.383 50 0 IIAARN CC[C@@H](C(=O)Nc1cccc(C)c1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842778 568971081 /nfs/dbraw/zinc/97/10/81/568971081.db2.gz RKBDPAPWQWUUMC-IBGZPJMESA-N 0 0 432.480 4.267 50 0 IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccccc3F)CC1)N2 ZINC000064848192 568971481 /nfs/dbraw/zinc/97/14/81/568971481.db2.gz VFQAOWJNRBJTKT-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867310 568975206 /nfs/dbraw/zinc/97/52/06/568975206.db2.gz BEENYRJOFBHMTE-UHFFFAOYSA-N 0 0 442.537 4.386 50 0 IIAARN CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCc3ccccc3C2)ccc1O ZINC000036217824 568977747 /nfs/dbraw/zinc/97/77/47/568977747.db2.gz KVUCKXZHZQBNKM-VWLOTQADSA-N 0 0 442.559 4.303 50 0 IIAARN CCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215833 568977800 /nfs/dbraw/zinc/97/78/00/568977800.db2.gz BWFWHNHFUYNWTI-FCHUYYIVSA-N 0 0 447.491 4.120 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000064871911 568977917 /nfs/dbraw/zinc/97/79/17/568977917.db2.gz BXQNHVZCFXOHNG-UHFFFAOYSA-N 0 0 429.567 4.200 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc(OC)c1 ZINC000064872702 568978122 /nfs/dbraw/zinc/97/81/22/568978122.db2.gz PCAJRNJHLROYPV-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2OC)c2ccc(OC)c(OC)c2)cc1 ZINC000036247549 568982283 /nfs/dbraw/zinc/98/22/83/568982283.db2.gz JTAQWWIAHDKNCW-UHFFFAOYSA-N 0 0 443.521 4.117 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cc(OC)cc(OC)c2)cc1 ZINC000036247505 568982329 /nfs/dbraw/zinc/98/23/29/568982329.db2.gz WQKYTQKGHDFGJO-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248806 568983385 /nfs/dbraw/zinc/98/33/85/568983385.db2.gz FDSHSHYITHOBDG-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN CC[C@H](C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036252107 568983964 /nfs/dbraw/zinc/98/39/64/568983964.db2.gz LXMAXJYZVXHGIU-YWZLYKJASA-N 0 0 440.415 4.225 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c1 ZINC000064919449 568985245 /nfs/dbraw/zinc/98/52/45/568985245.db2.gz FIYPJSMQXUZCGL-UHFFFAOYSA-N 0 0 432.455 4.021 50 0 IIAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1Cl ZINC000064924573 568986291 /nfs/dbraw/zinc/98/62/91/568986291.db2.gz YUDYQVWVOASFDE-UHFFFAOYSA-N 0 0 442.926 4.243 50 0 IIAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000064928043 568986706 /nfs/dbraw/zinc/98/67/06/568986706.db2.gz YYMWHZQWTDFNKC-UHFFFAOYSA-N 0 0 433.911 4.438 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)c(C)c1 ZINC000064928564 568987603 /nfs/dbraw/zinc/98/76/03/568987603.db2.gz NCTGXPMBRRDQCE-IBGZPJMESA-N 0 0 434.515 4.152 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c(C)c1 ZINC000064928432 568987661 /nfs/dbraw/zinc/98/76/61/568987661.db2.gz DOVOYEYJSNOHBH-IBGZPJMESA-N 0 0 434.515 4.152 50 0 IIAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928846 568987962 /nfs/dbraw/zinc/98/79/62/568987962.db2.gz YDRJEWHCELGYQC-LJQANCHMSA-N 0 0 440.975 4.109 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)NCCc2ccccc2)s1 ZINC000064930540 568989082 /nfs/dbraw/zinc/98/90/82/568989082.db2.gz JYKQTSYUIXKICV-GOSISDBHSA-N 0 0 439.516 4.019 50 0 IIAARN CCOc1ccc(CC[NH2+]Cc2c3ccc(OC)cc3n(C)c2C(=O)[O-])cc1OCC ZINC000006795026 568989962 /nfs/dbraw/zinc/98/99/62/568989962.db2.gz QFSZLRRNBZIRFR-UHFFFAOYSA-N 0 0 426.513 4.015 50 0 IIAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C[C@@H](O)COC(C)(C)C)C1 ZINC000169679665 568991039 /nfs/dbraw/zinc/99/10/39/568991039.db2.gz PDEUNICQCDERFZ-RTWAWAEBSA-N 0 0 446.538 4.444 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681234 568992773 /nfs/dbraw/zinc/99/27/73/568992773.db2.gz FDDDXPPPQKSNGW-UHFFFAOYSA-N 0 0 448.404 4.367 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1 ZINC000064944380 568993224 /nfs/dbraw/zinc/99/32/24/568993224.db2.gz QITBXKRUHGUDJX-CYBMUJFWSA-N 0 0 441.582 4.256 50 0 IIAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2N)cc1Cl ZINC000064948746 568994446 /nfs/dbraw/zinc/99/44/46/568994446.db2.gz OTONJJNWBTYZBW-UHFFFAOYSA-N 0 0 431.880 4.450 50 0 IIAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000064951011 568996103 /nfs/dbraw/zinc/99/61/03/568996103.db2.gz ABBHOTQCCNARFZ-UHFFFAOYSA-N 0 0 426.398 4.153 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)c1 ZINC000006806267 568996328 /nfs/dbraw/zinc/99/63/28/568996328.db2.gz YTLVNAJAMHNXQE-UHFFFAOYSA-N 0 0 425.554 4.276 50 0 IIAARN O=C(Nc1ccc(F)cc1F)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036312061 568997608 /nfs/dbraw/zinc/99/76/08/568997608.db2.gz UWFGFSNHFPXYLA-JOCHJYFZSA-N 0 0 445.485 4.059 50 0 IIAARN CC[C@@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)c1ccco1 ZINC000036313213 568997925 /nfs/dbraw/zinc/99/79/25/568997925.db2.gz UAPJJUZOQXXZPS-MRXNPFEDSA-N 0 0 427.476 4.351 50 0 IIAARN CC(C)(C)c1ccc2oc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc2c1 ZINC000064957229 568999435 /nfs/dbraw/zinc/99/94/35/568999435.db2.gz SWAKBSFUJMXETL-UHFFFAOYSA-N 0 0 447.988 4.285 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(C)cc(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959226 568999629 /nfs/dbraw/zinc/99/96/29/568999629.db2.gz KCIWDGFWNJEEDD-KRWDZBQOSA-N 0 0 446.503 4.174 50 0 IIAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(C)c(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959224 568999635 /nfs/dbraw/zinc/99/96/35/568999635.db2.gz IARACSZUJFOVFI-QGZVFWFLSA-N 0 0 446.503 4.174 50 0 IIAARN CCc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000064959211 568999794 /nfs/dbraw/zinc/99/97/94/568999794.db2.gz WFNOVIMKMSAOJE-KRWDZBQOSA-N 0 0 446.503 4.120 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCCN32)cc1C ZINC000138557021 569000746 /nfs/dbraw/zinc/00/07/46/569000746.db2.gz RQKWCEHANOZNPT-XUVXKRRUSA-N 0 0 430.335 4.146 50 0 IIAARN Cc1cccc(Cc2nnc(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)[nH]2)c1 ZINC000064969841 569076205 /nfs/dbraw/zinc/07/62/05/569076205.db2.gz TVBOFBXDRNQEPA-UHFFFAOYSA-N 0 0 438.597 4.273 50 0 IIAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970862 569076335 /nfs/dbraw/zinc/07/63/35/569076335.db2.gz XNDBIFAYTQIHJA-HXUWFJFHSA-N 0 0 429.524 4.406 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970914 569076343 /nfs/dbraw/zinc/07/63/43/569076343.db2.gz VUWQIRPEHJVMJJ-OAQYLSRUSA-N 0 0 429.524 4.406 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)c(=O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC000064971824 569076842 /nfs/dbraw/zinc/07/68/42/569076842.db2.gz JVTCZMBBGYQJRJ-UHFFFAOYSA-N 0 0 436.418 4.099 50 0 IIAARN Cc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000064972475 569076915 /nfs/dbraw/zinc/07/69/15/569076915.db2.gz HVFJBZISULJGHO-XMMPIXPASA-N 0 0 448.588 4.044 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2C)c1 ZINC000064972515 569076952 /nfs/dbraw/zinc/07/69/52/569076952.db2.gz YKQSSIGPMBFMFH-XMMPIXPASA-N 0 0 448.588 4.044 50 0 IIAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(C)c(C)c4)ccc32)cc1 ZINC000064976978 569077393 /nfs/dbraw/zinc/07/73/93/569077393.db2.gz NQJMDNFOWVWBHV-UHFFFAOYSA-N 0 0 434.561 4.293 50 0 IIAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064979459 569077861 /nfs/dbraw/zinc/07/78/61/569077861.db2.gz QTABMWGJPLATNC-UHFFFAOYSA-N 0 0 426.538 4.302 50 0 IIAARN O=C(CN1CCCCC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341794 569079032 /nfs/dbraw/zinc/07/90/32/569079032.db2.gz UAHWEEMXDBHQLM-HXUWFJFHSA-N 0 0 425.916 4.232 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 ZINC000036343061 569079689 /nfs/dbraw/zinc/07/96/89/569079689.db2.gz WZAGFZRRWDEGQA-RPBOFIJWSA-N 0 0 447.579 4.399 50 0 IIAARN COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344496 569080230 /nfs/dbraw/zinc/08/02/30/569080230.db2.gz DBABPDXHSIYCAA-QHCPKHFHSA-N 0 0 439.531 4.253 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345570 569080569 /nfs/dbraw/zinc/08/05/69/569080569.db2.gz QGSWPEOPTDVNBV-ZCYQVOJMSA-N 0 0 447.579 4.256 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036346684 569081376 /nfs/dbraw/zinc/08/13/76/569081376.db2.gz MAHNQIUMVYUFOQ-INIZCTEOSA-N 0 0 431.483 4.080 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985353 569081874 /nfs/dbraw/zinc/08/18/74/569081874.db2.gz VOWQKDIQANMDGM-OAQYLSRUSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)Oc3cc(C)ccc32)cc1 ZINC000064986043 569082078 /nfs/dbraw/zinc/08/20/78/569082078.db2.gz AKTFNNHHCIMMTB-QFIPXVFZSA-N 0 0 440.496 4.038 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(F)cc3)Oc3ccc(C)cc32)cc1 ZINC000064985878 569082088 /nfs/dbraw/zinc/08/20/88/569082088.db2.gz TUUMQXOQSVEJSM-QFIPXVFZSA-N 0 0 440.496 4.038 50 0 IIAARN CCN(C)S(=O)(=O)c1cc2c(cc1N1CCCCCC1)Oc1ccc(C)cc1NC2=O ZINC000064986798 569082309 /nfs/dbraw/zinc/08/23/09/569082309.db2.gz QTHMHUHPOWEEQN-UHFFFAOYSA-N 0 0 443.569 4.374 50 0 IIAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000064988864 569082903 /nfs/dbraw/zinc/08/29/03/569082903.db2.gz CEKIYMAUWTVLQN-UHFFFAOYSA-N 0 0 428.483 4.207 50 0 IIAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(F)cc4F)CC3)C2=O)c1 ZINC000064989075 569082911 /nfs/dbraw/zinc/08/29/11/569082911.db2.gz RDEFSYYKKMIJOM-UHFFFAOYSA-N 0 0 428.483 4.207 50 0 IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccccc4Cl)cc32)cc1 ZINC000064989983 569083151 /nfs/dbraw/zinc/08/31/51/569083151.db2.gz SEMDYNKSVNFXLS-UHFFFAOYSA-N 0 0 434.923 4.410 50 0 IIAARN COc1cccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000064990363 569083257 /nfs/dbraw/zinc/08/32/57/569083257.db2.gz RTJCJKCXHJIACJ-UHFFFAOYSA-N 0 0 429.520 4.206 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988737 569083696 /nfs/dbraw/zinc/08/36/96/569083696.db2.gz CQAIUSSAFQCIJY-UHFFFAOYSA-N 0 0 430.911 4.413 50 0 IIAARN CC(C)CNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000006832965 569084219 /nfs/dbraw/zinc/08/42/19/569084219.db2.gz YWKPJFVXPZRLPM-GFBDMGBSSA-N 0 0 426.479 4.225 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000006833610 569084318 /nfs/dbraw/zinc/08/43/18/569084318.db2.gz VRWIPXGORHDRTL-QFIPXVFZSA-N 0 0 426.488 4.343 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000006833826 569084350 /nfs/dbraw/zinc/08/43/50/569084350.db2.gz PQRZORMFRQAWOF-JOCHJYFZSA-N 0 0 426.488 4.425 50 0 IIAARN COc1ccc(NC(=O)c2c3c(cn(-c4ccc(F)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000207 569085903 /nfs/dbraw/zinc/08/59/03/569085903.db2.gz NKAFLILXDVBOHI-UHFFFAOYSA-N 0 0 434.467 4.393 50 0 IIAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC(F)F ZINC000036367170 569087281 /nfs/dbraw/zinc/08/72/81/569087281.db2.gz BABDDGIGYYRVDL-NSHDSACASA-N 0 0 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ZINC000065034685 569092310 /nfs/dbraw/zinc/09/23/10/569092310.db2.gz KWWOHVNXVOPPJP-UHFFFAOYSA-N 0 0 445.972 4.028 50 0 IIAARN O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000169753307 569093285 /nfs/dbraw/zinc/09/32/85/569093285.db2.gz ZYHBYRJPUXCHMM-SFHVURJKSA-N 0 0 439.357 4.167 50 0 IIAARN CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000169755677 569093454 /nfs/dbraw/zinc/09/34/54/569093454.db2.gz VINNBUMIEHXCLU-FQEVSTJZSA-N 0 0 437.931 4.087 50 0 IIAARN CCOc1cc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc(OCC)c1OCC ZINC000169754788 569093814 /nfs/dbraw/zinc/09/38/14/569093814.db2.gz MJDWXOMKWGKOBY-UHFFFAOYSA-N 0 0 445.560 4.484 50 0 IIAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3Cl)nc(N3CCC(C)CC3)c12 ZINC000065056439 569094789 /nfs/dbraw/zinc/09/47/89/569094789.db2.gz DUGWASHXGYIVMZ-UHFFFAOYSA-N 0 0 445.926 4.204 50 0 IIAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3Cl)nc(N3CCCCCC3)c12 ZINC000065056609 569094926 /nfs/dbraw/zinc/09/49/26/569094926.db2.gz 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ZINC000036709263 569136251 /nfs/dbraw/zinc/13/62/51/569136251.db2.gz GTWIRTGDLHEORR-UHFFFAOYSA-N 0 0 444.563 4.461 50 0 IIAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1SCc1cscn1 ZINC000036714638 569136835 /nfs/dbraw/zinc/13/68/35/569136835.db2.gz AWDWPUXWTXONEH-UHFFFAOYSA-N 0 0 445.591 4.228 50 0 IIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NC(=O)c3cccs3)o2)cc1 ZINC000036874437 569138582 /nfs/dbraw/zinc/13/85/82/569138582.db2.gz IBGISXHCKGJBMQ-UHFFFAOYSA-N 0 0 446.484 4.492 50 0 IIAARN COC(=O)c1cc(Cl)c(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000065563554 569139204 /nfs/dbraw/zinc/13/92/04/569139204.db2.gz SDCYCEZNCXYSEM-INIZCTEOSA-N 0 0 432.904 4.348 50 0 IIAARN Cc1c(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000065575700 569139869 /nfs/dbraw/zinc/13/98/69/569139869.db2.gz NRBJLOHVCZSEHL-UHFFFAOYSA-N 0 0 443.276 4.120 50 0 IIAARN C[C@H](Oc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cn1)c1ccccc1 ZINC000065593831 569140036 /nfs/dbraw/zinc/14/00/36/569140036.db2.gz 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Cc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccsc2)c1 ZINC000170612571 569146045 /nfs/dbraw/zinc/14/60/45/569146045.db2.gz VHLRBWUGTGSVEV-OAQYLSRUSA-N 0 0 439.562 4.420 50 0 IIAARN O=c1c2cc(I)ccc2ncn1Cc1cc2ccccc2c(Cl)n1 ZINC000170613018 569146157 /nfs/dbraw/zinc/14/61/57/569146157.db2.gz PVFIHUDHOJSJPA-UHFFFAOYSA-N 0 0 447.663 4.251 50 0 IIAARN COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1-c1ccccc1 ZINC000170622220 569147997 /nfs/dbraw/zinc/14/79/97/569147997.db2.gz IIWUIROISOBMRI-UHFFFAOYSA-N 0 0 448.504 4.258 50 0 IIAARN O=C(C[C@H]1OCCc2ccccc21)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000170627088 569148531 /nfs/dbraw/zinc/14/85/31/569148531.db2.gz VBULQNWFPMCCEP-OAHLLOKOSA-N 0 0 445.235 4.428 50 0 IIAARN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000170629419 569148857 /nfs/dbraw/zinc/14/88/57/569148857.db2.gz BXQKQMOXZPUSJU-QZTJIDSGSA-N 0 0 429.444 4.196 50 0 IIAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)Nc1nnc(-c2ccccc2)o1 ZINC000009883342 569149975 /nfs/dbraw/zinc/14/99/75/569149975.db2.gz FOIDYDTXUVZHEV-UHFFFAOYSA-N 0 0 431.399 4.429 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009884208 569150303 /nfs/dbraw/zinc/15/03/03/569150303.db2.gz FKZDWPYQFXKUGL-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN C[C@@H]1CCCN(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)C1 ZINC000009955668 569151288 /nfs/dbraw/zinc/15/12/88/569151288.db2.gz SZRJKDKJDBWGKP-CQSZACIVSA-N 0 0 431.945 4.042 50 0 IIAARN COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000009995914 569151401 /nfs/dbraw/zinc/15/14/01/569151401.db2.gz MDZNMIZKAPQGNW-UHFFFAOYSA-N 0 0 425.506 4.172 50 0 IIAARN O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000010027747 569151775 /nfs/dbraw/zinc/15/17/75/569151775.db2.gz LVPKUNSCFCXWOO-QFIPXVFZSA-N 0 0 433.558 4.203 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000010059477 569152192 /nfs/dbraw/zinc/15/21/92/569152192.db2.gz YXOYYYOFSDUCFT-UHFFFAOYSA-N 0 0 438.505 4.259 50 0 IIAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000010220695 569152957 /nfs/dbraw/zinc/15/29/57/569152957.db2.gz BJBJVJZHYRQVIX-UHFFFAOYSA-N 0 0 449.326 4.115 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2Cl)CSC3)c(C)c1 ZINC000010220918 569153135 /nfs/dbraw/zinc/15/31/35/569153135.db2.gz MHCSHOXDOXWAOZ-UHFFFAOYSA-N 0 0 440.956 4.144 50 0 IIAARN O=C(CCSc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010217278 569153283 /nfs/dbraw/zinc/15/32/83/569153283.db2.gz VHJFDVIAMQQIQR-UHFFFAOYSA-N 0 0 448.491 4.053 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 ZINC000010219512 569153722 /nfs/dbraw/zinc/15/37/22/569153722.db2.gz VPTPAWZCIHZCAG-UHFFFAOYSA-N 0 0 446.575 4.227 50 0 IIAARN COc1cn(CC(=O)Nc2cccc3ccccc32)c(CSc2nccc(C)n2)cc1=O ZINC000010254971 569153924 /nfs/dbraw/zinc/15/39/24/569153924.db2.gz GXYJDPYNPAXFLL-UHFFFAOYSA-N 0 0 446.532 4.040 50 0 IIAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013295089 569154892 /nfs/dbraw/zinc/15/48/92/569154892.db2.gz BGUICRCMLNKSOV-LSDHHAIUSA-N 0 0 433.512 4.413 50 0 IIAARN COc1ccccc1N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014049712 569157611 /nfs/dbraw/zinc/15/76/11/569157611.db2.gz KVZVEFMCRKFYDF-UHFFFAOYSA-N 0 0 425.916 4.285 50 0 IIAARN COc1ccc(C(=O)C2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000014326578 569158681 /nfs/dbraw/zinc/15/86/81/569158681.db2.gz JFBZCVKRNYOJPR-IBGZPJMESA-N 0 0 434.580 4.346 50 0 IIAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)s2)c1 ZINC000089672875 569161186 /nfs/dbraw/zinc/16/11/86/569161186.db2.gz GHGISINTQHUPPR-ZDUSSCGKSA-N 0 0 428.539 4.288 50 0 IIAARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000498049256 569161333 /nfs/dbraw/zinc/16/13/33/569161333.db2.gz DGPZKDQQKGWWSJ-YGTYWKFESA-N 0 0 432.557 4.354 50 0 IIAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cc(=O)[nH]1)Nc1oncc1-c1ccccc1 ZINC000016841377 569163214 /nfs/dbraw/zinc/16/32/14/569163214.db2.gz LXSRNRRCBDSVLB-UHFFFAOYSA-N 0 0 438.896 4.476 50 0 IIAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016843278 569163546 /nfs/dbraw/zinc/16/35/46/569163546.db2.gz WWVQGOQIADVCRF-UHFFFAOYSA-N 0 0 442.522 4.329 50 0 IIAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1Cl ZINC000016844503 569163770 /nfs/dbraw/zinc/16/37/70/569163770.db2.gz BJSKTVZEMSDZNN-UHFFFAOYSA-N 0 0 430.913 4.446 50 0 IIAARN O=C([C@@H]1CCCN1c1ncnc2sccc21)N1CCc2cc(Br)ccc21 ZINC000089800316 569165026 /nfs/dbraw/zinc/16/50/26/569165026.db2.gz OGPHYTKVMFUKIJ-INIZCTEOSA-N 0 0 429.343 4.012 50 0 IIAARN O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000089878704 569166594 /nfs/dbraw/zinc/16/65/94/569166594.db2.gz HUGIZVYZTOWFRD-UHFFFAOYSA-N 0 0 430.529 4.140 50 0 IIAARN COc1cc([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000016943695 569166919 /nfs/dbraw/zinc/16/69/19/569166919.db2.gz HUGNPBICXGSMSY-OAQYLSRUSA-N 0 0 441.528 4.455 50 0 IIAARN COc1ccc(-c2cn3nc(SCC(=O)NCc4ccccc4Cl)ccc3n2)cc1 ZINC000016954766 569167648 /nfs/dbraw/zinc/16/76/48/569167648.db2.gz GKWMDHYBTUFMKD-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000089942280 569168356 /nfs/dbraw/zinc/16/83/56/569168356.db2.gz YZHGJISYXXBWGA-ZJUUUORDSA-N 0 0 432.689 4.175 50 0 IIAARN C[C@H]1CN([C@@H](CNC(=O)c2cccnc2Nc2cccc(F)c2)c2cccs2)CCO1 ZINC000089941157 569168400 /nfs/dbraw/zinc/16/84/00/569168400.db2.gz SVWXENNGFULWIS-JXFKEZNVSA-N 0 0 440.544 4.218 50 0 IIAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c12 ZINC000016992974 569169779 /nfs/dbraw/zinc/16/97/79/569169779.db2.gz SVZSXTVQEBMMHC-LJQANCHMSA-N 0 0 446.532 4.019 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000016993974 569169879 /nfs/dbraw/zinc/16/98/79/569169879.db2.gz APRSWDKBQMEIGO-UHFFFAOYSA-N 0 0 425.529 4.480 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C ZINC000017011377 569170375 /nfs/dbraw/zinc/17/03/75/569170375.db2.gz RAYQVNHHKWYEKB-UHFFFAOYSA-N 0 0 438.553 4.252 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c(OC)c1 ZINC000017013398 569170620 /nfs/dbraw/zinc/17/06/20/569170620.db2.gz KZCCFRUHZQMAKO-UHFFFAOYSA-N 0 0 433.512 4.398 50 0 IIAARN Cc1ccc(C)c(CSc2ncc(CO)n2CC(=O)NCc2ccc(Cl)cc2)c1 ZINC000017026166 569170949 /nfs/dbraw/zinc/17/09/49/569170949.db2.gz HPJZQIMFISCWBM-UHFFFAOYSA-N 0 0 429.973 4.254 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1 ZINC000017041370 569171494 /nfs/dbraw/zinc/17/14/94/569171494.db2.gz XTSMWMXZYAKPLL-UHFFFAOYSA-N 0 0 444.560 4.443 50 0 IIAARN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000170632915 569172192 /nfs/dbraw/zinc/17/21/92/569172192.db2.gz UXDSOAWWEGJVLJ-IBGZPJMESA-N 0 0 427.382 4.101 50 0 IIAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CC1 ZINC000037356868 569173069 /nfs/dbraw/zinc/17/30/69/569173069.db2.gz ZCYUDDVMJHFILS-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN Cc1ccc(NC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1Cl ZINC000017120773 569174252 /nfs/dbraw/zinc/17/42/52/569174252.db2.gz KBPWWMHYLXCISI-HXUWFJFHSA-N 0 0 427.913 4.303 50 0 IIAARN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000170637438 569178414 /nfs/dbraw/zinc/17/84/14/569178414.db2.gz REDDMACAVQHZHJ-AWEZNQCLSA-N 0 0 437.304 4.309 50 0 IIAARN Cc1cccc(NC2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)CC2)c1 ZINC000170638090 569178537 /nfs/dbraw/zinc/17/85/37/569178537.db2.gz IUWJHIJLLQFKSS-UHFFFAOYSA-N 0 0 440.341 4.316 50 0 IIAARN Cc1cc(OC(=O)[C@H](C)NC(=O)OCc2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002094178 569179088 /nfs/dbraw/zinc/17/90/88/569179088.db2.gz ZRVMDRCXMJXGOO-INIZCTEOSA-N 0 0 435.476 4.201 50 0 biogenic IIAARN CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000027130530 569179529 /nfs/dbraw/zinc/17/95/29/569179529.db2.gz BUQBCBAVLRLCQC-UHFFFAOYSA-N 0 0 434.418 4.225 50 0 IIAARN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NCCNC(=O)c1ccco1 ZINC000027135380 569179564 /nfs/dbraw/zinc/17/95/64/569179564.db2.gz DWWKLLHHEDRGPB-UHFFFAOYSA-N 0 0 437.546 4.220 50 0 IIAARN COC(=O)Cc1c(C)c2c(OCC(=O)c3c(C)n(C)c4ccccc43)cc(C)cc2oc1=O ZINC000002111850 569181990 /nfs/dbraw/zinc/18/19/90/569181990.db2.gz YPVYZJQXNCXGIT-UHFFFAOYSA-N 0 0 447.487 4.187 50 0 biogenic IIAARN CCOc1ccc(-c2nc(C(=O)N3CCOCC3)cc3c4ccccc4[nH]c32)cc1OC ZINC000002112706 569182063 /nfs/dbraw/zinc/18/20/63/569182063.db2.gz UNRPCIDBQPOCOJ-UHFFFAOYSA-N 0 0 431.492 4.263 50 0 biogenic IIAARN COc1cccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4[nH]c32)c1OC ZINC000002112449 569182064 /nfs/dbraw/zinc/18/20/64/569182064.db2.gz QMQVWVOZXZIEPP-HNNXBMFYSA-N 0 0 431.492 4.309 50 0 biogenic IIAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N12 ZINC000002122198 569183581 /nfs/dbraw/zinc/18/35/81/569183581.db2.gz MQJHADRBSZGPLJ-RPLLCQBOSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(OC)c1 ZINC000252453075 569184191 /nfs/dbraw/zinc/18/41/91/569184191.db2.gz BGSDUYZDQCDMJD-JDMIUSOHSA-N 0 0 436.552 4.342 50 0 IIAARN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccccn1 ZINC000252467607 569184783 /nfs/dbraw/zinc/18/47/83/569184783.db2.gz VKOBDQZVZBHXGF-UHFFFAOYSA-N 0 0 445.888 4.280 50 0 IIAARN COCCNc1nc2nn(-c3ccc(C(C)C)cc3)c(N)c2c(-c2cccc(OC)c2)n1 ZINC000037375877 569185503 /nfs/dbraw/zinc/18/55/03/569185503.db2.gz LLCHOCLPSACQEU-UHFFFAOYSA-N 0 0 432.528 4.255 50 0 IIAARN CC(C)C[C@@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000252490269 569186860 /nfs/dbraw/zinc/18/68/60/569186860.db2.gz KNOPQUJAKVPTPZ-JOCHJYFZSA-N 0 0 446.555 4.132 50 0 IIAARN CC(C)[C@@](C)(O)c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000252496659 569187975 /nfs/dbraw/zinc/18/79/75/569187975.db2.gz PODOHOKUOIJSJG-AUUYWEPGSA-N 0 0 445.438 4.446 50 0 IIAARN COC1CCN(c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)CC1 ZINC000252497467 569187986 /nfs/dbraw/zinc/18/79/86/569187986.db2.gz QITJAUQDWGLVNW-UHFFFAOYSA-N 0 0 427.976 4.226 50 0 IIAARN CCCCC(=O)N1CCN(c2nc(CCC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037378179 569188608 /nfs/dbraw/zinc/18/86/08/569188608.db2.gz NDNNLHZIVHEQRO-UHFFFAOYSA-N 0 0 438.551 4.054 50 0 IIAARN CCCC(=O)N1CCCN(c2nc(CCC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037378907 569188917 /nfs/dbraw/zinc/18/89/17/569188917.db2.gz MZROGBMHSZHWJS-UHFFFAOYSA-N 0 0 438.551 4.054 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12 ZINC000252518132 569189311 /nfs/dbraw/zinc/18/93/11/569189311.db2.gz ACMPNWJLHHYBKF-YADHBBJMSA-N 0 0 443.503 4.302 50 0 IIAARN CC(C)Cn1ccc2c1cccc2NC(=O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000252518195 569189337 /nfs/dbraw/zinc/18/93/37/569189337.db2.gz AHGTYOZEFPEMFG-JOCHJYFZSA-N 0 0 446.551 4.384 50 0 IIAARN CC(C)[C@@H](CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000252539702 569190179 /nfs/dbraw/zinc/19/01/79/569190179.db2.gz OKDLONHGQVOZQL-YLJYHZDGSA-N 0 0 427.932 4.376 50 0 IIAARN COc1cccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000037399738 569194649 /nfs/dbraw/zinc/19/46/49/569194649.db2.gz BQVXKELJPLRWSI-UHFFFAOYSA-N 0 0 441.601 4.006 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000037400392 569194945 /nfs/dbraw/zinc/19/49/45/569194945.db2.gz KTUULBGKRTVQRF-UHFFFAOYSA-N 0 0 443.496 4.151 50 0 IIAARN CC(C)C(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037401373 569195166 /nfs/dbraw/zinc/19/51/66/569195166.db2.gz OBSPOOSHEARMKE-UHFFFAOYSA-N 0 0 431.485 4.371 50 0 IIAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000037423679 569195468 /nfs/dbraw/zinc/19/54/68/569195468.db2.gz TWZUJBXXNVJKQR-UHFFFAOYSA-N 0 0 437.876 4.253 50 0 IIAARN CO[C@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000170683013 569195479 /nfs/dbraw/zinc/19/54/79/569195479.db2.gz XRALFARBWRBXHX-HKUYNNGSSA-N 0 0 431.521 4.197 50 0 IIAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)CC(C)C ZINC000037422521 569195538 /nfs/dbraw/zinc/19/55/38/569195538.db2.gz WFHVSTMVUDRGHO-UHFFFAOYSA-N 0 0 442.940 4.434 50 0 IIAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(Cc1ccco1)C(=O)NC(C)(C)C ZINC000037424089 569195588 /nfs/dbraw/zinc/19/55/88/569195588.db2.gz LRPZLMCTVSJKMQ-UHFFFAOYSA-N 0 0 428.938 4.172 50 0 IIAARN Cc1cccc(Nc2nc(C(=O)N(CCC(=O)N3CCCC3)Cc3ccco3)cs2)c1 ZINC000037426094 569195732 /nfs/dbraw/zinc/19/57/32/569195732.db2.gz RMOYPRCKEVIVMI-UHFFFAOYSA-N 0 0 438.553 4.443 50 0 IIAARN CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000037524556 569198846 /nfs/dbraw/zinc/19/88/46/569198846.db2.gz YSGNPLGHSXAWHG-UHFFFAOYSA-N 0 0 441.522 4.236 50 0 IIAARN COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NCc3ccccc3)CC2)cc1 ZINC000037554252 569200347 /nfs/dbraw/zinc/20/03/47/569200347.db2.gz DMHRSYVZSXQPDD-UHFFFAOYSA-N 0 0 443.547 4.348 50 0 IIAARN O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4)n32)CC1 ZINC000037554827 569200501 /nfs/dbraw/zinc/20/05/01/569200501.db2.gz LYVHHTBNSXZHGP-UHFFFAOYSA-N 0 0 449.518 4.299 50 0 IIAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NC1CC1 ZINC000037602049 569202366 /nfs/dbraw/zinc/20/23/66/569202366.db2.gz LYKDMIXSELLWMZ-DQEYMECFSA-N 0 0 432.564 4.315 50 0 IIAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)Cc1cccs1 ZINC000037623622 569203305 /nfs/dbraw/zinc/20/33/05/569203305.db2.gz GWNNVHKFYYGABJ-HNNXBMFYSA-N 0 0 428.945 4.264 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000003154898 569213303 /nfs/dbraw/zinc/21/33/03/569213303.db2.gz XNRJMKREQWDQBA-VUUXHMSQSA-N 0 0 427.887 4.480 50 0 IIAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000001074236 569256504 /nfs/dbraw/zinc/25/65/04/569256504.db2.gz QGFSZRWZGVGTKK-QWCLJVIDSA-N 0 0 428.282 4.378 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cccc2[nH]ccc21 ZINC000253411542 569265763 /nfs/dbraw/zinc/26/57/63/569265763.db2.gz OTSFUTBRGMLWLP-DEOSSOPVSA-N 0 0 436.471 4.312 50 0 biogenic IIAARN Cc1ncsc1C(=O)Nc1cc(NC(=O)c2scnc2C)nc(-c2ccccc2)n1 ZINC000253427035 569267346 /nfs/dbraw/zinc/26/73/46/569267346.db2.gz KQVUMOKWQVBTBU-UHFFFAOYSA-N 0 0 436.522 4.178 50 0 IIAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000027534517 569267800 /nfs/dbraw/zinc/26/78/00/569267800.db2.gz XFYFNXBZZGXZTI-GOSISDBHSA-N 0 0 449.624 4.337 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CC[C@@H](C)C3 ZINC000002299163 569268395 /nfs/dbraw/zinc/26/83/95/569268395.db2.gz XRFXRKZOEQMYJV-GFCCVEGCSA-N 0 0 426.567 4.340 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 ZINC000002334190 569274233 /nfs/dbraw/zinc/27/42/33/569274233.db2.gz YQAOVUCMKYOSJX-QFIPXVFZSA-N 0 0 444.578 4.344 50 0 IIAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002324462 569274279 /nfs/dbraw/zinc/27/42/79/569274279.db2.gz VREZRMNWMYAQKE-UHFFFAOYSA-N 0 0 439.494 4.327 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002344131 569275302 /nfs/dbraw/zinc/27/53/02/569275302.db2.gz CCJQJTSLOBVWFU-JOCHJYFZSA-N 0 0 443.430 4.464 50 0 IIAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2)N1C[C@H]1CCCO1 ZINC000002343793 569275386 /nfs/dbraw/zinc/27/53/86/569275386.db2.gz QFDMJMQYZOLPAR-DNVCBOLYSA-N 0 0 440.293 4.280 50 0 IIAARN COc1cc2c3c(c1)C(CSc1nc(C)c4ccccc4n1)=CC(C)(C)N3C(=O)C2=O ZINC000253495501 569283233 /nfs/dbraw/zinc/28/32/33/569283233.db2.gz GUKQMMIPVOTTMS-UHFFFAOYSA-N 0 0 431.517 4.444 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002362219 569287636 /nfs/dbraw/zinc/28/76/36/569287636.db2.gz NDDZUKLNQXNSNT-HKUYNNGSSA-N 0 0 443.551 4.097 50 0 IIAARN Cc1c(OC(=O)CCNC(=O)OCc2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002373815 569289201 /nfs/dbraw/zinc/28/92/01/569289201.db2.gz RMEUHKGGCIMGHC-UHFFFAOYSA-N 0 0 435.476 4.202 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000002373504 569289220 /nfs/dbraw/zinc/28/92/20/569289220.db2.gz DZCUDWNYZAINPA-CSPWOOARSA-N 0 0 430.378 4.284 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2N)c1 ZINC000002375530 569289359 /nfs/dbraw/zinc/28/93/59/569289359.db2.gz FPWPOIKSMBSQKY-UHFFFAOYSA-N 0 0 445.548 4.277 50 0 IIAARN CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)c1O ZINC000225335640 569290332 /nfs/dbraw/zinc/29/03/32/569290332.db2.gz NBTVFZWDNKCAKL-UHFFFAOYSA-N 0 0 445.269 4.009 50 0 IIAARN CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000027692653 569290491 /nfs/dbraw/zinc/29/04/91/569290491.db2.gz DHBWSCFZWLMRCG-UHFFFAOYSA-N 0 0 445.548 4.334 50 0 IIAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000008873924 569291847 /nfs/dbraw/zinc/29/18/47/569291847.db2.gz YITOBPIEKKAGGD-UHFFFAOYSA-N 0 0 439.459 4.178 50 0 IIAARN COc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)cc1OC ZINC000002412207 569301011 /nfs/dbraw/zinc/30/10/11/569301011.db2.gz LJJXQXGCFOWSOD-UHFFFAOYSA-N 0 0 441.278 4.454 50 0 IIAARN CCCCCCN1CN(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002418327 569301585 /nfs/dbraw/zinc/30/15/85/569301585.db2.gz CCGDSWKSLYAGNL-UHFFFAOYSA-N 0 0 426.542 4.192 50 0 IIAARN Nc1nc2sc3c(c2c2nnc(SCC(=O)c4cccc(Cl)c4)n21)CCCC3 ZINC000002428013 569302722 /nfs/dbraw/zinc/30/27/22/569302722.db2.gz BBKZPSXVVSXOAZ-UHFFFAOYSA-N 0 0 429.958 4.428 50 0 IIAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012812378 569304989 /nfs/dbraw/zinc/30/49/89/569304989.db2.gz LFPWLMKMIIHWPS-QFIPXVFZSA-N 0 0 445.906 4.109 50 0 IIAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012940032 569305030 /nfs/dbraw/zinc/30/50/30/569305030.db2.gz JZGDESMRUBBELO-UHFFFAOYSA-N 0 0 439.943 4.408 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1Cl ZINC000002453498 569305531 /nfs/dbraw/zinc/30/55/31/569305531.db2.gz MRPHQYRYPMNQQD-UHFFFAOYSA-N 0 0 439.928 4.267 50 0 IIAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Br)cc1 ZINC000013009570 569306565 /nfs/dbraw/zinc/30/65/65/569306565.db2.gz WUWICZGSCAAFDF-UHFFFAOYSA-N 0 0 435.285 4.421 50 0 IIAARN Cc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cnn1-c1ccccc1C(F)(F)F ZINC000013014710 569307014 /nfs/dbraw/zinc/30/70/14/569307014.db2.gz GZJTWQDUJIGEJS-UHFFFAOYSA-N 0 0 430.430 4.219 50 0 IIAARN O=C(CCSCCOc1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 ZINC000013019540 569307281 /nfs/dbraw/zinc/30/72/81/569307281.db2.gz ZIZXVCSCVAHQFP-UHFFFAOYSA-N 0 0 438.343 4.361 50 0 IIAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)CC(c2ccccc2)c2ccccc2)c3=O)cc1 ZINC000013036693 569307502 /nfs/dbraw/zinc/30/75/02/569307502.db2.gz SRUXDVDJYQZXLK-UHFFFAOYSA-N 0 0 449.514 4.183 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4oc3=S)CC2)cc1 ZINC000013071705 569309002 /nfs/dbraw/zinc/30/90/02/569309002.db2.gz NZTOCYDFZBWJMW-KRWDZBQOSA-N 0 0 445.610 4.441 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=S)N[C@@H]1CCCC[C@@H]1C ZINC000013073193 569309069 /nfs/dbraw/zinc/30/90/69/569309069.db2.gz XKWUTLSYVSXNCG-FUHWJXTLSA-N 0 0 439.647 4.125 50 0 IIAARN O=C(COc1cccc(Br)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000013102376 569310031 /nfs/dbraw/zinc/31/00/31/569310031.db2.gz ZKAVYCDLSGIJPD-UHFFFAOYSA-N 0 0 447.310 4.361 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000013114926 569310743 /nfs/dbraw/zinc/31/07/43/569310743.db2.gz QEOHKEGSXZMLMN-LJQANCHMSA-N 0 0 448.588 4.349 50 0 IIAARN Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000013120752 569311134 /nfs/dbraw/zinc/31/11/34/569311134.db2.gz HPHOXNZAHBZGJJ-UHFFFAOYSA-N 0 0 436.585 4.390 50 0 IIAARN CCn1cc(C(=O)N(C)c2ccc(Br)cc2)c2cc(OC)c(OC)cc2c1=O ZINC000002455954 569311397 /nfs/dbraw/zinc/31/13/97/569311397.db2.gz LIGSMCLGVVKMAI-UHFFFAOYSA-N 0 0 445.313 4.078 50 0 IIAARN COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013138263 569311665 /nfs/dbraw/zinc/31/16/65/569311665.db2.gz FNNJODZUWSVLMP-UHFFFAOYSA-N 0 0 442.459 4.141 50 0 IIAARN Cc1cccc(C(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1 ZINC000013354105 569313421 /nfs/dbraw/zinc/31/34/21/569313421.db2.gz KIYAQXWRFGCKBT-UHFFFAOYSA-N 0 0 425.579 4.349 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013359622 569313891 /nfs/dbraw/zinc/31/38/91/569313891.db2.gz PAZHZCQCZMYUSO-UHFFFAOYSA-N 0 0 437.521 4.399 50 0 IIAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2=O)s1 ZINC000013368057 569314464 /nfs/dbraw/zinc/31/44/64/569314464.db2.gz ARGQQVUIDHNBCH-UHFFFAOYSA-N 0 0 440.912 4.198 50 0 IIAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4)c3)cc2=O)s1 ZINC000013368252 569314585 /nfs/dbraw/zinc/31/45/85/569314585.db2.gz RQMNBCPECKLBFH-UHFFFAOYSA-N 0 0 434.521 4.325 50 0 IIAARN CCCc1nn2c(nc(COc3ccc(NC(=O)c4cccc(C)c4)cc3)cc2=O)s1 ZINC000013368597 569314680 /nfs/dbraw/zinc/31/46/80/569314680.db2.gz DQHBUEYOZNFZNI-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN Cc1nc(CC(C)C)oc1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000328591522 569316977 /nfs/dbraw/zinc/31/69/77/569316977.db2.gz SPMWDADOOOQWLI-UHFFFAOYSA-N 0 0 445.361 4.483 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(Oc2ncccc2C)CC1 ZINC000328593647 569317426 /nfs/dbraw/zinc/31/74/26/569317426.db2.gz SGLGIYJDBSBHMC-UHFFFAOYSA-N 0 0 438.553 4.366 50 0 IIAARN CCC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccccc3C)cc2)C[C@@H]1c1ccco1 ZINC000328597622 569318120 /nfs/dbraw/zinc/31/81/20/569318120.db2.gz IDAYERDFNCPPGL-HXUWFJFHSA-N 0 0 437.521 4.477 50 0 IIAARN C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000078985880 569321256 /nfs/dbraw/zinc/32/12/56/569321256.db2.gz PNEWYAPDZCSALU-QGZVFWFLSA-N 0 0 437.544 4.115 50 0 IIAARN CC(=O)N(c1nc(CN2CCOc3cc(Br)c(Cl)cc32)cs1)C1CC1 ZINC000079014205 569321945 /nfs/dbraw/zinc/32/19/45/569321945.db2.gz SVJPIHICGKQEDP-UHFFFAOYSA-N 0 0 442.766 4.473 50 0 IIAARN Cc1ccc(NC(=O)CNc2cccc(CS(=O)(=O)C(C)C)c2)c(Br)c1 ZINC000079027654 569322968 /nfs/dbraw/zinc/32/29/68/569322968.db2.gz QEHFPKIJLUIVGC-UHFFFAOYSA-N 0 0 439.375 4.131 50 0 IIAARN O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN([C@H]2CCSC2)CC1 ZINC000079045184 569323143 /nfs/dbraw/zinc/32/31/43/569323143.db2.gz QIUXMSCJUGRREC-SFHVURJKSA-N 0 0 438.622 4.119 50 0 IIAARN CNC(=O)c1cc(Oc2cccc(OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2C)ccn1 ZINC000079048300 569323173 /nfs/dbraw/zinc/32/31/73/569323173.db2.gz YSRNEOFWHJKSSW-UHFFFAOYSA-N 0 0 449.551 4.006 50 0 IIAARN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000079048966 569323199 /nfs/dbraw/zinc/32/31/99/569323199.db2.gz PRINMQRMXFCPQU-FQEVSTJZSA-N 0 0 427.508 4.492 50 0 IIAARN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000079048976 569323215 /nfs/dbraw/zinc/32/32/15/569323215.db2.gz PRINMQRMXFCPQU-HXUWFJFHSA-N 0 0 427.508 4.492 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1Cn1cccn1 ZINC000079096427 569325396 /nfs/dbraw/zinc/32/53/96/569325396.db2.gz WFNOEVFVUVINDR-HNNXBMFYSA-N 0 0 435.915 4.475 50 0 IIAARN COc1ccc(C2(CNC(=O)c3cn(CC(C)C)c(=O)c4ccccc34)CCOCC2)cc1 ZINC000079189573 569327930 /nfs/dbraw/zinc/32/79/30/569327930.db2.gz ADOJMLLSUWSHLY-UHFFFAOYSA-N 0 0 448.563 4.144 50 0 biogenic IIAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)cc1OC ZINC000019796621 569329552 /nfs/dbraw/zinc/32/95/52/569329552.db2.gz TXOWVJFVZJWLDC-NSHDSACASA-N 0 0 439.493 4.107 50 0 IIAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccc(F)cc4)c32)c(OC)c1OC ZINC000079491755 569331257 /nfs/dbraw/zinc/33/12/57/569331257.db2.gz GTMGDDBSGANBRB-HXUWFJFHSA-N 0 0 429.473 4.461 50 0 IIAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020132894 569335409 /nfs/dbraw/zinc/33/54/09/569335409.db2.gz BMQBVKNTHQFVEA-MSOLQXFVSA-N 0 0 443.327 4.049 50 0 IIAARN COc1ccc(C(F)(F)F)cc1NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390828927 569354005 /nfs/dbraw/zinc/35/40/05/569354005.db2.gz VKELSHCFZVBRDG-UHFFFAOYSA-N 0 0 428.414 4.246 50 0 IIAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831106 569354297 /nfs/dbraw/zinc/35/42/97/569354297.db2.gz PQWSITBUUDFEJT-HSZRJFAPSA-N 0 0 437.536 4.346 50 0 IIAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000020179836 569354971 /nfs/dbraw/zinc/35/49/71/569354971.db2.gz ZZHLDONFSJJKFQ-BCUAHEQISA-N 0 0 428.941 4.358 50 0 IIAARN CCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(OC)c(OC)c1)S2 ZINC000020180266 569355030 /nfs/dbraw/zinc/35/50/30/569355030.db2.gz CFIXIRXYDZQIDY-BKUYFWCQSA-N 0 0 426.538 4.343 50 0 IIAARN CCOC(=O)C1=C(CN(CC)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214558 569356530 /nfs/dbraw/zinc/35/65/30/569356530.db2.gz JLBLATKBONRCTH-HSZRJFAPSA-N 0 0 437.540 4.171 50 0 IIAARN CCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000020241811 569358072 /nfs/dbraw/zinc/35/80/72/569358072.db2.gz WJDHSTCIWIRBIL-UHFFFAOYSA-N 0 0 426.538 4.383 50 0 IIAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O)N1CCCC1 ZINC000020242336 569358169 /nfs/dbraw/zinc/35/81/69/569358169.db2.gz DMPHZHAPVQFRGY-YTTGMZPUSA-N 0 0 448.519 4.389 50 0 IIAARN COC1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000095350263 569361775 /nfs/dbraw/zinc/36/17/75/569361775.db2.gz XUZIZKISWRSCFN-UHFFFAOYSA-N 0 0 435.293 4.092 50 0 IIAARN O=C(Nc1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000020366021 569362157 /nfs/dbraw/zinc/36/21/57/569362157.db2.gz XYIJXADWWPCKJX-UHFFFAOYSA-N 0 0 427.736 4.174 50 0 IIAARN Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3I)cc2F)n1 ZINC000095364841 569362429 /nfs/dbraw/zinc/36/24/29/569362429.db2.gz WBCVPKUOZPJMOW-UHFFFAOYSA-N 0 0 435.240 4.485 50 0 IIAARN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000095373498 569362860 /nfs/dbraw/zinc/36/28/60/569362860.db2.gz OEGGANLWJUCPMZ-UHFFFAOYSA-N 0 0 427.291 4.192 50 0 IIAARN Cn1c(C(=O)N2CCC(C(=O)NCc3cccc(F)c3)CC2)cc2oc3ccccc3c21 ZINC000020386387 569363177 /nfs/dbraw/zinc/36/31/77/569363177.db2.gz CIXUGVGRRSWZAE-UHFFFAOYSA-N 0 0 433.483 4.232 50 0 IIAARN O=C(Cn1c(SCc2cccc(F)c2)nc2cccnc21)Nc1ccc2c(c1)OCO2 ZINC000020389378 569363366 /nfs/dbraw/zinc/36/33/66/569363366.db2.gz ZYMCYHKFQUVIIZ-UHFFFAOYSA-N 0 0 436.468 4.230 50 0 IIAARN O=C(N[C@H](CCCO)c1ccccc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095445700 569367341 /nfs/dbraw/zinc/36/73/41/569367341.db2.gz HOMIOULBUQYFAD-RUZDIDTESA-N 0 0 430.548 4.322 50 0 IIAARN O=C(c1cnoc1-c1ccccc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000095451430 569367865 /nfs/dbraw/zinc/36/78/65/569367865.db2.gz GDPNUIHNABQGBZ-UHFFFAOYSA-N 0 0 430.291 4.247 50 0 IIAARN CCOc1ccccc1-c1cccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 ZINC000095459239 569369324 /nfs/dbraw/zinc/36/93/24/569369324.db2.gz UAWPNPXORWZOJD-UHFFFAOYSA-N 0 0 434.458 4.283 50 0 IIAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000095463257 569370262 /nfs/dbraw/zinc/37/02/62/569370262.db2.gz RLNNPKBRFOJMEK-IBGZPJMESA-N 0 0 433.552 4.467 50 0 IIAARN O=C(CS(=O)(=O)CCCc1ccccc1)N(Cc1ccc(O)cc1)C1CCCCC1 ZINC000095465460 569370830 /nfs/dbraw/zinc/37/08/30/569370830.db2.gz LLADZUFVSOIIDW-UHFFFAOYSA-N 0 0 429.582 4.101 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C(=O)NC1CCCCCCC1)C(C)C)CC2 ZINC000095471244 569371894 /nfs/dbraw/zinc/37/18/94/569371894.db2.gz QVDHCANPWDASRU-HSZRJFAPSA-N 0 0 445.604 4.025 50 0 IIAARN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1Br ZINC000095471618 569372033 /nfs/dbraw/zinc/37/20/33/569372033.db2.gz GGRAIFFUPIMCNA-UHFFFAOYSA-N 0 0 437.091 4.192 50 0 IIAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(F)c4)c32)c(OC)c1OC ZINC000095473026 569372267 /nfs/dbraw/zinc/37/22/67/569372267.db2.gz WEYHCZKSMUNSFR-FQEVSTJZSA-N 0 0 429.473 4.461 50 0 IIAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4cccc(F)c4)c32)c(OC)c1OC ZINC000095473025 569372299 /nfs/dbraw/zinc/37/22/99/569372299.db2.gz WEYHCZKSMUNSFR-HXUWFJFHSA-N 0 0 429.473 4.461 50 0 IIAARN Cc1cc(=O)oc2cc(NC(=S)N3CCN(Cc4ccccc4Cl)CC3)ccc12 ZINC000095483509 569374410 /nfs/dbraw/zinc/37/44/10/569374410.db2.gz QOOLJUNSGNSDHC-UHFFFAOYSA-N 0 0 427.957 4.269 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)S1 ZINC000020896122 569375147 /nfs/dbraw/zinc/37/51/47/569375147.db2.gz CLTFMDPMZONDQK-SFHVURJKSA-N 0 0 448.342 4.029 50 0 IIAARN Cc1ccnc(-c2ccc(NC(=O)C[S@](=O)Cc3ccc(Br)cc3)cc2)n1 ZINC000095973390 569377521 /nfs/dbraw/zinc/37/75/21/569377521.db2.gz TVZVJYCNMLUZBA-MHZLTWQESA-N 0 0 444.354 4.102 50 0 IIAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)cc1 ZINC000096114172 569382668 /nfs/dbraw/zinc/38/26/68/569382668.db2.gz BGOSAFQUSLTLCB-OFNKIYASSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096114520 569382895 /nfs/dbraw/zinc/38/28/95/569382895.db2.gz INGAYPRUHFPLLW-MRXNPFEDSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN O=C(CCCCCNC(=O)c1cnccn1)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096118085 569384379 /nfs/dbraw/zinc/38/43/79/569384379.db2.gz BWCIMKOZOJBNJJ-IBGZPJMESA-N 0 0 439.947 4.095 50 0 IIAARN O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096122548 569385232 /nfs/dbraw/zinc/38/52/32/569385232.db2.gz RIWGWABFVACCMG-IBGZPJMESA-N 0 0 444.457 4.164 50 0 IIAARN COCCn1c2cnccc2nc1[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000096125432 569385704 /nfs/dbraw/zinc/38/57/04/569385704.db2.gz CRFBDNDFIYTLDV-AWEZNQCLSA-N 0 0 433.434 4.118 50 0 IIAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096221489 569386931 /nfs/dbraw/zinc/38/69/31/569386931.db2.gz JDSGJOVPCIBIMM-KRWDZBQOSA-N 0 0 428.396 4.335 50 0 biogenic IIAARN CN1c2cccnc2Sc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2C1=O ZINC000096231126 569387498 /nfs/dbraw/zinc/38/74/98/569387498.db2.gz ZWZUCMBSRIZDOH-WEVVVXLNSA-N 0 0 431.473 4.203 50 0 IIAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)S(=O)(=O)c3ccccc3)n2)cc1 ZINC000096277461 569388777 /nfs/dbraw/zinc/38/87/77/569388777.db2.gz JWRXJDBZPQHCDI-UHFFFAOYSA-N 0 0 433.533 4.479 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1cccc(F)c1 ZINC000096281156 569389813 /nfs/dbraw/zinc/38/98/13/569389813.db2.gz NMRSTFDTOKKFJS-VWNXMTODSA-N 0 0 426.532 4.392 50 0 IIAARN Cc1nnc(SCc2ccccc2C(=O)NCc2ccncc2)n1Cc1ccccc1 ZINC000096290405 569390899 /nfs/dbraw/zinc/39/08/99/569390899.db2.gz IIKWNNRLGKLUKQ-UHFFFAOYSA-N 0 0 429.549 4.252 50 0 IIAARN Cc1nc(CC(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000096316985 569393041 /nfs/dbraw/zinc/39/30/41/569393041.db2.gz UELFKXIRKWFGLE-UHFFFAOYSA-N 0 0 426.580 4.408 50 0 IIAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096318400 569393878 /nfs/dbraw/zinc/39/38/78/569393878.db2.gz CZBWZJZDIQURLJ-UHFFFAOYSA-N 0 0 444.457 4.258 50 0 IIAARN CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)OCC ZINC000096318926 569393920 /nfs/dbraw/zinc/39/39/20/569393920.db2.gz LEGKIGBWNUYUBR-HLLBOEOZSA-N 0 0 449.594 4.083 50 0 IIAARN O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000096322277 569394447 /nfs/dbraw/zinc/39/44/47/569394447.db2.gz QRZZKLMNBVOQOB-UHFFFAOYSA-N 0 0 439.809 4.193 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000096322207 569394457 /nfs/dbraw/zinc/39/44/57/569394457.db2.gz UMTYIMJIJHRACM-UHFFFAOYSA-N 0 0 438.322 4.500 50 0 IIAARN CN(Cc1ccccc1)C(=O)CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 ZINC000096322323 569394593 /nfs/dbraw/zinc/39/45/93/569394593.db2.gz KDQICLYIEJXXGP-UHFFFAOYSA-N 0 0 444.926 4.289 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c1 ZINC000096323893 569395626 /nfs/dbraw/zinc/39/56/26/569395626.db2.gz NGHVUMUFASYTRS-UHFFFAOYSA-N 0 0 435.509 4.065 50 0 IIAARN COc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c(OC)c1 ZINC000096323906 569395635 /nfs/dbraw/zinc/39/56/35/569395635.db2.gz RTOOZFPCAYWPPL-UHFFFAOYSA-N 0 0 435.509 4.065 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(F)c2)C12CCCCC2 ZINC000096344383 569397030 /nfs/dbraw/zinc/39/70/30/569397030.db2.gz CVALPXNQTWFQHB-HSZRJFAPSA-N 0 0 438.543 4.073 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CCc4nc5ccccc5[nH]4)ccc32)c1 ZINC000096358938 569397619 /nfs/dbraw/zinc/39/76/19/569397619.db2.gz WVFPMEOYOOHEOA-UHFFFAOYSA-N 0 0 438.531 4.323 50 0 IIAARN O=C(NCCc1csc([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)n1)C1CCC1 ZINC000096373262 569398066 /nfs/dbraw/zinc/39/80/66/569398066.db2.gz OADXCUPIAIXPGK-OAHLLOKOSA-N 0 0 449.979 4.414 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O=C(NCCCN1CCCC1=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000003427110 569450581 /nfs/dbraw/zinc/45/05/81/569450581.db2.gz WNZJGNNGSFQMGY-UHFFFAOYSA-N 0 0 425.579 4.331 50 0 IIAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000003430641 569450854 /nfs/dbraw/zinc/45/08/54/569450854.db2.gz DHZXJNQUQBJTKR-UHFFFAOYSA-N 0 0 444.491 4.462 50 0 IIAARN O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccc(OC(F)F)c1 ZINC000003433611 569450915 /nfs/dbraw/zinc/45/09/15/569450915.db2.gz WXPKKSDFHQKHMS-UHFFFAOYSA-N 0 0 440.402 4.199 50 0 IIAARN COc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl ZINC000003440085 569451177 /nfs/dbraw/zinc/45/11/77/569451177.db2.gz AYDRLOHMUSQIOW-UHFFFAOYSA-N 0 0 448.903 4.470 50 0 IIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003442628 569451288 /nfs/dbraw/zinc/45/12/88/569451288.db2.gz JOPWVEISPLWSNH-CQSZACIVSA-N 0 0 447.607 4.200 50 0 IIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003459095 569451858 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Cc1cccc(NC(=O)CSc2ccc(N3CCN(c4cccc(C)c4)CC3)nn2)c1 ZINC000038487672 569462955 /nfs/dbraw/zinc/46/29/55/569462955.db2.gz GRQIKXKXTSNHAZ-UHFFFAOYSA-N 0 0 433.581 4.151 50 0 IIAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccnc2)N2CCN(C)CC2)c1C ZINC000038546745 569463663 /nfs/dbraw/zinc/46/36/63/569463663.db2.gz ZIHKAIHSFFLWTO-FQEVSTJZSA-N 0 0 426.611 4.411 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc(OCC)c1OCC ZINC000067197584 569464430 /nfs/dbraw/zinc/46/44/30/569464430.db2.gz BFUHHUPGRULDHI-UHFFFAOYSA-N 0 0 449.931 4.052 50 0 IIAARN CCN(C(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)c1cccc(C)c1 ZINC000067208380 569464696 /nfs/dbraw/zinc/46/46/96/569464696.db2.gz QIGGJJBVZXRZJJ-UHFFFAOYSA-N 0 0 437.503 4.073 50 0 IIAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc(C)cc2Cl)c3=O)c1 ZINC000067235542 569465348 /nfs/dbraw/zinc/46/53/48/569465348.db2.gz PESNDZKCPZRYBH-UHFFFAOYSA-N 0 0 436.899 4.011 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000067237346 569465466 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IIAARN CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 ZINC000067289531 569467500 /nfs/dbraw/zinc/46/75/00/569467500.db2.gz GEIWMUTVINRSOS-UHFFFAOYSA-N 0 0 432.505 4.234 50 0 IIAARN COc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc(OC)c1 ZINC000067294266 569467857 /nfs/dbraw/zinc/46/78/57/569467857.db2.gz XVCZIDUBHFYYQI-LCUIJRPUSA-N 0 0 431.448 4.344 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298743 569468076 /nfs/dbraw/zinc/46/80/76/569468076.db2.gz DZWUQZGYSWQAIK-BZIHZDCZSA-N 0 0 448.397 4.178 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298713 569468116 /nfs/dbraw/zinc/46/81/16/569468116.db2.gz BUDWTNDGQPXTMT-IDICYNCBSA-N 0 0 432.398 4.298 50 0 IIAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cc(F)ccc1Cl ZINC000067318797 569468498 /nfs/dbraw/zinc/46/84/98/569468498.db2.gz OVFARUXQYCZSBS-UHFFFAOYSA-N 0 0 441.890 4.059 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319541 569468520 /nfs/dbraw/zinc/46/85/20/569468520.db2.gz BMYYMJMNRBLTNC-QGZVFWFLSA-N 0 0 432.549 4.300 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)N[C@H](C)CCc3ccccc3)c2c(=O)n1CC(C)C ZINC000067320007 569468561 /nfs/dbraw/zinc/46/85/61/569468561.db2.gz LLNQXQGONPKKPL-QGZVFWFLSA-N 0 0 440.613 4.022 50 0 IIAARN CSc1cccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 ZINC000067319984 569468569 /nfs/dbraw/zinc/46/85/69/569468569.db2.gz DWUQCHQNUJUYDZ-UHFFFAOYSA-N 0 0 430.599 4.245 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067319761 569468581 /nfs/dbraw/zinc/46/85/81/569468581.db2.gz QSYXUBCGYRLXGL-HNNXBMFYSA-N 0 0 436.512 4.131 50 0 IIAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000067323403 569468799 /nfs/dbraw/zinc/46/87/99/569468799.db2.gz CPUTVWHOHYJDEU-UHFFFAOYSA-N 0 0 431.418 4.059 50 0 IIAARN COc1ccc(Cl)cc1-n1nnc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)c1C ZINC000067341731 569469032 /nfs/dbraw/zinc/46/90/32/569469032.db2.gz LXGVVOLTVPJKPY-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(cc(Cl)cc3C)s2)c(C)o1 ZINC000038837506 569469208 /nfs/dbraw/zinc/46/92/08/569469208.db2.gz RPXWXEGYCYGICX-UHFFFAOYSA-N 0 0 433.961 4.447 50 0 IIAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc3ccccc32)Oc2ccc(Cl)cc21 ZINC000038834099 569469213 /nfs/dbraw/zinc/46/92/13/569469213.db2.gz VGFNJCNGIIQZNA-FQEVSTJZSA-N 0 0 430.913 4.049 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)ccc1F ZINC000008608920 569469412 /nfs/dbraw/zinc/46/94/12/569469412.db2.gz HSSHZFGZSCECAM-IBGZPJMESA-N 0 0 439.480 4.419 50 0 IIAARN O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1 ZINC000008607839 569469393 /nfs/dbraw/zinc/46/93/93/569469393.db2.gz KPLBUENBEFJYOT-UHFFFAOYSA-N 0 0 439.880 4.019 50 0 IIAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000008705602 569470386 /nfs/dbraw/zinc/47/03/86/569470386.db2.gz ANKHVBGRJHIFFK-CYBMUJFWSA-N 0 0 425.495 4.189 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncc3ccccn32)cc1 ZINC000008706521 569470492 /nfs/dbraw/zinc/47/04/92/569470492.db2.gz DDOLZSXETXEQLU-UHFFFAOYSA-N 0 0 432.505 4.326 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000008709250 569470728 /nfs/dbraw/zinc/47/07/28/569470728.db2.gz XSFVXURUCKKCTA-HNNXBMFYSA-N 0 0 430.555 4.006 50 0 IIAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000008713186 569471080 /nfs/dbraw/zinc/47/10/80/569471080.db2.gz MKSSNPOSILNVMS-UHFFFAOYSA-N 0 0 449.532 4.377 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000008724829 569472111 /nfs/dbraw/zinc/47/21/11/569472111.db2.gz SIEFGSJXIFKXTD-UHFFFAOYSA-N 0 0 428.448 4.088 50 0 IIAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000008725266 569472146 /nfs/dbraw/zinc/47/21/46/569472146.db2.gz BBGPAXVWXDWHTK-UHFFFAOYSA-N 0 0 443.536 4.340 50 0 IIAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008727590 569472334 /nfs/dbraw/zinc/47/23/34/569472334.db2.gz PENOZQUQRVGQAM-UHFFFAOYSA-N 0 0 427.599 4.189 50 0 IIAARN CCCOC[C@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000008740422 569472873 /nfs/dbraw/zinc/47/28/73/569472873.db2.gz OJZZYARVTZJEFS-HVETUWLQSA-N 0 0 430.526 4.086 50 0 biogenic IIAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)n1C1CC1 ZINC000008746950 569473103 /nfs/dbraw/zinc/47/31/03/569473103.db2.gz XKFLSLFMUPAAEW-UHFFFAOYSA-N 0 0 425.480 4.271 50 0 IIAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000008775747 569475342 /nfs/dbraw/zinc/47/53/42/569475342.db2.gz HKKIHABPQHKNRT-XMMPIXPASA-N 0 0 425.488 4.229 50 0 IIAARN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000008783026 569475829 /nfs/dbraw/zinc/47/58/29/569475829.db2.gz FHSNDOVFDYSDFA-IBGZPJMESA-N 0 0 438.549 4.076 50 0 IIAARN CC1(C)CCc2c(cc(OCC(=O)Nc3cccnc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008792167 569476324 /nfs/dbraw/zinc/47/63/24/569476324.db2.gz LPRHEUNDBKLJCH-UHFFFAOYSA-N 0 0 434.492 4.188 50 0 biogenic IIAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000008811213 569476577 /nfs/dbraw/zinc/47/65/77/569476577.db2.gz SXPBXNVPPZHGOS-TWOQFEAHSA-N 0 0 432.586 4.470 50 0 IIAARN COC(=O)C1C(CSc2nc3cc(C)ccc3[nH]2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008816197 569476745 /nfs/dbraw/zinc/47/67/45/569476745.db2.gz MUDGESLWNVOZBT-HXUWFJFHSA-N 0 0 436.537 4.061 50 0 IIAARN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000008816581 569476753 /nfs/dbraw/zinc/47/67/53/569476753.db2.gz AFYFZWORWDBUSB-UHFFFAOYSA-N 0 0 439.375 4.286 50 0 IIAARN COc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845721 569478898 /nfs/dbraw/zinc/47/88/98/569478898.db2.gz CJJRLKPMBMCENQ-DEOSSOPVSA-N 0 0 426.476 4.240 50 0 IIAARN CC[C@@H](c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccccc1)N(C)C ZINC000008849973 569479312 /nfs/dbraw/zinc/47/93/12/569479312.db2.gz JVHSLIMXVYUKNH-QFIPXVFZSA-N 0 0 449.624 4.016 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 ZINC000008851389 569479398 /nfs/dbraw/zinc/47/93/98/569479398.db2.gz MXPAKCFFAJITRP-UHFFFAOYSA-N 0 0 433.599 4.264 50 0 IIAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000008855690 569479695 /nfs/dbraw/zinc/47/96/95/569479695.db2.gz DSGYGWZHGRQVNJ-UHFFFAOYSA-N 0 0 431.517 4.099 50 0 IIAARN Cc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1Cc1ccccc1 ZINC000008861187 569480005 /nfs/dbraw/zinc/48/00/05/569480005.db2.gz DSDTWZNTIOXBNX-UHFFFAOYSA-N 0 0 436.537 4.407 50 0 IIAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3nc(-c4ccccc4)no3)C2=O)cc1C ZINC000008861805 569480042 /nfs/dbraw/zinc/48/00/42/569480042.db2.gz ZDTQEWBXFWUFPO-SANMLTNESA-N 0 0 438.487 4.349 50 0 IIAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008862107 569480073 /nfs/dbraw/zinc/48/00/73/569480073.db2.gz LTEHSQPKSIXTIX-HNNXBMFYSA-N 0 0 430.551 4.026 50 0 IIAARN CCOc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869789 569480493 /nfs/dbraw/zinc/48/04/93/569480493.db2.gz HIGPADKYWMQYFN-OAQYLSRUSA-N 0 0 429.582 4.212 50 0 IIAARN COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCC4)nn3)s2)cc1 ZINC000008875791 569481058 /nfs/dbraw/zinc/48/10/58/569481058.db2.gz TXBAOCKFTMXGFZ-UHFFFAOYSA-N 0 0 426.567 4.299 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c1 ZINC000008879895 569481459 /nfs/dbraw/zinc/48/14/59/569481459.db2.gz CXHSBALBVBWKSN-UHFFFAOYSA-N 0 0 444.443 4.142 50 0 biogenic IIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000039620713 569481823 /nfs/dbraw/zinc/48/18/23/569481823.db2.gz ZTOUGLLKRWEXHB-KRWDZBQOSA-N 0 0 445.475 4.003 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCCCn2ccnc2)cc1 ZINC000039844667 569481974 /nfs/dbraw/zinc/48/19/74/569481974.db2.gz OSXZVUIXQNZDEM-UHFFFAOYSA-N 0 0 440.500 4.321 50 0 IIAARN CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cc2ccccc2oc1=O ZINC000039930031 569481996 /nfs/dbraw/zinc/48/19/96/569481996.db2.gz CBUFVCVURHDJJK-UHFFFAOYSA-N 0 0 437.249 4.175 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(-c3ccccc3)cc2)C1=O ZINC000039964463 569482106 /nfs/dbraw/zinc/48/21/06/569482106.db2.gz RMNXAZQULJBIIA-AREMUKBSSA-N 0 0 428.488 4.254 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000039975786 569482171 /nfs/dbraw/zinc/48/21/71/569482171.db2.gz RONCAOKZCUJUTP-UHFFFAOYSA-N 0 0 433.892 4.102 50 0 IIAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCN2C(=O)COc3ccccc32)s1 ZINC000039981929 569482239 /nfs/dbraw/zinc/48/22/39/569482239.db2.gz VBJXFCZZSUOSBL-UHFFFAOYSA-N 0 0 434.561 4.444 50 0 IIAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc(Cl)cc(Cl)c1 ZINC000008881432 569482893 /nfs/dbraw/zinc/48/28/93/569482893.db2.gz DEPFNYGWESPGFK-UHFFFAOYSA-N 0 0 428.069 4.121 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 ZINC000008884906 569483171 /nfs/dbraw/zinc/48/31/71/569483171.db2.gz BZCDPMVBZHAPLG-HKBQPEDESA-N 0 0 431.517 4.439 50 0 IIAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@H](C)C(=O)NC4CCCC4)cc3)ccc12 ZINC000008888310 569483282 /nfs/dbraw/zinc/48/32/82/569483282.db2.gz QJQQADCIMHNHNM-QGZVFWFLSA-N 0 0 449.503 4.285 50 0 IIAARN Cc1cc(CN2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)no1 ZINC000040043386 569483668 /nfs/dbraw/zinc/48/36/68/569483668.db2.gz GYFKPLAGMXOGJR-UHFFFAOYSA-N 0 0 428.492 4.263 50 0 IIAARN COC(=O)c1c(=O)n(CC(=O)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008899343 569484043 /nfs/dbraw/zinc/48/40/43/569484043.db2.gz KHNZACYYUNSPIW-UHFFFAOYSA-N 0 0 442.446 4.386 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)NC(=S)N1c1ccc(OC)c(OC)c1 ZINC000040050437 569484230 /nfs/dbraw/zinc/48/42/30/569484230.db2.gz LGXQDLWFVFWOGQ-OAQYLSRUSA-N 0 0 426.538 4.285 50 0 IIAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058306 569484664 /nfs/dbraw/zinc/48/46/64/569484664.db2.gz NEOOZSVWXVEXKB-GOSISDBHSA-N 0 0 449.580 4.224 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)s1 ZINC000008912648 569485065 /nfs/dbraw/zinc/48/50/65/569485065.db2.gz DQWZPQWKHVPNKS-KRWDZBQOSA-N 0 0 437.613 4.300 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 ZINC000040068648 569485144 /nfs/dbraw/zinc/48/51/44/569485144.db2.gz ZTQSWNSLBNHISY-INIZCTEOSA-N 0 0 425.554 4.420 50 0 IIAARN COCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913498 569485344 /nfs/dbraw/zinc/48/53/44/569485344.db2.gz CLOPWTBZWGOZEP-UHFFFAOYSA-N 0 0 432.549 4.148 50 0 IIAARN Cc1ccccc1[C@H](CC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1)NC(N)=O ZINC000040069641 569485386 /nfs/dbraw/zinc/48/53/86/569485386.db2.gz HNSTUDXQYUVLEX-SFHVURJKSA-N 0 0 428.945 4.434 50 0 IIAARN COc1ccc(-c2nc(P(=O)(OC)OC)c(NCCc3ccccc3)o2)cc1OC ZINC000008917033 569485903 /nfs/dbraw/zinc/48/59/03/569485903.db2.gz UGTYAXPPEGKDMJ-UHFFFAOYSA-N 0 0 432.413 4.125 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000008917460 569486062 /nfs/dbraw/zinc/48/60/62/569486062.db2.gz OTSPPFSHSKWZNS-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN COc1cc(C(=O)N[C@H](C(=O)N[C@@H](C)c2cc(C)sc2C)C(C)C)cc(OC)c1OC ZINC000040074244 569486234 /nfs/dbraw/zinc/48/62/34/569486234.db2.gz DAWUKJIRDWOLDR-XOBRGWDASA-N 0 0 448.585 4.023 50 0 IIAARN CCCCOc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc2c1C ZINC000008918503 569486265 /nfs/dbraw/zinc/48/62/65/569486265.db2.gz NHFAXISHLPUFFJ-SIBVEZHUSA-N 0 0 441.568 4.285 50 0 biogenic IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCC)c(OCC)c2)N3)C1 ZINC000008921437 569486774 /nfs/dbraw/zinc/48/67/74/569486774.db2.gz RBKAINODUHQGDB-IBGZPJMESA-N 0 0 445.541 4.489 50 0 IIAARN CCOc1ccc(CNC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1OC ZINC000040089404 569487083 /nfs/dbraw/zinc/48/70/83/569487083.db2.gz QEYQZBVYYZZNRI-UHFFFAOYSA-N 0 0 426.538 4.475 50 0 IIAARN O=C(NCc1cccnc1Oc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000040094250 569487468 /nfs/dbraw/zinc/48/74/68/569487468.db2.gz YSRHYAFMZVNVQO-UHFFFAOYSA-N 0 0 439.512 4.243 50 0 IIAARN CN(Cc1ccccc1)C(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008932997 569487722 /nfs/dbraw/zinc/48/77/22/569487722.db2.gz WXPQMPRMVOETHH-UHFFFAOYSA-N 0 0 436.515 4.058 50 0 IIAARN CC[C@@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933266 569487790 /nfs/dbraw/zinc/48/77/90/569487790.db2.gz DSDNOOLURQKJBA-LJQANCHMSA-N 0 0 430.552 4.239 50 0 IIAARN CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1 ZINC000008933479 569487808 /nfs/dbraw/zinc/48/78/08/569487808.db2.gz SQPGRPZPUYJQJR-UHFFFAOYSA-N 0 0 446.526 4.234 50 0 IIAARN CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)cc2Br)cc1F ZINC000040116455 569489236 /nfs/dbraw/zinc/48/92/36/569489236.db2.gz MBCIZISMESXLMA-UHFFFAOYSA-N 0 0 428.685 4.182 50 0 IIAARN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cc2ccccc2o1 ZINC000040115458 569489263 /nfs/dbraw/zinc/48/92/63/569489263.db2.gz XAYMRSGJXMNLNR-ZDUSSCGKSA-N 0 0 427.457 4.192 50 0 IIAARN Cc1sc2nc(S[C@H](C)c3nnnn3-c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000040127319 569489683 /nfs/dbraw/zinc/48/96/83/569489683.db2.gz NPYHICFCCDMHIN-CQSZACIVSA-N 0 0 426.571 4.485 50 0 IIAARN CC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)cc1F ZINC000040127543 569489692 /nfs/dbraw/zinc/48/96/92/569489692.db2.gz YPYLGXUGKWINCK-UHFFFAOYSA-N 0 0 425.529 4.282 50 0 IIAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1nnnn1-c1ccccc1 ZINC000040122976 569489705 /nfs/dbraw/zinc/48/97/05/569489705.db2.gz RJLRUVNPGIJVME-CYBMUJFWSA-N 0 0 426.933 4.289 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2)c2sc(C)nc2c1=O ZINC000008955072 569490121 /nfs/dbraw/zinc/49/01/21/569490121.db2.gz GPWMBRDQVYUIIH-UHFFFAOYSA-N 0 0 440.912 4.129 50 0 IIAARN CCCN1c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC(C)(C)C1=O ZINC000008958834 569490200 /nfs/dbraw/zinc/49/02/00/569490200.db2.gz LQIGWIADUXPYEQ-UHFFFAOYSA-N 0 0 442.512 4.126 50 0 IIAARN CCc1ccc(-c2nn(CC(=O)Nc3ccc(OC)cc3)c(=O)c3nc(C)sc32)cc1 ZINC000008956092 569490225 /nfs/dbraw/zinc/49/02/25/569490225.db2.gz PXSONVCKKJYZMB-UHFFFAOYSA-N 0 0 434.521 4.038 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000008959125 569490313 /nfs/dbraw/zinc/49/03/13/569490313.db2.gz YLWGABJRSIXOKF-UHFFFAOYSA-N 0 0 426.513 4.120 50 0 IIAARN CCCN1c2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000008959711 569490351 /nfs/dbraw/zinc/49/03/51/569490351.db2.gz HKUKLVUJZVOSGD-UHFFFAOYSA-N 0 0 426.513 4.047 50 0 IIAARN O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)Nc1ccccc1Cn1cccn1 ZINC000040133751 569490470 /nfs/dbraw/zinc/49/04/70/569490470.db2.gz PPFQOJGMLIWRER-UHFFFAOYSA-N 0 0 427.508 4.101 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cc1 ZINC000040134167 569490509 /nfs/dbraw/zinc/49/05/09/569490509.db2.gz CTGIPHGORJGBSJ-UHFFFAOYSA-N 0 0 426.563 4.108 50 0 IIAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)Cc3ccccc3F)ccc1O2 ZINC000008961522 569491039 /nfs/dbraw/zinc/49/10/39/569491039.db2.gz IJCJBVDTERIZFS-UHFFFAOYSA-N 0 0 426.469 4.458 50 0 IIAARN COc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000008966353 569491764 /nfs/dbraw/zinc/49/17/64/569491764.db2.gz WEFSQMSUGISMGV-GJZGRUSLSA-N 0 0 428.533 4.401 50 0 IIAARN CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)ccc21 ZINC000040145901 569492218 /nfs/dbraw/zinc/49/22/18/569492218.db2.gz XIEHNEQHRCOSLL-HSZRJFAPSA-N 0 0 434.561 4.113 50 0 IIAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000040148930 569492400 /nfs/dbraw/zinc/49/24/00/569492400.db2.gz BGGMSHOSOGALSM-UHFFFAOYSA-N 0 0 430.917 4.251 50 0 IIAARN Cc1cccnc1NC(=O)C1CCN(C(=O)CSc2ccc(Br)cc2)CC1 ZINC000040147006 569492401 /nfs/dbraw/zinc/49/24/01/569492401.db2.gz RIYWQILJLNCOIK-UHFFFAOYSA-N 0 0 448.386 4.122 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c(C)c1 ZINC000008977315 569493014 /nfs/dbraw/zinc/49/30/14/569493014.db2.gz YFFIKCFZDMFVKZ-UHFFFAOYSA-N 0 0 442.562 4.064 50 0 IIAARN COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 ZINC000040157636 569494336 /nfs/dbraw/zinc/49/43/36/569494336.db2.gz BTDMXUGZHRAEPH-UHFFFAOYSA-N 0 0 434.540 4.403 50 0 IIAARN CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2=O)cc1 ZINC000008982537 569494498 /nfs/dbraw/zinc/49/44/98/569494498.db2.gz OHKFZWJVJQUBGF-OXJNMPFZSA-N 0 0 435.549 4.412 50 0 IIAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000008985455 569494752 /nfs/dbraw/zinc/49/47/52/569494752.db2.gz NQQKLGHFUOTPNY-MRXNPFEDSA-N 0 0 437.565 4.457 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000040159847 569494764 /nfs/dbraw/zinc/49/47/64/569494764.db2.gz WXEBXYLOWNUBNL-IBGZPJMESA-N 0 0 437.392 4.430 50 0 IIAARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000008986047 569494817 /nfs/dbraw/zinc/49/48/17/569494817.db2.gz MYXDERAMYKUQKN-UHFFFAOYSA-N 0 0 441.896 4.212 50 0 IIAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000008992512 569495372 /nfs/dbraw/zinc/49/53/72/569495372.db2.gz DUXJMUYKHCACMO-UHFFFAOYSA-N 0 0 441.483 4.432 50 0 biogenic IIAARN COc1cc2cc([C@H]3CC(c4ccccc4)=NN3S(C)(=O)=O)c(Cl)nc2cc1OC ZINC000009019118 569496834 /nfs/dbraw/zinc/49/68/34/569496834.db2.gz UIEINOPWLNPSFI-GOSISDBHSA-N 0 0 445.928 4.016 50 0 IIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3C(=O)N2C)cc1 ZINC000040266158 569497122 /nfs/dbraw/zinc/49/71/22/569497122.db2.gz DSFQINVELSFCKY-BJKOFHAPSA-N 0 0 443.503 4.203 50 0 IIAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl ZINC000040266826 569497278 /nfs/dbraw/zinc/49/72/78/569497278.db2.gz GYZHSRZZRYPDCV-LJQANCHMSA-N 0 0 439.343 4.107 50 0 IIAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)nc3)no2)cc(OC)c1OC ZINC000040267766 569497429 /nfs/dbraw/zinc/49/74/29/569497429.db2.gz MOPONYKYGGYCSB-UHFFFAOYSA-N 0 0 446.463 4.385 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000009043008 569497879 /nfs/dbraw/zinc/49/78/79/569497879.db2.gz WODMSIIIJSMFJK-UHFFFAOYSA-N 0 0 430.430 4.255 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(F)c(Cl)c2)c1 ZINC000040284973 569497956 /nfs/dbraw/zinc/49/79/56/569497956.db2.gz WTDKFAVAIVUUKC-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN COc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1 ZINC000009049290 569498539 /nfs/dbraw/zinc/49/85/39/569498539.db2.gz DVQCLCMIPBLEDM-LJQANCHMSA-N 0 0 426.944 4.392 50 0 IIAARN O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000009051057 569498707 /nfs/dbraw/zinc/49/87/07/569498707.db2.gz SLYRRMPOHVIGNV-IBGZPJMESA-N 0 0 445.869 4.332 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1C ZINC000009053819 569498853 /nfs/dbraw/zinc/49/88/53/569498853.db2.gz XXIAQIFOGFHKIH-HNNXBMFYSA-N 0 0 444.582 4.308 50 0 IIAARN CCCC[C@@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450333 569506278 /nfs/dbraw/zinc/50/62/78/569506278.db2.gz ZYEKUXZJDLAOKA-CQSZACIVSA-N 0 0 445.423 4.243 50 0 IIAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000009056461 569499039 /nfs/dbraw/zinc/49/90/39/569499039.db2.gz NAZWKYOGCDNWEQ-UHFFFAOYSA-N 0 0 437.525 4.133 50 0 IIAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4s3)cc1)C2=O ZINC000009056622 569499112 /nfs/dbraw/zinc/49/91/12/569499112.db2.gz UKDRQTAQYZZASF-IZHWHUGBSA-N 0 0 448.548 4.403 50 0 IIAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000009058783 569499268 /nfs/dbraw/zinc/49/92/68/569499268.db2.gz PWNYKSVDZNHJDY-YJBOKZPZSA-N 0 0 439.682 4.446 50 0 biogenic IIAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)[C@H]1C ZINC000245228444 569499752 /nfs/dbraw/zinc/49/97/52/569499752.db2.gz YKQAVFHYPCAIKJ-QWQRMKEZSA-N 0 0 447.428 4.335 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071560 569500071 /nfs/dbraw/zinc/50/00/71/569500071.db2.gz VASCCCQWPSZAOG-UHFFFAOYSA-N 0 0 441.487 4.169 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000245239902 569500607 /nfs/dbraw/zinc/50/06/07/569500607.db2.gz NCLIRRQHNCNRRI-AGTLBBOYSA-N 0 0 449.551 4.353 50 0 IIAARN CCn1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccc(F)cc2)c(C)c1C(=O)OC ZINC000040399586 569501284 /nfs/dbraw/zinc/50/12/84/569501284.db2.gz GAYQQHGOBSRMMO-UHFFFAOYSA-N 0 0 430.520 4.422 50 0 IIAARN O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000069350624 569501752 /nfs/dbraw/zinc/50/17/52/569501752.db2.gz JSGBEPZRSDQAKZ-UHFFFAOYSA-N 0 0 429.851 4.082 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)cc1 ZINC000040413226 569502205 /nfs/dbraw/zinc/50/22/05/569502205.db2.gz FAYJBFXMSAUDAR-UHFFFAOYSA-N 0 0 434.927 4.258 50 0 IIAARN COc1cccc(N=c2scc(-c3ccc4c(c3)CC(=O)N4)n2Cc2ccccn2)c1 ZINC000245284026 569502213 /nfs/dbraw/zinc/50/22/13/569502213.db2.gz PURHVEHTBBZILO-UHFFFAOYSA-N 0 0 428.517 4.396 50 0 IIAARN CCc1ccc(S(=O)(=O)c2cn(CC)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 ZINC000009119202 569503467 /nfs/dbraw/zinc/50/34/67/569503467.db2.gz RZQXOVYGBBLFHD-UHFFFAOYSA-N 0 0 428.529 4.156 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NCc1nc(-c2ccccc2)no1 ZINC000009119087 569503486 /nfs/dbraw/zinc/50/34/86/569503486.db2.gz YRJQYXLPXJTKSN-UHFFFAOYSA-N 0 0 428.448 4.007 50 0 IIAARN CC(=O)Nc1ccc2c(COC(=O)Cc3coc4cc5c(cc34)CCC5)cc(=O)oc2c1 ZINC000009120413 569503926 /nfs/dbraw/zinc/50/39/26/569503926.db2.gz GHKVYJYHTLUQNN-UHFFFAOYSA-N 0 0 431.444 4.272 50 0 IIAARN CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000245330063 569504101 /nfs/dbraw/zinc/50/41/01/569504101.db2.gz WUMWIJAUPGVCBR-NJNPRVFISA-N 0 0 448.604 4.121 50 0 IIAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009124575 569504377 /nfs/dbraw/zinc/50/43/77/569504377.db2.gz IHAHIXZZETVSLJ-JOCHJYFZSA-N 0 0 425.916 4.405 50 0 IIAARN Cc1ccc(-n2c(CCC(=O)Nc3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 ZINC000009124831 569504454 /nfs/dbraw/zinc/50/44/54/569504454.db2.gz LEAXHPCRZUXALW-UHFFFAOYSA-N 0 0 441.487 4.037 50 0 IIAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000009126289 569504866 /nfs/dbraw/zinc/50/48/66/569504866.db2.gz CLYRHCUHQNXTNP-UHFFFAOYSA-N 0 0 435.851 4.123 50 0 IIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009128857 569505567 /nfs/dbraw/zinc/50/55/67/569505567.db2.gz AAVWPEDQWJESNS-DEOSSOPVSA-N 0 0 434.561 4.459 50 0 IIAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(CC(C)C)CC(C)C)cc21 ZINC000040450374 569506233 /nfs/dbraw/zinc/50/62/33/569506233.db2.gz MQRFPCVAJXDXKH-UHFFFAOYSA-N 0 0 445.423 4.051 50 0 IIAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000040478442 569506705 /nfs/dbraw/zinc/50/67/05/569506705.db2.gz XZAQMUKPCBFZIH-UHFFFAOYSA-N 0 0 447.922 4.120 50 0 IIAARN COc1ccc([C@H]2C(C(=O)Nc3cc(Cl)ccc3C)=C(C)Nc3ncnn32)cc1OC ZINC000040484516 569506766 /nfs/dbraw/zinc/50/67/66/569506766.db2.gz VIBVIQVPQIVQTE-FQEVSTJZSA-N 0 0 439.903 4.185 50 0 IIAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccncc1)cc2=O)Nc1ccccc1Cl ZINC000040484431 569506774 /nfs/dbraw/zinc/50/67/74/569506774.db2.gz BZBBPLIZKIGPKY-UHFFFAOYSA-N 0 0 429.867 4.003 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)c1 ZINC000009131645 569506938 /nfs/dbraw/zinc/50/69/38/569506938.db2.gz JODVSWZYGOGJJQ-OAHLLOKOSA-N 0 0 441.484 4.220 50 0 IIAARN COc1cc(OC)c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000009139241 569507234 /nfs/dbraw/zinc/50/72/34/569507234.db2.gz MGVVHAYBMMBZCQ-UHFFFAOYSA-N 0 0 449.503 4.098 50 0 IIAARN CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151141 569507443 /nfs/dbraw/zinc/50/74/43/569507443.db2.gz XQNPKWUVALCPOS-UHFFFAOYSA-N 0 0 434.334 4.396 50 0 IIAARN Cc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1ccc(F)cc1)n2C ZINC000009153667 569508127 /nfs/dbraw/zinc/50/81/27/569508127.db2.gz MEJZXQMBFQVXBX-UHFFFAOYSA-N 0 0 427.479 4.199 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1Cc1ccccc1F)n2C ZINC000009153686 569508154 /nfs/dbraw/zinc/50/81/54/569508154.db2.gz AOONCOHSCAWSEM-UHFFFAOYSA-N 0 0 443.478 4.149 50 0 IIAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1cccc(Cl)c1)n2C ZINC000009153785 569508191 /nfs/dbraw/zinc/50/81/91/569508191.db2.gz GIGKIGXMSADCGO-UHFFFAOYSA-N 0 0 445.906 4.354 50 0 IIAARN O=C(COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)Nc1ccc(F)cc1 ZINC000009165388 569508795 /nfs/dbraw/zinc/50/87/95/569508795.db2.gz YCOLVSTWHJKLCU-UHFFFAOYSA-N 0 0 440.496 4.186 50 0 IIAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 ZINC000009167837 569509084 /nfs/dbraw/zinc/50/90/84/569509084.db2.gz KYQJQVSWJLSNTB-UHFFFAOYSA-N 0 0 446.569 4.438 50 0 IIAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C ZINC000009170853 569509416 /nfs/dbraw/zinc/50/94/16/569509416.db2.gz BUMNHQWFJMBEKZ-UHFFFAOYSA-N 0 0 446.569 4.356 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O ZINC000009172544 569509551 /nfs/dbraw/zinc/50/95/51/569509551.db2.gz MPZFVWCTERNPTA-OAQYLSRUSA-N 0 0 435.858 4.194 50 0 IIAARN COCCn1c(SCC(=O)NCCC(C)C)nc2sc(-c3ccccc3)cc2c1=O ZINC000009175434 569509702 /nfs/dbraw/zinc/50/97/02/569509702.db2.gz XALLBBHFWLSQQJ-UHFFFAOYSA-N 0 0 445.610 4.026 50 0 IIAARN COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c1 ZINC000009190695 569510579 /nfs/dbraw/zinc/51/05/79/569510579.db2.gz WOFJZKQNYYMPLS-XMMPIXPASA-N 0 0 439.870 4.495 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1OC ZINC000009193091 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CCOc1ccc(CCNC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000009408528 569530651 /nfs/dbraw/zinc/53/06/51/569530651.db2.gz NIYIKNMIOJAHEG-UHFFFAOYSA-N 0 0 428.536 4.313 50 0 IIAARN CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000009409208 569530942 /nfs/dbraw/zinc/53/09/42/569530942.db2.gz IGHRJCNECFGURO-DEOSSOPVSA-N 0 0 435.524 4.279 50 0 IIAARN COc1cc2oc(=O)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(C)c2cc1Cl ZINC000009410501 569531375 /nfs/dbraw/zinc/53/13/75/569531375.db2.gz IVEDBTBDONBIFD-UHFFFAOYSA-N 0 0 442.874 4.285 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)C[S@](=O)C3)cc1 ZINC000009413257 569531717 /nfs/dbraw/zinc/53/17/17/569531717.db2.gz PCRNWOFBDDHMIU-WJOKGBTCSA-N 0 0 431.517 4.114 50 0 IIAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@@](=O)C3)cc1 ZINC000009413695 569531803 /nfs/dbraw/zinc/53/18/03/569531803.db2.gz WWUGYOWYXQCCCR-NDEPHWFRSA-N 0 0 436.320 4.202 50 0 IIAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)Nc1ccc(F)cc1F ZINC000009414863 569532053 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O=C(CSc1nnc(Nc2ccc(F)cc2)s1)Nc1ccc2c(c1)OCCCO2 ZINC000009476819 569539072 /nfs/dbraw/zinc/53/90/72/569539072.db2.gz HGUOTKHIIWDDDD-UHFFFAOYSA-N 0 0 432.502 4.313 50 0 IIAARN COc1cccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000009477303 569539206 /nfs/dbraw/zinc/53/92/06/569539206.db2.gz UFFKGHFHSZYKJZ-OAQYLSRUSA-N 0 0 436.562 4.335 50 0 IIAARN Cc1oc2cc(OCC(=O)NCCc3ccc(O)cc3)ccc2c(=O)c1Oc1ccccc1 ZINC000009485921 569539606 /nfs/dbraw/zinc/53/96/06/569539606.db2.gz OFSZYCLVKCMIBP-UHFFFAOYSA-N 0 0 445.471 4.337 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCC1 ZINC000009487119 569539729 /nfs/dbraw/zinc/53/97/29/569539729.db2.gz VRTVATDTEFVSKN-UHFFFAOYSA-N 0 0 428.963 4.227 50 0 IIAARN O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000009490187 569540058 /nfs/dbraw/zinc/54/00/58/569540058.db2.gz XKEHXIJKNONKFN-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009490645 569540297 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CC(=O)Nc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)cc1 ZINC000009577933 569548269 /nfs/dbraw/zinc/54/82/69/569548269.db2.gz LMLMIRNPFUOUID-GFCCVEGCSA-N 0 0 430.461 4.038 50 0 IIAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)ccc1OC(F)F ZINC000009579709 569548546 /nfs/dbraw/zinc/54/85/46/569548546.db2.gz GBPLGXVEIMAUIE-IBGZPJMESA-N 0 0 447.507 4.345 50 0 IIAARN CN(Cc1ccsc1)C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000009581045 569549104 /nfs/dbraw/zinc/54/91/04/569549104.db2.gz APUSNXJOUDMSIQ-UHFFFAOYSA-N 0 0 435.578 4.201 50 0 IIAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000009583280 569549301 /nfs/dbraw/zinc/54/93/01/569549301.db2.gz DXNHKWNFXPCCJR-UHFFFAOYSA-N 0 0 437.308 4.297 50 0 IIAARN CC(=O)Oc1ccc(Br)cc1[C@H]1OC(c2ccc(Cl)cc2)=NN1C(C)=O ZINC000009586255 569549675 /nfs/dbraw/zinc/54/96/75/569549675.db2.gz TTZICRQQZURSFS-GOSISDBHSA-N 0 0 437.677 4.267 50 0 IIAARN COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)N(C)C ZINC000009591343 569550183 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CCOC(=O)c1ccccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440879 521549565 /nfs/dbraw/zinc/54/95/65/521549565.db2.gz DSGDNJKOTPITHE-UHFFFAOYSA-N 0 0 439.899 4.159 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CN1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403777 521550401 /nfs/dbraw/zinc/55/04/01/521550401.db2.gz GIFBPTISVDQFAC-UHFFFAOYSA-N 0 0 444.535 4.085 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1-n1cccc1 ZINC000021649608 521554684 /nfs/dbraw/zinc/55/46/84/521554684.db2.gz YGIMJZMCFWMGBY-UHFFFAOYSA-N 0 0 443.507 4.470 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OCC)cc1)S2 ZINC000020445789 521573096 /nfs/dbraw/zinc/57/30/96/521573096.db2.gz DYWQDXHIUFSLRM-UXHICEINSA-N 0 0 441.532 4.166 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000020445765 521573329 /nfs/dbraw/zinc/57/33/29/521573329.db2.gz DVYIZWGHIZKEKR-PMACEKPBSA-N 0 0 425.533 4.384 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1COC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000022000994 521608473 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COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCc1ccccc1 ZINC000012323111 522060025 /nfs/dbraw/zinc/06/00/25/522060025.db2.gz NVECMBNEZNZBTH-UHFFFAOYSA-N 0 0 440.565 4.155 50 0 IIAARN CC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012763765 522070293 /nfs/dbraw/zinc/07/02/93/522070293.db2.gz FBJZOFOMAPMIDV-KBPBESRZSA-N 0 0 437.521 4.062 50 0 IIAARN COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1OCc1c(C)noc1C ZINC000012786460 522158344 /nfs/dbraw/zinc/15/83/44/522158344.db2.gz YWHJBTJEETUOEC-UHFFFAOYSA-N 0 0 435.480 4.258 50 0 IIAARN CC[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012806413 522158694 /nfs/dbraw/zinc/15/86/94/522158694.db2.gz CBDDFLNQMDHJPM-CYBMUJFWSA-N 0 0 445.368 4.112 50 0 IIAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001129352 522187226 /nfs/dbraw/zinc/18/72/26/522187226.db2.gz VPFYXCIQEONFAM-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccccc2)c1 ZINC000012884718 522250400 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436.508 4.436 50 0 IIAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)c1ccco1 ZINC000035948251 522452552 /nfs/dbraw/zinc/45/25/52/522452552.db2.gz BHDNQOYSCYTHMM-KRWDZBQOSA-N 0 0 427.913 4.444 50 0 IIAARN CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749032 522454351 /nfs/dbraw/zinc/45/43/51/522454351.db2.gz WADKBZLTRGANNW-KRWDZBQOSA-N 0 0 425.838 4.078 50 0 IIAARN CN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C(=O)c1ccco1 ZINC000012769380 522480051 /nfs/dbraw/zinc/48/00/51/522480051.db2.gz GHSHPHSZBKHBJP-GOSISDBHSA-N 0 0 435.911 4.435 50 0 IIAARN CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C(=O)c1ccco1 ZINC000012769376 522482138 /nfs/dbraw/zinc/48/21/38/522482138.db2.gz GHSHPHSZBKHBJP-SFHVURJKSA-N 0 0 435.911 4.435 50 0 IIAARN CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853652 522534296 /nfs/dbraw/zinc/53/42/96/522534296.db2.gz CNNDUDMIDIXODK-LJQANCHMSA-N 0 0 442.585 4.157 50 0 IIAARN CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854104 522537736 /nfs/dbraw/zinc/53/77/36/522537736.db2.gz MQSOPXCZWWXQOD-IBGZPJMESA-N 0 0 442.585 4.111 50 0 IIAARN COc1cc(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc(OC)c1 ZINC000022767998 522560881 /nfs/dbraw/zinc/56/08/81/522560881.db2.gz CGLIVMBNWVMZOF-UHFFFAOYSA-N 0 0 436.899 4.179 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)cc(OC)c1 ZINC000032985974 522650194 /nfs/dbraw/zinc/65/01/94/522650194.db2.gz YYGGLCUYWZGHDJ-UHFFFAOYSA-N 0 0 449.536 4.112 50 0 IIAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3c[nH]c4ccccc43)C2)cc(OC)c1 ZINC000012704936 522652043 /nfs/dbraw/zinc/65/20/43/522652043.db2.gz NONQNPRVBRGTIC-KRWDZBQOSA-N 0 0 435.524 4.456 50 0 IIAARN CCc1nn(CCCC(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc3oc(C)cc3n21 ZINC000020862430 522704840 /nfs/dbraw/zinc/70/48/40/522704840.db2.gz IRWOFTMFOFYOSB-LJQANCHMSA-N 0 0 432.524 4.087 50 0 IIAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000035947384 522733157 /nfs/dbraw/zinc/73/31/57/522733157.db2.gz YKPABDNGNMTTKI-UHFFFAOYSA-N 0 0 441.547 4.196 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1Cl ZINC000012321411 522811620 /nfs/dbraw/zinc/81/16/20/522811620.db2.gz MMGPQHILAGNTAN-HNNXBMFYSA-N 0 0 441.915 4.329 50 0 IIAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1cc(F)ccc1F ZINC000021935570 522914300 /nfs/dbraw/zinc/91/43/00/522914300.db2.gz HSUXRAPZNSZXAY-DIFFPNOSSA-N 0 0 428.464 4.094 50 0 IIAARN COc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)ccc1O ZINC000012419067 522924065 /nfs/dbraw/zinc/92/40/65/522924065.db2.gz WFLWZVPFPWFUJA-AWEZNQCLSA-N 0 0 449.937 4.423 50 0 IIAARN COc1cc([C@@H]2OC(c3cc(C4CC4)nc4ccccc43)=NN2C(C)=O)ccc1OC(C)=O ZINC000021941287 522931741 /nfs/dbraw/zinc/93/17/41/522931741.db2.gz QIAQPYHTXKIXDY-VWLOTQADSA-N 0 0 445.475 4.285 50 0 IIAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000020895627 522968361 /nfs/dbraw/zinc/96/83/61/522968361.db2.gz QFZUZANXPULNCG-HXUWFJFHSA-N 0 0 447.944 4.237 50 0 IIAARN COc1cc2c(c3oc(=O)c(CC(=O)NCc4ccc(C)cc4)c(C)c13)CCC(C)(C)O2 ZINC000012901931 522993639 /nfs/dbraw/zinc/99/36/39/522993639.db2.gz HVHVXCLICNOQLH-UHFFFAOYSA-N 0 0 435.520 4.381 50 0 biogenic IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036041007 523036958 /nfs/dbraw/zinc/03/69/58/523036958.db2.gz XTEMCSLENUMLBR-HSZRJFAPSA-N 0 0 434.511 4.372 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1nn(C)c3c1CSc1ccccc1-3)CC2 ZINC000020485244 523046930 /nfs/dbraw/zinc/04/69/30/523046930.db2.gz DOTIKCZAVHLXNY-AWEZNQCLSA-N 0 0 435.549 4.470 50 0 IIAARN CCc1sc(C(=O)NCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1C ZINC000012868669 523069445 /nfs/dbraw/zinc/06/94/45/523069445.db2.gz PLAYMAFZPVPEQY-UHFFFAOYSA-N 0 0 445.566 4.128 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)NCCc1ccccc1 ZINC000021644151 523077651 /nfs/dbraw/zinc/07/76/51/523077651.db2.gz NVQCAEZNIJZYME-RTWAWAEBSA-N 0 0 448.592 4.172 50 0 IIAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N(C)Cc3ccccc3)C3CC3)no2)cc1 ZINC000036001378 523092995 /nfs/dbraw/zinc/09/29/95/523092995.db2.gz UMWRPPOUIZSSTB-UHFFFAOYSA-N 0 0 433.508 4.004 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000020603773 523104947 /nfs/dbraw/zinc/10/49/47/523104947.db2.gz SCRIAAMWRPTJOA-CYBMUJFWSA-N 0 0 437.443 4.327 50 0 IIAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4C)c(=O)c3s2)cc1 ZINC000012734146 523125574 /nfs/dbraw/zinc/12/55/74/523125574.db2.gz GZKWBUUSPCDMJC-INIZCTEOSA-N 0 0 433.533 4.319 50 0 IIAARN COc1ccc(-c2cccc3c2O[C@H](CNC(=O)C2(c4ccc(Cl)cc4)CCC2)C3)nn1 ZINC000012034634 523139442 /nfs/dbraw/zinc/13/94/42/523139442.db2.gz JEOQSMUUXVAVIZ-IBGZPJMESA-N 0 0 449.938 4.347 50 0 IIAARN CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697141 523141759 /nfs/dbraw/zinc/14/17/59/523141759.db2.gz IVKKVSIPUKJZEM-DEOSSOPVSA-N 0 0 439.506 4.072 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000035685296 523153656 /nfs/dbraw/zinc/15/36/56/523153656.db2.gz FZFZWDOEWBDQHX-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Cl)cc3)n2)cc1 ZINC000015670249 523156361 /nfs/dbraw/zinc/15/63/61/523156361.db2.gz KVNYERHNKVRTJN-SFHVURJKSA-N 0 0 446.898 4.169 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)c(C)c3)n2)cc1 ZINC000021726772 523157474 /nfs/dbraw/zinc/15/74/74/523157474.db2.gz JMCCLPICRGDXNV-FQEVSTJZSA-N 0 0 440.507 4.132 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)COC)cc2nc(-c3cccnc3)n(CC)c21 ZINC000012182460 523164630 /nfs/dbraw/zinc/16/46/30/523164630.db2.gz DGNBLSIVDPDRNF-LJQANCHMSA-N 0 0 449.555 4.108 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1Cc1ccccc1 ZINC000012421537 523165188 /nfs/dbraw/zinc/16/51/88/523165188.db2.gz KASOELIDGBBCCD-HXUWFJFHSA-N 0 0 428.536 4.411 50 0 IIAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000033067722 523198535 /nfs/dbraw/zinc/19/85/35/523198535.db2.gz RUHDQOKOTKCKFB-UHFFFAOYSA-N 0 0 440.500 4.159 50 0 IIAARN COc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CCCCC4)n32)cc1 ZINC000021727142 523232888 /nfs/dbraw/zinc/23/28/88/523232888.db2.gz MEXJCIWIBJMPDK-UHFFFAOYSA-N 0 0 447.564 4.494 50 0 IIAARN CCn1c2c(nc(CCC(=O)Nc3ccc(F)cc3C)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021040630 523254000 /nfs/dbraw/zinc/25/40/00/523254000.db2.gz SPAFTBAYBZXLOP-UHFFFAOYSA-N 0 0 447.514 4.238 50 0 IIAARN COc1ccc(-c2nnn(CN3CCc4sccc4[C@H]3c3ccccc3)n2)cc1OC ZINC000012799089 523270225 /nfs/dbraw/zinc/27/02/25/523270225.db2.gz SZJFEIFXTPDGLZ-JOCHJYFZSA-N 0 0 433.537 4.024 50 0 IIAARN CCn1c2ccccc2nc1SCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000012525221 523289788 /nfs/dbraw/zinc/28/97/88/523289788.db2.gz DUEGZQHZFVKNFJ-UHFFFAOYSA-N 0 0 425.539 4.461 50 0 IIAARN CN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020575244 523338131 /nfs/dbraw/zinc/33/81/31/523338131.db2.gz IVIQVAMWKHOHGV-IBGZPJMESA-N 0 0 445.498 4.299 50 0 IIAARN COC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1cccs1 ZINC000012736189 523338189 /nfs/dbraw/zinc/33/81/89/523338189.db2.gz YIPQFRKYLFSUKT-INIZCTEOSA-N 0 0 448.342 4.039 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000012789011 523339693 /nfs/dbraw/zinc/33/96/93/523339693.db2.gz MXBJZDBNHASQKC-UHFFFAOYSA-N 0 0 437.550 4.439 50 0 IIAARN COc1ccc(/C=C(\C(=O)N2CCC(Cc3ccccc3)CC2)n2ccccc2=O)cc1 ZINC000012285151 523381487 /nfs/dbraw/zinc/38/14/87/523381487.db2.gz MDHARYHJDJBGCU-LKUDQCMESA-N 0 0 428.532 4.336 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccs1 ZINC000012390604 523499735 /nfs/dbraw/zinc/49/97/35/523499735.db2.gz ZSLDPZNDZWVBHK-UHFFFAOYSA-N 0 0 432.567 4.288 50 0 IIAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012738137 523507618 /nfs/dbraw/zinc/50/76/18/523507618.db2.gz HUIJHLAGELUAHB-CYBMUJFWSA-N 0 0 432.336 4.112 50 0 IIAARN CCn1ccnc1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012317069 523525434 /nfs/dbraw/zinc/52/54/34/523525434.db2.gz WGJNTUUQLYXKOS-UHFFFAOYSA-N 0 0 442.995 4.242 50 0 IIAARN CCn1ccnc1CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000012316469 523529857 /nfs/dbraw/zinc/52/98/57/523529857.db2.gz JGLISNCUBYTNRS-UHFFFAOYSA-N 0 0 430.980 4.226 50 0 IIAARN COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)C1=CCCCC1 ZINC000012599387 523537448 /nfs/dbraw/zinc/53/74/48/523537448.db2.gz VMPDGNRFTVIGPV-UHFFFAOYSA-N 0 0 430.549 4.444 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1Br ZINC000018040126 523598914 /nfs/dbraw/zinc/59/89/14/523598914.db2.gz LUFQRVQTDKNCIZ-UHFFFAOYSA-N 0 0 446.128 4.475 50 0 IIAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000012921445 523624669 /nfs/dbraw/zinc/62/46/69/523624669.db2.gz HJGRATCHNOXZJB-HXUWFJFHSA-N 0 0 446.638 4.302 50 0 IIAARN CCn1nc(C)c(CNC(=O)CCc2nnc(-c3ccc(-c4ccccc4)cc3)o2)c1C ZINC000012716650 523643990 /nfs/dbraw/zinc/64/39/90/523643990.db2.gz JVMYFXOAIABFES-UHFFFAOYSA-N 0 0 429.524 4.486 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)CC(C)(C)C ZINC000035946805 523650562 /nfs/dbraw/zinc/65/05/62/523650562.db2.gz MRTJDMRKDASUEV-FQEVSTJZSA-N 0 0 443.519 4.008 50 0 IIAARN CCc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000012248078 523686884 /nfs/dbraw/zinc/68/68/84/523686884.db2.gz NHHLYELTBAKCEO-UHFFFAOYSA-N 0 0 449.620 4.408 50 0 IIAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)C1CC1 ZINC000035980231 523735914 /nfs/dbraw/zinc/73/59/14/523735914.db2.gz HESSALNWEBIMSL-UHFFFAOYSA-N 0 0 435.524 4.273 50 0 IIAARN CCc1cc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2CC)cs1 ZINC000017098087 523736783 /nfs/dbraw/zinc/73/67/83/523736783.db2.gz SQXJVTWJNBUFRP-UHFFFAOYSA-N 0 0 432.571 4.337 50 0 IIAARN CN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000035834705 523738631 /nfs/dbraw/zinc/73/86/31/523738631.db2.gz BEMYNCYUNIVQPK-VWLOTQADSA-N 0 0 439.515 4.258 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)NC(C)C ZINC000012926434 523753181 /nfs/dbraw/zinc/75/31/81/523753181.db2.gz RLFNPEHLKRVAOQ-UHFFFAOYSA-N 0 0 436.533 4.205 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCCC2 ZINC000020721688 523810495 /nfs/dbraw/zinc/81/04/95/523810495.db2.gz MRASPKFXVOYCIM-HSZRJFAPSA-N 0 0 434.536 4.417 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccs2)[C@@H]1c1ccccc1 ZINC000035972238 523810628 /nfs/dbraw/zinc/81/06/28/523810628.db2.gz SBHKVNWQVXYSJS-GOTSBHOMSA-N 0 0 434.561 4.034 50 0 IIAARN CN(C(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000012918601 523841716 /nfs/dbraw/zinc/84/17/16/523841716.db2.gz KKCDMVAAGCOCMF-OAQYLSRUSA-N 0 0 428.941 4.413 50 0 IIAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCCOC)C3=O)s1 ZINC000021809910 523846448 /nfs/dbraw/zinc/84/64/48/523846448.db2.gz FUHCZMZQFJLKDU-XMMPIXPASA-N 0 0 445.629 4.355 50 0 IIAARN COCCN1c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2Sc2ccccc2C1=O ZINC000021355355 523888826 /nfs/dbraw/zinc/88/88/26/523888826.db2.gz SZEFZMSUOHSHBP-UHFFFAOYSA-N 0 0 448.500 4.425 50 0 IIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000021440149 523922006 /nfs/dbraw/zinc/92/20/06/523922006.db2.gz BTVTYXNXSICTOA-UHFFFAOYSA-N 0 0 449.576 4.027 50 0 IIAARN CCc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021781140 523924529 /nfs/dbraw/zinc/92/45/29/523924529.db2.gz UNICHPQPBRSCQK-AREMUKBSSA-N 0 0 448.567 4.283 50 0 IIAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCc2nnsc2Cl)cc1 ZINC000021605331 523928234 /nfs/dbraw/zinc/92/82/34/523928234.db2.gz KVDPFXVQXNGIOL-UHFFFAOYSA-N 0 0 431.901 4.128 50 0 IIAARN CCc1ccc(CN2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021039856 523929967 /nfs/dbraw/zinc/92/99/67/523929967.db2.gz ZALLFNZHBUEQGJ-UHFFFAOYSA-N 0 0 431.559 4.063 50 0 IIAARN CC[C@H](C)N(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)C(=O)C1CCCC1 ZINC000035225788 523935455 /nfs/dbraw/zinc/93/54/55/523935455.db2.gz NTEWQXAJDHYSKU-HNNXBMFYSA-N 0 0 430.574 4.360 50 0 IIAARN CCc1ccc(CNC(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)cc1 ZINC000021916874 523939721 /nfs/dbraw/zinc/93/97/21/523939721.db2.gz BZFWTMUNZAGREZ-UHFFFAOYSA-N 0 0 441.531 4.254 50 0 IIAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)C(C)C)c1)C(=O)c1ccccc1F ZINC000036008546 523942631 /nfs/dbraw/zinc/94/26/31/523942631.db2.gz DUDZFVWTYKDIPC-INIZCTEOSA-N 0 0 437.533 4.392 50 0 IIAARN CN(C(=O)c1ccccc1N1CCC(NC(=O)Cc2ccccc2)CC1)C1CCCCC1 ZINC000035810786 523948350 /nfs/dbraw/zinc/94/83/50/523948350.db2.gz MPPUAWXVDIMOMM-UHFFFAOYSA-N 0 0 433.596 4.419 50 0 IIAARN COc1ccc(CCN2Cc3cc(NC(=O)Cc4ccccc4)ccc3O[C@H](C)C2=O)cc1 ZINC000035884665 523952326 /nfs/dbraw/zinc/95/23/26/523952326.db2.gz DTEOJMODXXIZBW-LJQANCHMSA-N 0 0 444.531 4.229 50 0 IIAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccc(F)cc4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035884631 523953370 /nfs/dbraw/zinc/95/33/70/523953370.db2.gz JGZZBPDMQXCJQJ-KRWDZBQOSA-N 0 0 448.494 4.439 50 0 IIAARN COc1ccc(CCN2C[C@H](C(=O)NC3c4ccccc4-c4ccccc43)CCC2=O)cc1 ZINC000012716677 523953390 /nfs/dbraw/zinc/95/33/90/523953390.db2.gz HTRDPVGYPNPMAB-HXUWFJFHSA-N 0 0 440.543 4.363 50 0 IIAARN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115369 523963769 /nfs/dbraw/zinc/96/37/69/523963769.db2.gz MQVXERSRULNKIL-KRWDZBQOSA-N 0 0 426.582 4.313 50 0 IIAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1OC ZINC000020978924 523976535 /nfs/dbraw/zinc/97/65/35/523976535.db2.gz CWGHHDDZRINNOH-UHFFFAOYSA-N 0 0 444.553 4.312 50 0 IIAARN CCc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 ZINC000020417456 523977176 /nfs/dbraw/zinc/97/71/76/523977176.db2.gz DZEQHSGBYYZQLU-UHFFFAOYSA-N 0 0 432.499 4.203 50 0 IIAARN CCc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 ZINC000015859860 524001358 /nfs/dbraw/zinc/00/13/58/524001358.db2.gz UMCJSODHKZCTBB-UHFFFAOYSA-N 0 0 434.876 4.025 50 0 IIAARN COc1ccc(CN(C)S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c(OC)c1OC ZINC000021166822 524008686 /nfs/dbraw/zinc/00/86/86/524008686.db2.gz CISRYCVCTCKQDS-UHFFFAOYSA-N 0 0 448.368 4.457 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2ccc(OC)cc2)c1C ZINC000036002074 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C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Cl ZINC000012779705 525216791 /nfs/dbraw/zinc/21/67/91/525216791.db2.gz JMASOMYTUGCFCL-MRXNPFEDSA-N 0 0 435.977 4.075 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)c2cccc(-c3nccnc3N3CCCC3)c2)CC1 ZINC000033313000 525223354 /nfs/dbraw/zinc/22/33/54/525223354.db2.gz VIDZVOMLASJUIL-UHFFFAOYSA-N 0 0 427.552 4.015 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012676234 525240522 /nfs/dbraw/zinc/24/05/22/525240522.db2.gz GBGOMQHCZHJITD-QHCPKHFHSA-N 0 0 442.581 4.237 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035961484 525240866 /nfs/dbraw/zinc/24/08/66/525240866.db2.gz HGRLAAHZMONUPI-QHCPKHFHSA-N 0 0 437.515 4.161 50 0 IIAARN CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccc(Cl)c2)O3)cc1 ZINC000014883182 525241105 /nfs/dbraw/zinc/24/11/05/525241105.db2.gz DDHADGIUSGVUSO-HXUWFJFHSA-N 0 0 441.936 4.144 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc3c4ccccc4oc3c2=O)cc1 ZINC000012864547 525241372 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/nfs/dbraw/zinc/49/41/93/525494193.db2.gz ZHEZPEOYDZHEFU-UHFFFAOYSA-N 0 0 430.386 4.218 50 0 IIAARN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034715803 525498550 /nfs/dbraw/zinc/49/85/50/525498550.db2.gz NUCQBUOBZMOAPQ-WOJBJXKFSA-N 0 0 429.511 4.113 50 0 IIAARN COc1ccc2c(COC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)cc(=O)oc2c1 ZINC000016167771 525501518 /nfs/dbraw/zinc/50/15/18/525501518.db2.gz ZGSVEVKDOBSFGT-UHFFFAOYSA-N 0 0 436.460 4.128 50 0 IIAARN Cc1cccnc1CN(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012436068 525510843 /nfs/dbraw/zinc/51/08/43/525510843.db2.gz LUAZQHLGCBXERU-OAQYLSRUSA-N 0 0 441.579 4.211 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCc1cc(-c2ccco2)on1 ZINC000019062034 525530142 /nfs/dbraw/zinc/53/01/42/525530142.db2.gz UVQGAWFGAGGTQR-MRXNPFEDSA-N 0 0 444.509 4.163 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)cc1 ZINC000012342535 525537435 /nfs/dbraw/zinc/53/74/35/525537435.db2.gz UVTCPAMTRRENOP-UHFFFAOYSA-N 0 0 438.524 4.457 50 0 IIAARN C[C@@H]1Cn2cc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532014 525542584 /nfs/dbraw/zinc/54/25/84/525542584.db2.gz QWSJTRGPUKQCQP-ZCFIWIBFSA-N 0 0 444.743 4.384 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC1)c1cccn1-2 ZINC000035399357 525552786 /nfs/dbraw/zinc/55/27/86/525552786.db2.gz MUGAKSSDBGWWQI-UHFFFAOYSA-N 0 0 437.565 4.208 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccs2)cc1 ZINC000020851332 525554170 /nfs/dbraw/zinc/55/41/70/525554170.db2.gz OJLKMBJLSIZUGS-JOCHJYFZSA-N 0 0 440.590 4.051 50 0 IIAARN CSCC[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 ZINC000012580608 525586727 /nfs/dbraw/zinc/58/67/27/525586727.db2.gz LRBSBRFNGNFLMR-KRWDZBQOSA-N 0 0 429.567 4.037 50 0 IIAARN COc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCOCC1)c2Sc1ccc(C)cc1 ZINC000020466814 525598215 /nfs/dbraw/zinc/59/82/15/525598215.db2.gz PZLMLXOTSVHKLR-UHFFFAOYSA-N 0 0 439.581 4.088 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCCc4ccccc4)CC3)[nH]c2c1 ZINC000035561973 525621259 /nfs/dbraw/zinc/62/12/59/525621259.db2.gz FYHYOSDLTHIJOK-UHFFFAOYSA-N 0 0 433.552 4.168 50 0 IIAARN Cc1c(C(=O)NC[C@H]2CCCO2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012871398 525624188 /nfs/dbraw/zinc/62/41/88/525624188.db2.gz KPIRQSZQSPFVJZ-OAHLLOKOSA-N 0 0 443.594 4.111 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1 ZINC000020355920 525635727 /nfs/dbraw/zinc/63/57/27/525635727.db2.gz DKMYAYNVNSMPNA-UHFFFAOYSA-N 0 0 429.505 4.031 50 0 IIAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)ccc2c1 ZINC000015611670 525640964 /nfs/dbraw/zinc/64/09/64/525640964.db2.gz BMXZXHBMPWTFDY-INIZCTEOSA-N 0 0 426.538 4.277 50 0 IIAARN Cc1c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cnn1-c1ccc(Cl)cc1 ZINC000012929717 525663076 /nfs/dbraw/zinc/66/30/76/525663076.db2.gz JWGDGZMQUYTSIR-KBPBESRZSA-N 0 0 445.976 4.152 50 0 IIAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000020606279 525663233 /nfs/dbraw/zinc/66/32/33/525663233.db2.gz UNTWEWSDWFUKMP-MRXNPFEDSA-N 0 0 444.417 4.196 50 0 IIAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000020606272 525663283 /nfs/dbraw/zinc/66/32/83/525663283.db2.gz HPLQQMASFBYUDT-WBMJQRKESA-N 0 0 440.454 4.287 50 0 IIAARN COc1ccc2nc(NC(=O)C3CCN(c4nc(-c5ccccc5)no4)CC3)sc2c1 ZINC000021945053 525673568 /nfs/dbraw/zinc/67/35/68/525673568.db2.gz ZTIGYROVAYPOMU-UHFFFAOYSA-N 0 0 435.509 4.210 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)nc2c1 ZINC000012734965 525678677 /nfs/dbraw/zinc/67/86/77/525678677.db2.gz ROLUQKXAIVXWHM-LJQANCHMSA-N 0 0 427.526 4.045 50 0 IIAARN Cc1cc2sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000009663945 525700653 /nfs/dbraw/zinc/70/06/53/525700653.db2.gz OMHVQRKRIGZGLW-CQSZACIVSA-N 0 0 435.596 4.157 50 0 IIAARN C[C@@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012554869 525702401 /nfs/dbraw/zinc/70/24/01/525702401.db2.gz AFHLITZGCGJECO-OAHLLOKOSA-N 0 0 430.533 4.425 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(F)cc3)no2)cc1C ZINC000036001602 525719575 /nfs/dbraw/zinc/71/95/75/525719575.db2.gz YXUILPPUIQWLHX-JOCHJYFZSA-N 0 0 435.499 4.409 50 0 IIAARN COc1cccc(-c2nnc(S[C@H](C)C(=O)NC3CCCC3)n2Cc2ccco2)c1 ZINC000009669940 525733786 /nfs/dbraw/zinc/73/37/86/525733786.db2.gz KPIHZCWKJNHHCE-OAHLLOKOSA-N 0 0 426.542 4.134 50 0 IIAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCCN(C)c4ccccc4)C3)nn2)cc1 ZINC000035398142 525752501 /nfs/dbraw/zinc/75/25/01/525752501.db2.gz KHVSGIRCGDODIZ-QHCPKHFHSA-N 0 0 443.595 4.311 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1C ZINC000023120650 525782182 /nfs/dbraw/zinc/78/21/82/525782182.db2.gz AGTBAHYZPWHMMA-UHFFFAOYSA-N 0 0 429.567 4.140 50 0 IIAARN COc1cccc(C(=O)CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)s2)c1 ZINC000035912993 525784403 /nfs/dbraw/zinc/78/44/03/525784403.db2.gz ZFSIJNZHOMLTJP-DLBZAZTESA-N 0 0 425.535 4.264 50 0 IIAARN C[C@@]1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000035526796 525802864 /nfs/dbraw/zinc/80/28/64/525802864.db2.gz COJAIQQDGCCLQG-OAQYLSRUSA-N 0 0 433.321 4.147 50 0 IIAARN Cc1ccc(-c2nc(COC(=O)CCNC(=O)CCC(=O)c3ccccc3)cs2)cc1 ZINC000016695578 525814075 /nfs/dbraw/zinc/81/40/75/525814075.db2.gz ZUGSTRXAXQENRC-UHFFFAOYSA-N 0 0 436.533 4.331 50 0 IIAARN Cc1ccc(-c2nc3cccnc3n2CCCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000021155540 525828038 /nfs/dbraw/zinc/82/80/38/525828038.db2.gz WPSPQQJBHMUYHB-UHFFFAOYSA-N 0 0 440.956 4.429 50 0 IIAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012684039 525841248 /nfs/dbraw/zinc/84/12/48/525841248.db2.gz QVLYFFYDOKFGLI-UHFFFAOYSA-N 0 0 437.547 4.264 50 0 IIAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000012932358 525861961 /nfs/dbraw/zinc/86/19/61/525861961.db2.gz LVGIDRMGHBNZKI-JOCHJYFZSA-N 0 0 443.551 4.223 50 0 IIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCc4sccc4C3)C2=O)cc1C ZINC000022099829 525871923 /nfs/dbraw/zinc/87/19/23/525871923.db2.gz XMEPAYLYJMRJHB-RUZDIDTESA-N 0 0 431.561 4.176 50 0 IIAARN Cc1c(S(=O)(=O)c2ccc(Br)cc2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000020856784 525887515 /nfs/dbraw/zinc/88/75/15/525887515.db2.gz GCHXKQJPWVMZFI-UHFFFAOYSA-N 0 0 446.248 4.190 50 0 IIAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000242339005 525889722 /nfs/dbraw/zinc/88/97/22/525889722.db2.gz ZEDJCQHNOLGCDG-JTSKRJEESA-N 0 0 442.491 4.136 50 0 IIAARN Cc1ccc(-n2c3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)n(C3CC3)c2=O)cc1 ZINC000034693499 525903295 /nfs/dbraw/zinc/90/32/95/525903295.db2.gz ZDTVPZAMTVZTJV-UHFFFAOYSA-N 0 0 428.536 4.338 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000021356011 525918275 /nfs/dbraw/zinc/91/82/75/525918275.db2.gz WPFIVCQDWPXDFA-OAHLLOKOSA-N 0 0 431.330 4.481 50 0 IIAARN COc1cccc(CN(C[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)CC(C)C)c1 ZINC000035835356 525925465 /nfs/dbraw/zinc/92/54/65/525925465.db2.gz CLSBYYRKNIMJKD-OAQYLSRUSA-N 0 0 440.540 4.280 50 0 IIAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012776466 525925656 /nfs/dbraw/zinc/92/56/56/525925656.db2.gz CPKRDVQSJWNTQY-JKSUJKDBSA-N 0 0 431.330 4.094 50 0 IIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000023271356 525931361 /nfs/dbraw/zinc/93/13/61/525931361.db2.gz ZBKZHSCRGCUVAJ-PBHICJAKSA-N 0 0 446.544 4.081 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000022299647 525933541 /nfs/dbraw/zinc/93/35/41/525933541.db2.gz TVFPEFWPQWMCHJ-UPJWGTAASA-N 0 0 444.384 4.465 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC(C(=O)NC3CCCC3)CC1)nnc2C ZINC000020564264 525935105 /nfs/dbraw/zinc/93/51/05/525935105.db2.gz VHICKWNLJFIHRU-UHFFFAOYSA-N 0 0 432.572 4.016 50 0 IIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000012907748 525936629 /nfs/dbraw/zinc/93/66/29/525936629.db2.gz FLJNVHAZJQTMLM-INIZCTEOSA-N 0 0 429.469 4.024 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)N3CCCCCC3)CC1)nnc2C ZINC000020938679 525937550 /nfs/dbraw/zinc/93/75/50/525937550.db2.gz BQYKHYPAENPABV-UHFFFAOYSA-N 0 0 432.572 4.051 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000012765810 525954096 /nfs/dbraw/zinc/95/40/96/525954096.db2.gz XVWQDAQFWDZVSD-UHFFFAOYSA-N 0 0 425.916 4.100 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)CC(C)(C)C)ccc3O[C@@H](C)C2=O)c1OC ZINC000035909726 525960336 /nfs/dbraw/zinc/96/03/36/525960336.db2.gz RBNDENHSCRALOP-INIZCTEOSA-N 0 0 440.540 4.388 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(C(=O)c3cccnc3-c3ccccc3C)CC2)c1 ZINC000021654460 525962833 /nfs/dbraw/zinc/96/28/33/525962833.db2.gz ZRUMWPCLXRPKIT-UHFFFAOYSA-N 0 0 443.547 4.234 50 0 IIAARN Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020617627 525972327 /nfs/dbraw/zinc/97/23/27/525972327.db2.gz VGKFZCSARINRKY-FVDSYPCUSA-N 0 0 443.459 4.150 50 0 IIAARN COc1cccc(CNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000033268969 525972550 /nfs/dbraw/zinc/97/25/50/525972550.db2.gz WVJWHHXNIMLMGN-UHFFFAOYSA-N 0 0 436.512 4.261 50 0 IIAARN CSc1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012807542 525986242 /nfs/dbraw/zinc/98/62/42/525986242.db2.gz OHWPCHKKRXSMIB-UHFFFAOYSA-N 0 0 427.595 4.107 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(Nc2ccccc2Cl)n1)C(=O)N1CCNC1=O ZINC000012762643 526002995 /nfs/dbraw/zinc/00/29/95/526002995.db2.gz VWQUBVCJOFWPPN-LBPRGKRZSA-N 0 0 427.917 4.059 50 0 IIAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2OC)O3)c1 ZINC000032983702 526006752 /nfs/dbraw/zinc/00/67/52/526006752.db2.gz JZYGTQHODRYATM-OEAKJJBVSA-N 0 0 430.460 4.006 50 0 IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012776550 526010768 /nfs/dbraw/zinc/01/07/68/526010768.db2.gz USZYWNUQKUWSQQ-SJORKVTESA-N 0 0 445.548 4.440 50 0 IIAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000022055973 526011365 /nfs/dbraw/zinc/01/13/65/526011365.db2.gz KBLKUJVONQOQGM-KRWDZBQOSA-N 0 0 427.533 4.399 50 0 IIAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012557092 526015131 /nfs/dbraw/zinc/01/51/31/526015131.db2.gz YDIDUGQUXMGJHF-LBPRGKRZSA-N 0 0 434.568 4.017 50 0 IIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)o3)CC2=O)cc1 ZINC000033291280 526022395 /nfs/dbraw/zinc/02/23/95/526022395.db2.gz UWGLMDOQAGVWMM-LBPRGKRZSA-N 0 0 428.901 4.218 50 0 IIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000030215777 526038665 /nfs/dbraw/zinc/03/86/65/526038665.db2.gz WBAWYTBTHUPVLE-OAHLLOKOSA-N 0 0 432.567 4.041 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)on1 ZINC000020580081 526040301 /nfs/dbraw/zinc/04/03/01/526040301.db2.gz BBOLQJTVAUBZFW-UHFFFAOYSA-N 0 0 431.945 4.123 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000015096491 526041617 /nfs/dbraw/zinc/04/16/17/526041617.db2.gz JRNGQIULXGMCEB-CQSZACIVSA-N 0 0 442.495 4.151 50 0 IIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012517221 526062481 /nfs/dbraw/zinc/06/24/81/526062481.db2.gz HASZBKUBORIPRJ-OAHLLOKOSA-N 0 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429.472 4.307 50 0 IIAARN Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002692005 556120327 /nfs/dbraw/zinc/12/03/27/556120327.db2.gz WFAYUJBKPMTCDG-UHFFFAOYSA-N 0 0 425.456 4.469 50 0 IIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704078 556123240 /nfs/dbraw/zinc/12/32/40/556123240.db2.gz PJIJHBVTKCTXOK-QHCPKHFHSA-N 0 0 441.439 4.281 50 0 IIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704084 556123251 /nfs/dbraw/zinc/12/32/51/556123251.db2.gz LSXQNEPFISGDAW-HSZRJFAPSA-N 0 0 441.439 4.281 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 ZINC000002711485 556125018 /nfs/dbraw/zinc/12/50/18/556125018.db2.gz GWVCVFIKSAIIFD-UHFFFAOYSA-N 0 0 425.373 4.051 50 0 IIAARN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1 ZINC000002722282 556128291 /nfs/dbraw/zinc/12/82/91/556128291.db2.gz HTDYWQDTWYKQGF-UHFFFAOYSA-N 0 0 443.912 4.052 50 0 IIAARN Cc1ccc(Cl)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000002723871 556129257 /nfs/dbraw/zinc/12/92/57/556129257.db2.gz IKYGELNWXQCGOS-UHFFFAOYSA-N 0 0 435.958 4.295 50 0 IIAARN Cc1cc(C)n(Cn2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)n2)n1 ZINC000002728615 556133922 /nfs/dbraw/zinc/13/39/22/556133922.db2.gz FQYMOHACJVMPQC-UHFFFAOYSA-N 0 0 444.467 4.179 50 0 IIAARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 ZINC000002763773 556135992 /nfs/dbraw/zinc/13/59/92/556135992.db2.gz SQVAKYMNOMNWIK-UHFFFAOYSA-N 0 0 447.516 4.200 50 0 IIAARN O=C(c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F)N1CCOCC1 ZINC000002780139 556141601 /nfs/dbraw/zinc/14/16/01/556141601.db2.gz VFPVXHXQLATJJJ-UHFFFAOYSA-N 0 0 426.398 4.041 50 0 IIAARN Cn1ncc2c3nc(-c4cccc(COc5cccc(Br)c5)c4)nn3cnc21 ZINC000002800009 556142132 /nfs/dbraw/zinc/14/21/32/556142132.db2.gz KDXCGFCYEDWUIH-UHFFFAOYSA-N 0 0 435.285 4.020 50 0 IIAARN Cc1cc(C)n(Cc2cccc(C3N=NC(=S)N3c3cnn(Cc4ccccc4)c3)c2)n1 ZINC000002808572 556146666 /nfs/dbraw/zinc/14/66/66/556146666.db2.gz ASDAOMKNSSHKFN-UHFFFAOYSA-N 0 0 441.564 4.329 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccccc2c1=O ZINC000002973450 556152474 /nfs/dbraw/zinc/15/24/74/556152474.db2.gz LAMMCDODIBJFAI-UHFFFAOYSA-N 0 0 425.554 4.116 50 0 IIAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CS(=O)(=O)C3)CC1 ZINC000003009358 556155194 /nfs/dbraw/zinc/15/51/94/556155194.db2.gz CLZUUEBNVQZXST-UHFFFAOYSA-N 0 0 445.585 4.244 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 ZINC000003012994 556155783 /nfs/dbraw/zinc/15/57/83/556155783.db2.gz LGYRPKUGJMDFMO-WMLDXEAASA-N 0 0 436.390 4.406 50 0 IIAARN O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417879 556167681 /nfs/dbraw/zinc/16/76/81/556167681.db2.gz AIJLNCVELMDHTM-XOYGFPHKSA-N 0 0 442.565 4.086 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(OC)cc3)n2)cc1 ZINC000008432791 556172114 /nfs/dbraw/zinc/17/21/14/556172114.db2.gz QWMLDTRJEJDKFO-OTYYAQKOSA-N 0 0 429.476 4.403 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000008432975 556172377 /nfs/dbraw/zinc/17/23/77/556172377.db2.gz KAKZESUQBLGIFV-RGEXLXHISA-N 0 0 438.505 4.319 50 0 IIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008441259 556176719 /nfs/dbraw/zinc/17/67/19/556176719.db2.gz VNNPWFPFVADQOP-QGZVFWFLSA-N 0 0 425.268 4.071 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(CNc2ccccc2)n1 ZINC000008441520 556176853 /nfs/dbraw/zinc/17/68/53/556176853.db2.gz FVMDNMNJIJEJKK-UHFFFAOYSA-N 0 0 445.570 4.003 50 0 IIAARN NC(=O)c1c2c(sc1NC(=O)[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NO1)CCCC2 ZINC000008442791 556177731 /nfs/dbraw/zinc/17/77/31/556177731.db2.gz GBZSIGIXZVXXRH-CQSZACIVSA-N 0 0 438.336 4.164 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 ZINC000008456776 556186237 /nfs/dbraw/zinc/18/62/37/556186237.db2.gz FBLQDAZYPRQRBB-CQSZACIVSA-N 0 0 428.579 4.286 50 0 IIAARN CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3C(F)(F)F)cc12 ZINC000008616657 556192620 /nfs/dbraw/zinc/19/26/20/556192620.db2.gz AXUBCSBDEIHGHV-UHFFFAOYSA-N 0 0 434.370 4.221 50 0 IIAARN O=S(=O)(NCCNc1ncnc2scc(-c3ccccc3)c21)c1ccc(Cl)cc1 ZINC000008616663 556192658 /nfs/dbraw/zinc/19/26/58/556192658.db2.gz FLGVFGNIWNSWPJ-UHFFFAOYSA-N 0 0 444.969 4.402 50 0 IIAARN O=C(Nc1cccc(O)c1)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000008685598 556199971 /nfs/dbraw/zinc/19/99/71/556199971.db2.gz FGMQQTLUGPSKQV-QHCPKHFHSA-N 0 0 436.467 4.391 50 0 IIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008787860 556215303 /nfs/dbraw/zinc/21/53/03/556215303.db2.gz ACADVRBHPHPJCW-OAHLLOKOSA-N 0 0 426.505 4.419 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCn1ccnc1)occ3-c1ccccc1 ZINC000008791359 556216106 /nfs/dbraw/zinc/21/61/06/556216106.db2.gz ULRCZWZWBBOJGV-UHFFFAOYSA-N 0 0 441.487 4.460 50 0 biogenic IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816449 556217788 /nfs/dbraw/zinc/21/77/88/556217788.db2.gz QILLGFJNAYQXPV-KRWDZBQOSA-N 0 0 435.524 4.067 50 0 IIAARN CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000008915383 556232428 /nfs/dbraw/zinc/23/24/28/556232428.db2.gz APDVGRBZNXOVEU-WWMYMODYSA-N 0 0 438.421 4.227 50 0 IIAARN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000008915940 556232442 /nfs/dbraw/zinc/23/24/42/556232442.db2.gz JCGVLELORVLKMO-UDWIEESQSA-N 0 0 440.521 4.386 50 0 IIAARN CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21 ZINC000009129131 556248463 /nfs/dbraw/zinc/24/84/63/556248463.db2.gz AIJQQOGQZUXWSM-QGZVFWFLSA-N 0 0 428.735 4.381 50 0 IIAARN Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2c1C ZINC000009130621 556248825 /nfs/dbraw/zinc/24/88/25/556248825.db2.gz FJYDRRMRCFQSNC-UHFFFAOYSA-N 0 0 447.560 4.085 50 0 IIAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000009191568 556254161 /nfs/dbraw/zinc/25/41/61/556254161.db2.gz JORPBJDGYRLOIB-FQEVSTJZSA-N 0 0 437.565 4.335 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCc1cccc(Cl)c1)nnc2C ZINC000009224477 556258011 /nfs/dbraw/zinc/25/80/11/556258011.db2.gz UARPLSDXDLQCCK-UHFFFAOYSA-N 0 0 437.956 4.494 50 0 IIAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NC2CCCCC2)cc1 ZINC000009224587 556258672 /nfs/dbraw/zinc/25/86/72/556258672.db2.gz KIGGIDUKYTXCDQ-DEOSSOPVSA-N 0 0 431.536 4.181 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)c(C)c1)S2 ZINC000009237913 556264393 /nfs/dbraw/zinc/26/43/93/556264393.db2.gz PCMRZYRGDVQOMN-IAGOWNOFSA-N 0 0 444.358 4.055 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000009238556 556264644 /nfs/dbraw/zinc/26/46/44/556264644.db2.gz APPSRKCJERFABO-RBUKOAKNSA-N 0 0 443.960 4.263 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000009238607 556265014 /nfs/dbraw/zinc/26/50/14/556265014.db2.gz RLKHYSXLLPIVRX-RTBURBONSA-N 0 0 443.960 4.263 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239167 556265617 /nfs/dbraw/zinc/26/56/17/556265617.db2.gz ISIDTWMTQMWPBC-RBUKOAKNSA-N 0 0 443.960 4.209 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239611 556266375 /nfs/dbraw/zinc/26/63/75/556266375.db2.gz SVSREXVRCJBSMA-RTWAWAEBSA-N 0 0 437.569 4.199 50 0 IIAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1O ZINC000009259450 556267714 /nfs/dbraw/zinc/26/77/14/556267714.db2.gz ZSDONHJNLZMNCG-YBFXNURJSA-N 0 0 426.494 4.083 50 0 IIAARN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1 ZINC000009272163 556271088 /nfs/dbraw/zinc/27/10/88/556271088.db2.gz ARECINJCEDFZCY-UHFFFAOYSA-N 0 0 434.496 4.319 50 0 IIAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000009288480 556272744 /nfs/dbraw/zinc/27/27/44/556272744.db2.gz QQZPDVZAMSLVAN-GOSISDBHSA-N 0 0 449.551 4.139 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 ZINC000009295046 556274518 /nfs/dbraw/zinc/27/45/18/556274518.db2.gz CTOAFDODKIYFJE-MOPGFXCFSA-N 0 0 443.960 4.290 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccccn2)CO4)cc1OC ZINC000013690287 556279693 /nfs/dbraw/zinc/27/96/93/556279693.db2.gz BNYVMUKAFFPIJR-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009320999 556280611 /nfs/dbraw/zinc/28/06/11/556280611.db2.gz FWSYHJFRVCKBGJ-UHFFFAOYSA-N 0 0 446.816 4.474 50 0 IIAARN Brc1cncc(-c2nnc3sc(-c4ccccc4Br)nn32)c1 ZINC000013692442 556281999 /nfs/dbraw/zinc/28/19/99/556281999.db2.gz YLVXUQQBALNUDY-UHFFFAOYSA-N 0 0 437.120 4.440 50 0 IIAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000009328184 556282440 /nfs/dbraw/zinc/28/24/40/556282440.db2.gz IYCUYQIOWOZWAW-UHFFFAOYSA-N 0 0 449.363 4.069 50 0 IIAARN CC(=O)n1nc(C(F)(F)F)c2c1N[C@H]1C=CC(Br)=CC1=C2c1ccccc1 ZINC000009354526 556284632 /nfs/dbraw/zinc/28/46/32/556284632.db2.gz FFIVKDSGSKAAGS-HOCLYGCPSA-N 0 0 436.231 4.466 50 0 IIAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccnc4)c3N2)cc1OC ZINC000009411163 556288763 /nfs/dbraw/zinc/28/87/63/556288763.db2.gz JWRGWIDJVMEGML-MAUKXSAKSA-N 0 0 447.417 4.208 50 0 IIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@H](C)CCc3ccco3)cn(C3CC3)c21 ZINC000013722840 556291327 /nfs/dbraw/zinc/29/13/27/556291327.db2.gz RNBSIOIJHXCYDD-CYBMUJFWSA-N 0 0 430.451 4.310 50 0 IIAARN CCN(CC)C(=O)c1cnn2c1N[C@@H](c1ccc(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000009435581 556291490 /nfs/dbraw/zinc/29/14/90/556291490.db2.gz MIUFQIUOOJDZJW-PBHICJAKSA-N 0 0 426.439 4.043 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000009573983 556300104 /nfs/dbraw/zinc/30/01/04/556300104.db2.gz CHYQTIKLILURHU-UHFFFAOYSA-N 0 0 437.422 4.319 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000009592642 556301447 /nfs/dbraw/zinc/30/14/47/556301447.db2.gz BWIXZNIVZLMIPS-GOSISDBHSA-N 0 0 428.418 4.236 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2cccnc2)cc1 ZINC000009679604 556306122 /nfs/dbraw/zinc/30/61/22/556306122.db2.gz NXDNSSVDSBKENF-OAQYLSRUSA-N 0 0 430.489 4.460 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ncccc3c2=O)cc1 ZINC000009830307 556310740 /nfs/dbraw/zinc/31/07/40/556310740.db2.gz SNMPJUPWNWAYMJ-UHFFFAOYSA-N 0 0 430.533 4.187 50 0 IIAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3ncccc3c2=O)cc1 ZINC000009830412 556311008 /nfs/dbraw/zinc/31/10/08/556311008.db2.gz HIMNSZZBDVEAHB-UHFFFAOYSA-N 0 0 446.532 4.219 50 0 IIAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc4c(c3)NC(=O)CCS4)o2)cc1 ZINC000032745371 556315421 /nfs/dbraw/zinc/31/54/21/556315421.db2.gz DKQZCNRMRNUJQQ-LBPRGKRZSA-N 0 0 425.466 4.098 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000013839292 556317475 /nfs/dbraw/zinc/31/74/75/556317475.db2.gz VFZQBDASDCRXRL-UHFFFAOYSA-N 0 0 432.480 4.397 50 0 IIAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013843073 556317831 /nfs/dbraw/zinc/31/78/31/556317831.db2.gz OWNLWDBGYRKCQC-QMMMGPOBSA-N 0 0 425.696 4.091 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4cccc(C)c4C)c3)nn12 ZINC000010010337 556322058 /nfs/dbraw/zinc/32/20/58/556322058.db2.gz YUIIXDGMWWTXOY-UHFFFAOYSA-N 0 0 437.525 4.058 50 0 IIAARN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000032753555 556322835 /nfs/dbraw/zinc/32/28/35/556322835.db2.gz FKWNMYKTXOULHT-UHFFFAOYSA-N 0 0 428.558 4.108 50 0 IIAARN Cc1ccc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000010059173 556324073 /nfs/dbraw/zinc/32/40/73/556324073.db2.gz YUEBTIHHVBZPMJ-AREMUKBSSA-N 0 0 429.472 4.040 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000013880081 556325351 /nfs/dbraw/zinc/32/53/51/556325351.db2.gz CBAJBUVZLMPDRJ-OUKQBFOZSA-N 0 0 440.550 4.320 50 0 IIAARN Cc1sc2nc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)nc(N)c2c1C ZINC000032776954 556327170 /nfs/dbraw/zinc/32/71/70/556327170.db2.gz DDQRWMCOKACZGS-UHFFFAOYSA-N 0 0 438.525 4.242 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1Cl)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000013893618 556327932 /nfs/dbraw/zinc/32/79/32/556327932.db2.gz VIRQCGRWMYEMRG-HXUWFJFHSA-N 0 0 447.293 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CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000013944733 556341978 /nfs/dbraw/zinc/34/19/78/556341978.db2.gz OSQULFCIPMKJLW-MRXNPFEDSA-N 0 0 425.916 4.250 50 0 IIAARN CN(C)c1oc(COc2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccccc1 ZINC000011617258 556342809 /nfs/dbraw/zinc/34/28/09/556342809.db2.gz SCJXJXOFXJAJJM-UHFFFAOYSA-N 0 0 427.309 4.459 50 0 IIAARN CC(C)S(=O)(=O)c1ncc(CN2CCC[C@H]2c2nccs2)n1Cc1ccccc1F ZINC000011661751 556343595 /nfs/dbraw/zinc/34/35/95/556343595.db2.gz QNWBOXFYLPRILE-IBGZPJMESA-N 0 0 448.589 4.046 50 0 IIAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000011662553 556344064 /nfs/dbraw/zinc/34/40/64/556344064.db2.gz SHEZQGLRSXHNGH-FQEVSTJZSA-N 0 0 426.557 4.232 50 0 IIAARN CCCCN(Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC)Cc1ccccc1 ZINC000011664316 556345175 /nfs/dbraw/zinc/34/51/75/556345175.db2.gz KBQXUQHHOVFXRL-UHFFFAOYSA-N 0 0 435.634 4.152 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000011753525 556348460 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556387785 /nfs/dbraw/zinc/38/77/85/556387785.db2.gz XQHHOEOXGBZFGR-QGZVFWFLSA-N 0 0 440.569 4.280 50 0 IIAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000014199856 556390538 /nfs/dbraw/zinc/39/05/38/556390538.db2.gz RMUZHXJXBHGAKR-GOSISDBHSA-N 0 0 436.574 4.211 50 0 IIAARN O=C(Nc1ccccc1I)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014200652 556391437 /nfs/dbraw/zinc/39/14/37/556391437.db2.gz KRIYYJAAQOBRCG-AWEZNQCLSA-N 0 0 449.292 4.174 50 0 IIAARN O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000032818202 556393339 /nfs/dbraw/zinc/39/33/39/556393339.db2.gz BFKKADPFLZWPRR-UHFFFAOYSA-N 0 0 448.363 4.496 50 0 IIAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 ZINC000032819050 556395731 /nfs/dbraw/zinc/39/57/31/556395731.db2.gz QWOXEAVKVMHUHB-GOSISDBHSA-N 0 0 434.652 4.420 50 0 IIAARN COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000012074261 556396879 /nfs/dbraw/zinc/39/68/79/556396879.db2.gz YOBGXLQYJUQBCS-UHFFFAOYSA-N 0 0 437.475 4.152 50 0 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O=C(NCCc1c[nH]c2ccccc12)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032847775 556430299 /nfs/dbraw/zinc/43/02/99/556430299.db2.gz JJCVMDCQTJCYKL-UHFFFAOYSA-N 0 0 430.957 4.267 50 0 IIAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012995041 556430549 /nfs/dbraw/zinc/43/05/49/556430549.db2.gz HZTXEESVGDYESD-UHFFFAOYSA-N 0 0 439.943 4.408 50 0 IIAARN CSc1nc(C)c(CCC(=O)Nc2ccc(C)c(I)c2)c(C)n1 ZINC000012996263 556431291 /nfs/dbraw/zinc/43/12/91/556431291.db2.gz WFZXDRQUCBZCAN-UHFFFAOYSA-N 0 0 441.338 4.300 50 0 IIAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012997434 556431775 /nfs/dbraw/zinc/43/17/75/556431775.db2.gz OEVZYMYKJFZWLU-CYBMUJFWSA-N 0 0 449.736 4.248 50 0 IIAARN Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012997849 556431864 /nfs/dbraw/zinc/43/18/64/556431864.db2.gz XBXQBNQZGDHJSJ-UHFFFAOYSA-N 0 0 433.386 4.399 50 0 IIAARN C[C@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000032854153 556432205 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50 0 IIAARN Cc1ccc(-c2ccc(OS(=O)(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc2)cc1 ZINC000027940452 556435927 /nfs/dbraw/zinc/43/59/27/556435927.db2.gz IDORAZALTZDNFA-UHFFFAOYSA-N 0 0 436.938 4.487 50 0 IIAARN Cc1cccc(-n2c(Sc3nnnn3-c3ccccc3)nc3ccccc3c2=O)c1C ZINC000013015767 556437791 /nfs/dbraw/zinc/43/77/91/556437791.db2.gz JTKXHOORIJZRQQ-UHFFFAOYSA-N 0 0 426.505 4.129 50 0 IIAARN Cc1c(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)sc2[nH]c(C)nc(=O)c12 ZINC000013016359 556437975 /nfs/dbraw/zinc/43/79/75/556437975.db2.gz KAQQTHXYQVDBRJ-SECBINFHSA-N 0 0 432.958 4.393 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 ZINC000013016841 556438338 /nfs/dbraw/zinc/43/83/38/556438338.db2.gz GQTNMHNJYZSQGP-QMTMVMCOSA-N 0 0 425.554 4.493 50 0 IIAARN O=C(COc1ccc(C2SCCCS2)cc1)OCCCn1c(=O)[nH]c2ccccc21 ZINC000013017568 556438693 /nfs/dbraw/zinc/43/86/93/556438693.db2.gz LJKCDHMJVXBUEL-UHFFFAOYSA-N 0 0 444.578 4.211 50 0 IIAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)N(c2ccccc2)N1 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Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)cc12 ZINC000072277055 556457269 /nfs/dbraw/zinc/45/72/69/556457269.db2.gz QEJYJMDRAKMJGH-INIZCTEOSA-N 0 0 439.516 4.079 50 0 IIAARN CCCCN(C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)[C@@H](C)CC ZINC000013096841 556457602 /nfs/dbraw/zinc/45/76/02/556457602.db2.gz RKLKDTYBDWXPKY-RXFWQSSRSA-N 0 0 435.568 4.104 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3O)C2)s1 ZINC000028671838 556458498 /nfs/dbraw/zinc/45/84/98/556458498.db2.gz QLNXIAPWBKYMPN-HNNXBMFYSA-N 0 0 436.599 4.099 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2c3ccccc3nc2SC(F)F)c(C)c1 ZINC000014942156 556459385 /nfs/dbraw/zinc/45/93/85/556459385.db2.gz ZLNZKWAXCQODFC-UHFFFAOYSA-N 0 0 446.523 4.373 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000013108157 556461732 /nfs/dbraw/zinc/46/17/32/556461732.db2.gz ROMPXBBRKBMAFT-UHFFFAOYSA-N 0 0 438.867 4.371 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2ccncc2)c1 ZINC000013108401 556461992 /nfs/dbraw/zinc/46/19/92/556461992.db2.gz YPCFHVGGDXCJSA-UHFFFAOYSA-N 0 0 439.537 4.465 50 0 IIAARN Cc1nc(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)sc1CC(N)=O ZINC000028937618 556464601 /nfs/dbraw/zinc/46/46/01/556464601.db2.gz QZQGKBQUMWBRQL-VIFPVBQESA-N 0 0 448.620 4.359 50 0 IIAARN Cc1cc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccco4)CC3)cc2)ccc1Cl ZINC000013112933 556465856 /nfs/dbraw/zinc/46/58/56/556465856.db2.gz GZVNURPRVTVPKZ-UHFFFAOYSA-N 0 0 437.927 4.452 50 0 IIAARN COCc1ccc(C(=O)NCc2nc3ccccc3c(NCCCc3ccccc3)n2)o1 ZINC000014970767 556467053 /nfs/dbraw/zinc/46/70/53/556467053.db2.gz FFZLDGJQMDTSHC-UHFFFAOYSA-N 0 0 430.508 4.344 50 0 IIAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2ccco2)cc1OC ZINC000013116978 556469138 /nfs/dbraw/zinc/46/91/38/556469138.db2.gz XTSCTSYALJINKD-UHFFFAOYSA-N 0 0 431.492 4.181 50 0 IIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NC[C@@H]1COc2ccccc2O1 ZINC000013117058 556469189 /nfs/dbraw/zinc/46/91/89/556469189.db2.gz NZYPDIYZGGZOQR-MRXNPFEDSA-N 0 0 449.557 4.407 50 0 IIAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)NC(=O)CCS2 ZINC000029242482 556470583 /nfs/dbraw/zinc/47/05/83/556470583.db2.gz PVHJLSWJPYHPKA-UHFFFAOYSA-N 0 0 439.518 4.268 50 0 IIAARN NC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000029256445 556470927 /nfs/dbraw/zinc/47/09/27/556470927.db2.gz ROTMZTMEINPFAH-UHFFFAOYSA-N 0 0 438.528 4.003 50 0 IIAARN Cc1c([C@H](C)NC(=O)c2ccc3c(c2)OCC(=O)N3)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029293578 556471582 /nfs/dbraw/zinc/47/15/82/556471582.db2.gz NAAFRDBWAHGZID-LBPRGKRZSA-N 0 0 444.413 4.021 50 0 IIAARN COc1ccc(-n2c3ccccc3nc2SCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000032871026 556471986 /nfs/dbraw/zinc/47/19/86/556471986.db2.gz SGQUMAPTXWFJAP-UHFFFAOYSA-N 0 0 446.532 4.254 50 0 IIAARN COc1ccc2nc(NC(=O)CSc3nnc(NCc4ccco4)s3)sc2c1 ZINC000013120745 556472973 /nfs/dbraw/zinc/47/29/73/556472973.db2.gz MBSQODJFWIQVBA-UHFFFAOYSA-N 0 0 433.540 4.092 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NCc2ccco2)s1 ZINC000013121317 556474169 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425.510 4.034 50 0 IIAARN CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)/C=C/c2cccs2)C3)n1 ZINC000014995910 556478014 /nfs/dbraw/zinc/47/80/14/556478014.db2.gz ZMVDJNPQZTZFDC-MBVDDHJVSA-N 0 0 427.526 4.199 50 0 IIAARN Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)sc1CC(N)=O ZINC000029618106 556479033 /nfs/dbraw/zinc/47/90/33/556479033.db2.gz DOPATSONNAUVAH-UHFFFAOYSA-N 0 0 427.576 4.401 50 0 IIAARN O=C(c1ccccc1F)N1CCN(C(=O)c2ccccc2SCc2cscn2)CC1 ZINC000029648836 556479422 /nfs/dbraw/zinc/47/94/22/556479422.db2.gz GHUCDMBIMFNHID-UHFFFAOYSA-N 0 0 441.553 4.173 50 0 IIAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000029694380 556480262 /nfs/dbraw/zinc/48/02/62/556480262.db2.gz MBDVMQVQQONUJY-QFIPXVFZSA-N 0 0 427.907 4.139 50 0 IIAARN O=C(NCCn1ccnc1)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000015003502 556480815 /nfs/dbraw/zinc/48/08/15/556480815.db2.gz UTYORODUTJTOTI-UHFFFAOYSA-N 0 0 442.523 4.030 50 0 IIAARN CN1C[C@@H](c2ccccc2Cl)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013132776 556481056 /nfs/dbraw/zinc/48/10/56/556481056.db2.gz OXKPSTZIEWTELD-AFWDCEBSSA-N 0 0 444.918 4.478 50 0 IIAARN CCOc1ccc(C(=O)NCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OCC ZINC000013134441 556482404 /nfs/dbraw/zinc/48/24/04/556482404.db2.gz TWMGWGKWQQDQTM-UHFFFAOYSA-N 0 0 439.339 4.179 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)cc1 ZINC000013141180 556486360 /nfs/dbraw/zinc/48/63/60/556486360.db2.gz IWVSNPJEBLJBIL-UHFFFAOYSA-N 0 0 436.533 4.261 50 0 IIAARN NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1Cl ZINC000029981583 556487977 /nfs/dbraw/zinc/48/79/77/556487977.db2.gz NQTKLYFZEONPBY-IRXDYDNUSA-N 0 0 428.945 4.413 50 0 IIAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1ccc(Br)cc1F ZINC000013147585 556488669 /nfs/dbraw/zinc/48/86/69/556488669.db2.gz ZSJRYQIJXGPVIN-UHFFFAOYSA-N 0 0 435.076 4.368 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000032876523 556488842 /nfs/dbraw/zinc/48/88/42/556488842.db2.gz ANWOACLVFURWFD-SFHVURJKSA-N 0 0 444.560 4.010 50 0 IIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000013148954 556490322 /nfs/dbraw/zinc/49/03/22/556490322.db2.gz GYCLNAPLPCYPBA-LJQANCHMSA-N 0 0 440.547 4.039 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000030135889 556490992 /nfs/dbraw/zinc/49/09/92/556490992.db2.gz XGVHPADOPOKBFM-UHFFFAOYSA-N 0 0 444.641 4.458 50 0 IIAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000030225875 556492119 /nfs/dbraw/zinc/49/21/19/556492119.db2.gz UXFUESPCPCINSC-UHFFFAOYSA-N 0 0 449.532 4.436 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000013163341 556493331 /nfs/dbraw/zinc/49/33/31/556493331.db2.gz NYPVWVCZLVCLEN-UHFFFAOYSA-N 0 0 441.534 4.091 50 0 IIAARN O=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000030392390 556493950 /nfs/dbraw/zinc/49/39/50/556493950.db2.gz FYXRWONLHQDLGI-UHFFFAOYSA-N 0 0 436.527 4.312 50 0 IIAARN CN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000013163864 556494769 /nfs/dbraw/zinc/49/47/69/556494769.db2.gz UTERPTKGIAGRML-MRXNPFEDSA-N 0 0 437.496 4.063 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)CSc2ccccc21 ZINC000030476686 556495046 /nfs/dbraw/zinc/49/50/46/556495046.db2.gz PJFFRKVOLHPSCQ-UHFFFAOYSA-N 0 0 438.574 4.424 50 0 IIAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000013164699 556497004 /nfs/dbraw/zinc/49/70/04/556497004.db2.gz ZQHCMWQQPQEUEZ-UHFFFAOYSA-N 0 0 428.491 4.041 50 0 IIAARN C/C=C(\C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)/C(C)=C/C ZINC000013301711 556501949 /nfs/dbraw/zinc/50/19/49/556501949.db2.gz PNTWXEIQXBRCPS-ODRFPHDWSA-N 0 0 426.465 4.393 50 0 biogenic IIAARN COC(=O)[C@](C)(c1ccc(Br)cc1)N(C)C(=O)c1csc(-c2ccco2)n1 ZINC000072292704 556502046 /nfs/dbraw/zinc/50/20/46/556502046.db2.gz CUVYGNPNEGCCKY-IBGZPJMESA-N 0 0 449.326 4.326 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000013304340 556502033 /nfs/dbraw/zinc/50/20/33/556502033.db2.gz QYLCBHOVFVZLNL-UHFFFAOYSA-N 0 0 438.530 4.478 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)Nc2ccccc2)c(C)c1 ZINC000004554170 556502853 /nfs/dbraw/zinc/50/28/53/556502853.db2.gz VGKWIBYTZVUFED-NRFANRHFSA-N 0 0 429.586 4.367 50 0 IIAARN COc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013366435 556503472 /nfs/dbraw/zinc/50/34/72/556503472.db2.gz KVUVRCUCGXMJTC-UHFFFAOYSA-N 0 0 432.480 4.315 50 0 IIAARN COc1cccc(OCCNC(=O)C(=O)c2c3ccccc3n(C)c2-c2ccccc2)c1 ZINC000015109173 556504496 /nfs/dbraw/zinc/50/44/96/556504496.db2.gz WHNGKLWFOWADEQ-UHFFFAOYSA-N 0 0 428.488 4.232 50 0 IIAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000032879742 556505252 /nfs/dbraw/zinc/50/52/52/556505252.db2.gz WHMBWIGSBDZYEE-XMHCIUCPSA-N 0 0 446.334 4.170 50 0 IIAARN COc1cc(C(=O)Nc2cccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c2)cc(OC)c1OC ZINC000030836472 556507535 /nfs/dbraw/zinc/50/75/35/556507535.db2.gz RDITYDCIZGRDLR-HOTGVXAUSA-N 0 0 426.513 4.368 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccccc3Cn3ccnc3)c12 ZINC000032882552 556509043 /nfs/dbraw/zinc/50/90/43/556509043.db2.gz VSXZQUSSKVTNQW-UHFFFAOYSA-N 0 0 429.505 4.435 50 0 IIAARN COc1cc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1 ZINC000032882941 556509379 /nfs/dbraw/zinc/50/93/79/556509379.db2.gz SBVZNBVKOBUEIU-UHFFFAOYSA-N 0 0 425.525 4.036 50 0 IIAARN CCS(=O)(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000032883852 556509662 /nfs/dbraw/zinc/50/96/62/556509662.db2.gz FPOBNXNTDGTWDM-UHFFFAOYSA-N 0 0 425.535 4.038 50 0 IIAARN CC(C)[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000032885494 556509771 /nfs/dbraw/zinc/50/97/71/556509771.db2.gz CYUOYWHSYBRPRG-QFIPXVFZSA-N 0 0 444.560 4.386 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000013513113 556510832 /nfs/dbraw/zinc/51/08/32/556510832.db2.gz NMYGXEMYSGVVTC-UHFFFAOYSA-N 0 0 428.930 4.170 50 0 IIAARN COc1cc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O ZINC000013547808 556514197 /nfs/dbraw/zinc/51/41/97/556514197.db2.gz ALYOKVANRLSMPO-UHFFFAOYSA-N 0 0 448.588 4.492 50 0 IIAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)n2c3ccccc3nc21 ZINC000030937517 556515315 /nfs/dbraw/zinc/51/53/15/556515315.db2.gz UZUAIXFSFCSJJF-JOCHJYFZSA-N 0 0 428.492 4.143 50 0 IIAARN CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 ZINC000013557615 556517554 /nfs/dbraw/zinc/51/75/54/556517554.db2.gz NQOGDQGVSQGBNI-IBGZPJMESA-N 0 0 429.900 4.018 50 0 IIAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(I)c1 ZINC000015304969 556517622 /nfs/dbraw/zinc/51/76/22/556517622.db2.gz ZUPUSGXBBUFULL-MRXNPFEDSA-N 0 0 437.281 4.076 50 0 IIAARN O=C(CCNc1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000030952927 556517926 /nfs/dbraw/zinc/51/79/26/556517926.db2.gz NHXNNEQSPAAFHL-GAPPKZSKSA-N 0 0 435.568 4.201 50 0 IIAARN O=C(NCCSCc1ccco1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013564827 556518471 /nfs/dbraw/zinc/51/84/71/556518471.db2.gz KYTWMNYDSRKIKU-JOCHJYFZSA-N 0 0 442.562 4.310 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074600 556519187 /nfs/dbraw/zinc/51/91/87/556519187.db2.gz XAJVOFBVBLBFLN-UHFFFAOYSA-N 0 0 435.833 4.318 50 0 IIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCn1c2ccccc2oc1=O ZINC000032891678 556519639 /nfs/dbraw/zinc/51/96/39/556519639.db2.gz NQRGDVXXQLRRKJ-GOSISDBHSA-N 0 0 443.503 4.457 50 0 IIAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nc2ncccc2c1=O ZINC000032893488 556521266 /nfs/dbraw/zinc/52/12/66/556521266.db2.gz YWSDOMZDMZNEJV-OAHLLOKOSA-N 0 0 436.537 4.163 50 0 IIAARN CC(=O)N1CCc2cc(S(=O)(=O)Oc3cc4sc(C)nc4c4sccc43)ccc21 ZINC000015327275 556521818 /nfs/dbraw/zinc/52/18/18/556521818.db2.gz HHEZUWRNZJFFMF-UHFFFAOYSA-N 0 0 444.559 4.496 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C12CCCC2 ZINC000032073628 556528502 /nfs/dbraw/zinc/52/85/02/556528502.db2.gz CPHKSXYZLCNIDB-DEOSSOPVSA-N 0 0 445.563 4.025 50 0 IIAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1 ZINC000013590894 556529052 /nfs/dbraw/zinc/52/90/52/556529052.db2.gz KWTVZVHIEDZXNN-GMMLXXJASA-N 0 0 437.495 4.225 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000032900636 556529756 /nfs/dbraw/zinc/52/97/56/556529756.db2.gz CTSKEWUCNGDPQF-MRXNPFEDSA-N 0 0 432.455 4.461 50 0 IIAARN CCOC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccc(C)cc1 ZINC000013609554 556534081 /nfs/dbraw/zinc/53/40/81/556534081.db2.gz YPKDVQBYFRFHRT-UHFFFAOYSA-N 0 0 433.327 4.112 50 0 IIAARN COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000013618762 556535816 /nfs/dbraw/zinc/53/58/16/556535816.db2.gz VCSQRNKFRJLWER-HXUWFJFHSA-N 0 0 425.916 4.231 50 0 IIAARN CNc1nnc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)s1 ZINC000015589978 556536543 /nfs/dbraw/zinc/53/65/43/556536543.db2.gz JUEUKQLGQKDGRI-CQSZACIVSA-N 0 0 439.522 4.389 50 0 IIAARN COc1ccc(-c2nc(CC(=O)Nc3ccccc3N3CCCC3=O)cs2)cc1OC ZINC000015614981 556538261 /nfs/dbraw/zinc/53/82/61/556538261.db2.gz DLKTXMPKVAPVFL-UHFFFAOYSA-N 0 0 437.521 4.135 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c(=O)oc2c1 ZINC000032901945 556538294 /nfs/dbraw/zinc/53/82/94/556538294.db2.gz QPVNHWCPQPWOPZ-UHFFFAOYSA-N 0 0 443.503 4.235 50 0 IIAARN CC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)c2cc(C3CC3)nc3onc(C)c32)nc1C ZINC000013642144 556542664 /nfs/dbraw/zinc/54/26/64/556542664.db2.gz QVFDFDYVIMIEQW-OAHLLOKOSA-N 0 0 440.525 4.202 50 0 IIAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904404 556543975 /nfs/dbraw/zinc/54/39/75/556543975.db2.gz FUZQLSPGYCNVOT-OAHLLOKOSA-N 0 0 437.450 4.001 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000013656210 556546343 /nfs/dbraw/zinc/54/63/43/556546343.db2.gz LCUFDRWCPBCEDQ-HXUWFJFHSA-N 0 0 437.971 4.351 50 0 IIAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4cc(F)ccc4F)CC3)C2=O)c1 ZINC000064989058 556547023 /nfs/dbraw/zinc/54/70/23/556547023.db2.gz XIAXYSRWMDTVRJ-UHFFFAOYSA-N 0 0 428.483 4.207 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)s1 ZINC000032721718 556547256 /nfs/dbraw/zinc/54/72/56/556547256.db2.gz HQTXRHNXNLWOMC-UHFFFAOYSA-N 0 0 434.496 4.403 50 0 IIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000072303323 556547390 /nfs/dbraw/zinc/54/73/90/556547390.db2.gz GAKRHKARDSCTTB-NJDAHSKKSA-N 0 0 449.938 4.201 50 0 IIAARN CC(=O)N1C[C@H](C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)Oc2ccccc21 ZINC000032727318 556548404 /nfs/dbraw/zinc/54/84/04/556548404.db2.gz RMRJQAZUJBJWNP-QFQXNSOFSA-N 0 0 439.515 4.230 50 0 IIAARN O=C(NC[C@@](O)(Cc1ccccc1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1 ZINC000072304403 556548494 /nfs/dbraw/zinc/54/84/94/556548494.db2.gz WHQWBBUNIVWYQV-MHZLTWQESA-N 0 0 428.532 4.064 50 0 IIAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4cccc(C)c4C)CC3)cc2s1 ZINC000032959645 556549078 /nfs/dbraw/zinc/54/90/78/556549078.db2.gz WEZQCQUNWOWMOY-UHFFFAOYSA-N 0 0 436.581 4.153 50 0 IIAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(-n2cncn2)nc1 ZINC000032905589 556549146 /nfs/dbraw/zinc/54/91/46/556549146.db2.gz VVDNGHZGEIOMAM-UHFFFAOYSA-N 0 0 431.308 4.269 50 0 IIAARN O=C(NCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl ZINC000015768025 556549658 /nfs/dbraw/zinc/54/96/58/556549658.db2.gz CVVPFXSKJGVYHE-UDWIEESQSA-N 0 0 434.879 4.156 50 0 IIAARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1ccccc1 ZINC000032998421 556552504 /nfs/dbraw/zinc/55/25/04/556552504.db2.gz NKAXERQOZBVGKS-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 biogenic IIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3c(C)noc3C)cc2c1C ZINC000033086953 556553917 /nfs/dbraw/zinc/55/39/17/556553917.db2.gz PDQHQGKWJYPXMM-KRWDZBQOSA-N 0 0 432.498 4.049 50 0 IIAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3c(C)noc3CC)cc2c1C ZINC000033087047 556553952 /nfs/dbraw/zinc/55/39/52/556553952.db2.gz BAAVCEIPGCPNMV-KRWDZBQOSA-N 0 0 446.525 4.303 50 0 IIAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)NCc4cccc(Br)c4)C3)c2c1C ZINC000032960096 556555978 /nfs/dbraw/zinc/55/59/78/556555978.db2.gz GTSBASJBYXNPKL-INIZCTEOSA-N 0 0 443.345 4.135 50 0 IIAARN Cc1c(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000033258106 556557404 /nfs/dbraw/zinc/55/74/04/556557404.db2.gz ONJOVWVERKBEEF-LJQANCHMSA-N 0 0 430.483 4.444 50 0 IIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000033274174 556558230 /nfs/dbraw/zinc/55/82/30/556558230.db2.gz VVZUQRIJFDGMME-NSHDSACASA-N 0 0 448.319 4.475 50 0 IIAARN Cc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1 ZINC000033274446 556558433 /nfs/dbraw/zinc/55/84/33/556558433.db2.gz SOYGIJNACVJSMH-UHFFFAOYSA-N 0 0 441.466 4.101 50 0 IIAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000033274602 556558839 /nfs/dbraw/zinc/55/88/39/556558839.db2.gz MFYZNYBDGGUVOO-UHFFFAOYSA-N 0 0 434.561 4.186 50 0 IIAARN Cc1cc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)nc(C(C)C)n1 ZINC000032907407 556559090 /nfs/dbraw/zinc/55/90/90/556559090.db2.gz WQLYLMASKVKTEL-UHFFFAOYSA-N 0 0 449.580 4.185 50 0 IIAARN COc1ccc(Br)cc1[C@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000072307058 556561422 /nfs/dbraw/zinc/56/14/22/556561422.db2.gz USOBOBZTFKRWDH-OAHLLOKOSA-N 0 0 443.219 4.270 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC000072307501 556562529 /nfs/dbraw/zinc/56/25/29/556562529.db2.gz WWKKYUVAEJJJHQ-QGZVFWFLSA-N 0 0 429.489 4.441 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)NCCc4ccccc4Cl)C3)c2c1C ZINC000032960406 556567492 /nfs/dbraw/zinc/56/74/92/556567492.db2.gz KFQUTYZVLUWXHJ-SFHVURJKSA-N 0 0 426.948 4.377 50 0 IIAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(Oc3ccccc3C(N)=O)c2)no1 ZINC000072309383 556571551 /nfs/dbraw/zinc/57/15/51/556571551.db2.gz XMZCUUHMDMCWQV-UHFFFAOYSA-N 0 0 444.447 4.101 50 0 IIAARN COc1cc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc2sc(NC(C)=O)nc21 ZINC000032961298 556572155 /nfs/dbraw/zinc/57/21/55/556572155.db2.gz HGSYPDWUFKXUHC-UHFFFAOYSA-N 0 0 433.493 4.004 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1OC ZINC000000677442 556573091 /nfs/dbraw/zinc/57/30/91/556573091.db2.gz OUXDLZJLRMVUPD-UHFFFAOYSA-N 0 0 443.385 4.080 50 0 IIAARN S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCSCC1 ZINC000016212387 556575394 /nfs/dbraw/zinc/57/53/94/556575394.db2.gz VAPAECBRENIUAE-UHFFFAOYSA-N 0 0 444.589 4.499 50 0 IIAARN O=C(Cc1csc(-c2nc[nH]n2)n1)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310795 556576999 /nfs/dbraw/zinc/57/69/99/556576999.db2.gz PHGOXPWGUWFEKY-LBPRGKRZSA-N 0 0 436.337 4.336 50 0 IIAARN Cc1cccn2cc(COc3ccccc3C(=O)NCc3nc4c(s3)CCCC4)nc12 ZINC000072309911 556577560 /nfs/dbraw/zinc/57/75/60/556577560.db2.gz JPCKXZXWVSZBOR-UHFFFAOYSA-N 0 0 432.549 4.487 50 0 IIAARN O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)ccc1Cl ZINC000072309859 556577614 /nfs/dbraw/zinc/57/76/14/556577614.db2.gz OHMINNMSGDLAMS-NQIIRXRSSA-N 0 0 427.932 4.352 50 0 IIAARN CC(C)C[C@]1(c2ccccc2)NC(=O)N(CN(C)CCOc2ccc(Cl)cc2)C1=O ZINC000016046884 556580321 /nfs/dbraw/zinc/58/03/21/556580321.db2.gz IBBQZNSIQDMLMX-HSZRJFAPSA-N 0 0 429.948 4.102 50 0 IIAARN CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000016086677 556582147 /nfs/dbraw/zinc/58/21/47/556582147.db2.gz KAIDNWWKXWEZBA-UHFFFAOYSA-N 0 0 435.851 4.341 50 0 IIAARN COc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000016115764 556584171 /nfs/dbraw/zinc/58/41/71/556584171.db2.gz HVPAJODVSCNOEQ-CPNJWEJPSA-N 0 0 441.281 4.460 50 0 IIAARN CCCCCC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C[C@H]1CCCO1 ZINC000034922307 556586847 /nfs/dbraw/zinc/58/68/47/556586847.db2.gz BGFPTHIDWMMFAM-LJQANCHMSA-N 0 0 446.544 4.455 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cc(OC)cc(OC)c2)cc1 ZINC000036247989 556595294 /nfs/dbraw/zinc/59/52/94/556595294.db2.gz QAEXGGNPOCOCBU-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000016331849 556600867 /nfs/dbraw/zinc/60/08/67/556600867.db2.gz NFAOTJYZUIITFM-ZDUSSCGKSA-N 0 0 430.555 4.065 50 0 IIAARN COc1ccc(CCNC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000016346541 556601451 /nfs/dbraw/zinc/60/14/51/556601451.db2.gz GVFYBTGPQJJLNF-UHFFFAOYSA-N 0 0 440.613 4.355 50 0 IIAARN CCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000016383050 556604093 /nfs/dbraw/zinc/60/40/93/556604093.db2.gz VXJIQNAKFXRBOU-UHFFFAOYSA-N 0 0 440.521 4.171 50 0 IIAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2cc(C)cc(C)c2)CC1 ZINC000016400812 556605833 /nfs/dbraw/zinc/60/58/33/556605833.db2.gz VAOSUGMQXZTMOA-UHFFFAOYSA-N 0 0 429.948 4.033 50 0 IIAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 ZINC000016425073 556606280 /nfs/dbraw/zinc/60/62/80/556606280.db2.gz HTKYQOLCAGVVTJ-XMMPIXPASA-N 0 0 443.572 4.375 50 0 IIAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000032986696 556606485 /nfs/dbraw/zinc/60/64/85/556606485.db2.gz YOXOLRQKSUPFKP-UHFFFAOYSA-N 0 0 435.499 4.182 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000032987305 556607237 /nfs/dbraw/zinc/60/72/37/556607237.db2.gz BDYWURDCFNYLPV-HNNXBMFYSA-N 0 0 426.567 4.209 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c1C ZINC000032992726 556609527 /nfs/dbraw/zinc/60/95/27/556609527.db2.gz NNTYPIZZTVBCPX-UHFFFAOYSA-N 0 0 444.484 4.018 50 0 IIAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000037867405 556610204 /nfs/dbraw/zinc/61/02/04/556610204.db2.gz RJNLVVKANFGPEU-UHFFFAOYSA-N 0 0 436.459 4.149 50 0 IIAARN COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000016475013 556610193 /nfs/dbraw/zinc/61/01/93/556610193.db2.gz RNAGFBJUCCXHBC-CYBMUJFWSA-N 0 0 443.352 4.041 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCc2cccc(Cl)c2)s1 ZINC000032995336 556610449 /nfs/dbraw/zinc/61/04/49/556610449.db2.gz CCRMYFGVOHFHTC-UHFFFAOYSA-N 0 0 428.945 4.391 50 0 IIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1cccc(Cl)c1 ZINC000032995398 556611229 /nfs/dbraw/zinc/61/12/29/556611229.db2.gz KSOBHCUOJBLEOS-UHFFFAOYSA-N 0 0 432.908 4.222 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c(OC)c1 ZINC000038651736 556615270 /nfs/dbraw/zinc/61/52/70/556615270.db2.gz QPOWMYIVCVIZKO-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN CN(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1Br ZINC000016562696 556615314 /nfs/dbraw/zinc/61/53/14/556615314.db2.gz IVFJVFONLFHRHT-UHFFFAOYSA-N 0 0 447.192 4.117 50 0 IIAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(F)c3)n2)cc1NC(=O)C(C)C ZINC000016625643 556618607 /nfs/dbraw/zinc/61/86/07/556618607.db2.gz QFTUPRTWYGUTLL-INIZCTEOSA-N 0 0 436.487 4.152 50 0 IIAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)c(Cl)c3)n2)ccc1C ZINC000016652610 556620982 /nfs/dbraw/zinc/62/09/82/556620982.db2.gz PXXUKNNOBOKVQU-OAHLLOKOSA-N 0 0 438.915 4.339 50 0 IIAARN COc1ccccc1[C@H]1CN(CC(=O)NCc2cccc(F)c2F)Cc2ccccc2O1 ZINC000039413275 556628896 /nfs/dbraw/zinc/62/88/96/556628896.db2.gz SKJRQVCPRJUNMF-HSZRJFAPSA-N 0 0 438.474 4.226 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@@H]4OC[C@@H]5CCCCN5C4=O)cc3)sc2c1 ZINC000033768674 556631341 /nfs/dbraw/zinc/63/13/41/556631341.db2.gz ISRSGVWJLUAGKK-ICSRJNTNSA-N 0 0 435.549 4.380 50 0 IIAARN CSc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000016732039 556631678 /nfs/dbraw/zinc/63/16/78/556631678.db2.gz TZDBEOMQHZLIMI-RLFYNMQTSA-N 0 0 444.862 4.166 50 0 IIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1C ZINC000016733733 556632520 /nfs/dbraw/zinc/63/25/20/556632520.db2.gz FPWDFNWLBLZRLC-ABSDTBQOSA-N 0 0 444.597 4.376 50 0 IIAARN CCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC ZINC000016735647 556633098 /nfs/dbraw/zinc/63/30/98/556633098.db2.gz PSANGXKELMHPQG-YLEGLNDPSA-N 0 0 447.560 4.365 50 0 IIAARN COc1cccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)N1N=C(c3cccnc3)C[C@H]21 ZINC000016739445 556634240 /nfs/dbraw/zinc/63/42/40/556634240.db2.gz HQQOPEAVYMIZDY-KBMIEXCESA-N 0 0 447.491 4.358 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)NCc3ccccc3)C2)cc1 ZINC000097938710 556634930 /nfs/dbraw/zinc/63/49/30/556634930.db2.gz LYLINATUQAJYGO-HXUWFJFHSA-N 0 0 427.508 4.264 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016752784 556638069 /nfs/dbraw/zinc/63/80/69/556638069.db2.gz PCXIKGLBOXGAHE-KRWDZBQOSA-N 0 0 447.940 4.233 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)coc2c1 ZINC000016753794 556638749 /nfs/dbraw/zinc/63/87/49/556638749.db2.gz DYEVKJCKOMEYDO-MRXNPFEDSA-N 0 0 438.549 4.381 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000037575249 556643229 /nfs/dbraw/zinc/64/32/29/556643229.db2.gz QBJPAHITKWEPKQ-INIZCTEOSA-N 0 0 441.247 4.137 50 0 IIAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000037556101 556644962 /nfs/dbraw/zinc/64/49/62/556644962.db2.gz VXZRGJSYKXBDSQ-UHFFFAOYSA-N 0 0 428.532 4.243 50 0 IIAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 ZINC000037556091 556645004 /nfs/dbraw/zinc/64/50/04/556645004.db2.gz KGGHLOYNNNTSIK-VWLOTQADSA-N 0 0 428.532 4.371 50 0 IIAARN CC(=O)N[C@H](CC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000032922323 556645016 /nfs/dbraw/zinc/64/50/16/556645016.db2.gz JIIVXCJSKWDZDF-QGZVFWFLSA-N 0 0 442.821 4.108 50 0 IIAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NC[C@@H]1CCCO1 ZINC000037600831 556646201 /nfs/dbraw/zinc/64/62/01/556646201.db2.gz HNWKOZHCIQOMSN-QFIPXVFZSA-N 0 0 434.561 4.433 50 0 IIAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)c1 ZINC000016846963 556647526 /nfs/dbraw/zinc/64/75/26/556647526.db2.gz CEMUKRWYGVIEEX-UHFFFAOYSA-N 0 0 426.523 4.302 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)Nc3cccc(F)c3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726615 556647626 /nfs/dbraw/zinc/64/76/26/556647626.db2.gz XDVQFLFSAWBBIK-AWEZNQCLSA-N 0 0 441.553 4.198 50 0 IIAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)=O)c4)nccn3n2)cc1 ZINC000016890816 556648153 /nfs/dbraw/zinc/64/81/53/556648153.db2.gz SIFRTDZSSHFWIV-UHFFFAOYSA-N 0 0 432.505 4.338 50 0 IIAARN O=c1c2ccccc2c(-c2nc(-c3ccncc3)no2)nn1-c1cccc(Br)c1 ZINC000038486463 556648452 /nfs/dbraw/zinc/64/84/52/556648452.db2.gz AGNSKGGIIFERKU-UHFFFAOYSA-N 0 0 446.264 4.260 50 0 IIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC000016903634 556648835 /nfs/dbraw/zinc/64/88/35/556648835.db2.gz RQMJSPNIEJPIDC-UXHICEINSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903673 556649056 /nfs/dbraw/zinc/64/90/56/556649056.db2.gz UCWDPWGUYZPGIX-WOJBJXKFSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903650 556649078 /nfs/dbraw/zinc/64/90/78/556649078.db2.gz NVUQXGZDKFTPTA-UXHICEINSA-N 0 0 435.568 4.207 50 0 IIAARN C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)[C@H]2CCCC[C@@H]12 ZINC000032922968 556649141 /nfs/dbraw/zinc/64/91/41/556649141.db2.gz CXWBEBOGJWFBRM-DKLXNKCPSA-N 0 0 444.641 4.003 50 0 IIAARN COc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000016960332 556651093 /nfs/dbraw/zinc/65/10/93/556651093.db2.gz RKZVESWUFJSKPN-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN COc1ccc(NC(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1OC ZINC000011769930 556654467 /nfs/dbraw/zinc/65/44/67/556654467.db2.gz IPPRQMZFHIWSRU-UHFFFAOYSA-N 0 0 436.493 4.393 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC000033005322 556654962 /nfs/dbraw/zinc/65/49/62/556654962.db2.gz DNLNXIGZUQABKQ-RXVVDRJESA-N 0 0 442.943 4.003 50 0 IIAARN CSc1ccc(CNC(=O)c2ccc(Cn3c4ccccc4nc(C)c3=O)cc2)cc1 ZINC000033005919 556655248 /nfs/dbraw/zinc/65/52/48/556655248.db2.gz IUUUPHODUNMFLT-UHFFFAOYSA-N 0 0 429.545 4.405 50 0 IIAARN Cc1ccc2nc(NC(=O)CCCSc3ccc(NC(=O)C4CC4)nn3)sc2c1 ZINC000011793933 556656245 /nfs/dbraw/zinc/65/62/45/556656245.db2.gz JTWOIXUEQMSAEE-UHFFFAOYSA-N 0 0 427.555 4.254 50 0 IIAARN COc1cc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc(OC)c1OC ZINC000011834976 556659419 /nfs/dbraw/zinc/65/94/19/556659419.db2.gz DYSNMWZVQXDZHH-UHFFFAOYSA-N 0 0 447.538 4.054 50 0 IIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cnn(C)c1C ZINC000017096103 556659715 /nfs/dbraw/zinc/65/97/15/556659715.db2.gz BXAUNSPUCHJESL-UHFFFAOYSA-N 0 0 428.583 4.463 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(SCC(=O)NCc2ccccc2Cl)s1 ZINC000033012008 556660446 /nfs/dbraw/zinc/66/04/46/556660446.db2.gz WRDXJBWULPGTPZ-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2F)n1 ZINC000011855677 556662034 /nfs/dbraw/zinc/66/20/34/556662034.db2.gz WYNSEGFYBVKTJL-UHFFFAOYSA-N 0 0 441.463 4.338 50 0 IIAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 ZINC000043726778 556664598 /nfs/dbraw/zinc/66/45/98/556664598.db2.gz IKIRQWQLCVIEQX-IVAOSVALSA-N 0 0 434.923 4.471 50 0 IIAARN COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc(OC)c1OC ZINC000043744307 556664925 /nfs/dbraw/zinc/66/49/25/556664925.db2.gz JACDSQRJSBEBLT-UHFFFAOYSA-N 0 0 436.443 4.080 50 0 IIAARN CCOC(=O)N1CCC(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000011866132 556665706 /nfs/dbraw/zinc/66/57/06/556665706.db2.gz UNQAMNXAFANPNG-UHFFFAOYSA-N 0 0 442.368 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CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000059058304 556794550 /nfs/dbraw/zinc/79/45/50/556794550.db2.gz ZWCBLQJXKRJCEY-MRXNPFEDSA-N 0 0 431.554 4.301 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)C1 ZINC000059265653 556796741 /nfs/dbraw/zinc/79/67/41/556796741.db2.gz MCPRCOTUGVTBCN-IYBDPMFKSA-N 0 0 448.535 4.224 50 0 IIAARN Cc1cccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@H]2CCCO2)n1 ZINC000059331457 556797978 /nfs/dbraw/zinc/79/79/78/556797978.db2.gz XDRGGFXZBHKZON-JOCHJYFZSA-N 0 0 437.613 4.393 50 0 IIAARN Cc1ccc(C(=O)N2CCCCC2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001954014 556798016 /nfs/dbraw/zinc/79/80/16/556798016.db2.gz XBIXJVHSFZGOOW-UHFFFAOYSA-N 0 0 437.927 4.052 50 0 IIAARN COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000011197157 556798202 /nfs/dbraw/zinc/79/82/02/556798202.db2.gz BKKFDBSHPMAHLV-UHFFFAOYSA-N 0 0 444.560 4.394 50 0 IIAARN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC(C)C)cc1 ZINC000002054276 556798464 /nfs/dbraw/zinc/79/84/64/556798464.db2.gz IFMILDVXBOBYNT-KGENOOAVSA-N 0 0 433.464 4.459 50 0 IIAARN CNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000059421767 556800555 /nfs/dbraw/zinc/80/05/55/556800555.db2.gz ZXAUEICGPOJETO-UHFFFAOYSA-N 0 0 439.928 4.271 50 0 IIAARN Cn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc(OC(F)F)cc1)CCCC3 ZINC000002626051 556800768 /nfs/dbraw/zinc/80/07/68/556800768.db2.gz QBVJXSHBFKGOAX-UHFFFAOYSA-N 0 0 436.505 4.450 50 0 IIAARN O=C(Nc1ccc(Br)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000003251531 556805157 /nfs/dbraw/zinc/80/51/57/556805157.db2.gz NJOQUCDTYZHMKQ-GOSISDBHSA-N 0 0 425.282 4.248 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000003228852 556806010 /nfs/dbraw/zinc/80/60/10/556806010.db2.gz PNKLNSCYRIOAOM-UHFFFAOYSA-N 0 0 430.460 4.381 50 0 IIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000003264263 556807350 /nfs/dbraw/zinc/80/73/50/556807350.db2.gz XCRPIFQUFTYIRA-UHFFFAOYSA-N 0 0 431.444 4.277 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000003324873 556810416 /nfs/dbraw/zinc/81/04/16/556810416.db2.gz QGHCBOUOAPQERZ-PKNBQFBNSA-N 0 0 442.581 4.447 50 0 IIAARN Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCN1CCOCC1 ZINC000021798072 556815671 /nfs/dbraw/zinc/81/56/71/556815671.db2.gz LYPICRLTPXBDQD-UHFFFAOYSA-N 0 0 433.943 4.485 50 0 IIAARN O=C(Oc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003550198 556817351 /nfs/dbraw/zinc/81/73/51/556817351.db2.gz CGRZEVOACCBWKJ-UHFFFAOYSA-N 0 0 438.343 4.233 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067851 556819987 /nfs/dbraw/zinc/81/99/87/556819987.db2.gz FPZNVUFJYFNXRY-JOCHJYFZSA-N 0 0 443.503 4.378 50 0 IIAARN Cc1ccc2nc(COc3ccccc3NC(=O)COc3ccc(Cl)cc3)cc(=O)n2c1 ZINC000033068124 556820571 /nfs/dbraw/zinc/82/05/71/556820571.db2.gz JGJZBNHGJJYIBQ-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCc2ccco2)c1 ZINC000064817023 556827718 /nfs/dbraw/zinc/82/77/18/556827718.db2.gz UOMFYHAZGSBIOM-UHFFFAOYSA-N 0 0 436.537 4.408 50 0 IIAARN COc1cc(OC)cc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc43)n2)c1 ZINC000064950206 556829714 /nfs/dbraw/zinc/82/97/14/556829714.db2.gz UPKKEUBIQMDOBK-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000065003180 556831470 /nfs/dbraw/zinc/83/14/70/556831470.db2.gz OQSVOCCTISDOPY-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C)[C@H]1c1ccc(OC)cc1 ZINC000019627294 556831928 /nfs/dbraw/zinc/83/19/28/556831928.db2.gz PYZKVORSSGYYTD-YADARESESA-N 0 0 440.540 4.349 50 0 IIAARN COc1ccc(Oc2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc2)cc1 ZINC000065005234 556831983 /nfs/dbraw/zinc/83/19/83/556831983.db2.gz XHPPDJYDCIUNNZ-UHFFFAOYSA-N 0 0 437.477 4.016 50 0 IIAARN C(Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)[C@]1(N2CCOCC2)CCSC1 ZINC000062580918 556836611 /nfs/dbraw/zinc/83/66/11/556836611.db2.gz BBIXRAFDBKEUDT-JOCHJYFZSA-N 0 0 430.643 4.067 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)c1C2 ZINC000334160876 556837019 /nfs/dbraw/zinc/83/70/19/556837019.db2.gz NZGIJBDSNXQBKL-LJQANCHMSA-N 0 0 428.492 4.287 50 0 IIAARN O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(Cl)cc2s1 ZINC000022997674 556838577 /nfs/dbraw/zinc/83/85/77/556838577.db2.gz MBXOSLQMKVJZKK-UHFFFAOYSA-N 0 0 445.972 4.084 50 0 IIAARN CCOC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000019643972 556838741 /nfs/dbraw/zinc/83/87/41/556838741.db2.gz AICXJGNTCYFVJO-UHFFFAOYSA-N 0 0 445.610 4.028 50 0 IIAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000019645486 556840054 /nfs/dbraw/zinc/84/00/54/556840054.db2.gz IEBZGXUNMWNNJX-UHFFFAOYSA-N 0 0 446.960 4.290 50 0 IIAARN O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl ZINC000008690331 556842577 /nfs/dbraw/zinc/84/25/77/556842577.db2.gz DJPDDSIKUXLTGV-ZNFPLGDCSA-N 0 0 444.771 4.205 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)c1 ZINC000008719139 556842860 /nfs/dbraw/zinc/84/28/60/556842860.db2.gz OJIGDLXWPWGSNL-UHFFFAOYSA-N 0 0 435.530 4.381 50 0 IIAARN CN(C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000008723996 556843461 /nfs/dbraw/zinc/84/34/61/556843461.db2.gz PJCPBZOBXKBVBR-UHFFFAOYSA-N 0 0 435.597 4.067 50 0 IIAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)nc(C)n2)n1 ZINC000067613887 556844434 /nfs/dbraw/zinc/84/44/34/556844434.db2.gz DXAODRQFMGBHJF-UHFFFAOYSA-N 0 0 441.539 4.095 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C/C=C/c3ccccc3)C2=O)c(OC)c1 ZINC000008765359 556845856 /nfs/dbraw/zinc/84/58/56/556845856.db2.gz QHOKVMVZJJQULP-HSDHKRTLSA-N 0 0 443.499 4.224 50 0 biogenic IIAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 ZINC000033071276 556851562 /nfs/dbraw/zinc/85/15/62/556851562.db2.gz MBAXTMRTIQAUEO-MRXNPFEDSA-N 0 0 427.346 4.167 50 0 IIAARN COc1ccccc1CNC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072848 556852491 /nfs/dbraw/zinc/85/24/91/556852491.db2.gz UEJBHPFMZGUKBS-UHFFFAOYSA-N 0 0 432.499 4.266 50 0 IIAARN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008943731 556853264 /nfs/dbraw/zinc/85/32/64/556853264.db2.gz GOAVYJCRAOHYGB-UHFFFAOYSA-N 0 0 447.274 4.270 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000033085155 556855128 /nfs/dbraw/zinc/85/51/28/556855128.db2.gz JYUFGJLTKZALEE-UHFFFAOYSA-N 0 0 448.523 4.095 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087503 556857440 /nfs/dbraw/zinc/85/74/40/556857440.db2.gz SWLNSLIAJGGPQP-UHFFFAOYSA-N 0 0 430.917 4.028 50 0 IIAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087523 556857571 /nfs/dbraw/zinc/85/75/71/556857571.db2.gz LKZUMQQZCYHXPT-UHFFFAOYSA-N 0 0 438.553 4.474 50 0 IIAARN CC(C)Oc1ccc(CNC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088550 556857766 /nfs/dbraw/zinc/85/77/66/556857766.db2.gz JMNVHNJKGHMSGX-UHFFFAOYSA-N 0 0 445.401 4.120 50 0 IIAARN O=C(CSc1nc(N2CCCCC2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000033114730 556861498 /nfs/dbraw/zinc/86/14/98/556861498.db2.gz GDEOCPMWRYMDJL-UHFFFAOYSA-N 0 0 436.537 4.122 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)cc1OC ZINC000033121850 556863071 /nfs/dbraw/zinc/86/30/71/556863071.db2.gz LKLUCSQOTDYNCW-UHFFFAOYSA-N 0 0 435.509 4.162 50 0 IIAARN Cc1nc2ncnn2c(Sc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000033122270 556863277 /nfs/dbraw/zinc/86/32/77/556863277.db2.gz MOZCZNZIHQIAIN-UHFFFAOYSA-N 0 0 445.957 4.347 50 0 IIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128152 556865035 /nfs/dbraw/zinc/86/50/35/556865035.db2.gz KZWVEZLFOSFPNF-CQSZACIVSA-N 0 0 429.929 4.322 50 0 IIAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccc(F)cc3Cl)ccc2=O)cc1 ZINC000033128348 556865523 /nfs/dbraw/zinc/86/55/23/556865523.db2.gz JFJUVDRTGJGQRP-CQSZACIVSA-N 0 0 431.920 4.130 50 0 IIAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126118 556866673 /nfs/dbraw/zinc/86/66/73/556866673.db2.gz NCDJRTOXHXNGQU-NRFANRHFSA-N 0 0 434.559 4.055 50 0 IIAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2CCCO2)cc1 ZINC000004673080 556868062 /nfs/dbraw/zinc/86/80/62/556868062.db2.gz SDJGJWVJJIOCLC-LADGPHEKSA-N 0 0 428.573 4.089 50 0 IIAARN CCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138513 556870852 /nfs/dbraw/zinc/87/08/52/556870852.db2.gz VFVBXGWTGIZTJI-UHFFFAOYSA-N 0 0 445.541 4.313 50 0 IIAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC000033174025 556884302 /nfs/dbraw/zinc/88/43/02/556884302.db2.gz SEGTUGBEAIURTB-GOSISDBHSA-N 0 0 438.572 4.309 50 0 IIAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(C)cc32)cc1 ZINC000033249377 556889103 /nfs/dbraw/zinc/88/91/03/556889103.db2.gz LYOYTIZUZJIKDU-UHFFFAOYSA-N 0 0 440.590 4.127 50 0 IIAARN C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1 ZINC000071974179 556889506 /nfs/dbraw/zinc/88/95/06/556889506.db2.gz CTNZBYHJBWVNHD-JXXFODFXSA-N 0 0 441.238 4.029 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251049 556891658 /nfs/dbraw/zinc/89/16/58/556891658.db2.gz GDIXXOZSOWKKRW-UHFFFAOYSA-N 0 0 439.821 4.333 50 0 IIAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000033252164 556892629 /nfs/dbraw/zinc/89/26/29/556892629.db2.gz JFWFRDCFPDHBFJ-UHFFFAOYSA-N 0 0 428.492 4.372 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)CSc4ccccc4)CC3)c(C)o2)cc1 ZINC000033252219 556892654 /nfs/dbraw/zinc/89/26/54/556892654.db2.gz ONNQGZAORSJFIC-UHFFFAOYSA-N 0 0 437.565 4.095 50 0 IIAARN COc1ccc(CC(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 ZINC000033252191 556892667 /nfs/dbraw/zinc/89/26/67/556892667.db2.gz JRDDHYKSMPLKOW-UHFFFAOYSA-N 0 0 439.943 4.199 50 0 IIAARN COc1ccccc1-c1noc(-c2cn(C)c3cc(N4CCCCC4)c(F)cc3c2=O)n1 ZINC000033255927 556895077 /nfs/dbraw/zinc/89/50/77/556895077.db2.gz XZESPTRMTNUTFV-UHFFFAOYSA-N 0 0 434.471 4.394 50 0 IIAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000033258592 556896414 /nfs/dbraw/zinc/89/64/14/556896414.db2.gz WHSLWORMICPSBX-UHFFFAOYSA-N 0 0 443.463 4.479 50 0 IIAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)nn2)nc1 ZINC000072140555 556899395 /nfs/dbraw/zinc/89/93/95/556899395.db2.gz SWWAGCYPHGFOJA-UHFFFAOYSA-N 0 0 437.935 4.240 50 0 IIAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000072193849 556900379 /nfs/dbraw/zinc/90/03/79/556900379.db2.gz CXQIICLISPOSGY-MHZLTWQESA-N 0 0 443.499 4.348 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000072193677 556900525 /nfs/dbraw/zinc/90/05/25/556900525.db2.gz DVNWZKJAHWQMEW-UHFFFAOYSA-N 0 0 433.415 4.198 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000033262550 556900964 /nfs/dbraw/zinc/90/09/64/556900964.db2.gz DSQZEVVIYFNXOY-UHFFFAOYSA-N 0 0 441.516 4.143 50 0 IIAARN COc1cc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc(OC)c1OC ZINC000072333548 556906923 /nfs/dbraw/zinc/90/69/23/556906923.db2.gz SIMIFYRKANMGPU-UHFFFAOYSA-N 0 0 426.542 4.346 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccccc3OC)CC2)cc1OCc1ccccc1 ZINC000019790113 556914815 /nfs/dbraw/zinc/91/48/15/556914815.db2.gz CAFOWMPGJHMVTJ-UHFFFAOYSA-N 0 0 446.547 4.241 50 0 IIAARN Nn1c(=O)c2sc(-c3ccc(Cl)cc3)cc2nc1SCC(=O)c1ccccc1 ZINC000019797118 556916533 /nfs/dbraw/zinc/91/65/33/556916533.db2.gz YVDADVOHPBSJGN-UHFFFAOYSA-N 0 0 427.938 4.467 50 0 IIAARN O=c1c2sc(-c3ccc(F)cc3)cc2nc(SCCN2CCOCC2)n1C1CC1 ZINC000019797160 556916537 /nfs/dbraw/zinc/91/65/37/556916537.db2.gz DURMYCOPRRRPFI-UHFFFAOYSA-N 0 0 431.558 4.023 50 0 IIAARN Cc1cccc(CN2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019838104 556928801 /nfs/dbraw/zinc/92/88/01/556928801.db2.gz XWXBNGRTMPCPMM-SANMLTNESA-N 0 0 431.580 4.038 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4C)nc3N(C)C)CC2)cc1 ZINC000019837830 556928816 /nfs/dbraw/zinc/92/88/16/556928816.db2.gz GPKBULWGJDPVFC-UHFFFAOYSA-N 0 0 442.563 4.288 50 0 IIAARN COc1cccc(CN2CCN(C(=O)c3cccc(-c4ccccc4F)c3)CCC2=O)c1 ZINC000019839900 556929150 /nfs/dbraw/zinc/92/91/50/556929150.db2.gz VWJHUFDCLNZGMT-UHFFFAOYSA-N 0 0 432.495 4.376 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c(C)c1 ZINC000019859870 556932148 /nfs/dbraw/zinc/93/21/48/556932148.db2.gz UXYQFJAZVPBIBT-SFHVURJKSA-N 0 0 434.989 4.446 50 0 IIAARN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862424 556933912 /nfs/dbraw/zinc/93/39/12/556933912.db2.gz ZQRXUAFOQAYOOD-LJQANCHMSA-N 0 0 426.513 4.159 50 0 IIAARN COc1cc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)ccc1OCc1ccccc1 ZINC000019879334 556936517 /nfs/dbraw/zinc/93/65/17/556936517.db2.gz MTESVQRCLKBJDM-DEDYPNTBSA-N 0 0 447.541 4.015 50 0 IIAARN O=C(N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1F ZINC000019891616 556939491 /nfs/dbraw/zinc/93/94/91/556939491.db2.gz XUDBPQQQXDMIEI-AWEZNQCLSA-N 0 0 438.714 4.378 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962159 556955900 /nfs/dbraw/zinc/95/59/00/556955900.db2.gz AUTCLEXXSUGBLU-QHCPKHFHSA-N 0 0 440.503 4.204 50 0 IIAARN COc1ccc2c(c1)C(N1CCN(C(=O)Cc3ccc(F)cc3)CC1)=Nc1ccccc1O2 ZINC000034813137 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COc1ccccc1CNc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1 ZINC000032943558 557020384 /nfs/dbraw/zinc/02/03/84/557020384.db2.gz AJDOWODQIRIIEL-UHFFFAOYSA-N 0 0 425.554 4.276 50 0 IIAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c2ccccc2S1 ZINC000032943781 557021426 /nfs/dbraw/zinc/02/14/26/557021426.db2.gz IIVCIIUZIZAWFS-HNNXBMFYSA-N 0 0 434.608 4.225 50 0 IIAARN CCCNC(=O)Cn1nc2c(c1NC(=O)C1c3ccccc3Oc3ccccc31)CSC2 ZINC000023138867 557022343 /nfs/dbraw/zinc/02/23/43/557022343.db2.gz QVNDTIQWYCUNSB-UHFFFAOYSA-N 0 0 448.548 4.032 50 0 IIAARN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(CC)sc3n2)cc1 ZINC000046032502 557025114 /nfs/dbraw/zinc/02/51/14/557025114.db2.gz LWMKGJNYAJWWAG-UHFFFAOYSA-N 0 0 434.565 4.315 50 0 IIAARN Cn1cnnc1Sc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl ZINC000072057845 557025257 /nfs/dbraw/zinc/02/52/57/557025257.db2.gz APCSIFPAYKHXPM-UHFFFAOYSA-N 0 0 428.880 4.197 50 0 IIAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000010785322 557027133 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IIAARN O=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000023043142 557059400 /nfs/dbraw/zinc/05/94/00/557059400.db2.gz HUDMFMHXKVCXCH-UHFFFAOYSA-N 0 0 438.524 4.094 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(n2cnc3ccc(C)cc3c2=O)CC1 ZINC000033278468 557060078 /nfs/dbraw/zinc/06/00/78/557060078.db2.gz LLUHMAHAKDCEEE-UHFFFAOYSA-N 0 0 426.904 4.236 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)c1C ZINC000051364406 557061221 /nfs/dbraw/zinc/06/12/21/557061221.db2.gz MDNBLISWTGXTSY-QFIPXVFZSA-N 0 0 427.548 4.172 50 0 IIAARN C[C@H]1CCN(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c2ccccc2S1 ZINC000048300184 557062056 /nfs/dbraw/zinc/06/20/56/557062056.db2.gz ZOOHXZUTFGMXIG-AWEZNQCLSA-N 0 0 425.485 4.290 50 0 IIAARN O=C(NCC1(c2ccccc2)CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000023077559 557062198 /nfs/dbraw/zinc/06/21/98/557062198.db2.gz NHZHPNUSYPHYAL-UHFFFAOYSA-N 0 0 426.507 4.445 50 0 IIAARN CC[C@H](C)[C@H](C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000048301803 557062995 /nfs/dbraw/zinc/06/29/95/557062995.db2.gz HPRUYCPQSYOPQF-CYFREDJKSA-N 0 0 436.552 4.237 50 0 IIAARN CCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCc1cccnc1 ZINC000023108534 557063711 /nfs/dbraw/zinc/06/37/11/557063711.db2.gz QVYSOGFUCIZZRU-UHFFFAOYSA-N 0 0 436.508 4.049 50 0 IIAARN CC(=O)N(C)c1nc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 ZINC000048303162 557064806 /nfs/dbraw/zinc/06/48/06/557064806.db2.gz UEMFJXYAEVYMPG-MRXNPFEDSA-N 0 0 427.357 4.036 50 0 IIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000023125766 557065151 /nfs/dbraw/zinc/06/51/51/557065151.db2.gz YBSQXFBRXPHBQG-UHFFFAOYSA-N 0 0 444.534 4.117 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc(OC)c1 ZINC000033288209 557065220 /nfs/dbraw/zinc/06/52/20/557065220.db2.gz NZXNZRMSBFDJSZ-UHFFFAOYSA-N 0 0 448.523 4.450 50 0 IIAARN Cc1cccc(Sc2nccnc2SCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000033289040 557066521 /nfs/dbraw/zinc/06/65/21/557066521.db2.gz HHEGGXZMRFWGAO-UHFFFAOYSA-N 0 0 436.606 4.377 50 0 IIAARN 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ZINC000101080117 557282546 /nfs/dbraw/zinc/28/25/46/557282546.db2.gz DUULKVGZNXDICI-ROUUACIJSA-N 0 0 426.266 4.124 50 0 IIAARN CCc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000101159904 557283848 /nfs/dbraw/zinc/28/38/48/557283848.db2.gz WAKHREOGTLMGAW-QGZVFWFLSA-N 0 0 447.354 4.015 50 0 IIAARN O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000101155740 557283932 /nfs/dbraw/zinc/28/39/32/557283932.db2.gz WLJYVMHDCNMHMO-OAQYLSRUSA-N 0 0 435.430 4.331 50 0 IIAARN CCN1c2ccc(C)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2OC)C1=O ZINC000101407088 557284106 /nfs/dbraw/zinc/28/41/06/557284106.db2.gz FIWZTVPCNNYNPF-FQEVSTJZSA-N 0 0 439.515 4.396 50 0 IIAARN COc1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(C)cc4)nn32)cc1OC ZINC000101459218 557285212 /nfs/dbraw/zinc/28/52/12/557285212.db2.gz AWDRVEJDXQTCKQ-HSZRJFAPSA-N 0 0 426.476 4.270 50 0 IIAARN CCCCS[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](SCCCC)C3=O)cc2)C1=O ZINC000101345637 557291642 /nfs/dbraw/zinc/29/16/42/557291642.db2.gz 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COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)c1 ZINC000101881712 557305690 /nfs/dbraw/zinc/30/56/90/557305690.db2.gz UHPMJSPASGPYBD-UHFFFAOYSA-N 0 0 432.455 4.034 50 0 IIAARN O=C(COc1ccc(F)cc1Br)Nc1ccccc1C(=O)NC1CCCC1 ZINC000014170967 557313401 /nfs/dbraw/zinc/31/34/01/557313401.db2.gz BXKNEJCTVPIYCO-UHFFFAOYSA-N 0 0 435.293 4.278 50 0 IIAARN O=S(=O)(c1cccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)c1)N1CCCCC1 ZINC000023222033 557313453 /nfs/dbraw/zinc/31/34/53/557313453.db2.gz UCSDISUMEKPYIU-CYBMUJFWSA-N 0 0 448.397 4.197 50 0 IIAARN O=C(Oc1ccccc1F)c1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ncc1Cl ZINC000032624214 557313588 /nfs/dbraw/zinc/31/35/88/557313588.db2.gz SFSMQVUCBNDMRL-UHFFFAOYSA-N 0 0 441.267 4.116 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102255569 557316627 /nfs/dbraw/zinc/31/66/27/557316627.db2.gz WVCXKZFVUCYHPS-JOCHJYFZSA-N 0 0 439.581 4.454 50 0 IIAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102256175 557316752 /nfs/dbraw/zinc/31/67/52/557316752.db2.gz GALKPLBBCKOBHL-HXUWFJFHSA-N 0 0 445.972 4.491 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc([C@H]3CC(c4ccc(F)cc4)=Nc4nnnn43)c2)cc1 ZINC000102276762 557317193 /nfs/dbraw/zinc/31/71/93/557317193.db2.gz OFRDNZDWRAEGPD-JOCHJYFZSA-N 0 0 426.455 4.429 50 0 IIAARN C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc4c(Cl)cc(Cl)cn4c3=S)CC2)C1 ZINC000032926868 557318564 /nfs/dbraw/zinc/31/85/64/557318564.db2.gz FKBCCZRATLPTLV-CYBMUJFWSA-N 0 0 442.416 4.100 50 0 IIAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000102410931 557321306 /nfs/dbraw/zinc/32/13/06/557321306.db2.gz FQJVJYUGRRVCNR-KBPBESRZSA-N 0 0 441.896 4.099 50 0 IIAARN Cc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032995183 557321991 /nfs/dbraw/zinc/32/19/91/557321991.db2.gz VGWZCMYWLKPJGR-UHFFFAOYSA-N 0 0 428.945 4.391 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000032997989 557322187 /nfs/dbraw/zinc/32/21/87/557322187.db2.gz NLWMALNUEJYCJB-UHFFFAOYSA-N 0 0 449.016 4.464 50 0 IIAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N[C@H](C)Cc4ccco4)cc3)c2cc1C ZINC000033006065 557322241 /nfs/dbraw/zinc/32/22/41/557322241.db2.gz LUCGIEHGJQNIPG-GOSISDBHSA-N 0 0 429.520 4.324 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1 ZINC000033129853 557325027 /nfs/dbraw/zinc/32/50/27/557325027.db2.gz ZHBQIEODMBLMJU-QGZVFWFLSA-N 0 0 426.567 4.493 50 0 IIAARN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033254464 557327664 /nfs/dbraw/zinc/32/76/64/557327664.db2.gz FSLUAVVSTQZBMQ-UHFFFAOYSA-N 0 0 434.471 4.244 50 0 IIAARN Cc1cccc(OCCN(C)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 ZINC000014245287 557329458 /nfs/dbraw/zinc/32/94/58/557329458.db2.gz MDJGZRSODVXTAI-UHFFFAOYSA-N 0 0 428.488 4.255 50 0 IIAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccc(F)c1 ZINC000060879683 557329791 /nfs/dbraw/zinc/32/97/91/557329791.db2.gz FFCCSELUTCGPIC-INIZCTEOSA-N 0 0 431.529 4.020 50 0 IIAARN CCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(C)cc2)no1)OCO3 ZINC000033279671 557331275 /nfs/dbraw/zinc/33/12/75/557331275.db2.gz BSFLDYKYWZYOEC-UHFFFAOYSA-N 0 0 436.493 4.186 50 0 IIAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)CC1 ZINC000033289956 557332316 /nfs/dbraw/zinc/33/23/16/557332316.db2.gz AONLIKXMBNOBLJ-UHFFFAOYSA-N 0 0 449.623 4.008 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)cc1 ZINC000033313001 557332511 /nfs/dbraw/zinc/33/25/11/557332511.db2.gz KFLCPOWVCVJMBF-UHFFFAOYSA-N 0 0 427.552 4.015 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N[C@H](C)C(C)C)cc3)c(C)c2Br)o1 ZINC000023332543 557344790 /nfs/dbraw/zinc/34/47/90/557344790.db2.gz KXVXQGMAEZYGEN-LLVKDONJSA-N 0 0 432.322 4.076 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023336274 557348761 /nfs/dbraw/zinc/34/87/61/557348761.db2.gz POFLXRUYLSVVFN-QHCPKHFHSA-N 0 0 428.504 4.061 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000033707452 557349670 /nfs/dbraw/zinc/34/96/70/557349670.db2.gz HSYMCFAWQJXYJA-UHFFFAOYSA-N 0 0 444.940 4.470 50 0 IIAARN CC(C)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000023335126 557349912 /nfs/dbraw/zinc/34/99/12/557349912.db2.gz HYQUIDACTRDATE-UHFFFAOYSA-N 0 0 432.572 4.144 50 0 IIAARN Cc1ccccc1S(=O)(=O)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023439709 557357721 /nfs/dbraw/zinc/35/77/21/557357721.db2.gz WMGTWBRWLZLPCF-UHFFFAOYSA-N 0 0 432.589 4.190 50 0 IIAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102603326 557358225 /nfs/dbraw/zinc/35/82/25/557358225.db2.gz QWEWPUFCABXJGN-BTYIYWSLSA-N 0 0 432.480 4.369 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2F)c(-c2ccc3c(c2)OCO3)cn1C ZINC000023446295 557358991 /nfs/dbraw/zinc/35/89/91/557358991.db2.gz WSXHKBDXTSDUKA-UHFFFAOYSA-N 0 0 446.381 4.267 50 0 IIAARN COC(=O)CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102662858 557362113 /nfs/dbraw/zinc/36/21/13/557362113.db2.gz IIGZRNZNRBQHKJ-QGZVFWFLSA-N 0 0 434.468 4.129 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCSc3ccccc32)c(C)c1 ZINC000247864468 557366886 /nfs/dbraw/zinc/36/68/86/557366886.db2.gz HZSUCEMMLNVAPO-PMACEKPBSA-N 0 0 444.622 4.118 50 0 IIAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)n1 ZINC000220815109 557367217 /nfs/dbraw/zinc/36/72/17/557367217.db2.gz OCTIDTAFJXIDJL-QGZVFWFLSA-N 0 0 429.480 4.190 50 0 IIAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)n1 ZINC000220834251 557368119 /nfs/dbraw/zinc/36/81/19/557368119.db2.gz FPRARVZPJMQEEM-SFHVURJKSA-N 0 0 445.972 4.483 50 0 IIAARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000102724277 557369612 /nfs/dbraw/zinc/36/96/12/557369612.db2.gz BQFOUNRVJDTJHS-WXFUMESZSA-N 0 0 444.487 4.069 50 0 IIAARN Cc1c(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cnn1-c1ccccc1 ZINC000220897049 557370293 /nfs/dbraw/zinc/37/02/93/557370293.db2.gz YIZKLLPMSBIWME-KRWDZBQOSA-N 0 0 433.537 4.387 50 0 IIAARN Fc1ccc(C2=Nc3nnnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799790 557390108 /nfs/dbraw/zinc/39/01/08/557390108.db2.gz GOGCMLHERJSOMI-CQSZACIVSA-N 0 0 438.207 4.232 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000102811400 557393145 /nfs/dbraw/zinc/39/31/45/557393145.db2.gz DZYFPOSYLSYSBM-UHFFFAOYSA-N 0 0 426.451 4.196 50 0 IIAARN C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1F ZINC000025656241 557399622 /nfs/dbraw/zinc/39/96/22/557399622.db2.gz CFSWVUQRLVWVCF-VIFPVBQESA-N 0 0 437.128 4.390 50 0 IIAARN CCOC(=O)C(=C(O)CSc1nccn1-c1cccc(C)c1C)c1nc(C)cs1 ZINC000102905708 557411700 /nfs/dbraw/zinc/41/17/00/557411700.db2.gz RIESQFHQEOCAIS-GOSISDBHSA-N 0 0 429.567 4.262 50 0 IIAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(=O)C1CCC1)C(C)C ZINC000033604277 557419533 /nfs/dbraw/zinc/41/95/33/557419533.db2.gz MUIVXMGKHAFBFZ-UHFFFAOYSA-N 0 0 442.581 4.351 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1Br ZINC000014197263 557425603 /nfs/dbraw/zinc/42/56/03/557425603.db2.gz NEVGYAPJRJUVIT-UHFFFAOYSA-N 0 0 426.288 4.035 50 0 IIAARN 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4.318 50 0 IIAARN COc1cccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)c1 ZINC000008594973 562953132 /nfs/dbraw/zinc/95/31/32/562953132.db2.gz MMERXYOPAKIJGS-HXUWFJFHSA-N 0 0 437.565 4.448 50 0 IIAARN COc1cccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)c1 ZINC000008594969 562953150 /nfs/dbraw/zinc/95/31/50/562953150.db2.gz MMERXYOPAKIJGS-FQEVSTJZSA-N 0 0 437.565 4.448 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000008598207 562954189 /nfs/dbraw/zinc/95/41/89/562954189.db2.gz JNRBPVZWMPUNRF-QGZVFWFLSA-N 0 0 448.544 4.208 50 0 IIAARN Cc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccccc4)cc3c2)cc1C ZINC000008598912 562954491 /nfs/dbraw/zinc/95/44/91/562954491.db2.gz VGUFBIZGFZVUPA-UHFFFAOYSA-N 0 0 433.485 4.495 50 0 IIAARN O=C(c1ccccc1)N1CCc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000008599449 562954700 /nfs/dbraw/zinc/95/47/00/562954700.db2.gz HSWOMCVATQZHIQ-UHFFFAOYSA-N 0 0 432.954 4.083 50 0 IIAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(C(C)C)cc3)nc3cccnc32)c1 ZINC000008600479 562955040 /nfs/dbraw/zinc/95/50/40/562955040.db2.gz KJAJVQWSPHLXSN-UHFFFAOYSA-N 0 0 434.565 4.390 50 0 IIAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000008601087 562955169 /nfs/dbraw/zinc/95/51/69/562955169.db2.gz GMMNPCWBYMCYDQ-UHFFFAOYSA-N 0 0 442.928 4.291 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000008601682 562955539 /nfs/dbraw/zinc/95/55/39/562955539.db2.gz GZJRRZOPHPZPRK-UHFFFAOYSA-N 0 0 427.511 4.116 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccc(Br)cc1 ZINC000008603082 562955967 /nfs/dbraw/zinc/95/59/67/562955967.db2.gz JTKDQKDVGLKLOR-UHFFFAOYSA-N 0 0 447.343 4.171 50 0 aggregator IIAARN O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008604283 562956331 /nfs/dbraw/zinc/95/63/31/562956331.db2.gz VDHUYQGLVRAROE-UHFFFAOYSA-N 0 0 438.409 4.040 50 0 IIAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1 ZINC000008604088 562956332 /nfs/dbraw/zinc/95/63/32/562956332.db2.gz SODXBDGNCKEWMI-CQSZACIVSA-N 0 0 432.929 4.096 50 0 IIAARN CCOc1ccc(CNC(=O)c2cc3c(ccn(Cc4cccs4)c3=O)nc2C)cc1 ZINC000008605399 562956741 /nfs/dbraw/zinc/95/67/41/562956741.db2.gz OFMZNPDMIKNTQH-UHFFFAOYSA-N 0 0 433.533 4.143 50 0 IIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCc4ccc(C)cc4)cc3c2=O)cc1 ZINC000008605507 562956745 /nfs/dbraw/zinc/95/67/45/562956745.db2.gz KXPFPTHBOPXAGK-UHFFFAOYSA-N 0 0 427.504 4.000 50 0 IIAARN O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)c1ccccc1Cl ZINC000008607844 562957341 /nfs/dbraw/zinc/95/73/41/562957341.db2.gz LRCNYABIAFIBEP-UHFFFAOYSA-N 0 0 439.880 4.019 50 0 IIAARN COC(=O)c1ccc(Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2)cc1 ZINC000008609196 562957694 /nfs/dbraw/zinc/95/76/94/562957694.db2.gz WJHXPQKEBQOSHE-UHFFFAOYSA-N 0 0 445.544 4.280 50 0 IIAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)N2C1=O ZINC000008609172 562957715 /nfs/dbraw/zinc/95/77/15/562957715.db2.gz FGADALWJPAIIPR-LJQANCHMSA-N 0 0 440.956 4.004 50 0 IIAARN CC1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)CC1 ZINC000008610836 562958299 /nfs/dbraw/zinc/95/82/99/562958299.db2.gz XLNRDIDGPQUJQK-UHFFFAOYSA-N 0 0 448.954 4.311 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)NC1CCCCCC1 ZINC000008610775 562958334 /nfs/dbraw/zinc/95/83/34/562958334.db2.gz KSTMJKRWRSSZOP-UHFFFAOYSA-N 0 0 446.526 4.378 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)coc2c1 ZINC000008611986 562958851 /nfs/dbraw/zinc/95/88/51/562958851.db2.gz MKFGOOPYNSFLQE-QGZVFWFLSA-N 0 0 426.538 4.343 50 0 aggregator IIAARN C[C@@H](c1ccccc1)n1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C ZINC000008614026 562959525 /nfs/dbraw/zinc/95/95/25/562959525.db2.gz UWDONWBRNOYDIO-AWEZNQCLSA-N 0 0 438.325 4.078 50 0 IIAARN COc1cc(OC)c(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1Cl ZINC000008654631 562960234 /nfs/dbraw/zinc/96/02/34/562960234.db2.gz SQZPNEFZIXQBIJ-HNNXBMFYSA-N 0 0 441.915 4.397 50 0 IIAARN CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc(C)cc1 ZINC000008683161 562961952 /nfs/dbraw/zinc/96/19/52/562961952.db2.gz FQSYHTKIVLMDGI-SKLOBRBISA-N 0 0 443.609 4.175 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCn1ccnc1)oc1c3CCCC1 ZINC000008791861 562964241 /nfs/dbraw/zinc/96/42/41/562964241.db2.gz POMGXFJJUDSWMP-UHFFFAOYSA-N 0 0 433.508 4.062 50 0 biogenic IIAARN CCOC(=O)[C@@H](CSCC(=O)c1ccc(Cl)cc1Cl)NC(=O)OC(C)(C)C ZINC000008828931 562964633 /nfs/dbraw/zinc/96/46/33/562964633.db2.gz CTTMIMXUVKBPST-CQSZACIVSA-N 0 0 436.357 4.366 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000008831042 562964944 /nfs/dbraw/zinc/96/49/44/562964944.db2.gz CLCRLLCJCPVMOF-QHCPKHFHSA-N 0 0 428.488 4.069 50 0 IIAARN Cc1c(CCNC(=O)c2ccc(Br)o2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000008860328 562965360 /nfs/dbraw/zinc/96/53/60/562965360.db2.gz FLVUBEPVZKONDM-UHFFFAOYSA-N 0 0 445.342 4.403 50 0 IIAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000009057910 562966778 /nfs/dbraw/zinc/96/67/78/562966778.db2.gz XABCXCULNWIETR-FQEVSTJZSA-N 0 0 425.575 4.096 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1 ZINC000009354504 562969548 /nfs/dbraw/zinc/96/95/48/562969548.db2.gz DWVDQQNLNVVWTM-UHFFFAOYSA-N 0 0 445.566 4.102 50 0 IIAARN CCN(C(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(OC)cc1 ZINC000009431678 562970704 /nfs/dbraw/zinc/97/07/04/562970704.db2.gz XGRJUASBPUPKQV-SFHVURJKSA-N 0 0 436.512 4.023 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](/C=C/c3ccccc3OC)N2C1=O ZINC000009461042 562971481 /nfs/dbraw/zinc/97/14/81/562971481.db2.gz PTZIATKZCRQFCP-FEFOKTNTSA-N 0 0 428.554 4.274 50 0 IIAARN COc1ccc(O)c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 ZINC000009579682 562973477 /nfs/dbraw/zinc/97/34/77/562973477.db2.gz JOLCWSYBUSOJKF-UHFFFAOYSA-N 0 0 446.431 4.271 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009671206 562975076 /nfs/dbraw/zinc/97/50/76/562975076.db2.gz KXWRNGVRPIRZKM-UHFFFAOYSA-N 0 0 445.910 4.265 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2oc1C(=O)N1CCCCCC1 ZINC000009673159 562975223 /nfs/dbraw/zinc/97/52/23/562975223.db2.gz QNVCPMXPXAEENP-CALCHBBNSA-N 0 0 432.586 4.424 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2oc1C(=O)NC1CCCCC1 ZINC000009673182 562975260 /nfs/dbraw/zinc/97/52/60/562975260.db2.gz KNIISGNXGSTDEL-HOTGVXAUSA-N 0 0 432.586 4.470 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1 ZINC000009811763 562977152 /nfs/dbraw/zinc/97/71/52/562977152.db2.gz YHTTXKQRAMIWJN-KRWDZBQOSA-N 0 0 425.916 4.063 50 0 IIAARN C[C@@H](Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21)c1ccccc1 ZINC000009971110 562978162 /nfs/dbraw/zinc/97/81/62/562978162.db2.gz AALHLJWQEACLLK-CQSZACIVSA-N 0 0 435.534 4.345 50 0 IIAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4cc5nc(C)cc(C)n5n4)C3)ccc2c1 ZINC000011933560 562979875 /nfs/dbraw/zinc/97/98/75/562979875.db2.gz LIVFAXOZFUTTDH-NRFANRHFSA-N 0 0 442.519 4.243 50 0 IIAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccnc1Sc1ccccc1 ZINC000013014266 562984214 /nfs/dbraw/zinc/98/42/14/562984214.db2.gz KAJMEIVKLDFHIS-QFIPXVFZSA-N 0 0 437.540 4.175 50 0 IIAARN COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1cccc(C)c1)C2 ZINC000015936543 563018899 /nfs/dbraw/zinc/01/88/99/563018899.db2.gz UKUJIJHGQPDZKZ-UHFFFAOYSA-N 0 0 431.492 4.134 50 0 IIAARN CCOc1ccc(CCNC(=O)CCC(=O)N2CCSc3ccccc32)cc1OCC ZINC000015943572 563019935 /nfs/dbraw/zinc/01/99/35/563019935.db2.gz DEYYVGZHESXZES-UHFFFAOYSA-N 0 0 442.581 4.062 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000015943574 563019971 /nfs/dbraw/zinc/01/99/71/563019971.db2.gz DQIUAQPTFQRTIM-GDLZYMKVSA-N 0 0 431.897 4.041 50 0 IIAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000020289787 563024472 /nfs/dbraw/zinc/02/44/72/563024472.db2.gz MZLRVIBSEQHNCE-VGSWGCGISA-N 0 0 425.554 4.032 50 0 IIAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 ZINC000058136007 563143390 /nfs/dbraw/zinc/14/33/90/563143390.db2.gz GTTTWLWTAGZCEL-HSZRJFAPSA-N 0 0 438.934 4.167 50 0 IIAARN CC(C)OC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982886 568622629 /nfs/dbraw/zinc/62/26/29/568622629.db2.gz KYOBJHSFUQMOCH-LEWJYISDSA-N 0 0 434.939 4.260 50 0 IIAARN Cc1ccc([C@H](CN2CCOCC2)NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000018946563 568628994 /nfs/dbraw/zinc/62/89/94/568628994.db2.gz XTYAIOGOUHRCKC-IBGZPJMESA-N 0 0 439.503 4.254 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000000900188 568636101 /nfs/dbraw/zinc/63/61/01/568636101.db2.gz ZETIOZMDXVZOOJ-UHFFFAOYSA-N 0 0 431.521 4.128 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000000902413 568636254 /nfs/dbraw/zinc/63/62/54/568636254.db2.gz SQGDJMREEZZFEC-UHFFFAOYSA-N 0 0 443.528 4.378 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1cccc2ccccc21 ZINC000000907267 568636365 /nfs/dbraw/zinc/63/63/65/568636365.db2.gz KKPHMNBWRBJQTC-IBGZPJMESA-N 0 0 445.548 4.403 50 0 IIAARN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)N1CCCc2ccccc21 ZINC000000925284 568637761 /nfs/dbraw/zinc/63/77/61/568637761.db2.gz MELXPUVDEIKBFK-UHFFFAOYSA-N 0 0 435.578 4.289 50 0 IIAARN COc1ccc(NC(=O)COc2ccc(Br)cc2Br)c(OC)c1 ZINC000000940059 568640604 /nfs/dbraw/zinc/64/06/04/568640604.db2.gz OMZXMUHMEBCFCI-UHFFFAOYSA-N 0 0 445.107 4.246 50 0 IIAARN COc1ccc(OC)c(NC(=O)COc2ccc(Br)cc2Br)c1 ZINC000000940060 568640764 /nfs/dbraw/zinc/64/07/64/568640764.db2.gz PHSIJZLZLLMJKE-UHFFFAOYSA-N 0 0 445.107 4.246 50 0 IIAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccc(F)cc2)cc1 ZINC000086066626 568644408 /nfs/dbraw/zinc/64/44/08/568644408.db2.gz OYRAIXJFMVOTKS-UHFFFAOYSA-N 0 0 439.878 4.389 50 0 IIAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1cccc(Br)c1 ZINC000000950965 568645387 /nfs/dbraw/zinc/64/53/87/568645387.db2.gz XEKSGTWQEWTAGN-GOSISDBHSA-N 0 0 425.286 4.030 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 ZINC000025182936 568648227 /nfs/dbraw/zinc/64/82/27/568648227.db2.gz KKMLTWOYJBYYIZ-UHFFFAOYSA-N 0 0 446.532 4.009 50 0 IIAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)cc1)N2 ZINC000000999365 568649617 /nfs/dbraw/zinc/64/96/17/568649617.db2.gz WLGAUYBFISOIGT-PKOBYXMFSA-N 0 0 446.477 4.166 50 0 IIAARN Cc1csc(N(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c2ccccc2)n1 ZINC000025316353 568653100 /nfs/dbraw/zinc/65/31/00/568653100.db2.gz OPNDLPFFJPPTIF-UHFFFAOYSA-N 0 0 432.505 4.066 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2cccs2)cc1 ZINC000001139479 568660716 /nfs/dbraw/zinc/66/07/16/568660716.db2.gz GSQMQOWEPWOQJM-AQTBWJFISA-N 0 0 438.505 4.184 50 0 IIAARN CC(=O)O[C@H]1C[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@@]2(C)C1 ZINC000257348234 568731103 /nfs/dbraw/zinc/73/11/03/568731103.db2.gz COKYYNCXGADZHN-XALQNHGYSA-N 0 0 434.573 4.434 50 0 IIAARN C[C@H](Nc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012526486 568742414 /nfs/dbraw/zinc/74/24/14/568742414.db2.gz OANIQCJQNUEPEM-IBGZPJMESA-N 0 0 444.535 4.215 50 0 IIAARN NS(=O)(=O)c1ccc(CCn2c3c(c(=S)nc2-c2ccccc2)CCCC3)cc1 ZINC000003265475 568744277 /nfs/dbraw/zinc/74/42/77/568744277.db2.gz WKTZCKBSTCOBCA-UHFFFAOYSA-N 0 0 425.579 4.048 50 0 IIAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000044004896 568745696 /nfs/dbraw/zinc/74/56/96/568745696.db2.gz WAXQTFLIOYPPAR-UHFFFAOYSA-N 0 0 434.496 4.024 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c(C)c1C ZINC000044038272 568746274 /nfs/dbraw/zinc/74/62/74/568746274.db2.gz DZKCUJILEYDVDD-UHFFFAOYSA-N 0 0 442.503 4.251 50 0 IIAARN CCOc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1cc(C)ccc1C ZINC000003335863 568746532 /nfs/dbraw/zinc/74/65/32/568746532.db2.gz HKCOTOQXFLXQPW-UHFFFAOYSA-N 0 0 442.537 4.125 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 ZINC000003343104 568746768 /nfs/dbraw/zinc/74/67/68/568746768.db2.gz XNISJKHHOBUNFE-CABCVRRESA-N 0 0 428.533 4.471 50 0 IIAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000003370015 568748111 /nfs/dbraw/zinc/74/81/11/568748111.db2.gz LCRGKJGNUAUDKA-UHFFFAOYSA-N 0 0 437.448 4.300 50 0 IIAARN O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003517009 568750482 /nfs/dbraw/zinc/75/04/82/568750482.db2.gz POEMEOICCLKXNQ-UHFFFAOYSA-N 0 0 435.958 4.377 50 0 IIAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(F)c(F)c3)C2=O)cc1C ZINC000025636780 568754855 /nfs/dbraw/zinc/75/48/55/568754855.db2.gz ZYZQEHJGPAFMJR-RUZDIDTESA-N 0 0 434.442 4.260 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCCC[C@H]1c1cccnc1 ZINC000299777407 568757014 /nfs/dbraw/zinc/75/70/14/568757014.db2.gz DNPAPCDGSXFBRT-XUZZJYLKSA-N 0 0 425.960 4.460 50 0 IIAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c1 ZINC000004062538 568760298 /nfs/dbraw/zinc/76/02/98/568760298.db2.gz ZWTWXJZUUOVCIG-PBXXJUDPSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)cn2)c2ccccc21 ZINC000263588306 568760993 /nfs/dbraw/zinc/76/09/93/568760993.db2.gz RPMVEHFUUDCFHM-KRWDZBQOSA-N 0 0 428.920 4.301 50 0 IIAARN COc1ccc(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)cc1-c1nn[nH]n1 ZINC000263588211 568761028 /nfs/dbraw/zinc/76/10/28/568761028.db2.gz QKUQYJLOZPGJRR-JOCHJYFZSA-N 0 0 438.491 4.448 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000263588925 568761122 /nfs/dbraw/zinc/76/11/22/568761122.db2.gz ZXZCEPASZTVXAM-QFIPXVFZSA-N 0 0 432.524 4.297 50 0 IIAARN CCOc1ccc(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1 ZINC000015391680 568761670 /nfs/dbraw/zinc/76/16/70/568761670.db2.gz HYTXCLHZNPCWDD-UHFFFAOYSA-N 0 0 446.370 4.420 50 0 IIAARN O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC000015436024 568762077 /nfs/dbraw/zinc/76/20/77/568762077.db2.gz YOYLYXNDLGNLHN-UHFFFAOYSA-N 0 0 427.913 4.129 50 0 IIAARN Cc1nc2sc3c(c2c2nnc(S[C@H](C)C(=O)NCc4ccccc4)n21)CCCC3 ZINC000001241318 568774493 /nfs/dbraw/zinc/77/44/93/568774493.db2.gz RLMINNRXMRNCMU-CYBMUJFWSA-N 0 0 437.594 4.323 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001245704 568774762 /nfs/dbraw/zinc/77/47/62/568774762.db2.gz AVKZJUISPGWQHD-UHFFFAOYSA-N 0 0 444.578 4.262 50 0 IIAARN COc1ccc(CNC(=O)CS[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)cc1 ZINC000004108832 568775575 /nfs/dbraw/zinc/77/55/75/568775575.db2.gz BQYXIAFTFLHPOV-HSZRJFAPSA-N 0 0 438.574 4.461 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 ZINC000263618125 568778014 /nfs/dbraw/zinc/77/80/14/568778014.db2.gz RIYWFZWDLHDQDP-GOSISDBHSA-N 0 0 430.504 4.107 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccc(C3N=NC(=S)N3c3ccccc3)cc2)ccc1F ZINC000032099719 568780689 /nfs/dbraw/zinc/78/06/89/568780689.db2.gz RDCUELYUBDQPAO-UHFFFAOYSA-N 0 0 440.525 4.471 50 0 IIAARN CC(=O)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)CC(C)C ZINC000004142987 568781741 /nfs/dbraw/zinc/78/17/41/568781741.db2.gz IIMFTCBYCYGLFO-UHFFFAOYSA-N 0 0 429.460 4.478 50 0 IIAARN COC(=O)COc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1Cl ZINC000083891306 568784752 /nfs/dbraw/zinc/78/47/52/568784752.db2.gz KZRUXPAYWYGINB-UHFFFAOYSA-N 0 0 442.855 4.097 50 0 IIAARN O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1cc2ccccc2s1 ZINC000001395369 568785913 /nfs/dbraw/zinc/78/59/13/568785913.db2.gz SQPMBBXDZHJCGS-UHFFFAOYSA-N 0 0 433.514 4.449 50 0 IIAARN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(SCc1cccc(F)c1)=N2 ZINC000001399082 568785935 /nfs/dbraw/zinc/78/59/35/568785935.db2.gz JIBGAQKPUCEYOB-LJQANCHMSA-N 0 0 427.501 4.391 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000025918380 568792981 /nfs/dbraw/zinc/79/29/81/568792981.db2.gz NBCXDOZXBSTXDS-LJQANCHMSA-N 0 0 449.518 4.348 50 0 IIAARN Cc1[nH]c2c(cccc2F)c1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000001423173 568793590 /nfs/dbraw/zinc/79/35/90/568793590.db2.gz WVASHTRQOJJJRO-HZPDHXFCSA-N 0 0 428.426 4.186 50 0 IIAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCC[C@H](C)C1 ZINC000084234930 568796569 /nfs/dbraw/zinc/79/65/69/568796569.db2.gz KTTFRASFFDAQLE-ZUEVXXBESA-N 0 0 449.473 4.324 50 0 IIAARN CC(C)C[C@@H](CCO)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC000084457032 568798062 /nfs/dbraw/zinc/79/80/62/568798062.db2.gz CFWWHVDFVRDJJX-OAHLLOKOSA-N 0 0 426.483 4.184 50 0 IIAARN O=C(NCc1cc(Br)ccc1OC(F)F)C1=NO[C@@H](c2ccccc2)C1 ZINC000084525325 568798437 /nfs/dbraw/zinc/79/84/37/568798437.db2.gz HBMZMDRTEAUTCI-MRXNPFEDSA-N 0 0 425.229 4.184 50 0 IIAARN O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000084569444 568798847 /nfs/dbraw/zinc/79/88/47/568798847.db2.gz DIUZUQUIGNNPRM-OAQYLSRUSA-N 0 0 438.325 4.266 50 0 IIAARN O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000084579021 568799034 /nfs/dbraw/zinc/79/90/34/568799034.db2.gz IWZCZXATYXCLEW-IRXDYDNUSA-N 0 0 431.355 4.155 50 0 IIAARN COc1ccc2c(CN3CCN([C@H](C)c4nc5ccccc5s4)CC3)cc(=O)oc2c1 ZINC000084667958 568799839 /nfs/dbraw/zinc/79/98/39/568799839.db2.gz GSNXRIWPUOPPFQ-MRXNPFEDSA-N 0 0 435.549 4.290 50 0 IIAARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(C2SCCS2)cc1 ZINC000015638752 568800734 /nfs/dbraw/zinc/80/07/34/568800734.db2.gz YNWDDXMBIRMLJH-KRWDZBQOSA-N 0 0 428.579 4.326 50 0 IIAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000025953718 568800932 /nfs/dbraw/zinc/80/09/32/568800932.db2.gz JVEUROMCOWVQFY-UHFFFAOYSA-N 0 0 445.953 4.219 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1Cl ZINC000015669378 568801911 /nfs/dbraw/zinc/80/19/11/568801911.db2.gz KCJGXKZYZYPKCG-UHFFFAOYSA-N 0 0 443.956 4.387 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)cc1 ZINC000015670414 568801996 /nfs/dbraw/zinc/80/19/96/568801996.db2.gz BCQPTCHTRBYJBM-SFHVURJKSA-N 0 0 446.898 4.169 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000015670144 568802128 /nfs/dbraw/zinc/80/21/28/568802128.db2.gz FSFFTDPTVLUWAG-GOSISDBHSA-N 0 0 432.434 4.093 50 0 IIAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2F)CC1 ZINC000015670024 568802139 /nfs/dbraw/zinc/80/21/39/568802139.db2.gz QBHIIPNVFAOZGL-UHFFFAOYSA-N 0 0 428.895 4.201 50 0 IIAARN COCCCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675777 568803928 /nfs/dbraw/zinc/80/39/28/568803928.db2.gz CWSIKUYWLUGWCY-DEOSSOPVSA-N 0 0 429.561 4.023 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1OC ZINC000001439917 568804812 /nfs/dbraw/zinc/80/48/12/568804812.db2.gz GDLJQKUCYKLTTL-UHFFFAOYSA-N 0 0 435.299 4.491 50 0 IIAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccccc1OC ZINC000015680321 568806074 /nfs/dbraw/zinc/80/60/74/568806074.db2.gz NDASSWCQULAMSR-UHFFFAOYSA-N 0 0 443.525 4.102 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2-n2cccc2)cc1 ZINC000015681288 568806504 /nfs/dbraw/zinc/80/65/04/568806504.db2.gz QXPJXRPNLFCBPE-UHFFFAOYSA-N 0 0 441.535 4.056 50 0 IIAARN COc1cccc(NC(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)c1 ZINC000015735091 568816659 /nfs/dbraw/zinc/81/66/59/568816659.db2.gz JLEZAKNTTDXYTO-UHFFFAOYSA-N 0 0 436.537 4.047 50 0 IIAARN COc1cc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)cc(OC)c1 ZINC000015735964 568816805 /nfs/dbraw/zinc/81/68/05/568816805.db2.gz BBKHCFQBZHWZTN-UHFFFAOYSA-N 0 0 433.512 4.275 50 0 IIAARN CNC(=O)c1cc(C(=O)c2ccc3[nH]c(Nc4cccc(C(F)(F)F)c4)nc3c2)ccn1 ZINC000085393787 568817046 /nfs/dbraw/zinc/81/70/46/568817046.db2.gz DZMJDXYSAYRNBD-UHFFFAOYSA-N 0 0 439.397 4.311 50 0 IIAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c2c1OCCO2 ZINC000085412020 568818088 /nfs/dbraw/zinc/81/80/88/568818088.db2.gz UXYFLBUEBBCGIJ-FQEVSTJZSA-N 0 0 445.541 4.356 50 0 IIAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 ZINC000025985234 568818988 /nfs/dbraw/zinc/81/89/88/568818988.db2.gz PATYUFDSXHGJNN-UHFFFAOYSA-N 0 0 432.501 4.378 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1Cl ZINC000011903638 568819210 /nfs/dbraw/zinc/81/92/10/568819210.db2.gz DDZXGOVWHDDCMX-UHFFFAOYSA-N 0 0 429.929 4.062 50 0 IIAARN COc1cc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000001455379 568819258 /nfs/dbraw/zinc/81/92/58/568819258.db2.gz IMPHUJKWTHQSKD-DEOSSOPVSA-N 0 0 446.503 4.205 50 0 IIAARN COc1ccccc1NC(=O)N(Cc1cc(Cl)ccc1OS(C)(=O)=O)CC1CC1 ZINC000085422744 568819668 /nfs/dbraw/zinc/81/96/68/568819668.db2.gz OQVODUNNOXWFQR-UHFFFAOYSA-N 0 0 438.933 4.131 50 0 IIAARN Brc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)s1 ZINC000015779176 568824710 /nfs/dbraw/zinc/82/47/10/568824710.db2.gz PLEQUOVZHZGJJW-UHFFFAOYSA-N 0 0 445.342 4.331 50 0 IIAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)ccc1F ZINC000015780995 568825175 /nfs/dbraw/zinc/82/51/75/568825175.db2.gz UMKYPHPDFCUIQS-FQEVSTJZSA-N 0 0 435.517 4.209 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)cc1 ZINC000015781216 568825754 /nfs/dbraw/zinc/82/57/54/568825754.db2.gz YWJDEGGIQGCSAU-YFZSMNHSSA-N 0 0 443.565 4.136 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccco2)cc1 ZINC000015781128 568825798 /nfs/dbraw/zinc/82/57/98/568825798.db2.gz NXMMKPJAPRTJPD-SFHVURJKSA-N 0 0 437.876 4.026 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000015781672 568825987 /nfs/dbraw/zinc/82/59/87/568825987.db2.gz KHRPKFWFIVPGGJ-IBGZPJMESA-N 0 0 430.476 4.318 50 0 IIAARN Cc1[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000085598016 568825992 /nfs/dbraw/zinc/82/59/92/568825992.db2.gz GGIMARCLKFUOLX-UHFFFAOYSA-N 0 0 443.491 4.323 50 0 IIAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O ZINC000015783372 568826373 /nfs/dbraw/zinc/82/63/73/568826373.db2.gz XMBBHIZHUGDUTN-KRWDZBQOSA-N 0 0 426.929 4.471 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 ZINC000015783887 568826614 /nfs/dbraw/zinc/82/66/14/568826614.db2.gz QDJWYWAWMYJPIC-UHFFFAOYSA-N 0 0 440.594 4.212 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1C ZINC000015783967 568826744 /nfs/dbraw/zinc/82/67/44/568826744.db2.gz BKYFHSKWWGIQTG-UHFFFAOYSA-N 0 0 444.557 4.043 50 0 IIAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000085644158 568829225 /nfs/dbraw/zinc/82/92/25/568829225.db2.gz RMYLCWKDDCCJHO-UHFFFAOYSA-N 0 0 438.461 4.149 50 0 IIAARN CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC)cc4)no3)n2)cc1 ZINC000085644388 568829486 /nfs/dbraw/zinc/82/94/86/568829486.db2.gz AQDNGMRDNSDARV-UHFFFAOYSA-N 0 0 432.480 4.196 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)c1ccccc1S2 ZINC000015784942 568829737 /nfs/dbraw/zinc/82/97/37/568829737.db2.gz OZFAVDKYGRJGOF-UHFFFAOYSA-N 0 0 444.512 4.174 50 0 IIAARN COc1cccc(NS(=O)(=O)c2cc(-c3ccc(-n4nc(C)cc4C)nn3)ccc2C)c1 ZINC000085651951 568831624 /nfs/dbraw/zinc/83/16/24/568831624.db2.gz DLNBOZZXSTWCRV-UHFFFAOYSA-N 0 0 449.536 4.064 50 0 IIAARN O=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000583652802 568837720 /nfs/dbraw/zinc/83/77/20/568837720.db2.gz XOTNHHRQTKJSRU-LOSJGSFVSA-N 0 0 425.532 4.403 50 0 biogenic IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cnn(C(C)C)c2)cc1 ZINC000085877291 568838560 /nfs/dbraw/zinc/83/85/60/568838560.db2.gz DPYAYPBFEDFWGW-KRWDZBQOSA-N 0 0 446.459 4.393 50 0 biogenic IIAARN Cc1c(CCNS(=O)(=O)c2ccc(C)c(C)c2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000015823494 568840246 /nfs/dbraw/zinc/84/02/46/568840246.db2.gz XVCTYOBUNJKJEB-UHFFFAOYSA-N 0 0 440.594 4.212 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cccc(Cl)c1 ZINC000015824001 568840339 /nfs/dbraw/zinc/84/03/39/568840339.db2.gz SOBLWJOPKVKMPA-UHFFFAOYSA-N 0 0 436.946 4.213 50 0 IIAARN O=C(CSc1nnc(N2CCOCC2)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000015829850 568841397 /nfs/dbraw/zinc/84/13/97/568841397.db2.gz HJUYPHUCGNUENF-UHFFFAOYSA-N 0 0 448.470 4.216 50 0 IIAARN O=C(N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000003137326 568841758 /nfs/dbraw/zinc/84/17/58/568841758.db2.gz DQHFZIFVNLZOMP-LBPRGKRZSA-N 0 0 427.140 4.346 50 0 IIAARN O=C(CSC(=S)N1CCSCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000038216761 568842968 /nfs/dbraw/zinc/84/29/68/568842968.db2.gz FTMRHYYQCLKPLU-HXUWFJFHSA-N 0 0 441.647 4.431 50 0 IIAARN O=C(CSC(=S)N1CCN(c2ccccc2)CC1)Nc1nc2ccccc2s1 ZINC000043214984 568843194 /nfs/dbraw/zinc/84/31/94/568843194.db2.gz GJJIIDOOADEMMA-UHFFFAOYSA-N 0 0 428.608 4.075 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000015865797 568850458 /nfs/dbraw/zinc/85/04/58/568850458.db2.gz VLQPOABCHFJSNC-KRWDZBQOSA-N 0 0 438.933 4.069 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000015865778 568850460 /nfs/dbraw/zinc/85/04/60/568850460.db2.gz SEKLFQZPCKXMTP-GOSISDBHSA-N 0 0 434.970 4.238 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000015865779 568850569 /nfs/dbraw/zinc/85/05/69/568850569.db2.gz SEKLFQZPCKXMTP-SFHVURJKSA-N 0 0 434.970 4.238 50 0 IIAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000015881310 568855121 /nfs/dbraw/zinc/85/51/21/568855121.db2.gz JTYFSUDDHHWXEE-UHFFFAOYSA-N 0 0 429.451 4.227 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000015881099 568855748 /nfs/dbraw/zinc/85/57/48/568855748.db2.gz NUVCRSKQDLVLBX-UHFFFAOYSA-N 0 0 437.536 4.394 50 0 IIAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000015882563 568857086 /nfs/dbraw/zinc/85/70/86/568857086.db2.gz MAADQSNEAAVTBB-JOCHJYFZSA-N 0 0 436.353 4.374 50 0 IIAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(Br)cc1 ZINC000015883640 568857802 /nfs/dbraw/zinc/85/78/02/568857802.db2.gz LGVIPANQZYKIFM-UHFFFAOYSA-N 0 0 448.386 4.030 50 0 IIAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2nc(C)cs2)cc1=O ZINC000015883843 568858062 /nfs/dbraw/zinc/85/80/62/568858062.db2.gz PCDARRWWIKQLAV-UHFFFAOYSA-N 0 0 429.567 4.170 50 0 IIAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 ZINC000012897382 568858510 /nfs/dbraw/zinc/85/85/10/568858510.db2.gz UHWBAZSENPKICV-FQEVSTJZSA-N 0 0 437.956 4.016 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955192 568859612 /nfs/dbraw/zinc/85/96/12/568859612.db2.gz OIPMLQRSGHHVDU-NYMACZPPSA-N 0 0 436.552 4.339 50 0 biogenic IIAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000016009932 568862697 /nfs/dbraw/zinc/86/26/97/568862697.db2.gz FYEQJOPASNBIDX-IUODEOHRSA-N 0 0 443.953 4.309 50 0 IIAARN Cc1ccc(N2C(=S)N[C@@H](c3ccccc3OC(F)F)C(C(=O)N(C)C)=C2C)cc1 ZINC000016055032 568869618 /nfs/dbraw/zinc/86/96/18/568869618.db2.gz BZHOBJNQBHUXTH-IBGZPJMESA-N 0 0 431.508 4.394 50 0 IIAARN CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000012941037 568869676 /nfs/dbraw/zinc/86/96/76/568869676.db2.gz ZMBVXMVVPJMJME-HXUWFJFHSA-N 0 0 445.519 4.039 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)[C@@H](C)Nc1ncnc3sc(C)c(C)c31)O[C@@H](C)C2 ZINC000012940897 568869840 /nfs/dbraw/zinc/86/98/40/568869840.db2.gz WZIIXMVJUZHXBA-GXTWGEPZSA-N 0 0 440.569 4.147 50 0 IIAARN Cc1nc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)sc1C ZINC000575444494 568869980 /nfs/dbraw/zinc/86/99/80/568869980.db2.gz JSFVWNBGWIXLRW-QGZVFWFLSA-N 0 0 428.558 4.326 50 0 IIAARN CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1S(=O)(=O)N1CCCC1 ZINC000012942769 568870138 /nfs/dbraw/zinc/87/01/38/568870138.db2.gz HGKPTGDIBXXHPS-UHFFFAOYSA-N 0 0 446.544 4.069 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000053517372 568876455 /nfs/dbraw/zinc/87/64/55/568876455.db2.gz WHVZHYBQARIWIF-DEOSSOPVSA-N 0 0 444.510 4.486 50 0 IIAARN Cc1cc(C)n([C@H](CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccsc2)n1 ZINC000575613672 568879701 /nfs/dbraw/zinc/87/97/01/568879701.db2.gz JVVFFZNSOCEROP-GOSISDBHSA-N 0 0 443.516 4.289 50 0 IIAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000026562935 568880327 /nfs/dbraw/zinc/88/03/27/568880327.db2.gz YHLHBELENXICQX-UHFFFAOYSA-N 0 0 439.943 4.415 50 0 IIAARN COc1cc(OC)cc(C(=O)N(CCCn2ccnc2)c2nc3c(cccc3F)s2)c1 ZINC000010337710 568884379 /nfs/dbraw/zinc/88/43/79/568884379.db2.gz QSFMOMPMSUHHNE-UHFFFAOYSA-N 0 0 440.500 4.386 50 0 IIAARN O=C(CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O)NCc1ccc(F)cc1 ZINC000102426653 568884805 /nfs/dbraw/zinc/88/48/05/568884805.db2.gz UGKWGIJHBBJEIU-UHFFFAOYSA-N 0 0 436.874 4.048 50 0 IIAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000037341874 568884816 /nfs/dbraw/zinc/88/48/16/568884816.db2.gz SPUWELVAWZVXDJ-GLDPYIMESA-N 0 0 437.536 4.342 50 0 IIAARN COc1ccc2cc(C(=O)N3CC(c4nc(-c5cccc(C(F)(F)F)c5)no4)C3)[nH]c2c1 ZINC000090567220 568887918 /nfs/dbraw/zinc/88/79/18/568887918.db2.gz DWCSUTQKPLDYQH-UHFFFAOYSA-N 0 0 442.397 4.485 50 0 IIAARN Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000090592881 568888741 /nfs/dbraw/zinc/88/87/41/568888741.db2.gz IWBDFZFJRVPITN-UHFFFAOYSA-N 0 0 435.596 4.253 50 0 IIAARN O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 ZINC000090607989 568890558 /nfs/dbraw/zinc/89/05/58/568890558.db2.gz CXONFXFXWDEPIE-UHFFFAOYSA-N 0 0 425.496 4.123 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(Cl)c1 ZINC000090608010 568890796 /nfs/dbraw/zinc/89/07/96/568890796.db2.gz VPYLEHIXESBFGX-UHFFFAOYSA-N 0 0 437.935 4.240 50 0 IIAARN COc1ccc(-c2nn(CN3CCC[C@H]3c3cc(OC)ccc3OC)c(=S)[nH]2)cc1 ZINC000012984725 568895501 /nfs/dbraw/zinc/89/55/01/568895501.db2.gz AJFXCSYDCKICOM-IBGZPJMESA-N 0 0 426.542 4.428 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)N(C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)cc12 ZINC000012984257 568895529 /nfs/dbraw/zinc/89/55/29/568895529.db2.gz OWKMPEQBKYSKIH-UHFFFAOYSA-N 0 0 436.947 4.064 50 0 IIAARN O=C(/C=C/c1ccc(Br)o1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040081801 568896456 /nfs/dbraw/zinc/89/64/56/568896456.db2.gz FPLACUDIKXMALA-NCUBBLFSSA-N 0 0 426.314 4.494 50 0 IIAARN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccc(Br)s2)c1 ZINC000013001940 568898319 /nfs/dbraw/zinc/89/83/19/568898319.db2.gz VEPQJEUKMSUEMB-UHFFFAOYSA-N 0 0 438.391 4.063 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000013009163 568899761 /nfs/dbraw/zinc/89/97/61/568899761.db2.gz FQSLUFDQPPSWDU-CJNGLKHVSA-N 0 0 429.369 4.012 50 0 IIAARN CCC[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013011235 568900188 /nfs/dbraw/zinc/90/01/88/568900188.db2.gz KHEVNEYDQYBGSF-QVKFZJNVSA-N 0 0 447.988 4.016 50 0 IIAARN Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2s1 ZINC000013011547 568901156 /nfs/dbraw/zinc/90/11/56/568901156.db2.gz OPBWYXXZCSQWIV-UHFFFAOYSA-N 0 0 435.958 4.295 50 0 IIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Br)s3)cs1)CS2 ZINC000013020503 568902031 /nfs/dbraw/zinc/90/20/31/568902031.db2.gz CUDVVTPNDZGBLV-RFAUZJTJSA-N 0 0 444.401 4.027 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2ccccc2cc1O ZINC000013019974 568902112 /nfs/dbraw/zinc/90/21/12/568902112.db2.gz DXZHACBZGDYCMI-UHFFFAOYSA-N 0 0 427.298 4.327 50 0 IIAARN O=C(Cc1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000013021426 568902333 /nfs/dbraw/zinc/90/23/33/568902333.db2.gz QKWQBQOPRPHRQL-UHFFFAOYSA-N 0 0 431.517 4.083 50 0 IIAARN Brc1cccc(-c2nc(CSc3nnnn3C[C@@H]3CCCO3)cs2)c1 ZINC000013023455 568902525 /nfs/dbraw/zinc/90/25/25/568902525.db2.gz WCAWEBVGIPXYJI-AWEZNQCLSA-N 0 0 438.376 4.030 50 0 IIAARN CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000503918189 568903546 /nfs/dbraw/zinc/90/35/46/568903546.db2.gz ZUZBFNNMSSNIBD-VDABOFBKSA-N 0 0 427.541 4.057 50 0 biogenic IIAARN CCc1ccc([C@H](NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2cccc(F)c2)cc1 ZINC000026666295 568905911 /nfs/dbraw/zinc/90/59/11/568905911.db2.gz CLPIONGSWZMWMB-QFIPXVFZSA-N 0 0 432.417 4.474 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccc(F)cc3)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000001785643 568907281 /nfs/dbraw/zinc/90/72/81/568907281.db2.gz RLVHOMWQSPMNAY-UHFFFAOYSA-N 0 0 448.523 4.260 50 0 IIAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000001785787 568907574 /nfs/dbraw/zinc/90/75/74/568907574.db2.gz CAAVPDSGOIJABL-CQSZACIVSA-N 0 0 425.437 4.404 50 0 IIAARN CC(C)[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000390832733 568909438 /nfs/dbraw/zinc/90/94/38/568909438.db2.gz SOXFWCHWFGPACR-DHIUTWEWSA-N 0 0 430.504 4.364 50 0 IIAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000241135447 568912144 /nfs/dbraw/zinc/91/21/44/568912144.db2.gz JPJLZZSFOAINIP-YADARESESA-N 0 0 432.549 4.174 50 0 IIAARN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245255618 568913810 /nfs/dbraw/zinc/91/38/10/568913810.db2.gz JGAJFXCWXVFBRT-JCNLHEQBSA-N 0 0 429.517 4.030 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000245309671 568914353 /nfs/dbraw/zinc/91/43/53/568914353.db2.gz FGLYMLHCRSZOMT-GSPCLOLRSA-N 0 0 440.524 4.455 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000245309965 568914629 /nfs/dbraw/zinc/91/46/29/568914629.db2.gz GLVBQKOMRGPEFT-DNVJHFABSA-N 0 0 432.451 4.276 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000245313097 568914819 /nfs/dbraw/zinc/91/48/19/568914819.db2.gz ZXXBAAIJVVBJMR-DFCKQENNSA-N 0 0 438.568 4.319 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000245329227 568915315 /nfs/dbraw/zinc/91/53/15/568915315.db2.gz YJJJOTODILVMKC-ZHRRBRCNSA-N 0 0 430.504 4.108 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3Cl)[C@H]2C1=O ZINC000248259775 568919023 /nfs/dbraw/zinc/91/90/23/568919023.db2.gz VVJOFZYHVPYVJR-ANULTFPQSA-N 0 0 434.923 4.207 50 0 IIAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1cccc(Cl)c1 ZINC000001907083 568919491 /nfs/dbraw/zinc/91/94/91/568919491.db2.gz FLBZGQVDCCAJNV-UHFFFAOYSA-N 0 0 438.896 4.222 50 0 IIAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 ZINC000016517491 568920560 /nfs/dbraw/zinc/92/05/60/568920560.db2.gz SUNFIAGHWNQQOK-IBGZPJMESA-N 0 0 446.406 4.125 50 0 IIAARN CCCCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 ZINC000001912592 568922460 /nfs/dbraw/zinc/92/24/60/568922460.db2.gz XYTOTVVGGMHGOL-IBGZPJMESA-N 0 0 448.548 4.117 50 0 IIAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917017 568922640 /nfs/dbraw/zinc/92/26/40/568922640.db2.gz XSCIABNMMAMEPH-NRFANRHFSA-N 0 0 436.508 4.003 50 0 IIAARN Cc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001926309 568923356 /nfs/dbraw/zinc/92/33/56/568923356.db2.gz PHKUUSVBFIVNMU-UHFFFAOYSA-N 0 0 443.477 4.338 50 0 IIAARN O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccccc1CN1CCOCC1 ZINC000026911113 568924420 /nfs/dbraw/zinc/92/44/20/568924420.db2.gz NPRAMQSQWBAGQG-UHFFFAOYSA-N 0 0 448.013 4.190 50 0 IIAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000089420111 568924503 /nfs/dbraw/zinc/92/45/03/568924503.db2.gz XTHMAVVGGZBGIR-KSSFIOAISA-N 0 0 441.329 4.365 50 0 IIAARN COC(=O)c1ccc(N2C(=O)Cc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000002151141 568925120 /nfs/dbraw/zinc/92/51/20/568925120.db2.gz DTPLQTGPGZWYAT-VWLOTQADSA-N 0 0 447.487 4.178 50 0 biogenic IIAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)c3ccco3)cc2)C(C(=O)OCC(C)C)=C1C ZINC000016609176 568925570 /nfs/dbraw/zinc/92/55/70/568925570.db2.gz OESJUGUWFFJSAW-FQEVSTJZSA-N 0 0 441.553 4.256 50 0 IIAARN Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1cccc(Br)c1)CC2 ZINC000035829752 568928025 /nfs/dbraw/zinc/92/80/25/568928025.db2.gz OVBRKHHDLAMNCS-UHFFFAOYSA-N 0 0 444.377 4.374 50 0 IIAARN Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Br)cc2)no1 ZINC000064438844 568928057 /nfs/dbraw/zinc/92/80/57/568928057.db2.gz LUIWKHKSYFEPAR-UHFFFAOYSA-N 0 0 435.328 4.100 50 0 IIAARN CCC(=O)N1CCN(c2nn3c(nc(-c4ccc(C)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450847 568928857 /nfs/dbraw/zinc/92/88/57/568928857.db2.gz DFGBRIFLYKGUDX-UHFFFAOYSA-N 0 0 438.601 4.179 50 0 IIAARN COc1cc([C@@H]2OC(c3cc(Br)ccc3OC(C)C)=NN2C(C)=O)ccc1O ZINC000064567414 568933492 /nfs/dbraw/zinc/93/34/92/568933492.db2.gz MQFCBTKQIARFTB-FQEVSTJZSA-N 0 0 449.301 4.190 50 0 IIAARN Cc1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1 ZINC000064578768 568934032 /nfs/dbraw/zinc/93/40/32/568934032.db2.gz YIQXKQCECAJVRJ-UHFFFAOYSA-N 0 0 444.514 4.218 50 0 IIAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000064579684 568934328 /nfs/dbraw/zinc/93/43/28/568934328.db2.gz PVSJRAYIVNNUQL-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN O=C([O-])c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589491 568934950 /nfs/dbraw/zinc/93/49/50/568934950.db2.gz SQGOHZIXSNCNAQ-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccccc2c1=O ZINC000006600197 568935576 /nfs/dbraw/zinc/93/55/76/568935576.db2.gz ZDSTZPRCGZARAI-UHFFFAOYSA-N 0 0 439.581 4.479 50 0 IIAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000006600203 568935625 /nfs/dbraw/zinc/93/56/25/568935625.db2.gz UOYACVQOZRWYKF-UHFFFAOYSA-N 0 0 431.945 4.207 50 0 IIAARN Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccncc1 ZINC000089545065 568936977 /nfs/dbraw/zinc/93/69/77/568936977.db2.gz SOUIAWMAEYWTQQ-TZMCWYRMSA-N 0 0 447.322 4.305 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000064605342 568939468 /nfs/dbraw/zinc/93/94/68/568939468.db2.gz VYXCGTNHDOTWQH-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2c(F)cccc2F)cc1 ZINC000064656951 568942407 /nfs/dbraw/zinc/94/24/07/568942407.db2.gz IYKCKRHFHBOUFN-CYBMUJFWSA-N 0 0 435.473 4.342 50 0 IIAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(F)cc2F)CC3)cc1 ZINC000064660258 568942481 /nfs/dbraw/zinc/94/24/81/568942481.db2.gz RJRPYSYPTVPUIA-UHFFFAOYSA-N 0 0 436.505 4.234 50 0 IIAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)c1 ZINC000064660281 568942520 /nfs/dbraw/zinc/94/25/20/568942520.db2.gz OGMMQOANOCGYKB-UHFFFAOYSA-N 0 0 428.579 4.491 50 0 IIAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)c1 ZINC000064660327 568942554 /nfs/dbraw/zinc/94/25/54/568942554.db2.gz FFFCJAHIPIVLFQ-UHFFFAOYSA-N 0 0 428.579 4.491 50 0 IIAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)NC5CCCCC5)n4ccn3n2)cc1C ZINC000064712581 568944799 /nfs/dbraw/zinc/94/47/99/568944799.db2.gz BANQKKDOPRPRRX-UHFFFAOYSA-N 0 0 434.569 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CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OC)cc2)cc1 ZINC000064872125 568977766 /nfs/dbraw/zinc/97/77/66/568977766.db2.gz SQHRHDSBXQXWPK-UHFFFAOYSA-N 0 0 430.551 4.397 50 0 IIAARN Cc1ccc(-c2nnc3c(=O)n(CC(=O)Nc4cc(C)cc(C)c4)c4ccccc4n23)cc1 ZINC000064871778 568977911 /nfs/dbraw/zinc/97/79/11/568977911.db2.gz FNWWHHHXAWVGJC-UHFFFAOYSA-N 0 0 437.503 4.275 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)c(OC)c1 ZINC000064872852 568978131 /nfs/dbraw/zinc/97/81/31/568978131.db2.gz YRWWRVHDJYWGLY-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN CCOc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888180 568979344 /nfs/dbraw/zinc/97/93/44/568979344.db2.gz LCQADXKWYJDJAB-UHFFFAOYSA-N 0 0 449.576 4.199 50 0 IIAARN COc1cc(OC)cc(N(Cc2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246529 568981980 /nfs/dbraw/zinc/98/19/80/568981980.db2.gz CKFIFHNJCLJTDZ-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN COc1ccc(N(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2F)cc1 ZINC000036247516 568982205 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4.189 50 0 IIAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928827 568987800 /nfs/dbraw/zinc/98/78/00/568987800.db2.gz BGVVQEXAPGXKFL-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN O=C(CCC1CCCC1)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064930247 568988663 /nfs/dbraw/zinc/98/86/63/568988663.db2.gz WHZWOTNWTPZWIQ-MRXNPFEDSA-N 0 0 442.541 4.153 50 0 IIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930501 568988908 /nfs/dbraw/zinc/98/89/08/568988908.db2.gz KEKXENYOOFKTQE-INIZCTEOSA-N 0 0 441.488 4.307 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930595 568989055 /nfs/dbraw/zinc/98/90/55/568989055.db2.gz STFUGKICWKOWHY-GOSISDBHSA-N 0 0 437.525 4.476 50 0 IIAARN CC1(C)C=C(CN2CCN(c3ncccn3)CC2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681477 568992150 /nfs/dbraw/zinc/99/21/50/568992150.db2.gz KGBVWWAIWIDIDW-UHFFFAOYSA-N 0 0 439.563 4.121 50 0 IIAARN COc1ccc(C)cc1NC(=O)Cn1c(C)ccc(NC(=O)Nc2cccc(C)c2)c1=O ZINC000169681258 568992902 /nfs/dbraw/zinc/99/29/02/568992902.db2.gz HYUSOERXRDBHSU-UHFFFAOYSA-N 0 0 434.496 4.065 50 0 IIAARN O=C(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)Nc1ccc(F)c(Cl)c1 ZINC000064945258 568993424 /nfs/dbraw/zinc/99/34/24/568993424.db2.gz GKZUQSXPNOYCCI-UHFFFAOYSA-N 0 0 446.891 4.341 50 0 IIAARN CC(C)c1nnc2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc3n21 ZINC000064949272 568995010 /nfs/dbraw/zinc/99/50/10/568995010.db2.gz ZCQXODJUDFXWLM-UHFFFAOYSA-N 0 0 425.945 4.463 50 0 IIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1 ZINC000064947456 568995208 /nfs/dbraw/zinc/99/52/08/568995208.db2.gz NBFYFKMRQXFYPG-UHFFFAOYSA-N 0 0 426.523 4.248 50 0 IIAARN CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312099 568997522 /nfs/dbraw/zinc/99/75/22/568997522.db2.gz XWHKBNNFUMHGRO-UHFFFAOYSA-N 0 0 440.519 4.010 50 0 IIAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1 ZINC000036312201 568997663 /nfs/dbraw/zinc/99/76/63/568997663.db2.gz SGLLACXMABBKTH-UHFFFAOYSA-N 0 0 428.552 4.161 50 0 IIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2F)C2CC2)c1 ZINC000036314266 568998916 /nfs/dbraw/zinc/99/89/16/568998916.db2.gz CTSJMEQWERCSPB-UHFFFAOYSA-N 0 0 435.499 4.431 50 0 IIAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000064956841 568999339 /nfs/dbraw/zinc/99/93/39/568999339.db2.gz CGVOOCKWDHKHQD-UHFFFAOYSA-N 0 0 427.476 4.268 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H](OCc3ccc(Br)cc3)C2)c1 ZINC000036314975 568999461 /nfs/dbraw/zinc/99/94/61/568999461.db2.gz BHQRHPOJFYSUKW-GOSISDBHSA-N 0 0 434.330 4.288 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3cccc(OC(F)(F)F)c3)C2)c1 ZINC000036315464 568999616 /nfs/dbraw/zinc/99/96/16/568999616.db2.gz AFBDDRYUEDYOGQ-SFHVURJKSA-N 0 0 439.430 4.424 50 0 IIAARN CCc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000064959213 568999668 /nfs/dbraw/zinc/99/96/68/568999668.db2.gz WFNOVIMKMSAOJE-QGZVFWFLSA-N 0 0 446.503 4.120 50 0 IIAARN COc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)n1 ZINC000064960815 569000393 /nfs/dbraw/zinc/00/03/93/569000393.db2.gz LDGXADCNAJBREN-UHFFFAOYSA-N 0 0 441.553 4.437 50 0 IIAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(OC)c(OC)c4)cc3o2)cc1 ZINC000064968454 569076127 /nfs/dbraw/zinc/07/61/27/569076127.db2.gz JITKDSFADXYFLC-UHFFFAOYSA-N 0 0 432.476 4.374 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C)c(F)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970972 569076453 /nfs/dbraw/zinc/07/64/53/569076453.db2.gz TUNVRNKAJNQISD-FQEVSTJZSA-N 0 0 433.487 4.236 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(C)c(F)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970975 569076455 /nfs/dbraw/zinc/07/64/55/569076455.db2.gz TUNVRNKAJNQISD-HXUWFJFHSA-N 0 0 433.487 4.236 50 0 IIAARN Cc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O ZINC000064971823 569076870 /nfs/dbraw/zinc/07/68/70/569076870.db2.gz GRZYLWDGNUQMPO-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN Cc1ccccc1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064977026 569077391 /nfs/dbraw/zinc/07/73/91/569077391.db2.gz LCDYGMWWMSJCGB-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)cc2C)c(C)n3C)c1 ZINC000064977684 569077556 /nfs/dbraw/zinc/07/75/56/569077556.db2.gz BBQCWIIMSVIUHO-UHFFFAOYSA-N 0 0 444.535 4.205 50 0 IIAARN O=C(CCn1cnc2ccccc21)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000064978256 569077842 /nfs/dbraw/zinc/07/78/42/569077842.db2.gz UTXRITUNYNRHMS-UHFFFAOYSA-N 0 0 442.494 4.085 50 0 IIAARN COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c1 ZINC000064978294 569077858 /nfs/dbraw/zinc/07/78/58/569077858.db2.gz KFDZRDQCTYPDPB-UHFFFAOYSA-N 0 0 430.504 4.145 50 0 IIAARN CCCN1c2ccc(NC(=O)CNC(=O)c3ccco3)cc2Sc2ccccc2C1=O ZINC000064979743 569078238 /nfs/dbraw/zinc/07/82/38/569078238.db2.gz KCPHAJFSHQDVEA-UHFFFAOYSA-N 0 0 435.505 4.170 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCCCC2)c1 ZINC000036341721 569078986 /nfs/dbraw/zinc/07/89/86/569078986.db2.gz MHDMJJGTMVSHEN-JOCHJYFZSA-N 0 0 425.504 4.007 50 0 IIAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCCCC2)c1 ZINC000036341679 569079410 /nfs/dbraw/zinc/07/94/10/569079410.db2.gz YJOPYYOKZPXYQV-DEOSSOPVSA-N 0 0 435.568 4.484 50 0 IIAARN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036342092 569079582 /nfs/dbraw/zinc/07/95/82/569079582.db2.gz HGHNGLNLWXALNI-JOCHJYFZSA-N 0 0 439.531 4.474 50 0 IIAARN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346369 569081022 /nfs/dbraw/zinc/08/10/22/569081022.db2.gz PHCOKKZFZOZWSK-QFIPXVFZSA-N 0 0 439.531 4.474 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc2c(cc1C)OCCCO2 ZINC000064987177 569082381 /nfs/dbraw/zinc/08/23/81/569082381.db2.gz IMJQLGYVOHFGJN-UHFFFAOYSA-N 0 0 438.553 4.474 50 0 IIAARN CC(C)n1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987283 569082446 /nfs/dbraw/zinc/08/24/46/569082446.db2.gz PQVUMTZESHGCLP-UHFFFAOYSA-N 0 0 430.574 4.038 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O)C1CCCCC1 ZINC000064987672 569082673 /nfs/dbraw/zinc/08/26/73/569082673.db2.gz LPSNICYSXIISLC-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O)C1CCCCC1 ZINC000064987676 569082686 /nfs/dbraw/zinc/08/26/86/569082686.db2.gz ZFKKVEVPMAAMLY-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(OC)c4)ccc3C[C@@H]2C)cc1 ZINC000064990127 569083167 /nfs/dbraw/zinc/08/31/67/569083167.db2.gz AQYSPGMJYBIYFU-KRWDZBQOSA-N 0 0 430.504 4.225 50 0 biogenic IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccccc4OC)ccc3C[C@H]2C)cc1 ZINC000064990223 569083241 /nfs/dbraw/zinc/08/32/41/569083241.db2.gz MGGOQMZYJHJODX-QGZVFWFLSA-N 0 0 430.504 4.225 50 0 biogenic IIAARN COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990511 569083299 /nfs/dbraw/zinc/08/32/99/569083299.db2.gz GUGDOOUZDQNRCF-QGZVFWFLSA-N 0 0 443.503 4.386 50 0 IIAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCc4ccc(F)cc4)cc32)cc1 ZINC000064990790 569083446 /nfs/dbraw/zinc/08/34/46/569083446.db2.gz FWHZFOKQDQZUNT-UHFFFAOYSA-N 0 0 433.483 4.037 50 0 IIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000036353420 569083867 /nfs/dbraw/zinc/08/38/67/569083867.db2.gz XNWLYMHLAHODGL-RPWUZVMVSA-N 0 0 443.503 4.203 50 0 IIAARN COC(=O)c1c(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)c(C)nn1C ZINC000036356868 569084469 /nfs/dbraw/zinc/08/44/69/569084469.db2.gz CSBBSKHQHVSPTI-UHFFFAOYSA-N 0 0 426.860 4.017 50 0 IIAARN CN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1csc(Br)c1 ZINC000064994191 569085164 /nfs/dbraw/zinc/08/51/64/569085164.db2.gz ODUYJVUSMKOTDN-UHFFFAOYSA-N 0 0 433.318 4.202 50 0 IIAARN Cc1ccc(-n2cc3c(c(C(=O)NCc4cccc(F)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000538 569086027 /nfs/dbraw/zinc/08/60/27/569086027.db2.gz CTJKARTXWWBMFN-UHFFFAOYSA-N 0 0 432.495 4.370 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999560 569086146 /nfs/dbraw/zinc/08/61/46/569086146.db2.gz GFCANARDLZJUEW-UHFFFAOYSA-N 0 0 444.553 4.269 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2ccc(OC)c(Cl)c2)c3=O)cc1 ZINC000036367010 569086998 /nfs/dbraw/zinc/08/69/98/569086998.db2.gz REEWUKCWXXBSGW-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN CC(=O)Nc1ccccc1OCc1noc(C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000036367295 569087496 /nfs/dbraw/zinc/08/74/96/569087496.db2.gz LKFFQHZUGOZBEG-UHFFFAOYSA-N 0 0 442.475 4.126 50 0 IIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3ccccc3)c2oc1C(=O)N1CCCCC1 ZINC000065010712 569088323 /nfs/dbraw/zinc/08/83/23/569088323.db2.gz PDLQIIJHRVIUKS-UHFFFAOYSA-N 0 0 440.565 4.463 50 0 IIAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)c(OC)c1 ZINC000065023399 569089334 /nfs/dbraw/zinc/08/93/34/569089334.db2.gz SAWTVYXBZOVBNQ-NRFANRHFSA-N 0 0 446.551 4.002 50 0 IIAARN Cc1nc2onc(-c3cccc(F)c3)c2c(OCC(=O)NCc2ccc(F)cc2Cl)n1 ZINC000065024856 569089680 /nfs/dbraw/zinc/08/96/80/569089680.db2.gz NHOXPOUDPSOZMC-UHFFFAOYSA-N 0 0 444.825 4.220 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCCC(C)C)no2)cc1 ZINC000065027304 569090263 /nfs/dbraw/zinc/09/02/63/569090263.db2.gz QBXNFMHPIZMPHN-UHFFFAOYSA-N 0 0 437.496 4.290 50 0 IIAARN COc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)c4ccc(C)cc4)ccc3n2)cc1 ZINC000065034056 569091796 /nfs/dbraw/zinc/09/17/96/569091796.db2.gz NPWBLWDVNLDJPN-UHFFFAOYSA-N 0 0 441.487 4.335 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1C ZINC000065034540 569092113 /nfs/dbraw/zinc/09/21/13/569092113.db2.gz MTHORNFSPSIGEP-UHFFFAOYSA-N 0 0 445.972 4.001 50 0 IIAARN C[C@@H](NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000013112951 569092580 /nfs/dbraw/zinc/09/25/80/569092580.db2.gz AVIPCWDPAZPRGE-PSSQXEACSA-N 0 0 430.545 4.281 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000036385997 569092909 /nfs/dbraw/zinc/09/29/09/569092909.db2.gz HBNJDUQPPBLMJR-UHFFFAOYSA-N 0 0 425.598 4.030 50 0 IIAARN COc1ccccc1CCC(=O)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169753427 569093638 /nfs/dbraw/zinc/09/36/38/569093638.db2.gz REIOIBHQGOVVBI-HXUWFJFHSA-N 0 0 438.959 4.457 50 0 IIAARN O=C(NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(Cl)c1 ZINC000169754432 569093791 /nfs/dbraw/zinc/09/37/91/569093791.db2.gz CNSCNSUBNYTWEK-UHFFFAOYSA-N 0 0 436.855 4.017 50 0 IIAARN Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1 ZINC000169758274 569094480 /nfs/dbraw/zinc/09/44/80/569094480.db2.gz BLSJSRJJFUJBGY-MRXNPFEDSA-N 0 0 431.349 4.425 50 0 IIAARN O=C(NC1CCCCCCC1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760219 569094516 /nfs/dbraw/zinc/09/45/16/569094516.db2.gz SVLHNCFLBSQAIQ-UHFFFAOYSA-N 0 0 432.568 4.266 50 0 IIAARN O=C(NCCC1=CCCCC1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760220 569094593 /nfs/dbraw/zinc/09/45/93/569094593.db2.gz WSBBISZOXUWVFJ-UHFFFAOYSA-N 0 0 430.552 4.043 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065059152 569095993 /nfs/dbraw/zinc/09/59/93/569095993.db2.gz DDNFPERCIXBBFL-NRFANRHFSA-N 0 0 430.346 4.400 50 0 IIAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)N1CCN(c2ccccc2F)CC1 ZINC000065061276 569096403 /nfs/dbraw/zinc/09/64/03/569096403.db2.gz WHMZKKFTFZABDN-UHFFFAOYSA-N 0 0 428.511 4.422 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000036390586 569096820 /nfs/dbraw/zinc/09/68/20/569096820.db2.gz RHNZPOPYEVBJRE-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN C[C@@H](C(=O)NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062248 569097085 /nfs/dbraw/zinc/09/70/85/569097085.db2.gz FNXSZEOIQZXDFU-OAHLLOKOSA-N 0 0 445.050 4.445 50 0 IIAARN CCN1c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766647 569097224 /nfs/dbraw/zinc/09/72/24/569097224.db2.gz KXTQPXZCCASMFT-IBGZPJMESA-N 0 0 428.330 4.494 50 0 IIAARN CCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063603 569097561 /nfs/dbraw/zinc/09/75/61/569097561.db2.gz YIQICUAKBGPCAV-UHFFFAOYSA-N 0 0 445.928 4.468 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063343 569097877 /nfs/dbraw/zinc/09/78/77/569097877.db2.gz KONAPAWJLNLQHI-HNNXBMFYSA-N 0 0 443.500 4.342 50 0 IIAARN COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)cc1Cl ZINC000036392971 569098471 /nfs/dbraw/zinc/09/84/71/569098471.db2.gz FCGFYPKDJLYGOE-QHCPKHFHSA-N 0 0 441.915 4.066 50 0 IIAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21)N1CCCCC1 ZINC000065076020 569099155 /nfs/dbraw/zinc/09/91/55/569099155.db2.gz KPIKAYNMHXLAEI-UHFFFAOYSA-N 0 0 436.903 4.204 50 0 IIAARN COc1cc(OC)cc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075023 569099456 /nfs/dbraw/zinc/09/94/56/569099456.db2.gz FPYGFNZPQSJVGW-HHHXNRCGSA-N 0 0 444.531 4.290 50 0 IIAARN COC(=O)c1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075050 569099459 /nfs/dbraw/zinc/09/94/59/569099459.db2.gz XAHMJLDSLKTHGJ-MHZLTWQESA-N 0 0 442.515 4.060 50 0 IIAARN O=C(CSc1nncn1Cc1ccco1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000036397648 569101074 /nfs/dbraw/zinc/10/10/74/569101074.db2.gz LFBARRXRZSZUEH-UHFFFAOYSA-N 0 0 448.552 4.494 50 0 IIAARN Cc1cc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2ccncc2)ccc1F ZINC000065083413 569102239 /nfs/dbraw/zinc/10/22/39/569102239.db2.gz LMKCQWJTVSCNMB-UHFFFAOYSA-N 0 0 439.853 4.499 50 0 IIAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1)N1CCN(c2ccccc2)CC1 ZINC000065085454 569102841 /nfs/dbraw/zinc/10/28/41/569102841.db2.gz VWCOBCMCNYVQAV-UHFFFAOYSA-N 0 0 446.981 4.197 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085521 569103185 /nfs/dbraw/zinc/10/31/85/569103185.db2.gz VJFQVPZXEDETKG-UHFFFAOYSA-N 0 0 435.910 4.258 50 0 IIAARN COc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)CC1 ZINC000065097900 569104112 /nfs/dbraw/zinc/10/41/12/569104112.db2.gz XMIRDFSUJIJIGR-UHFFFAOYSA-N 0 0 431.471 4.273 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2nc(-c3ccc(F)cc3)no2)n1C ZINC000065099827 569104850 /nfs/dbraw/zinc/10/48/50/569104850.db2.gz ZPKAOHXEBMIEFP-UHFFFAOYSA-N 0 0 438.488 4.019 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)cc1 ZINC000065099513 569105189 /nfs/dbraw/zinc/10/51/89/569105189.db2.gz ZYFXMBGGPGUEDY-UHFFFAOYSA-N 0 0 432.553 4.176 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099712 569105316 /nfs/dbraw/zinc/10/53/16/569105316.db2.gz VEYCATVJJWUBNP-UHFFFAOYSA-N 0 0 438.488 4.193 50 0 IIAARN O=C(Cn1c(=O)nc(NCc2ccc(F)cc2)c2ccccc21)Nc1ccccc1Cl ZINC000065101825 569105911 /nfs/dbraw/zinc/10/59/11/569105911.db2.gz ZUOPHVQDSSIQMQ-UHFFFAOYSA-N 0 0 436.874 4.440 50 0 IIAARN CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(NC(C)=O)cc3)no2)CC1 ZINC000065111538 569107651 /nfs/dbraw/zinc/10/76/51/569107651.db2.gz CXSJGCZDGOQZQG-UHFFFAOYSA-N 0 0 434.496 4.114 50 0 IIAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)no2)c1 ZINC000065112188 569108096 /nfs/dbraw/zinc/10/80/96/569108096.db2.gz AXNJSFOPTQGARL-UHFFFAOYSA-N 0 0 441.553 4.239 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1OC ZINC000065113612 569108567 /nfs/dbraw/zinc/10/85/67/569108567.db2.gz RUDWXERVQJHNPJ-UHFFFAOYSA-N 0 0 446.507 4.102 50 0 IIAARN O=c1ccn(-c2cccc(Br)c2)nc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065129668 569108724 /nfs/dbraw/zinc/10/87/24/569108724.db2.gz UGXQNOQXDSXFJK-UHFFFAOYSA-N 0 0 429.661 4.365 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(c3ncccc3-c3nnc(C4CC4)o3)CC2)c(Cl)c1 ZINC000065118223 569108917 /nfs/dbraw/zinc/10/89/17/569108917.db2.gz OHUIQLATSXPBNO-UHFFFAOYSA-N 0 0 438.919 4.325 50 0 IIAARN COc1cc(OC)c(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1Cl ZINC000065133921 569110074 /nfs/dbraw/zinc/11/00/74/569110074.db2.gz QCPJDGPIGDFVHW-UHFFFAOYSA-N 0 0 431.851 4.279 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)ccc32)CC1 ZINC000065136024 569110258 /nfs/dbraw/zinc/11/02/58/569110258.db2.gz HDQQOYFQYLMYAT-UHFFFAOYSA-N 0 0 446.551 4.109 50 0 IIAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)NCc3cccc(OC)c3)CC2)c1C ZINC000006942049 569111887 /nfs/dbraw/zinc/11/18/87/569111887.db2.gz PAZFGPZZUANSMP-UHFFFAOYSA-N 0 0 426.557 4.413 50 0 IIAARN O=C(Cc1ccccc1F)N1CCC(COc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000065179764 569113562 /nfs/dbraw/zinc/11/35/62/569113562.db2.gz VVNWIHLGGOBMQL-UHFFFAOYSA-N 0 0 438.543 4.312 50 0 IIAARN O=C(c1ccc(OCC2CCN(C(=O)c3c(F)cccc3F)CC2)cc1)N1CCCC1 ZINC000065179884 569113590 /nfs/dbraw/zinc/11/35/90/569113590.db2.gz VVODNXWKOYEDGT-UHFFFAOYSA-N 0 0 428.479 4.132 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(F)c(F)c3)cccn12 ZINC000065185259 569114122 /nfs/dbraw/zinc/11/41/22/569114122.db2.gz KXUDOFNPFCQWSJ-UHFFFAOYSA-N 0 0 442.491 4.274 50 0 IIAARN C=Cc1ccc(CN(c2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000065185223 569114188 /nfs/dbraw/zinc/11/41/88/569114188.db2.gz AMCFORYFXKDLHZ-UHFFFAOYSA-N 0 0 426.448 4.046 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3cc(F)cc(F)c3)cccn12 ZINC000065185316 569114223 /nfs/dbraw/zinc/11/42/23/569114223.db2.gz KYKZVKVMMRUMNZ-UHFFFAOYSA-N 0 0 448.882 4.365 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](COc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000065178666 569114468 /nfs/dbraw/zinc/11/44/68/569114468.db2.gz TXCTWGWELVKEDD-FQEVSTJZSA-N 0 0 440.971 4.436 50 0 IIAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)cc1)N1CCCC1 ZINC000065178775 569114550 /nfs/dbraw/zinc/11/45/50/569114550.db2.gz KPFOZKSWJTUNIE-QGZVFWFLSA-N 0 0 428.479 4.132 50 0 IIAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1cccc(Cl)c1F ZINC000065185989 569114639 /nfs/dbraw/zinc/11/46/39/569114639.db2.gz IVJUDTGYMWOJOA-UHFFFAOYSA-N 0 0 427.867 4.417 50 0 IIAARN CCOc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199017 569115080 /nfs/dbraw/zinc/11/50/80/569115080.db2.gz TTWMJEGWGBQGQX-UHFFFAOYSA-N 0 0 436.537 4.140 50 0 IIAARN O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200485 569115164 /nfs/dbraw/zinc/11/51/64/569115164.db2.gz HNKFWHZZGAMWLJ-UHFFFAOYSA-N 0 0 444.548 4.172 50 0 IIAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196565 569115672 /nfs/dbraw/zinc/11/56/72/569115672.db2.gz QXZXBHDJCHPBKN-UHFFFAOYSA-N 0 0 442.306 4.120 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N[C@@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209538 569116414 /nfs/dbraw/zinc/11/64/14/569116414.db2.gz ZMWZCEYGMCSHMD-LJQANCHMSA-N 0 0 426.904 4.241 50 0 IIAARN O=C(NCc1ccccc1C(F)(F)F)c1nc(-c2nc(-c3cccnc3)no2)cs1 ZINC000065230611 569118285 /nfs/dbraw/zinc/11/82/85/569118285.db2.gz CYBQLQKRVJRTFC-UHFFFAOYSA-N 0 0 431.399 4.204 50 0 IIAARN Cc1cc(NC(=O)CC[C@@H]2NC(=O)N([C@H](C)c3ccccc3)C2=O)ccc1Br ZINC000036596725 569118771 /nfs/dbraw/zinc/11/87/71/569118771.db2.gz SYEFCMNXNBWTMX-KDOFPFPSSA-N 0 0 444.329 4.362 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2C1=O ZINC000065241627 569118893 /nfs/dbraw/zinc/11/88/93/569118893.db2.gz GVYAZLFYYODKSR-UHFFFAOYSA-N 0 0 437.521 4.031 50 0 IIAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3ccc(C)c(F)c3)nc2C)cc1 ZINC000065233044 569119105 /nfs/dbraw/zinc/11/91/05/569119105.db2.gz QEISDUUIELKLPU-UHFFFAOYSA-N 0 0 427.501 4.019 50 0 IIAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(OC)cc1C)CC2 ZINC000065235518 569119208 /nfs/dbraw/zinc/11/92/08/569119208.db2.gz KXLJFFUHDJPKGA-UHFFFAOYSA-N 0 0 442.947 4.251 50 0 biogenic IIAARN CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000036579863 569119756 /nfs/dbraw/zinc/11/97/56/569119756.db2.gz GZLCBJVZGDHROE-AHWVRZQESA-N 0 0 444.575 4.199 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-c3nc(C)cs3)cn2)CC1 ZINC000065240728 569120829 /nfs/dbraw/zinc/12/08/29/569120829.db2.gz TUEFVDSKTGFKES-UHFFFAOYSA-N 0 0 428.945 4.138 50 0 IIAARN C[C@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)NCc2ccc(Cl)c(Cl)c2)C1=O ZINC000036601413 569121861 /nfs/dbraw/zinc/12/18/61/569121861.db2.gz KEETXNQOGXQLRT-FZKQIMNGSA-N 0 0 434.323 4.276 50 0 IIAARN O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1[nH]nc2nc(C(F)(F)F)cc(C3CC3)c21 ZINC000036613896 569123967 /nfs/dbraw/zinc/12/39/67/569123967.db2.gz KUSZUVHPRYLDMJ-UHFFFAOYSA-N 0 0 440.376 4.116 50 0 IIAARN CCOc1ccc(NC(=O)N2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065258106 569124342 /nfs/dbraw/zinc/12/43/42/569124342.db2.gz QUSCXCMVZRIFNZ-UHFFFAOYSA-N 0 0 448.527 4.152 50 0 IIAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1C ZINC000013135148 569125458 /nfs/dbraw/zinc/12/54/58/569125458.db2.gz RHTMWOCLRACIRX-UHFFFAOYSA-N 0 0 430.460 4.418 50 0 IIAARN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)ccc1O ZINC000524731335 569126425 /nfs/dbraw/zinc/12/64/25/569126425.db2.gz TZDROVPLMGPWDO-HNNXBMFYSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COc1ccc(NC(=O)Nc2nc3c(s2)CN(Cc2ccc(F)cc2)C3=O)c(OC)c1 ZINC000065273983 569128244 /nfs/dbraw/zinc/12/82/44/569128244.db2.gz DYOXJUBOQRMPGB-UHFFFAOYSA-N 0 0 442.472 4.099 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4)C3=O)nc2)c(Cl)c1 ZINC000065272338 569129017 /nfs/dbraw/zinc/12/90/17/569129017.db2.gz MGATVZXFUOPZGL-UHFFFAOYSA-N 0 0 436.899 4.371 50 0 IIAARN O=C(Cc1ccccc1Cl)Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000065272421 569129019 /nfs/dbraw/zinc/12/90/19/569129019.db2.gz HMQNYSMUGGUXKS-UHFFFAOYSA-N 0 0 438.890 4.498 50 0 IIAARN CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)Nc2ccc4c(c2)OCCO4)C3)CC1 ZINC000065272618 569129053 /nfs/dbraw/zinc/12/90/53/569129053.db2.gz FPLPRVDHQVZIPX-INIZCTEOSA-N 0 0 440.565 4.135 50 0 IIAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1ccc(F)c(F)c1 ZINC000065272534 569129112 /nfs/dbraw/zinc/12/91/12/569129112.db2.gz WYACZEMQYKFAKB-UHFFFAOYSA-N 0 0 426.398 4.193 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)c(OC)c1 ZINC000065272995 569129269 /nfs/dbraw/zinc/12/92/69/569129269.db2.gz NENFRZVIOVGUON-HNNXBMFYSA-N 0 0 428.554 4.135 50 0 IIAARN Clc1ccc(-n2ncc3c2nc(NCCc2cccs2)nc3N2CCOCC2)cc1 ZINC000036656939 569130287 /nfs/dbraw/zinc/13/02/87/569130287.db2.gz BMCHWYVVDQLGQO-UHFFFAOYSA-N 0 0 440.960 4.022 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)N[C@@H](C)c4ccc(C)cc4)nc32)cc1 ZINC000065293953 569131045 /nfs/dbraw/zinc/13/10/45/569131045.db2.gz FFQRNDVFLUGVMZ-INIZCTEOSA-N 0 0 449.580 4.421 50 0 IIAARN COc1ccc(CNC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)cc1OC ZINC000065297792 569131867 /nfs/dbraw/zinc/13/18/67/569131867.db2.gz DYWYLBKFTSEIDC-UHFFFAOYSA-N 0 0 441.553 4.219 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4ccccc4)CC3)sc12 ZINC000065299802 569132149 /nfs/dbraw/zinc/13/21/49/569132149.db2.gz UMTNEPIPKFCOQK-UHFFFAOYSA-N 0 0 431.565 4.498 50 0 IIAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NCc1ccccn1 ZINC000065305616 569133228 /nfs/dbraw/zinc/13/32/28/569133228.db2.gz ABSSVJHDCYRCFF-UHFFFAOYSA-N 0 0 435.325 4.408 50 0 IIAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000065315436 569133981 /nfs/dbraw/zinc/13/39/81/569133981.db2.gz GNZOLCRNSCJWNF-UHFFFAOYSA-N 0 0 437.544 4.327 50 0 IIAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)C1 ZINC000065315473 569134021 /nfs/dbraw/zinc/13/40/21/569134021.db2.gz RPIJYBRGWCTLDL-INIZCTEOSA-N 0 0 441.507 4.238 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2)cc1 ZINC000065315523 569134096 /nfs/dbraw/zinc/13/40/96/569134096.db2.gz FLBSZNCGLVAXQU-LJQANCHMSA-N 0 0 449.555 4.409 50 0 IIAARN COc1cc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc(OC)c1 ZINC000065320518 569136129 /nfs/dbraw/zinc/13/61/29/569136129.db2.gz ZWHXDLBALNUZTA-LJQANCHMSA-N 0 0 427.888 4.313 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000065320893 569136386 /nfs/dbraw/zinc/13/63/86/569136386.db2.gz OZKBJPUDURYTLI-SFHVURJKSA-N 0 0 433.917 4.315 50 0 IIAARN O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000238814411 569136472 /nfs/dbraw/zinc/13/64/72/569136472.db2.gz BCIYCQMVKYDMSR-UIAACRFSSA-N 0 0 442.364 4.275 50 0 IIAARN O=C(c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1)N1CCOCC1 ZINC000065322667 569136781 /nfs/dbraw/zinc/13/67/81/569136781.db2.gz DQACMFVKYHDXPS-UHFFFAOYSA-N 0 0 433.899 4.266 50 0 IIAARN COC(=O)c1cccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)c1 ZINC000065322780 569136797 /nfs/dbraw/zinc/13/67/97/569136797.db2.gz KOTAZZBXXLDADW-UHFFFAOYSA-N 0 0 439.269 4.395 50 0 IIAARN COCCCN(C(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)[C@@H](C)c1cccs1 ZINC000065329765 569136967 /nfs/dbraw/zinc/13/69/67/569136967.db2.gz ZHTQEMHFVGONFY-HNNXBMFYSA-N 0 0 431.558 4.255 50 0 IIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000036779257 569137879 /nfs/dbraw/zinc/13/78/79/569137879.db2.gz IDFNXQASFCMZHB-UHFFFAOYSA-N 0 0 428.492 4.498 50 0 IIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000036883506 569138663 /nfs/dbraw/zinc/13/86/63/569138663.db2.gz QPKHOMIBUWMYKR-UHFFFAOYSA-N 0 0 438.549 4.393 50 0 IIAARN Cc1csc([C@](O)(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)C(F)(F)F)n1 ZINC000065530176 569139130 /nfs/dbraw/zinc/13/91/30/569139130.db2.gz IFXXMAYPNBRAIP-UYAOXDASSA-N 0 0 435.471 4.025 50 0 IIAARN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000065550572 569139586 /nfs/dbraw/zinc/13/95/86/569139586.db2.gz LMCJKXDGMCBSHE-YJBOKZPZSA-N 0 0 446.347 4.225 50 0 IIAARN C[C@H](NC(=O)[C@H](C)N1C(=S)N=NC1c1cccs1)c1ccccc1Br ZINC000065575492 569139793 /nfs/dbraw/zinc/13/97/93/569139793.db2.gz QREBHUMHYKFXHI-QWRGUYRKSA-N 0 0 437.388 4.496 50 0 IIAARN CC(C)c1cc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c2cnn(C(C)C)c2n1 ZINC000170602566 569143431 /nfs/dbraw/zinc/14/34/31/569143431.db2.gz OIISSOBPMDPQCF-XOBRGWDASA-N 0 0 426.483 4.349 50 0 IIAARN COc1ccc([C@@H](NC(=O)c2ccc(CSc3nccn3C)o2)C(F)F)cc1F ZINC000170605722 569143736 /nfs/dbraw/zinc/14/37/36/569143736.db2.gz DKNUVJAAQUYWGS-MRXNPFEDSA-N 0 0 425.432 4.189 50 0 IIAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1ccccc1Cl ZINC000037276995 569145384 /nfs/dbraw/zinc/14/53/84/569145384.db2.gz MAMPAJUACASMFD-UHFFFAOYSA-N 0 0 425.960 4.365 50 0 IIAARN Cc1ccccc1-n1c2ncn(Cc3c(F)cccc3F)c2c(=O)n(CCC(C)C)c1=O ZINC000037279713 569145661 /nfs/dbraw/zinc/14/56/61/569145661.db2.gz WUZUJVPAOTXLHF-UHFFFAOYSA-N 0 0 438.478 4.030 50 0 IIAARN Cc1ccccc1-n1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(CCC(C)C)c1=O ZINC000037279708 569145686 /nfs/dbraw/zinc/14/56/86/569145686.db2.gz VTOGPIROTDPBGQ-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN CCC(CC)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1cccc(C)c1 ZINC000170619411 569147632 /nfs/dbraw/zinc/14/76/32/569147632.db2.gz SJSRGOSXONKWPG-JOCHJYFZSA-N 0 0 427.570 4.480 50 0 IIAARN Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1C ZINC000170622776 569148038 /nfs/dbraw/zinc/14/80/38/569148038.db2.gz PERGALOWTOESGO-IBGZPJMESA-N 0 0 439.314 4.079 50 0 IIAARN COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000170623791 569148352 /nfs/dbraw/zinc/14/83/52/569148352.db2.gz UYYCOCBAHIQSBF-UHFFFAOYSA-N 0 0 436.327 4.442 50 0 IIAARN CSc1nnc(-c2nc(-c3ccc(C)cc3)oc2N2CCOCC2)n1-c1ccccc1 ZINC000071195130 569149560 /nfs/dbraw/zinc/14/95/60/569149560.db2.gz PASCVFRPKZCSES-UHFFFAOYSA-N 0 0 433.537 4.456 50 0 IIAARN CCOc1cc2c(cc1CS[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1)O[C@H](C)C2 ZINC000009882816 569149758 /nfs/dbraw/zinc/14/97/58/569149758.db2.gz TTYCSDIVFFQWDU-CVEARBPZSA-N 0 0 445.581 4.364 50 0 IIAARN Cc1nn([C@H](C)c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1Br ZINC000071287895 569150921 /nfs/dbraw/zinc/15/09/21/569150921.db2.gz AIUGJRRKBCDGHD-SNVBAGLBSA-N 0 0 437.754 4.307 50 0 IIAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000010027459 569151825 /nfs/dbraw/zinc/15/18/25/569151825.db2.gz XFOIUVYPWXGFKV-DEOSSOPVSA-N 0 0 441.506 4.345 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000010028992 569151922 /nfs/dbraw/zinc/15/19/22/569151922.db2.gz OUXUURCIXIKYJB-UHFFFAOYSA-N 0 0 442.971 4.336 50 0 IIAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000010220675 569152945 /nfs/dbraw/zinc/15/29/45/569152945.db2.gz KVZARJLSFHMDLI-UHFFFAOYSA-N 0 0 433.555 4.107 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000010219503 569153720 /nfs/dbraw/zinc/15/37/20/569153720.db2.gz IBPPJAJSWCWVGD-UHFFFAOYSA-N 0 0 435.505 4.041 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c1 ZINC000013349974 569155226 /nfs/dbraw/zinc/15/52/26/569155226.db2.gz ZRDOULMXPJKCGJ-UHFFFAOYSA-N 0 0 447.495 4.167 50 0 IIAARN O=C(COC(=O)[C@@H]1CS[C@H](c2cccc3[nH]ccc32)N1)c1ccc(Br)cc1 ZINC000013573174 569155758 /nfs/dbraw/zinc/15/57/58/569155758.db2.gz GEYWNGOHJBGSOH-PKOBYXMFSA-N 0 0 445.338 4.060 50 0 IIAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)Nc1cccc(C(F)(F)F)c1 ZINC000013705773 569156665 /nfs/dbraw/zinc/15/66/65/569156665.db2.gz KPAGOADGNGXAIV-UHFFFAOYSA-N 0 0 442.401 4.011 50 0 IIAARN COc1ccc2nc(-c3cccc(NC(=O)Nc4cc(OC)c(OC)c(OC)c4)c3)cn2n1 ZINC000013709963 569156810 /nfs/dbraw/zinc/15/68/10/569156810.db2.gz BBYFIJGFDISYAV-UHFFFAOYSA-N 0 0 449.467 4.075 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000013801459 569157125 /nfs/dbraw/zinc/15/71/25/569157125.db2.gz JQZSFIVMWJLAJR-UHFFFAOYSA-N 0 0 426.904 4.093 50 0 IIAARN Cc1nc(SCC(=O)N[C@H](c2nccn2C)c2ccccc2)[nH]c1Cc1ccccc1 ZINC000014044957 569157512 /nfs/dbraw/zinc/15/75/12/569157512.db2.gz UEIWVUOXUNQAHG-QFIPXVFZSA-N 0 0 431.565 4.040 50 0 IIAARN C[C@@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)N(C)c1ccccc1 ZINC000014340278 569158661 /nfs/dbraw/zinc/15/86/61/569158661.db2.gz CNAXDOLXQDZUPA-MRXNPFEDSA-N 0 0 430.551 4.004 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000014587089 569159334 /nfs/dbraw/zinc/15/93/34/569159334.db2.gz FAMASDHSIZUOJP-UHFFFAOYSA-N 0 0 425.462 4.364 50 0 IIAARN COc1cccc(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)[C@@H](C)C3)ncn2)c1 ZINC000037342152 569159701 /nfs/dbraw/zinc/15/97/01/569159701.db2.gz AWGIWVKCCRAUAH-INIZCTEOSA-N 0 0 438.915 4.282 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)CSc4ccccc43)n2)cc1 ZINC000014634668 569159807 /nfs/dbraw/zinc/15/98/07/569159807.db2.gz IUBXQTSJOLCBAD-UHFFFAOYSA-N 0 0 425.535 4.286 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000089643186 569160358 /nfs/dbraw/zinc/16/03/58/569160358.db2.gz SUKOXBOCQVKKNG-UHFFFAOYSA-N 0 0 425.506 4.356 50 0 IIAARN O=C(COc1cccc(Br)c1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000089774434 569162615 /nfs/dbraw/zinc/16/26/15/569162615.db2.gz QJTHYBQARSVWBY-DOTOQJQBSA-N 0 0 444.247 4.181 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2c(C)cccc2C)c2ccc(F)cc2)cc1 ZINC000016839653 569163039 /nfs/dbraw/zinc/16/30/39/569163039.db2.gz ZFPLEMQDSYSZBI-JOCHJYFZSA-N 0 0 443.540 4.386 50 0 IIAARN Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(Br)cc1 ZINC000016843792 569163741 /nfs/dbraw/zinc/16/37/41/569163741.db2.gz WHZRYEMHUVVAOD-UHFFFAOYSA-N 0 0 446.301 4.460 50 0 IIAARN CCOC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 ZINC000016848871 569164346 /nfs/dbraw/zinc/16/43/46/569164346.db2.gz CYVWDSVTYMFZLU-UHFFFAOYSA-N 0 0 445.972 4.451 50 0 IIAARN C[C@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1nc2ccccc2[nH]1 ZINC000089904481 569167093 /nfs/dbraw/zinc/16/70/93/569167093.db2.gz TVAMCAGTAYJOPB-QFYYESIMSA-N 0 0 434.443 4.262 50 0 IIAARN C[C@@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1nc2ccccc2[nH]1 ZINC000089904480 569167112 /nfs/dbraw/zinc/16/71/12/569167112.db2.gz TVAMCAGTAYJOPB-QLJPJBMISA-N 0 0 434.443 4.262 50 0 IIAARN COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000016953780 569167318 /nfs/dbraw/zinc/16/73/18/569167318.db2.gz ZELHKFWDRJMODE-UHFFFAOYSA-N 0 0 432.343 4.433 50 0 IIAARN CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC000089954772 569168838 /nfs/dbraw/zinc/16/88/38/569168838.db2.gz BBTDLUNXHDHKAH-UHFFFAOYSA-N 0 0 443.594 4.430 50 0 IIAARN COc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000014712780 569169271 /nfs/dbraw/zinc/16/92/71/569169271.db2.gz NUFXZELVLSQWIV-JQZCCEMDSA-N 0 0 426.557 4.158 50 0 IIAARN COc1ccc(CCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1Br ZINC000207986070 569170238 /nfs/dbraw/zinc/17/02/38/569170238.db2.gz VYSDSIGLDNJGNA-JOCHJYFZSA-N 0 0 444.325 4.079 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000017011380 569170329 /nfs/dbraw/zinc/17/03/29/569170329.db2.gz LBBTWXIDRXEKKU-UHFFFAOYSA-N 0 0 436.942 4.193 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1 ZINC000017144085 569174633 /nfs/dbraw/zinc/17/46/33/569174633.db2.gz INNRZEKLFRUVAZ-UHFFFAOYSA-N 0 0 426.523 4.130 50 0 IIAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F ZINC000017149704 569174880 /nfs/dbraw/zinc/17/48/80/569174880.db2.gz QWCSVFJMPNECOC-KRWDZBQOSA-N 0 0 425.453 4.110 50 0 IIAARN O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)cc1 ZINC000017156825 569175102 /nfs/dbraw/zinc/17/51/02/569175102.db2.gz HFGFRUSFXFAFFG-UHFFFAOYSA-N 0 0 441.347 4.233 50 0 IIAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 ZINC000000936935 569176331 /nfs/dbraw/zinc/17/63/31/569176331.db2.gz AZFOPDAQIAUVBW-HSZRJFAPSA-N 0 0 438.491 4.180 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002705125 569177391 /nfs/dbraw/zinc/17/73/91/569177391.db2.gz GQZQVCHWKSOEGI-UHFFFAOYSA-N 0 0 435.596 4.104 50 0 IIAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002091963 569178802 /nfs/dbraw/zinc/17/88/02/569178802.db2.gz YBQKXSVBDQBMFU-RPWUZVMVSA-N 0 0 427.548 4.380 50 0 biogenic IIAARN NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000170640269 569180246 /nfs/dbraw/zinc/18/02/46/569180246.db2.gz BEUCNVUTDSWONN-UHFFFAOYSA-N 0 0 436.393 4.308 50 0 IIAARN CCCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000002108566 569181676 /nfs/dbraw/zinc/18/16/76/569181676.db2.gz AEGPEEMAIWHGII-FQRUVTKNSA-N 0 0 441.568 4.367 50 0 biogenic IIAARN Cc1cc(OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000002131726 569184896 /nfs/dbraw/zinc/18/48/96/569184896.db2.gz WCUDUKXMPCAVET-UHFFFAOYSA-N 0 0 435.476 4.364 50 0 biogenic IIAARN CCOC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000002983392 569186049 /nfs/dbraw/zinc/18/60/49/569186049.db2.gz NXXQKZWDSKDXTQ-SECBINFHSA-N 0 0 449.585 4.178 50 0 IIAARN CCCCCN=c1c(Br)cccn1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000252504741 569188218 /nfs/dbraw/zinc/18/82/18/569188218.db2.gz FFLYJSRNOJXZOF-UHFFFAOYSA-N 0 0 444.373 4.152 50 0 IIAARN O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000252550392 569190840 /nfs/dbraw/zinc/19/08/40/569190840.db2.gz SNEIGPYQXAIYFG-AWEZNQCLSA-N 0 0 438.380 4.235 50 0 IIAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1nnc2ccccn21 ZINC000252550791 569191084 /nfs/dbraw/zinc/19/10/84/569191084.db2.gz SXTKOOFHZLIGEW-UHFFFAOYSA-N 0 0 436.928 4.311 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000002202664 569192689 /nfs/dbraw/zinc/19/26/89/569192689.db2.gz FYEQJOPASNBIDX-DOMZBBRYSA-N 0 0 443.953 4.309 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002207990 569193818 /nfs/dbraw/zinc/19/38/18/569193818.db2.gz PESYSTMPMUACMO-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)C1CCC1 ZINC000037400957 569195054 /nfs/dbraw/zinc/19/50/54/569195054.db2.gz ZWPIUTJBSIFZDY-QGZVFWFLSA-N 0 0 431.554 4.390 50 0 IIAARN COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000252607866 569195254 /nfs/dbraw/zinc/19/52/54/569195254.db2.gz HFUFVDVWVSNGBM-RMZDVBDWSA-N 0 0 441.336 4.330 50 0 IIAARN CCOc1cc(CNc2ccccc2OC(F)(F)F)ccc1O[C@@H](C)C(=O)N(C)C ZINC000170679462 569195397 /nfs/dbraw/zinc/19/53/97/569195397.db2.gz ASIBNTRGZDZANN-AWEZNQCLSA-N 0 0 426.435 4.452 50 0 IIAARN CO[C@@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000170682966 569195489 /nfs/dbraw/zinc/19/54/89/569195489.db2.gz BUYUAIDNIVJKQS-APWZRJJASA-N 0 0 431.323 4.310 50 0 IIAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1 ZINC000037426259 569195767 /nfs/dbraw/zinc/19/57/67/569195767.db2.gz RUQJQURGDSLQNG-INIZCTEOSA-N 0 0 426.542 4.427 50 0 IIAARN CC(C)CC(=O)N1CCN(CCN2C(=O)[C@H](C)S[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000037438126 569196431 /nfs/dbraw/zinc/19/64/31/569196431.db2.gz VRZNRFNTVXMUTN-CYFREDJKSA-N 0 0 445.673 4.137 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000037524189 569198461 /nfs/dbraw/zinc/19/84/61/569198461.db2.gz UOVUFRMXGQFAMR-QGZVFWFLSA-N 0 0 443.975 4.032 50 0 IIAARN CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524468 569198625 /nfs/dbraw/zinc/19/86/25/569198625.db2.gz IDYDMHTZDPGVJN-INIZCTEOSA-N 0 0 429.511 4.138 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000037525346 569198994 /nfs/dbraw/zinc/19/89/94/569198994.db2.gz ONINYCXHPFXBEX-IBGZPJMESA-N 0 0 435.568 4.109 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2sc(Br)cc2n1CCOc1ccccc1 ZINC000037542402 569199492 /nfs/dbraw/zinc/19/94/92/569199492.db2.gz ZMHDLIZCPPITCN-HNNXBMFYSA-N 0 0 449.370 4.453 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CCOCC1 ZINC000037547241 569200142 /nfs/dbraw/zinc/20/01/42/569200142.db2.gz WQYGYNOMERCBRS-UHFFFAOYSA-N 0 0 441.478 4.351 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037554915 569200481 /nfs/dbraw/zinc/20/04/81/569200481.db2.gz WMWRRGYRZNMYHL-UHFFFAOYSA-N 0 0 438.474 4.117 50 0 IIAARN Cc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1C1CCCCC1 ZINC000007775407 569202158 /nfs/dbraw/zinc/20/21/58/569202158.db2.gz HFIVHYBACKWCIA-AWEZNQCLSA-N 0 0 427.574 4.336 50 0 IIAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2 ZINC000037602069 569202391 /nfs/dbraw/zinc/20/23/91/569202391.db2.gz XEODFWVGAOVJNW-MZNJEOGPSA-N 0 0 426.532 4.249 50 0 IIAARN 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/nfs/dbraw/zinc/32/38/01/569323801.db2.gz DOWITSSNOUINAN-OAQYLSRUSA-N 0 0 444.539 4.273 50 0 IIAARN NC(=O)[C@@H]1CCC[C@@H]1Nc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063983 569324284 /nfs/dbraw/zinc/32/42/84/569324284.db2.gz IATODIXGVCSAKX-MJGOQNOKSA-N 0 0 435.597 4.410 50 0 IIAARN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000079069098 569324399 /nfs/dbraw/zinc/32/43/99/569324399.db2.gz DPTGUULTTCLXHA-IFXJQAMLSA-N 0 0 436.371 4.126 50 0 IIAARN Cc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)c1 ZINC000079112316 569326284 /nfs/dbraw/zinc/32/62/84/569326284.db2.gz OBWSJVWNIIOGLV-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN Cc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2cccs2)c1 ZINC000079112317 569326297 /nfs/dbraw/zinc/32/62/97/569326297.db2.gz OBWSJVWNIIOGLV-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1OCc1ccccn1 ZINC000079190867 569327949 /nfs/dbraw/zinc/32/79/49/569327949.db2.gz GEMZPIBLYMNZRX-QPPBQGQZSA-N 0 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O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137175 569335867 /nfs/dbraw/zinc/33/58/67/569335867.db2.gz XQHMLUMTHYLWBI-KRWDZBQOSA-N 0 0 440.468 4.425 50 0 IIAARN Cc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)Oc3ccccc32)cc1 ZINC000020180816 569355120 /nfs/dbraw/zinc/35/51/20/569355120.db2.gz JJHXUNXXYMSHFF-LFVJCYFKSA-N 0 0 430.479 4.260 50 0 IIAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCc1ccc(C)cc1 ZINC000020241562 569358020 /nfs/dbraw/zinc/35/80/20/569358020.db2.gz XVQZFISTZVNSFE-LJAQVGFWSA-N 0 0 430.957 4.219 50 0 IIAARN CC[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000020241846 569358030 /nfs/dbraw/zinc/35/80/30/569358030.db2.gz JDORCZPMKQPBTP-OAQYLSRUSA-N 0 0 440.565 4.011 50 0 IIAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)cc3Cl)c(C)o2)c1 ZINC000020241959 569358157 /nfs/dbraw/zinc/35/81/57/569358157.db2.gz QLIRVTBCHOWEES-UHFFFAOYSA-N 0 0 448.928 4.174 50 0 IIAARN C[C@@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)N[C@H]1CCOc2ccccc21 ZINC000095350346 569361751 /nfs/dbraw/zinc/36/17/51/569361751.db2.gz JBMUVXNFUQWZNR-WBMJQRKESA-N 0 0 443.297 4.116 50 0 IIAARN CN(CC(=O)Nc1ccccc1OC(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356873 569362140 /nfs/dbraw/zinc/36/21/40/569362140.db2.gz IKVIVPYVYSTGPV-YJBOKZPZSA-N 0 0 431.266 4.123 50 0 IIAARN C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccc2cccnc21)c1ccccc1)c1ccccc1 ZINC000020377757 569362301 /nfs/dbraw/zinc/36/23/01/569362301.db2.gz PRLGQTZJVFPEIQ-KOSHJBKYSA-N 0 0 445.544 4.132 50 0 IIAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])CC1 ZINC000020415642 569364416 /nfs/dbraw/zinc/36/44/16/569364416.db2.gz FNWXNNNFNYKIIK-UHFFFAOYSA-N 0 0 441.572 4.179 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417263 569364904 /nfs/dbraw/zinc/36/49/04/569364904.db2.gz PHFJUDQOOFWXGO-UHFFFAOYSA-N 0 0 438.890 4.294 50 0 IIAARN O=C(c1nn(-c2cccc(Br)c2)c2c1CCCC2)N1CCC[C@@H]2COCC[C@@H]21 ZINC000095410801 569365268 /nfs/dbraw/zinc/36/52/68/569365268.db2.gz QZHFQBOEMWJFAJ-BEFAXECRSA-N 0 0 444.373 4.155 50 0 IIAARN Cc1cc(NC(=O)N2CCN(C3CC3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000095446391 569367399 /nfs/dbraw/zinc/36/73/99/569367399.db2.gz NGOUZACLDDBMIS-UHFFFAOYSA-N 0 0 427.858 4.165 50 0 IIAARN CC(C)C(=O)Nc1nc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cs1 ZINC000095453537 569368250 /nfs/dbraw/zinc/36/82/50/569368250.db2.gz HXWPLABXSYXSPN-IBGZPJMESA-N 0 0 442.972 4.429 50 0 IIAARN Cc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1S(C)(=O)=O ZINC000095453536 569368264 /nfs/dbraw/zinc/36/82/64/569368264.db2.gz WCWDHTFZBNYYBQ-HXUWFJFHSA-N 0 0 428.941 4.161 50 0 IIAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3nc(-c4cccc(O)c4)cs3)CC(=O)N2C2CC2)c1 ZINC000095463754 569370446 /nfs/dbraw/zinc/37/04/46/569370446.db2.gz IGHFXJHICOHHPV-UGKGYDQZSA-N 0 0 449.532 4.215 50 0 IIAARN CN(C(=O)CNc1cc2c(cc1Br)OCCO2)[C@H]1CCCc2ccccc21 ZINC000095466124 569370800 /nfs/dbraw/zinc/37/08/00/569370800.db2.gz IYGJCQWLVMEPND-SFHVURJKSA-N 0 0 431.330 4.168 50 0 IIAARN COc1cc([C@@H](NC(=O)c2cccc(OC(F)F)c2)C(F)(F)F)cc(OC)c1OC ZINC000095466232 569370904 /nfs/dbraw/zinc/37/09/04/569370904.db2.gz DTZOMSWXGWSVQI-MRXNPFEDSA-N 0 0 435.345 4.347 50 0 IIAARN COc1cc([C@H](NC(=O)c2cccc(OC(F)F)c2)C(F)(F)F)cc(OC)c1OC ZINC000095466231 569370958 /nfs/dbraw/zinc/37/09/58/569370958.db2.gz DTZOMSWXGWSVQI-INIZCTEOSA-N 0 0 435.345 4.347 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(c4nc(C)cc(C(F)(F)F)n4)CC3)cs2)cc1 ZINC000095469183 569371410 /nfs/dbraw/zinc/37/14/10/569371410.db2.gz OJDFSOOBDMXWLH-UHFFFAOYSA-N 0 0 449.502 4.258 50 0 IIAARN COC(=O)C[C@H](c1ccc2nccnc2c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095475474 569372713 /nfs/dbraw/zinc/37/27/13/569372713.db2.gz DRYPDNKWCMWYEJ-GOSISDBHSA-N 0 0 448.500 4.276 50 0 IIAARN COc1ccc(N2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)nn1 ZINC000095477856 569373315 /nfs/dbraw/zinc/37/33/15/569373315.db2.gz XVZMPTKIGIVRQK-UHFFFAOYSA-N 0 0 430.552 4.040 50 0 IIAARN C[C@@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)c1nnc2ccccn21 ZINC000095478392 569373481 /nfs/dbraw/zinc/37/34/81/569373481.db2.gz AZUFOLDJSTWKFY-CZUORRHYSA-N 0 0 433.339 4.425 50 0 IIAARN COc1ccc(CCc2nc3nccc(-c4ccc(Br)cc4)n3n2)cc1OC ZINC000095478792 569373525 /nfs/dbraw/zinc/37/35/25/569373525.db2.gz QDIDTHOLCKKRMX-UHFFFAOYSA-N 0 0 439.313 4.356 50 0 IIAARN Cc1nn(C)c(C)c1[C@H]1SCC(=O)Nc2ncn(-c3cccc(Br)c3)c21 ZINC000095480253 569373823 /nfs/dbraw/zinc/37/38/23/569373823.db2.gz WBBAMATYAOLAON-QGZVFWFLSA-N 0 0 432.347 4.409 50 0 IIAARN CCCCCOc1ccc(C(=O)CCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000095947159 569376465 /nfs/dbraw/zinc/37/64/65/569376465.db2.gz ROUHWKPDISWKQU-HXUWFJFHSA-N 0 0 437.602 4.034 50 0 IIAARN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)O[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000095962738 569377070 /nfs/dbraw/zinc/37/70/70/569377070.db2.gz CPINLPOYENGMNE-IFXJQAMLSA-N 0 0 432.314 4.031 50 0 IIAARN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000095995151 569378619 /nfs/dbraw/zinc/37/86/19/569378619.db2.gz PXRQHLQDORBELP-WBVHZDCISA-N 0 0 431.508 4.175 50 0 IIAARN C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 ZINC000096096358 569381155 /nfs/dbraw/zinc/38/11/55/569381155.db2.gz DEYCIMLFAVRKHX-OAQYLSRUSA-N 0 0 446.366 4.302 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103469 569381978 /nfs/dbraw/zinc/38/19/78/569381978.db2.gz UUTMOCJSFZFPIQ-GOSISDBHSA-N 0 0 445.890 4.366 50 0 IIAARN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114515 569382869 /nfs/dbraw/zinc/38/28/69/569382869.db2.gz VBXBQZGRHZQLFL-KRWDZBQOSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN Cc1nc(N(C)C)sc1[C@H]1c2c(c3ccccc3oc2=O)O[C@@H]1C(=O)Nc1ccccc1 ZINC000096115310 569383161 /nfs/dbraw/zinc/38/31/61/569383161.db2.gz KEBHNNBCWBQAIO-PXNSSMCTSA-N 0 0 447.516 4.156 50 0 biogenic IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(Cl)c2F)CCO1 ZINC000096116905 569383963 /nfs/dbraw/zinc/38/39/63/569383963.db2.gz LIPUFNZYIUXJQN-QFYYESIMSA-N 0 0 425.913 4.286 50 0 IIAARN CC(C)Cn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000096125417 569385612 /nfs/dbraw/zinc/38/56/12/569385612.db2.gz NRVQMMQITRIHNM-QGZVFWFLSA-N 0 0 432.977 4.060 50 0 IIAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cc2O1 ZINC000096221645 569387045 /nfs/dbraw/zinc/38/70/45/569387045.db2.gz SJIPHDYGTZDAMT-SFHVURJKSA-N 0 0 434.492 4.190 50 0 biogenic IIAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000096231525 569387608 /nfs/dbraw/zinc/38/76/08/569387608.db2.gz PAAOMLUZGMZGBT-LLVKDONJSA-N 0 0 426.341 4.097 50 0 IIAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000096279439 569389420 /nfs/dbraw/zinc/38/94/20/569389420.db2.gz FRTFLWGQHQVCDR-HXUWFJFHSA-N 0 0 432.609 4.226 50 0 IIAARN CCCS(=O)(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccco2)C2CCCCC2)c1 ZINC000096279747 569389439 /nfs/dbraw/zinc/38/94/39/569389439.db2.gz QQFHDEYUZHBLDL-UHFFFAOYSA-N 0 0 447.601 4.472 50 0 IIAARN CCCCNC(=O)N1C[C@@H](C(=O)NCCc2ccccc2OC)CC[C@@H]1c1ccccc1 ZINC000096281710 569390086 /nfs/dbraw/zinc/39/00/86/569390086.db2.gz HRLLJCRYRGDRPO-XZOQPEGZSA-N 0 0 437.584 4.317 50 0 IIAARN COCc1nnc(SCc2ccccc2C(=O)NCC(C)C)n1-c1ccc(OC)cc1 ZINC000096287036 569390331 /nfs/dbraw/zinc/39/03/31/569390331.db2.gz HSAFQVSHSFOOJJ-UHFFFAOYSA-N 0 0 440.569 4.100 50 0 IIAARN CC(C)c1nnc(SCc2ccccc2C(=O)N2CCOCC2)n1-c1ccccc1F ZINC000096288744 569390552 /nfs/dbraw/zinc/39/05/52/569390552.db2.gz FUEGWWZCTLFCFR-UHFFFAOYSA-N 0 0 440.544 4.295 50 0 IIAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)CC1CC1 ZINC000096289983 569390794 /nfs/dbraw/zinc/39/07/94/569390794.db2.gz HNOVIKYTYSCTQL-UHFFFAOYSA-N 0 0 436.961 4.358 50 0 IIAARN COCCNC(=O)c1ccccc1CSc1nnc(C(C)C)n1-c1ccccc1F ZINC000096291002 569390984 /nfs/dbraw/zinc/39/09/84/569390984.db2.gz FTYBXKBQURWQSZ-UHFFFAOYSA-N 0 0 428.533 4.198 50 0 IIAARN COc1ccccc1NC(=O)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)CC1CC1 ZINC000096294667 569391750 /nfs/dbraw/zinc/39/17/50/569391750.db2.gz MMWGAJDZXDRXLQ-UHFFFAOYSA-N 0 0 432.542 4.256 50 0 IIAARN COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)Nc2ncccc2OCC2CCCCC2)cc1 ZINC000096315679 569392779 /nfs/dbraw/zinc/39/27/79/569392779.db2.gz YZILNGDPNWLEQP-WTQUMQLASA-N 0 0 437.540 4.206 50 0 IIAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000096316844 569392830 /nfs/dbraw/zinc/39/28/30/569392830.db2.gz VPOTVQQFESNDIK-UHFFFAOYSA-N 0 0 426.992 4.465 50 0 IIAARN CCCS(=O)(=O)N1CCN(c2nc([C@@H](C)CC)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000096317484 569393532 /nfs/dbraw/zinc/39/35/32/569393532.db2.gz JVVVFKSYPYCTEN-IBGZPJMESA-N 0 0 444.645 4.060 50 0 IIAARN COc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(OC)cc5)nn34)C2)cc1 ZINC000096323752 569395491 /nfs/dbraw/zinc/39/54/91/569395491.db2.gz FTGDNJDJYVXJOO-UHFFFAOYSA-N 0 0 435.509 4.065 50 0 IIAARN O=C(NCCc1ccccc1)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323793 569395495 /nfs/dbraw/zinc/39/54/95/569395495.db2.gz NLXWUEZXVFVPOV-UHFFFAOYSA-N 0 0 437.956 4.422 50 0 IIAARN Cc1[nH]nc(-c2cc(S(=O)(=O)NCc3ccc(Br)cc3)c(C)s2)c1C ZINC000096341507 569396891 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IIAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)c1ccccc1 ZINC000003310606 569445487 /nfs/dbraw/zinc/44/54/87/569445487.db2.gz SNEABGXFJGEZKK-OAHLLOKOSA-N 0 0 427.453 4.055 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003313407 569445581 /nfs/dbraw/zinc/44/55/81/569445581.db2.gz OXFLGEMJELCTEH-VIFPVBQESA-N 0 0 437.201 4.356 50 0 IIAARN CC[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000003318680 569445868 /nfs/dbraw/zinc/44/58/68/569445868.db2.gz POEFJUVPZMCZCZ-OAHLLOKOSA-N 0 0 441.622 4.392 50 0 IIAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003320957 569445975 /nfs/dbraw/zinc/44/59/75/569445975.db2.gz UMTCOMAHIHBSHA-UHFFFAOYSA-N 0 0 441.443 4.064 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003324212 569446155 /nfs/dbraw/zinc/44/61/55/569446155.db2.gz JYIPUVAXWCHDBN-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(C(C)=O)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003326456 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COc1cc2c(cc1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1)oc1ccccc12 ZINC000003348404 569447274 /nfs/dbraw/zinc/44/72/74/569447274.db2.gz YMFHPXUJCYAHMJ-UHFFFAOYSA-N 0 0 435.455 4.243 50 0 IIAARN COc1ccc(OC)c(-c2csc(NC(=O)CCc3ccc(OC)c(OC)c3)n2)c1 ZINC000003352040 569447398 /nfs/dbraw/zinc/44/73/98/569447398.db2.gz PHEGKTRGONDYIK-UHFFFAOYSA-N 0 0 428.510 4.416 50 0 IIAARN Cc1cc(C(=O)COc2ncnc3sccc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003355499 569447565 /nfs/dbraw/zinc/44/75/65/569447565.db2.gz GAPUTGPEKIRFMW-MRXNPFEDSA-N 0 0 435.505 4.211 50 0 IIAARN COc1ccc(-c2nc(NC(=O)c3sc4[nH]c(C)nc(=O)c4c3C)sc2C)cc1 ZINC000003357139 569447673 /nfs/dbraw/zinc/44/76/73/569447673.db2.gz HLINBBUKCGYIHZ-UHFFFAOYSA-N 0 0 426.523 4.294 50 0 IIAARN Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000003358562 569447773 /nfs/dbraw/zinc/44/77/73/569447773.db2.gz UQYPCRGVRNCPRU-GOSISDBHSA-N 0 0 426.513 4.422 50 0 IIAARN CCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc(Cl)s2)nc2ccccc21 ZINC000003361003 569447941 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4.401 50 0 IIAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661098 569455927 /nfs/dbraw/zinc/45/59/27/569455927.db2.gz HKGFLESMVHNZJD-BJKOFHAPSA-N 0 0 448.494 4.070 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3N3CCc4ccccc43)ccc21 ZINC000031532710 569456652 /nfs/dbraw/zinc/45/66/52/569456652.db2.gz XASHQESGFKPSDX-UHFFFAOYSA-N 0 0 447.560 4.345 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)ccc1F ZINC000031773874 569457377 /nfs/dbraw/zinc/45/73/77/569457377.db2.gz XBPBFWURCTXLTI-HXUWFJFHSA-N 0 0 432.904 4.128 50 0 IIAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)n1 ZINC000031790277 569457417 /nfs/dbraw/zinc/45/74/17/569457417.db2.gz HNXLGWSPEYTIQY-UHFFFAOYSA-N 0 0 431.448 4.473 50 0 IIAARN Cc1sc2c(c1C)c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)c1ccc(Cl)cc1 ZINC000031818684 569458068 /nfs/dbraw/zinc/45/80/68/569458068.db2.gz LTWUVCQVLQDWMY-UHFFFAOYSA-N 0 0 449.923 4.321 50 0 IIAARN COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000229095101 569458215 /nfs/dbraw/zinc/45/82/15/569458215.db2.gz HFUFVDVWVSNGBM-BHPUWKKGSA-N 0 0 441.336 4.330 50 0 IIAARN CC[C@@](C)(CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)N1CCOCC1 ZINC000031929747 569458479 /nfs/dbraw/zinc/45/84/79/569458479.db2.gz DFTCTACDOGQDIN-DEOSSOPVSA-N 0 0 446.975 4.158 50 0 IIAARN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)c(OC)c1 ZINC000004064766 569458568 /nfs/dbraw/zinc/45/85/68/569458568.db2.gz MLXKFNWZFUGHFM-OPHFCASCSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN NC(=O)Nc1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 ZINC000032058245 569459022 /nfs/dbraw/zinc/45/90/22/569459022.db2.gz RXNFXEGGHFDYNG-UHFFFAOYSA-N 0 0 427.258 4.379 50 0 IIAARN CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032089585 569459534 /nfs/dbraw/zinc/45/95/34/569459534.db2.gz VAGDHQGOIYNUKR-UHFFFAOYSA-N 0 0 442.544 4.450 50 0 IIAARN CC(C)Cc1csc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032090456 569459546 /nfs/dbraw/zinc/45/95/46/569459546.db2.gz VEEMCXDMSSFDMV-UHFFFAOYSA-N 0 0 443.532 4.249 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(Cl)cc2)C12CCCC2 ZINC000032092366 569459657 /nfs/dbraw/zinc/45/96/57/569459657.db2.gz CWYJHADYKUPPIA-QFIPXVFZSA-N 0 0 440.971 4.198 50 0 IIAARN COc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004118431 569459674 /nfs/dbraw/zinc/45/96/74/569459674.db2.gz SWXBLBKBIWNBMH-UHFFFAOYSA-N 0 0 426.421 4.375 50 0 IIAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032094783 569459795 /nfs/dbraw/zinc/45/97/95/569459795.db2.gz BXTZJTLAPYCSPW-LJQANCHMSA-N 0 0 436.409 4.059 50 0 IIAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1 ZINC000032097462 569459927 /nfs/dbraw/zinc/45/99/27/569459927.db2.gz AYIJFCODRIKQNK-NRFANRHFSA-N 0 0 448.350 4.427 50 0 IIAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC3CC3)nn1-c1ccc(F)c(Cl)c1)C2 ZINC000032105253 569460185 /nfs/dbraw/zinc/46/01/85/569460185.db2.gz XMGCRHGLKSEWIH-UHFFFAOYSA-N 0 0 427.863 4.145 50 0 IIAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3Br)o1)C2 ZINC000032102678 569460208 /nfs/dbraw/zinc/46/02/08/569460208.db2.gz JPTRVICPIPFGNE-INIZCTEOSA-N 0 0 447.310 4.416 50 0 IIAARN CCOC(=O)CCCSc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccccc1 ZINC000004211427 569460986 /nfs/dbraw/zinc/46/09/86/569460986.db2.gz OZXBWHKRZCKODN-UHFFFAOYSA-N 0 0 427.526 4.387 50 0 IIAARN CCOCCOCc1cccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000032373530 569461466 /nfs/dbraw/zinc/46/14/66/569461466.db2.gz VXXYKGJQCCSTKQ-FQEVSTJZSA-N 0 0 448.972 4.012 50 0 IIAARN COc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C2CC2)cc1 ZINC000032412157 569461569 /nfs/dbraw/zinc/46/15/69/569461569.db2.gz MJALCSARCOYADY-INIZCTEOSA-N 0 0 443.341 4.002 50 0 IIAARN O=C(NCCCOC1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032422988 569461628 /nfs/dbraw/zinc/46/16/28/569461628.db2.gz OSBNZVWRYPIPHH-UHFFFAOYSA-N 0 0 427.994 4.282 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCS[C@@H](c3ccccc3F)CC2)cc1 ZINC000219111238 569461708 /nfs/dbraw/zinc/46/17/08/569461708.db2.gz ZNAJSIPFQRLXNB-OAQYLSRUSA-N 0 0 435.586 4.257 50 0 IIAARN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032491485 569461850 /nfs/dbraw/zinc/46/18/50/569461850.db2.gz CUCKTARHFUIJGS-HNNXBMFYSA-N 0 0 432.517 4.117 50 0 IIAARN COc1ccc(CCNc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1OC ZINC000008209825 569462419 /nfs/dbraw/zinc/46/24/19/569462419.db2.gz UMIXPYCAGOHLBF-UHFFFAOYSA-N 0 0 425.554 4.161 50 0 IIAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)c1 ZINC000038487293 569462892 /nfs/dbraw/zinc/46/28/92/569462892.db2.gz FGEWECAUEJSAAT-UHFFFAOYSA-N 0 0 438.487 4.176 50 0 IIAARN COC(=O)[C@@](Nc1ccc(C)c(Cl)c1)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F ZINC000008399262 569463272 /nfs/dbraw/zinc/46/32/72/569463272.db2.gz WMBHUQAOMRADGA-SFHVURJKSA-N 0 0 433.810 4.414 50 0 IIAARN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000038546401 569463580 /nfs/dbraw/zinc/46/35/80/569463580.db2.gz UOFNUEQFDYWTKY-NRFANRHFSA-N 0 0 425.554 4.247 50 0 IIAARN CCOc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc(OCC)c1OCC ZINC000067197565 569464466 /nfs/dbraw/zinc/46/44/66/569464466.db2.gz VMAHEWGLNUPAPG-KRWDZBQOSA-N 0 0 429.513 4.225 50 0 IIAARN O=C(c1ccc(F)cc1Cl)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205854 569464597 /nfs/dbraw/zinc/46/45/97/569464597.db2.gz TUYNMMKGMYRIDX-UHFFFAOYSA-N 0 0 429.835 4.278 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208461 569464706 /nfs/dbraw/zinc/46/47/06/569464706.db2.gz ORSFLMWSTFFRFA-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000067209113 569464807 /nfs/dbraw/zinc/46/48/07/569464807.db2.gz XHUWZQTVXDTWMP-HUUCEWRRSA-N 0 0 427.595 4.352 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)Nc4c(F)cccc4F)c(C)n3n2)cc1 ZINC000038625976 569464852 /nfs/dbraw/zinc/46/48/52/569464852.db2.gz HJMZLWMWQJFNDI-UHFFFAOYSA-N 0 0 443.479 4.417 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236231 569465383 /nfs/dbraw/zinc/46/53/83/569465383.db2.gz LEVUXBVISIDISZ-UHFFFAOYSA-N 0 0 428.901 4.059 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236347 569465431 /nfs/dbraw/zinc/46/54/31/569465431.db2.gz XSNGKDCXSVIMSP-UHFFFAOYSA-N 0 0 442.928 4.367 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237576 569465523 /nfs/dbraw/zinc/46/55/23/569465523.db2.gz LTMDKGABQSGIJN-IBGZPJMESA-N 0 0 448.523 4.057 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237737 569465540 /nfs/dbraw/zinc/46/55/40/569465540.db2.gz VXUNMRIZZDBIAN-UHFFFAOYSA-N 0 0 449.374 4.182 50 0 IIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000067239018 569465621 /nfs/dbraw/zinc/46/56/21/569465621.db2.gz QKGWKDQBXQQZQM-WBVHZDCISA-N 0 0 426.586 4.234 50 0 IIAARN Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)nnn1Cc1cccc(Br)c1 ZINC000067240136 569465694 /nfs/dbraw/zinc/46/56/94/569465694.db2.gz IYLUCISWYGVXCF-UHFFFAOYSA-N 0 0 441.116 4.230 50 0 IIAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(Br)c2)c1 ZINC000067246407 569465998 /nfs/dbraw/zinc/46/59/98/569465998.db2.gz KLHVPFGPFRSMCS-UHFFFAOYSA-N 0 0 441.329 4.313 50 0 IIAARN CN(C)c1ccc(-n2c(SCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 ZINC000067259066 569466184 /nfs/dbraw/zinc/46/61/84/569466184.db2.gz VMLOEZIJPORMNB-UHFFFAOYSA-N 0 0 431.517 4.473 50 0 IIAARN O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccc2c(c1)OCO2 ZINC000067259403 569466252 /nfs/dbraw/zinc/46/62/52/569466252.db2.gz YZPCXSJQNOCXFA-UHFFFAOYSA-N 0 0 446.484 4.195 50 0 IIAARN COc1ccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)cc1 ZINC000067260204 569466316 /nfs/dbraw/zinc/46/63/16/569466316.db2.gz IGTPBFFKBVXOPR-UHFFFAOYSA-N 0 0 433.942 4.236 50 0 IIAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCc4cccs4)ccn3n2)cc1 ZINC000067261030 569466433 /nfs/dbraw/zinc/46/64/33/569466433.db2.gz FZYULOHMLNWLIE-UHFFFAOYSA-N 0 0 434.565 4.097 50 0 IIAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(F)cc4)ccn3n2)cc1 ZINC000067260984 569466446 /nfs/dbraw/zinc/46/64/46/569466446.db2.gz LMZOJVBIAJIUMY-UHFFFAOYSA-N 0 0 432.499 4.132 50 0 IIAARN O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000038671831 569466567 /nfs/dbraw/zinc/46/65/67/569466567.db2.gz PPIKIYBOVHWDIP-LLVKDONJSA-N 0 0 432.299 4.157 50 0 IIAARN COc1ccccc1C1(CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)CCOCC1 ZINC000038680311 569466752 /nfs/dbraw/zinc/46/67/52/569466752.db2.gz VIEYYIIQUAVXTR-UHFFFAOYSA-N 0 0 444.380 4.337 50 0 IIAARN Clc1ccc(-c2cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000067284781 569466775 /nfs/dbraw/zinc/46/67/75/569466775.db2.gz GVLWPPRLEUTVLZ-UHFFFAOYSA-N 0 0 447.926 4.101 50 0 IIAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCO5)nccn3n2)cc1C ZINC000067289921 569467510 /nfs/dbraw/zinc/46/75/10/569467510.db2.gz NILDNUXCNXAICQ-UHFFFAOYSA-N 0 0 432.505 4.473 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292874 569467737 /nfs/dbraw/zinc/46/77/37/569467737.db2.gz JZMUOUISWGBZKL-ZZNYDNHMSA-N 0 0 440.883 4.014 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000067294134 569467890 /nfs/dbraw/zinc/46/78/90/569467890.db2.gz LRUURYNASOWOSL-UYNDQYDWSA-N 0 0 442.899 4.245 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038726884 569468310 /nfs/dbraw/zinc/46/83/10/569468310.db2.gz NCGFBXWBYAJSEC-RTWAWAEBSA-N 0 0 444.934 4.111 50 0 IIAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1CCO ZINC000067301747 569468351 /nfs/dbraw/zinc/46/83/51/569468351.db2.gz APTCGPYSOKFLRN-UHFFFAOYSA-N 0 0 439.943 4.169 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038729541 569468360 /nfs/dbraw/zinc/46/83/60/569468360.db2.gz WQXKXFWEEKFIJS-PMACEKPBSA-N 0 0 435.524 4.037 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3cccc(C)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319544 569468515 /nfs/dbraw/zinc/46/85/15/569468515.db2.gz VMSZYRATWXMAIO-UHFFFAOYSA-N 0 0 432.549 4.048 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(Cl)cc1 ZINC000067322429 569468677 /nfs/dbraw/zinc/46/86/77/569468677.db2.gz YZURAZGLURJVOC-UHFFFAOYSA-N 0 0 438.702 4.438 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1c(C)cccc1C ZINC000067323592 569468796 /nfs/dbraw/zinc/46/87/96/569468796.db2.gz CWZYLCQWVMRQSK-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 ZINC000067335303 569468899 /nfs/dbraw/zinc/46/88/99/569468899.db2.gz ZEKWKYDDLQEKJO-UHFFFAOYSA-N 0 0 441.534 4.229 50 0 IIAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000008589228 569469232 /nfs/dbraw/zinc/46/92/32/569469232.db2.gz MXNUDYAHRXGKML-UHFFFAOYSA-N 0 0 426.472 4.323 50 0 IIAARN Cc1cc(C)n2nc(S[C@@H](C)c3nc(=O)c4c5c(sc4[nH]3)C[C@@H](C)CC5)nc2n1 ZINC000008621862 569469455 /nfs/dbraw/zinc/46/94/55/569469455.db2.gz VWSFXYHPIHFAHI-CABZTGNLSA-N 0 0 426.571 4.017 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1Br ZINC000008704929 569470375 /nfs/dbraw/zinc/47/03/75/569470375.db2.gz KUHIMFOFRUAHEK-UHFFFAOYSA-N 0 0 445.342 4.421 50 0 IIAARN COc1ccc(Nc2ncnc3sc(C)c(C)c32)cc1S(=O)(=O)N1CCCCC1 ZINC000008710475 569470953 /nfs/dbraw/zinc/47/09/53/569470953.db2.gz QLJGQQHOMBIZJK-UHFFFAOYSA-N 0 0 432.571 4.235 50 0 IIAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000008719164 569471364 /nfs/dbraw/zinc/47/13/64/569471364.db2.gz CFBBXKFKCOWQFV-HKUYNNGSSA-N 0 0 440.594 4.298 50 0 IIAARN CCCn1c2ccc(Cl)cc2nc1SCCN1C(=O)c2ccccc2S1(=O)=O ZINC000008719873 569471479 /nfs/dbraw/zinc/47/14/79/569471479.db2.gz WRBUUMZUOAGWAY-UHFFFAOYSA-N 0 0 435.958 4.037 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1 ZINC000008723400 569471800 /nfs/dbraw/zinc/47/18/00/569471800.db2.gz FZWQSEUBWCDVMN-UHFFFAOYSA-N 0 0 435.509 4.279 50 0 IIAARN COCCn1c2ccccc2nc1SCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000008723686 569471883 /nfs/dbraw/zinc/47/18/83/569471883.db2.gz VREJAOZPKJJXTO-UHFFFAOYSA-N 0 0 426.567 4.043 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1sccc1-n1cccc1 ZINC000008728216 569472423 /nfs/dbraw/zinc/47/24/23/569472423.db2.gz PARCUMVMJIFTQL-UHFFFAOYSA-N 0 0 447.582 4.220 50 0 IIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008735751 569472661 /nfs/dbraw/zinc/47/26/61/569472661.db2.gz CSMGBKCAAVSGDX-UHFFFAOYSA-N 0 0 442.515 4.174 50 0 IIAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1F ZINC000008747868 569473146 /nfs/dbraw/zinc/47/31/46/569473146.db2.gz DBNOGLQTPIVAGW-UHFFFAOYSA-N 0 0 446.475 4.046 50 0 IIAARN COC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000008749289 569473273 /nfs/dbraw/zinc/47/32/73/569473273.db2.gz XRYDJRJUCZFVPN-CVEARBPZSA-N 0 0 437.565 4.212 50 0 IIAARN CCc1cc2c(ncn(CC(=O)N(Cc3cccs3)c3ccc(OC)cc3)c2=O)s1 ZINC000008751974 569473488 /nfs/dbraw/zinc/47/34/88/569473488.db2.gz LNCMYVSHYUWONN-UHFFFAOYSA-N 0 0 439.562 4.324 50 0 IIAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000008752950 569473613 /nfs/dbraw/zinc/47/36/13/569473613.db2.gz UZNXYIAPQVBMFK-UHFFFAOYSA-N 0 0 443.345 4.022 50 0 IIAARN CCOc1ccc(Oc2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000008754168 569473775 /nfs/dbraw/zinc/47/37/75/569473775.db2.gz WDTYUUVVMVJNEV-UHFFFAOYSA-N 0 0 440.521 4.380 50 0 IIAARN CC(C)Cn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1ccccc1F ZINC000008763006 569474346 /nfs/dbraw/zinc/47/43/46/569474346.db2.gz CLNQMBUCGMXSKQ-HNNXBMFYSA-N 0 0 447.580 4.379 50 0 IIAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCCc3c[nH]cn3)c(=O)oc12 ZINC000008764536 569474611 /nfs/dbraw/zinc/47/46/11/569474611.db2.gz GPZYSNXDSSEGOJ-UHFFFAOYSA-N 0 0 441.487 4.448 50 0 biogenic IIAARN CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)C1 ZINC000008765194 569474749 /nfs/dbraw/zinc/47/47/49/569474749.db2.gz YKWNMRRPEIHVQV-KRWDZBQOSA-N 0 0 439.508 4.199 50 0 biogenic IIAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 ZINC000008772326 569475288 /nfs/dbraw/zinc/47/52/88/569475288.db2.gz YPLLIBKPQDRXQA-UHFFFAOYSA-N 0 0 431.817 4.315 50 0 IIAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000008775749 569475353 /nfs/dbraw/zinc/47/53/53/569475353.db2.gz HKKIHABPQHKNRT-DEOSSOPVSA-N 0 0 425.488 4.229 50 0 IIAARN COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccn3)cs2)[C@@]1(O)C(F)(F)F ZINC000008777903 569475480 /nfs/dbraw/zinc/47/54/80/569475480.db2.gz RBSGBCDKLQBTMC-YWZLYKJASA-N 0 0 446.454 4.251 50 0 IIAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008815811 569476798 /nfs/dbraw/zinc/47/67/98/569476798.db2.gz XXUGZXZOIVHTCS-UHFFFAOYSA-N 0 0 435.483 4.369 50 0 IIAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000008825356 569477332 /nfs/dbraw/zinc/47/73/32/569477332.db2.gz ONQXBXFTDXTVKJ-SFHVURJKSA-N 0 0 435.526 4.031 50 0 IIAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008834505 569477920 /nfs/dbraw/zinc/47/79/20/569477920.db2.gz ALUYXTVEYXRQTI-KRWDZBQOSA-N 0 0 434.366 4.447 50 0 IIAARN COc1cccc(NC(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1OC ZINC000008839680 569478319 /nfs/dbraw/zinc/47/83/19/569478319.db2.gz XKWLZCBMJFAIQQ-GFCCVEGCSA-N 0 0 440.283 4.158 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1F ZINC000008840978 569478452 /nfs/dbraw/zinc/47/84/52/569478452.db2.gz PJUZNVQFWSLJHO-UHFFFAOYSA-N 0 0 434.533 4.351 50 0 IIAARN COc1cc(Br)cc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c(=O)oc21 ZINC000008843663 569478503 /nfs/dbraw/zinc/47/85/03/569478503.db2.gz WHCAUZVJJZAVEQ-JTQLQIEISA-N 0 0 449.228 4.131 50 0 IIAARN CC(=O)Nc1ccc(OC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008844030 569478514 /nfs/dbraw/zinc/47/85/14/569478514.db2.gz CUKWCFHBHJLWIR-UHFFFAOYSA-N 0 0 425.444 4.282 50 0 IIAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCCCn1ccnc1)c1ccc(F)cc1 ZINC000008844602 569478633 /nfs/dbraw/zinc/47/86/33/569478633.db2.gz LJYDAKNHMXUBMA-UHFFFAOYSA-N 0 0 426.473 4.012 50 0 IIAARN CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845353 569478797 /nfs/dbraw/zinc/47/87/97/569478797.db2.gz OPUCTGDZUQCRQM-DEOSSOPVSA-N 0 0 426.476 4.321 50 0 IIAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCCn2nc(C)cc2C)c1 ZINC000008848911 569479183 /nfs/dbraw/zinc/47/91/83/569479183.db2.gz ONGKNPKLGHIDGK-UHFFFAOYSA-N 0 0 443.551 4.240 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000008850345 569479317 /nfs/dbraw/zinc/47/93/17/569479317.db2.gz DTCIPGYXSKVERB-CYBMUJFWSA-N 0 0 443.550 4.173 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)c1 ZINC000008850950 569479329 /nfs/dbraw/zinc/47/93/29/569479329.db2.gz IOIFXTMVRBNWKI-OAHLLOKOSA-N 0 0 441.578 4.302 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(OC)cc3)cs2)cc1 ZINC000008851514 569479425 /nfs/dbraw/zinc/47/94/25/569479425.db2.gz XZULEZJFCIBXFG-UHFFFAOYSA-N 0 0 443.550 4.072 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008851999 569479466 /nfs/dbraw/zinc/47/94/66/569479466.db2.gz OFGNAINDGKUARR-UHFFFAOYSA-N 0 0 431.514 4.203 50 0 IIAARN COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)cc1OC ZINC000008852991 569479575 /nfs/dbraw/zinc/47/95/75/569479575.db2.gz OBLFLOIDMFWLEG-LJQANCHMSA-N 0 0 425.510 4.210 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Cl)c1 ZINC000008855628 569479673 /nfs/dbraw/zinc/47/96/73/569479673.db2.gz DCKBCCFGRAXPEZ-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c2ccccc2S1 ZINC000008855661 569479687 /nfs/dbraw/zinc/47/96/87/569479687.db2.gz XLRYEUULQNQXMP-FPTDNZKUSA-N 0 0 443.956 4.025 50 0 IIAARN CCCCn1nnnc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000008860826 569479933 /nfs/dbraw/zinc/47/99/33/569479933.db2.gz SATLGTIMFJTJHR-UHFFFAOYSA-N 0 0 426.937 4.062 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000008862308 569480176 /nfs/dbraw/zinc/48/01/76/569480176.db2.gz BUFROTFTSTZVRW-VWLOTQADSA-N 0 0 428.536 4.129 50 0 IIAARN Cc1csc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)n1 ZINC000008865491 569480266 /nfs/dbraw/zinc/48/02/66/569480266.db2.gz AESBTHJEYVWATE-UHFFFAOYSA-N 0 0 425.535 4.186 50 0 IIAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008869370 569480458 /nfs/dbraw/zinc/48/04/58/569480458.db2.gz GUDQCFRYQMAWNL-QFIPXVFZSA-N 0 0 437.492 4.028 50 0 IIAARN CC(C)OCCCNC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc21 ZINC000008871100 569480713 /nfs/dbraw/zinc/48/07/13/569480713.db2.gz KBIAXFGSNDXOPX-QGZVFWFLSA-N 0 0 431.540 4.321 50 0 IIAARN COc1cc(CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c(OC)cc1Br ZINC000008880069 569481412 /nfs/dbraw/zinc/48/14/12/569481412.db2.gz JRXTYAFLIBMVBV-ZDUSSCGKSA-N 0 0 433.302 4.132 50 0 IIAARN COc1ccccc1COC[C@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000039985717 569482310 /nfs/dbraw/zinc/48/23/10/569482310.db2.gz DGHFFYAAZUSYEE-ZDUSSCGKSA-N 0 0 447.866 4.080 50 0 IIAARN Cc1ccc(-n2cnnc2SCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000040024295 569482767 /nfs/dbraw/zinc/48/27/67/569482767.db2.gz WSPSXVDPBKLMKP-UHFFFAOYSA-N 0 0 428.366 4.449 50 0 IIAARN COc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1Sc1ccc2nnnn2n1 ZINC000040025158 569482790 /nfs/dbraw/zinc/48/27/90/569482790.db2.gz BKNZXDCWXYAOEB-UHFFFAOYSA-N 0 0 435.900 4.185 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCC(=O)c3cc(C)sc3C)c2C)no1 ZINC000008881836 569482936 /nfs/dbraw/zinc/48/29/36/569482936.db2.gz BOSUEBSZJZKELH-UHFFFAOYSA-N 0 0 428.510 4.458 50 0 IIAARN CCNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000008895659 569483825 /nfs/dbraw/zinc/48/38/25/569483825.db2.gz WUHAXOXYSVBMAE-GOSISDBHSA-N 0 0 439.516 4.098 50 0 IIAARN COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008895994 569483888 /nfs/dbraw/zinc/48/38/88/569483888.db2.gz BXCVEFSMLWNOSZ-KRWDZBQOSA-N 0 0 445.548 4.057 50 0 IIAARN Cc1cc(CN2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)no1 ZINC000040052428 569484523 /nfs/dbraw/zinc/48/45/23/569484523.db2.gz HZKSADPHEWLEMN-UHFFFAOYSA-N 0 0 434.521 4.325 50 0 IIAARN Cc1cc(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)ccc1Br ZINC000008912741 569485102 /nfs/dbraw/zinc/48/51/02/569485102.db2.gz SYYYZLOFTBLRHH-UHFFFAOYSA-N 0 0 432.343 4.456 50 0 IIAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000008913124 569485234 /nfs/dbraw/zinc/48/52/34/569485234.db2.gz SIJJHEOOTRUOAU-UHFFFAOYSA-N 0 0 447.564 4.437 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000008916696 569485807 /nfs/dbraw/zinc/48/58/07/569485807.db2.gz UWAXYSIOILNPOI-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008917389 569486023 /nfs/dbraw/zinc/48/60/23/569486023.db2.gz YWSXMBDFJMARQU-UHFFFAOYSA-N 0 0 431.876 4.220 50 0 IIAARN COc1cc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2cc(C)sc2C)C(C)C)cc(OC)c1OC ZINC000040074242 569486227 /nfs/dbraw/zinc/48/62/27/569486227.db2.gz DAWUKJIRDWOLDR-VBKZILBWSA-N 0 0 448.585 4.023 50 0 IIAARN COc1cccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c4ccccc4[nH]c32)c1 ZINC000008918540 569486287 /nfs/dbraw/zinc/48/62/87/569486287.db2.gz NYJLQOCWGWWQNM-UHFFFAOYSA-N 0 0 425.492 4.408 50 0 biogenic IIAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3cc(C)ccc3C)C2=O)cc1OC ZINC000008919119 569486381 /nfs/dbraw/zinc/48/63/81/569486381.db2.gz IYRRBKWEVHQHOH-HHHXNRCGSA-N 0 0 445.515 4.328 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(OCC)c2)N3)C1 ZINC000008921465 569486856 /nfs/dbraw/zinc/48/68/56/569486856.db2.gz FFTXWRHMVNQRPC-GOSISDBHSA-N 0 0 431.514 4.099 50 0 IIAARN CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000008924574 569487201 /nfs/dbraw/zinc/48/72/01/569487201.db2.gz XSZSKSDXWYIRSB-HUUCEWRRSA-N 0 0 428.533 4.471 50 0 IIAARN Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c2ccc(F)cc2n1 ZINC000040113285 569489021 /nfs/dbraw/zinc/48/90/21/569489021.db2.gz DBKNWLZIBLYBFW-UHFFFAOYSA-N 0 0 429.854 4.073 50 0 IIAARN Cc1ccc(OCC(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc1C ZINC000040114372 569489082 /nfs/dbraw/zinc/48/90/82/569489082.db2.gz BOHFCLOFJDDYMT-GOSISDBHSA-N 0 0 427.520 4.273 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000040115347 569489205 /nfs/dbraw/zinc/48/92/05/569489205.db2.gz QEIPQZCGFKFPEP-UHFFFAOYSA-N 0 0 427.379 4.226 50 0 IIAARN CC(=O)NCC(=O)N(c1ccc(C)cc1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000008951951 569489925 /nfs/dbraw/zinc/48/99/25/569489925.db2.gz ODDOJUJOWHSRJQ-UHFFFAOYSA-N 0 0 435.568 4.423 50 0 IIAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)c1 ZINC000008955775 569490151 /nfs/dbraw/zinc/49/01/51/569490151.db2.gz RXTTVDRXOMZQCP-UHFFFAOYSA-N 0 0 434.521 4.093 50 0 IIAARN Cc1nn2c(nc(N3CCN(C(=O)N(C)Cc4ccccc4)CC3)c3ccccc32)c1Cl ZINC000040135296 569490606 /nfs/dbraw/zinc/49/06/06/569490606.db2.gz CACWHCPYAJQBAA-UHFFFAOYSA-N 0 0 448.958 4.218 50 0 IIAARN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000040139126 569490839 /nfs/dbraw/zinc/49/08/39/569490839.db2.gz KMRIUQLGFXVJOF-OAQYLSRUSA-N 0 0 432.520 4.117 50 0 IIAARN Cc1sc2ncn(CCC(=O)Nc3nc4ccccc4n3-c3ccccc3)c(=O)c2c1C ZINC000040139406 569490906 /nfs/dbraw/zinc/49/09/06/569490906.db2.gz CLLIQXJTCJCWID-UHFFFAOYSA-N 0 0 443.532 4.443 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961263 569490994 /nfs/dbraw/zinc/49/09/94/569490994.db2.gz YUFHVGXRWNZZIR-UHFFFAOYSA-N 0 0 437.477 4.112 50 0 IIAARN O=C(Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1)c1ccc(Br)o1 ZINC000040140052 569491511 /nfs/dbraw/zinc/49/15/11/569491511.db2.gz DGYZWPWOPBWLFM-UHFFFAOYSA-N 0 0 425.242 4.423 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000008965219 569491390 /nfs/dbraw/zinc/49/13/90/569491390.db2.gz JROCNYVGFAVOAR-PXNSSMCTSA-N 0 0 428.536 4.285 50 0 IIAARN Cc1c2cnn(CC(=O)NCCC3=CCCCC3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000008965420 569491441 /nfs/dbraw/zinc/49/14/41/569491441.db2.gz LOIBQAAKVDFKGT-UHFFFAOYSA-N 0 0 432.568 4.178 50 0 IIAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000040140451 569491630 /nfs/dbraw/zinc/49/16/30/569491630.db2.gz HPDKPJJJFYMAPR-UHFFFAOYSA-N 0 0 426.889 4.068 50 0 IIAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(Br)s1 ZINC000008998192 569495975 /nfs/dbraw/zinc/49/59/75/569495975.db2.gz BZHILPKCOUXNCW-MNDPQUGUSA-N 0 0 429.336 4.444 50 0 IIAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H](C)Cn2nc(C)cc2C)c1 ZINC000040146868 569492384 /nfs/dbraw/zinc/49/23/84/569492384.db2.gz SVWAENSAAOCUES-LJQANCHMSA-N 0 0 443.551 4.488 50 0 IIAARN COc1ccc(-c2nn(CN(Cc3ccccn3)[C@@H]3CCSC3)c(=S)o2)cc1OC ZINC000040149126 569492405 /nfs/dbraw/zinc/49/24/05/569492405.db2.gz YROYKEGPBAJDPS-QGZVFWFLSA-N 0 0 444.582 4.250 50 0 IIAARN O=C(CN1CCC[C@H](C(=O)Nc2nccs2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000040149646 569492540 /nfs/dbraw/zinc/49/25/40/569492540.db2.gz YKQFDMMGKYTJRW-NSHDSACASA-N 0 0 446.882 4.105 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NC(=O)CSc2nnc(NCc3ccco3)s2)cc1 ZINC000008980682 569493113 /nfs/dbraw/zinc/49/31/13/569493113.db2.gz CLXBWOPTRLTDLW-UHFFFAOYSA-N 0 0 430.555 4.089 50 0 IIAARN O=C(N[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1)c1ccn(-c2ccccc2)n1 ZINC000040155080 569493814 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525103043 /nfs/dbraw/zinc/10/30/43/525103043.db2.gz XIVAXMVCXZXYFB-UHFFFAOYSA-N 0 0 448.610 4.379 50 0 IIAARN Cc1ccccc1CN1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)CC1 ZINC000022833622 525142520 /nfs/dbraw/zinc/14/25/20/525142520.db2.gz UALYKCDFHVRCSH-UHFFFAOYSA-N 0 0 448.567 4.417 50 0 IIAARN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC000009667979 525150928 /nfs/dbraw/zinc/15/09/28/525150928.db2.gz LFGDHBIGSOVDCY-UHFFFAOYSA-N 0 0 428.941 4.012 50 0 IIAARN Cc1ccccc1CNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565272 525154767 /nfs/dbraw/zinc/15/47/67/525154767.db2.gz IIJAXQYDALHDMH-UHFFFAOYSA-N 0 0 432.549 4.393 50 0 IIAARN COc1ccc([C@@H](CC(=O)Nc2cc(OC)ccc2OC)N2Cc3ccccc3C2=O)cc1 ZINC000020560650 525171593 /nfs/dbraw/zinc/17/15/93/525171593.db2.gz ZJTOUGGKRUWGBU-HSZRJFAPSA-N 0 0 446.503 4.438 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1F ZINC000012917742 525190699 /nfs/dbraw/zinc/19/06/99/525190699.db2.gz ZMASYZJVQBTYHO-CQSZACIVSA-N 0 0 436.325 4.103 50 0 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Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4O)C3)no2)cc1 ZINC000021724706 525808800 /nfs/dbraw/zinc/80/88/00/525808800.db2.gz CAYRHFSKRISEPY-MRXNPFEDSA-N 0 0 426.904 4.255 50 0 IIAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3ccccc3)C2)c1 ZINC000036041281 525810025 /nfs/dbraw/zinc/81/00/25/525810025.db2.gz UKZVQRKRYGSJMR-ZEQRLZLVSA-N 0 0 432.495 4.007 50 0 IIAARN COc1cccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CCN2Cc2ccccc2)c1 ZINC000036041034 525820468 /nfs/dbraw/zinc/82/04/68/525820468.db2.gz KWJWXKGDTRBOBI-XMMPIXPASA-N 0 0 446.547 4.242 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000016742572 525833771 /nfs/dbraw/zinc/83/37/71/525833771.db2.gz CIRMXDIICDADJC-ZENOOKHLSA-N 0 0 436.426 4.163 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)CCCc4c[nH]c5ccccc45)CC3)n2)cc1 ZINC000012759501 525877754 /nfs/dbraw/zinc/87/77/54/525877754.db2.gz SMAKCDKNZFDWHL-UHFFFAOYSA-N 0 0 443.551 4.193 50 0 IIAARN COc1cccc(CN(C(=O)c2sc3ccccc3c2Cl)[C@H]2CCS(=O)(=O)C2)c1 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Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cccc(C)c2)c2ccccc23)cc1 ZINC000002713133 555801493 /nfs/dbraw/zinc/80/14/93/555801493.db2.gz MNMDRPHWUXEJIT-UHFFFAOYSA-N 0 0 429.505 4.471 50 0 aggregator IIAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccc(F)cc1 ZINC000002729229 555803402 /nfs/dbraw/zinc/80/34/02/555803402.db2.gz AOSOIHDLZYQDLC-JOCHJYFZSA-N 0 0 447.535 4.399 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002730046 555803729 /nfs/dbraw/zinc/80/37/29/555803729.db2.gz JLBRWVMZMSLFJK-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN O=c1c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccccc2Cl)c(=O)n1C1CC1 ZINC000034693025 555805906 /nfs/dbraw/zinc/80/59/06/555805906.db2.gz RNHAGNZDVPKXII-UHFFFAOYSA-N 0 0 427.291 4.039 50 0 IIAARN COc1cccc(-n2c3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)n(C3CC3)c2=O)c1 ZINC000034693326 555806559 /nfs/dbraw/zinc/80/65/59/555806559.db2.gz OXWLZOJOLFTQOZ-UHFFFAOYSA-N 0 0 444.535 4.038 50 0 IIAARN Cc1ccccc1-n1c2ncn([C@@H](C)c3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O 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O=C(Nc1ccc(I)cc1F)c1c(F)c(F)c(F)c(F)c1F ZINC000002845698 555837287 /nfs/dbraw/zinc/83/72/87/555837287.db2.gz DRULEUVLAVVUGR-UHFFFAOYSA-N 0 0 431.073 4.378 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002849868 555838640 /nfs/dbraw/zinc/83/86/40/555838640.db2.gz FPVSFQVTCZMZNQ-UHFFFAOYSA-N 0 0 448.686 4.468 50 0 IIAARN CCOc1ccc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)sc2c1 ZINC000002861001 555844457 /nfs/dbraw/zinc/84/44/57/555844457.db2.gz FHASWZYKMYHGDT-UHFFFAOYSA-N 0 0 432.567 4.163 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002862388 555845444 /nfs/dbraw/zinc/84/54/44/555845444.db2.gz KVRIFVXEOSUJFN-UHFFFAOYSA-N 0 0 431.341 4.041 50 0 IIAARN C[NH+](C)CCCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002866658 555847404 /nfs/dbraw/zinc/84/74/04/555847404.db2.gz ZHSXNWKLLXOUNW-UHFFFAOYSA-N 0 0 437.924 4.331 50 0 IIAARN CCOC(=O)[C@](O)(c1ccc2nc(NC(=O)Nc3ccccc3)sc2c1)C(F)(F)F ZINC000002869432 555849063 /nfs/dbraw/zinc/84/90/63/555849063.db2.gz 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CCc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000002888674 555859044 /nfs/dbraw/zinc/85/90/44/555859044.db2.gz HFRNSJKCWPXIEM-UHFFFAOYSA-N 0 0 438.549 4.400 50 0 IIAARN Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034715805 555865116 /nfs/dbraw/zinc/86/51/16/555865116.db2.gz NUCQBUOBZMOAPQ-VQTJNVASSA-N 0 0 429.511 4.113 50 0 IIAARN CN1CCN(C(=O)c2csc(-c3ccc(OCc4c(F)cccc4F)cc3)n2)CC1 ZINC000034717199 555867050 /nfs/dbraw/zinc/86/70/50/555867050.db2.gz KERMMIKSTUKGDG-UHFFFAOYSA-N 0 0 429.492 4.055 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000002982232 555872494 /nfs/dbraw/zinc/87/24/94/555872494.db2.gz NQVRKYFUYCYROP-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2)cc1 ZINC000002984544 555873824 /nfs/dbraw/zinc/87/38/24/555873824.db2.gz ZRYMDMFAHUYNGU-IBGZPJMESA-N 0 0 438.549 4.158 50 0 IIAARN CC[C@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002989017 555874493 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COc1ccccc1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034759342 555903824 /nfs/dbraw/zinc/90/38/24/555903824.db2.gz BTUCPNJSKIZXJR-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN CC(C)(C)c1ccc(CN2C(=O)CSc3nnc(COc4ccc5c(c4)CCC5)n32)cc1 ZINC000034810019 555908163 /nfs/dbraw/zinc/90/81/63/555908163.db2.gz HJDZZTLHEIFJMU-UHFFFAOYSA-N 0 0 448.592 4.414 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3cn4cc(-c5ccc(F)c(C)c5)ccc4n3)CC2)c1 ZINC000034831119 555912287 /nfs/dbraw/zinc/91/22/87/555912287.db2.gz LFHHVUFOOKSLMM-UHFFFAOYSA-N 0 0 444.510 4.420 50 0 IIAARN COc1ccccc1-c1cc(C(=O)NCc2ccccn2)n2nc(-c3ccccc3)cc2n1 ZINC000034834099 555913558 /nfs/dbraw/zinc/91/35/58/555913558.db2.gz QAMIXBZCBVBLRN-UHFFFAOYSA-N 0 0 435.487 4.397 50 0 IIAARN O=C(NCC1CCCCC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000034839227 555914860 /nfs/dbraw/zinc/91/48/60/555914860.db2.gz HBGOQQHJUFSOOV-UHFFFAOYSA-N 0 0 447.558 4.406 50 0 IIAARN O=C(CCC1CCCC1)N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000034904822 555919266 /nfs/dbraw/zinc/91/92/66/555919266.db2.gz HNXZHKOWWWLSJT-UHFFFAOYSA-N 0 0 436.478 4.370 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCNC(=O)c3ccccc3Cl)cs2)c1 ZINC000034905378 555919731 /nfs/dbraw/zinc/91/97/31/555919731.db2.gz FNTNQKVKBMGABD-UHFFFAOYSA-N 0 0 443.956 4.152 50 0 IIAARN Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)CC(C)C)cs2)cc1 ZINC000034905364 555919808 /nfs/dbraw/zinc/91/98/08/555919808.db2.gz KFLKMANWHVVEFK-MOPGFXCFSA-N 0 0 429.586 4.234 50 0 IIAARN CCCCC(=O)NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1 ZINC000034905916 555920047 /nfs/dbraw/zinc/92/00/47/555920047.db2.gz VTEQYSLPIGKBKR-UHFFFAOYSA-N 0 0 433.549 4.209 50 0 IIAARN Cc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)nc2-c2ccccc2)c1 ZINC000034910915 555923257 /nfs/dbraw/zinc/92/32/57/555923257.db2.gz AJADXQUTZNTOBJ-UHFFFAOYSA-N 0 0 441.510 4.344 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)C)N(Cc1ccccc1F)CC2 ZINC000034855803 555924391 /nfs/dbraw/zinc/92/43/91/555924391.db2.gz LGWVHBZCCYZRMP-WAIKUNEKSA-N 0 0 429.536 4.038 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003364231 555927281 /nfs/dbraw/zinc/92/72/81/555927281.db2.gz ILXQJQKAAQMIQE-UHFFFAOYSA-N 0 0 437.569 4.092 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2ccc(F)c(C)c2)C3)CC1 ZINC000034898993 555928579 /nfs/dbraw/zinc/92/85/79/555928579.db2.gz DVXVFNHZGGKESK-HXUWFJFHSA-N 0 0 448.542 4.032 50 0 IIAARN CCCCCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000034899433 555928973 /nfs/dbraw/zinc/92/89/73/555928973.db2.gz XUHIRKJRZSLKTR-YTFSRNRJSA-N 0 0 441.616 4.053 50 0 IIAARN COc1ccc(N2C[C@@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034917628 555930805 /nfs/dbraw/zinc/93/08/05/555930805.db2.gz FTAHWHILKBSYQS-QHCPKHFHSA-N 0 0 428.532 4.320 50 0 IIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 ZINC000034924248 555932935 /nfs/dbraw/zinc/93/29/35/555932935.db2.gz BSJKTVRRQHHPDM-UHFFFAOYSA-N 0 0 425.337 4.294 50 0 IIAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCc4ccccc4)nn3c2C)cc1 ZINC000003631767 555942068 /nfs/dbraw/zinc/94/20/68/555942068.db2.gz OTFDSAUACUAIJM-UHFFFAOYSA-N 0 0 445.592 4.091 50 0 IIAARN Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NCCc3ccccc3)nn2c1C ZINC000003631664 555942073 /nfs/dbraw/zinc/94/20/73/555942073.db2.gz IPFVOPWGIWMNGG-UHFFFAOYSA-N 0 0 445.592 4.091 50 0 IIAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000003883013 555950941 /nfs/dbraw/zinc/95/09/41/555950941.db2.gz ZWVHFEIJZXCZBI-INIZCTEOSA-N 0 0 432.546 4.435 50 0 IIAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000004100695 555962188 /nfs/dbraw/zinc/96/21/88/555962188.db2.gz BOJMLDXPVUJIPT-NRFANRHFSA-N 0 0 436.489 4.260 50 0 IIAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c1 ZINC000004195650 555975319 /nfs/dbraw/zinc/97/53/19/555975319.db2.gz ISWBNGXYKQYXGR-NRFANRHFSA-N 0 0 439.487 4.333 50 0 IIAARN O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000004207939 555976452 /nfs/dbraw/zinc/97/64/52/555976452.db2.gz RKLLRLUICMBOFD-FTUNRGFVSA-N 0 0 440.293 4.204 50 0 IIAARN Cc1csc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000010555740 555977809 /nfs/dbraw/zinc/97/78/09/555977809.db2.gz JMUBXBSXOGVGRR-UHFFFAOYSA-N 0 0 425.894 4.297 50 0 IIAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCCN(CCc4ccccc4)CC3)s2)cs1 ZINC000006156826 556078660 /nfs/dbraw/zinc/07/86/60/556078660.db2.gz BQIMYKATOPPPKE-UHFFFAOYSA-N 0 0 447.651 4.119 50 0 IIAARN CCCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 ZINC000006500916 556091959 /nfs/dbraw/zinc/09/19/59/556091959.db2.gz VXSBNGLXOPVRRZ-IOXNAGQWSA-N 0 0 439.511 4.019 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)c(C)c1 ZINC000002624523 556114817 /nfs/dbraw/zinc/11/48/17/556114817.db2.gz VFTNNZQKRPZLMZ-UHFFFAOYSA-N 0 0 429.549 4.355 50 0 IIAARN CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002682843 556118732 /nfs/dbraw/zinc/11/87/32/556118732.db2.gz QISCAHTWHPCHRW-LLVKDONJSA-N 0 0 447.613 4.204 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 ZINC000002709070 556124817 /nfs/dbraw/zinc/12/48/17/556124817.db2.gz KCETVGUZKILNHI-UHFFFAOYSA-N 0 0 427.956 4.079 50 0 IIAARN Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002711644 556125066 /nfs/dbraw/zinc/12/50/66/556125066.db2.gz GXLBUTVLXGACEA-UHFFFAOYSA-N 0 0 425.373 4.051 50 0 IIAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000002716546 556130987 /nfs/dbraw/zinc/13/09/87/556130987.db2.gz GDYRBIUZOLAQID-UHFFFAOYSA-N 0 0 430.504 4.220 50 0 IIAARN Cc1cnn(-c2ccc(-c3nc(CC(=O)Nc4cccc(C(F)(F)F)c4)no3)cc2)c1 ZINC000097377731 556132716 /nfs/dbraw/zinc/13/27/16/556132716.db2.gz WZERPCGIFVWZQY-UHFFFAOYSA-N 0 0 427.386 4.431 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1 ZINC000002725018 556133657 /nfs/dbraw/zinc/13/36/57/556133657.db2.gz PLNYEFNSIQGPQN-PMERELPUSA-N 0 0 427.501 4.205 50 0 IIAARN CC[C@H](C)OC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000002731555 556134521 /nfs/dbraw/zinc/13/45/21/556134521.db2.gz UGQFONIARHCWGQ-HNNXBMFYSA-N 0 0 449.594 4.385 50 0 IIAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4)cc3n2)cc1C ZINC000002744194 556136409 /nfs/dbraw/zinc/13/64/09/556136409.db2.gz ANBLGISCXVYVEQ-UHFFFAOYSA-N 0 0 442.445 4.038 50 0 IIAARN COc1ccc(N2C(=S)N=NC2[C@H](C)n2nc(C(F)(F)F)cc2C2CC2)c(OC)c1 ZINC000002792599 556144344 /nfs/dbraw/zinc/14/43/44/556144344.db2.gz RZFONRQNNHHUPH-JTQLQIEISA-N 0 0 439.463 4.275 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)cc1 ZINC000002908584 556149788 /nfs/dbraw/zinc/14/97/88/556149788.db2.gz MDDCWBWBNWHTDT-UHFFFAOYSA-N 0 0 435.574 4.223 50 0 IIAARN CCc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 ZINC000002937318 556150072 /nfs/dbraw/zinc/15/00/72/556150072.db2.gz RFWVXQMTNHLELK-QFIPXVFZSA-N 0 0 444.487 4.091 50 0 IIAARN CCOCCCn1c(SCC(=O)Nc2ccccc2CC)nc2ccccc2c1=O ZINC000002972230 556152376 /nfs/dbraw/zinc/15/23/76/556152376.db2.gz RDCKMCIRYZJDGT-UHFFFAOYSA-N 0 0 425.554 4.116 50 0 IIAARN Cc1sc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)nc1-c1ccccc1 ZINC000008384343 556159961 /nfs/dbraw/zinc/15/99/61/556159961.db2.gz XSHSXAQWHCINPH-IBGZPJMESA-N 0 0 434.517 4.206 50 0 IIAARN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC ZINC000008395972 556163040 /nfs/dbraw/zinc/16/30/40/556163040.db2.gz BYSLMYCIIZISHR-BTAWCLGRSA-N 0 0 427.906 4.125 50 0 IIAARN Cc1nc2nc(SCC(=O)NC3CCCC3)nn2c(C)c1Cc1ccccc1Cl ZINC000003042185 556166534 /nfs/dbraw/zinc/16/65/34/556166534.db2.gz FZUCYSKHZGAFJJ-UHFFFAOYSA-N 0 0 429.977 4.136 50 0 IIAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008432882 556172173 /nfs/dbraw/zinc/17/21/73/556172173.db2.gz RKJQZIBUGYMFGJ-UHFFFAOYSA-N 0 0 438.615 4.387 50 0 IIAARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(C(C)C)cc1 ZINC000008438590 556174624 /nfs/dbraw/zinc/17/46/24/556174624.db2.gz MPPJUUNAEDUANC-JTKRFKOTSA-N 0 0 446.584 4.248 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCSc1ccccc1)OCc1ccccc1 ZINC000008439745 556175771 /nfs/dbraw/zinc/17/57/71/556175771.db2.gz ABCMQTGVZXQMGX-QHCPKHFHSA-N 0 0 434.561 4.433 50 0 IIAARN CN1c2ccccc2C2(C1=O)c1c(=O)oc3ccccc3c1Oc1c3ccccc3oc(=O)c12 ZINC000008448923 556180691 /nfs/dbraw/zinc/18/06/91/556180691.db2.gz DGVHLNJZBMYUCR-UHFFFAOYSA-N 0 0 449.418 4.316 50 0 IIAARN O=C(OCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccco1 ZINC000008451544 556182283 /nfs/dbraw/zinc/18/22/83/556182283.db2.gz MDXZUQWTVDXDBF-UHFFFAOYSA-N 0 0 429.222 4.301 50 0 IIAARN COc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000008594892 556189847 /nfs/dbraw/zinc/18/98/47/556189847.db2.gz HKEXNABIOJOVMU-XMMPIXPASA-N 0 0 434.492 4.314 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCc1ccccc1Cl)nnc2C ZINC000008594852 556189905 /nfs/dbraw/zinc/18/99/05/556189905.db2.gz POGCCSRIJIVQCA-UHFFFAOYSA-N 0 0 437.956 4.494 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)c1 ZINC000008594950 556190243 /nfs/dbraw/zinc/19/02/43/556190243.db2.gz QQURTPQMTGVGRA-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN COc1ccc(CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599887 556191019 /nfs/dbraw/zinc/19/10/19/556191019.db2.gz VWLACYIGFFDLES-HSZRJFAPSA-N 0 0 443.503 4.104 50 0 IIAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC ZINC000008612893 556191932 /nfs/dbraw/zinc/19/19/32/556191932.db2.gz NUIVULBAKHFVEG-UHFFFAOYSA-N 0 0 435.476 4.341 50 0 biogenic IIAARN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2ccccc12 ZINC000008691846 556200521 /nfs/dbraw/zinc/20/05/21/556200521.db2.gz IUZGJGHKHXSOMN-UHFFFAOYSA-N 0 0 432.457 4.285 50 0 IIAARN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c2ccccc12 ZINC000008715479 556202109 /nfs/dbraw/zinc/20/21/09/556202109.db2.gz BWNGYRVJDMEASX-UHFFFAOYSA-N 0 0 446.484 4.309 50 0 IIAARN CCOC(=O)c1ccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000008721017 556202675 /nfs/dbraw/zinc/20/26/75/556202675.db2.gz JVXCKJLNCAQSNA-HKWRFOASSA-N 0 0 437.455 4.055 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O ZINC000008721815 556203039 /nfs/dbraw/zinc/20/30/39/556203039.db2.gz DMEWZMBHOAGXLE-UHFFFAOYSA-N 0 0 430.460 4.364 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC(=O)NC(C)C ZINC000008744704 556208481 /nfs/dbraw/zinc/20/84/81/556208481.db2.gz MQMGFFAADWHXJB-UHFFFAOYSA-N 0 0 449.507 4.022 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1nccn1-c1cccc(F)c1 ZINC000008746304 556209757 /nfs/dbraw/zinc/20/97/57/556209757.db2.gz RKACUSFOXIICBM-UHFFFAOYSA-N 0 0 435.528 4.007 50 0 IIAARN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000008816349 556217723 /nfs/dbraw/zinc/21/77/23/556217723.db2.gz HIEKGKPGMRBRCC-SYZQJQIISA-N 0 0 426.469 4.287 50 0 IIAARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O ZINC000008875078 556230270 /nfs/dbraw/zinc/23/02/70/556230270.db2.gz MDUDOVJZTJNOCG-UHFFFAOYSA-N 0 0 444.281 4.022 50 0 IIAARN COc1ccccc1C(=O)C[C@@]1(O)c2cc(Cl)ccc2N(CCc2ccccc2)C1=O ZINC000008923067 556233787 /nfs/dbraw/zinc/23/37/87/556233787.db2.gz ZUMUPQQCRQTQDM-RUZDIDTESA-N 0 0 435.907 4.399 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C=Cc3ccccc3)s2)cc1 ZINC000008969556 556237115 /nfs/dbraw/zinc/23/71/15/556237115.db2.gz VFNHGZPODMUBNP-KPKJPENVSA-N 0 0 438.534 4.123 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)C1CCCCC1)n2C ZINC000008972862 556237584 /nfs/dbraw/zinc/23/75/84/556237584.db2.gz KWZPXLOBTQAGNP-UHFFFAOYSA-N 0 0 434.540 4.073 50 0 IIAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000009013837 556240979 /nfs/dbraw/zinc/24/09/79/556240979.db2.gz QLWSTAMLHJJPLT-UHFFFAOYSA-N 0 0 432.958 4.494 50 0 IIAARN CC(C)CCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000009067267 556244851 /nfs/dbraw/zinc/24/48/51/556244851.db2.gz OJATVTJDPVKGII-VSDWSMLSSA-N 0 0 444.553 4.413 50 0 biogenic IIAARN CCCCN1c2ccc(Br)cc2[C@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000009128928 556248422 /nfs/dbraw/zinc/24/84/22/556248422.db2.gz UXHRCPGZFYLCTF-HTAPYJJXSA-N 0 0 428.326 4.229 50 0 IIAARN Ic1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000009186779 556250855 /nfs/dbraw/zinc/25/08/55/556250855.db2.gz MUHDXRAJRJETPF-UHFFFAOYSA-N 0 0 427.249 4.223 50 0 IIAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 ZINC000009194035 556254389 /nfs/dbraw/zinc/25/43/89/556254389.db2.gz AFVJMYASADAVLS-UHFFFAOYSA-N 0 0 433.584 4.009 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197309 556255359 /nfs/dbraw/zinc/25/53/59/556255359.db2.gz NQMKSNIPKNTQCL-OALUTQOASA-N 0 0 443.960 4.209 50 0 IIAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009227175 556261034 /nfs/dbraw/zinc/26/10/34/556261034.db2.gz ZBNQJRUKXGEGMX-GOSISDBHSA-N 0 0 430.932 4.355 50 0 IIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3OC)c2c1 ZINC000009228311 556261054 /nfs/dbraw/zinc/26/10/54/556261054.db2.gz KONZGDLSMPMBEC-UHFFFAOYSA-N 0 0 443.503 4.270 50 0 IIAARN O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1)N1CCCCC1 ZINC000009236400 556263742 /nfs/dbraw/zinc/26/37/42/556263742.db2.gz NTUHHLHWUFIDMJ-OALUTQOASA-N 0 0 439.972 4.370 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000009238574 556264675 /nfs/dbraw/zinc/26/46/75/556264675.db2.gz PXPLTAIQBHIACA-OALUTQOASA-N 0 0 443.960 4.263 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000009238557 556264717 /nfs/dbraw/zinc/26/47/17/556264717.db2.gz APPSRKCJERFABO-MOPGFXCFSA-N 0 0 443.960 4.263 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239168 556265592 /nfs/dbraw/zinc/26/55/92/556265592.db2.gz ISIDTWMTQMWPBC-MOPGFXCFSA-N 0 0 443.960 4.209 50 0 IIAARN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000009252368 556267390 /nfs/dbraw/zinc/26/73/90/556267390.db2.gz QKZOAPSBXCRESO-AWEZNQCLSA-N 0 0 429.611 4.433 50 0 IIAARN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccc(Cl)cc1 ZINC000009287506 556272184 /nfs/dbraw/zinc/27/21/84/556272184.db2.gz WJNDNZPJWDFUBL-HSZRJFAPSA-N 0 0 447.970 4.488 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Br)cn1 ZINC000009288361 556272696 /nfs/dbraw/zinc/27/26/96/556272696.db2.gz PKWQVZOIMYDSGM-UHFFFAOYSA-N 0 0 425.695 4.278 50 0 IIAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(CC)cc2)cc1OC ZINC000009291172 556274321 /nfs/dbraw/zinc/27/43/21/556274321.db2.gz YTNAXZWTBGATOT-UHFFFAOYSA-N 0 0 443.569 4.278 50 0 IIAARN COc1ccc(Cc2nnc(NC(=O)c3ccccc3Br)s2)cc1OC ZINC000009307113 556277215 /nfs/dbraw/zinc/27/72/15/556277215.db2.gz SNOMDPRKFMYETE-UHFFFAOYSA-N 0 0 434.315 4.161 50 0 IIAARN COc1ccccc1/C=C/[C@@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2S[C@H](C)C(=O)N21 ZINC000013689702 556278945 /nfs/dbraw/zinc/27/89/45/556278945.db2.gz RAGHRWBEIDMDBK-BFMLKRJCSA-N 0 0 448.544 4.428 50 0 IIAARN CCOc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OCC ZINC000013690754 556280031 /nfs/dbraw/zinc/28/00/31/556280031.db2.gz UUFXGGBBGMLHDH-UHFFFAOYSA-N 0 0 435.524 4.097 50 0 IIAARN CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000009359321 556285480 /nfs/dbraw/zinc/28/54/80/556285480.db2.gz APDVGRBZNXOVEU-FIKGOQFSSA-N 0 0 438.421 4.227 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1C[C@@H](c1ccco1)N1CCCC1 ZINC000009418908 556289145 /nfs/dbraw/zinc/28/91/45/556289145.db2.gz NTSXTJZIJLFBGY-CVDCTZTESA-N 0 0 441.487 4.163 50 0 IIAARN COCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc3c2C1 ZINC000013723913 556291799 /nfs/dbraw/zinc/29/17/99/556291799.db2.gz PMXYZLKLKVRTKZ-UHFFFAOYSA-N 0 0 435.398 4.286 50 0 IIAARN COc1ccc(-c2nc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)cs2)cc1OC ZINC000013733629 556296839 /nfs/dbraw/zinc/29/68/39/556296839.db2.gz YLGISUBWYHHRHH-UHFFFAOYSA-N 0 0 444.509 4.034 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000009574015 556300098 /nfs/dbraw/zinc/30/00/98/556300098.db2.gz OJTLHYQSYPXIEN-UHFFFAOYSA-N 0 0 448.321 4.062 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000009573885 556300212 /nfs/dbraw/zinc/30/02/12/556300212.db2.gz YFCZFAYRQQCPGO-UHFFFAOYSA-N 0 0 433.581 4.003 50 0 IIAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013758979 556301462 /nfs/dbraw/zinc/30/14/62/556301462.db2.gz PNLDAACTMMOHLJ-MOPGFXCFSA-N 0 0 433.443 4.417 50 0 IIAARN CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009601425 556302451 /nfs/dbraw/zinc/30/24/51/556302451.db2.gz RQCNVDFMUHOHNL-DEOSSOPVSA-N 0 0 448.563 4.230 50 0 IIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)NCc1ccccc1 ZINC000032741814 556303615 /nfs/dbraw/zinc/30/36/15/556303615.db2.gz AVBFBUCPULRKLT-UHFFFAOYSA-N 0 0 443.532 4.476 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000013770576 556305311 /nfs/dbraw/zinc/30/53/11/556305311.db2.gz LGLDVSSHEMQHGF-GAJHUEQPSA-N 0 0 449.503 4.151 50 0 IIAARN CC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)c1 ZINC000009720836 556307538 /nfs/dbraw/zinc/30/75/38/556307538.db2.gz GRIHLDVOCZCCSC-UHFFFAOYSA-N 0 0 432.432 4.042 50 0 biogenic IIAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000013779068 556308259 /nfs/dbraw/zinc/30/82/59/556308259.db2.gz IRFGYOQMQZJKTO-WCIQWLHISA-N 0 0 427.287 4.098 50 0 IIAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013786405 556309075 /nfs/dbraw/zinc/30/90/75/556309075.db2.gz ZSKPXAODLBDAGG-YKSBVNFPSA-N 0 0 428.444 4.444 50 0 IIAARN CCc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1 ZINC000009830278 556310417 /nfs/dbraw/zinc/31/04/17/556310417.db2.gz AWXMQLOLSSATCQ-UHFFFAOYSA-N 0 0 430.533 4.133 50 0 IIAARN Cc1nc2sc3c(nc(NN)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013811629 556313167 /nfs/dbraw/zinc/31/31/67/556313167.db2.gz FQZQJASQQQWAGV-UHFFFAOYSA-N 0 0 441.944 4.094 50 0 IIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(I)cc2)cc1 ZINC000004460704 556315867 /nfs/dbraw/zinc/31/58/67/556315867.db2.gz QVSQOCZYECXOIQ-UHFFFAOYSA-N 0 0 427.249 4.472 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccs1)Nc1ccc(F)cc1 ZINC000009906762 556315932 /nfs/dbraw/zinc/31/59/32/556315932.db2.gz NRDGZCMZEZERIJ-IBGZPJMESA-N 0 0 441.459 4.393 50 0 IIAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933933 556317331 /nfs/dbraw/zinc/31/73/31/556317331.db2.gz KDMGSNBMMXHJCR-OAQYLSRUSA-N 0 0 439.487 4.333 50 0 IIAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000009933968 556317613 /nfs/dbraw/zinc/31/76/13/556317613.db2.gz SPIRSNPAIOSOEW-HXUWFJFHSA-N 0 0 434.883 4.101 50 0 IIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc1 ZINC000009934029 556317632 /nfs/dbraw/zinc/31/76/32/556317632.db2.gz FDFYBLJSCAIDEE-OAQYLSRUSA-N 0 0 439.512 4.058 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000009971416 556319566 /nfs/dbraw/zinc/31/95/66/556319566.db2.gz KPNIDDZVPJOCLK-UHFFFAOYSA-N 0 0 440.590 4.379 50 0 IIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000032753915 556323148 /nfs/dbraw/zinc/32/31/48/556323148.db2.gz KVNUMBUUHCYTHR-QGZVFWFLSA-N 0 0 426.538 4.441 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754196 556323482 /nfs/dbraw/zinc/32/34/82/556323482.db2.gz KGZXYBDNYOISLV-STQMWFEESA-N 0 0 430.353 4.384 50 0 IIAARN COc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2OC)c1 ZINC000013881258 556326357 /nfs/dbraw/zinc/32/63/57/556326357.db2.gz AJASLMQOUXBXAB-DEDYPNTBSA-N 0 0 429.428 4.268 50 0 IIAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1=O ZINC000010462107 556335600 /nfs/dbraw/zinc/33/56/00/556335600.db2.gz GKLMWDZVRAUXQB-QGZVFWFLSA-N 0 0 427.932 4.488 50 0 IIAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032774456 556336535 /nfs/dbraw/zinc/33/65/35/556336535.db2.gz ZTIXWNMYVFQNHH-CQSZACIVSA-N 0 0 435.509 4.039 50 0 IIAARN CCc1c(C)sc2nc(SCc3nnsc3Cl)n(C[C@H]3CCCO3)c(=O)c12 ZINC000032776115 556336982 /nfs/dbraw/zinc/33/69/82/556336982.db2.gz VQILIIBMEOCDMD-SNVBAGLBSA-N 0 0 443.019 4.305 50 0 IIAARN CCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1Cl ZINC000013941657 556338587 /nfs/dbraw/zinc/33/85/87/556338587.db2.gz BFHCHBWFPOAKGI-UHFFFAOYSA-N 0 0 426.252 4.218 50 0 IIAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccccc1Br ZINC000013944261 556341411 /nfs/dbraw/zinc/34/14/11/556341411.db2.gz RJLSUPDLJYZCHE-GFCCVEGCSA-N 0 0 443.326 4.073 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc(I)cc2)ccc1Br ZINC000011565482 556342021 /nfs/dbraw/zinc/34/20/21/556342021.db2.gz CHYFUQQECNOBED-UHFFFAOYSA-N 0 0 446.082 4.380 50 0 IIAARN COc1ccc(OC)c(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000011661032 556342728 /nfs/dbraw/zinc/34/27/28/556342728.db2.gz HREOERVJOYACMR-NRFANRHFSA-N 0 0 437.515 4.401 50 0 IIAARN CC(C)S(=O)(=O)c1ncc(CN2CCC[C@@H]2c2nccs2)n1Cc1ccccc1F ZINC000011661750 556343642 /nfs/dbraw/zinc/34/36/42/556343642.db2.gz QNWBOXFYLPRILE-LJQANCHMSA-N 0 0 448.589 4.046 50 0 IIAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)nc2c1 ZINC000011663430 556344326 /nfs/dbraw/zinc/34/43/26/556344326.db2.gz YQPKOAUMWJATPE-QGZVFWFLSA-N 0 0 446.551 4.142 50 0 IIAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000011663579 556344713 /nfs/dbraw/zinc/34/47/13/556344713.db2.gz OPGMAAKXJDEGRI-QFIPXVFZSA-N 0 0 432.503 4.294 50 0 IIAARN CN(C)c1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)cc1 ZINC000013956981 556345210 /nfs/dbraw/zinc/34/52/10/556345210.db2.gz RNVLFWWAAIUPJV-UHFFFAOYSA-N 0 0 430.331 4.260 50 0 IIAARN CCCCc1nc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664845 556345675 /nfs/dbraw/zinc/34/56/75/556345675.db2.gz WLORZLFPILEHQQ-SFHVURJKSA-N 0 0 429.008 4.466 50 0 IIAARN CC(C)CN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)Nc1cccc2ccccc21 ZINC000013959525 556346408 /nfs/dbraw/zinc/34/64/08/556346408.db2.gz KNMCQUOVDPTWNF-SRZZPIQSSA-N 0 0 447.564 4.140 50 0 IIAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1n[nH]cc1Br ZINC000013960130 556347224 /nfs/dbraw/zinc/34/72/24/556347224.db2.gz RJUYERDNCWRXLA-UHFFFAOYSA-N 0 0 442.239 4.305 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000032787585 556350347 /nfs/dbraw/zinc/35/03/47/556350347.db2.gz SOGIEMMOIALQIB-UHFFFAOYSA-N 0 0 441.890 4.495 50 0 IIAARN c1ccn2c(c1)nnc2CCNc1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000014019385 556356311 /nfs/dbraw/zinc/35/63/11/556356311.db2.gz FBCPFKZRMOOTGX-UHFFFAOYSA-N 0 0 447.612 4.253 50 0 IIAARN Cc1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nn1-c1ccc(Cl)cc1 ZINC000014068706 556359942 /nfs/dbraw/zinc/35/99/42/556359942.db2.gz MHONMXYBSWJYTH-LJQANCHMSA-N 0 0 438.915 4.368 50 0 IIAARN Cc1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nn1-c1ccc(Cl)cc1 ZINC000014068709 556360058 /nfs/dbraw/zinc/36/00/58/556360058.db2.gz MHONMXYBSWJYTH-IBGZPJMESA-N 0 0 438.915 4.368 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000011820430 556362501 /nfs/dbraw/zinc/36/25/01/556362501.db2.gz VCAFVNINAVEQQW-CQSZACIVSA-N 0 0 430.936 4.220 50 0 IIAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032796928 556362848 /nfs/dbraw/zinc/36/28/48/556362848.db2.gz KPJQLWDIVCXDGV-UHFFFAOYSA-N 0 0 446.256 4.314 50 0 IIAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014093421 556366169 /nfs/dbraw/zinc/36/61/69/556366169.db2.gz OMXIIKQEHSHWGR-JOCHJYFZSA-N 0 0 445.416 4.493 50 0 IIAARN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000014095886 556367927 /nfs/dbraw/zinc/36/79/27/556367927.db2.gz QGEUEOOZIBTGHG-UHFFFAOYSA-N 0 0 445.592 4.320 50 0 IIAARN O=C(CNC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000014112838 556370176 /nfs/dbraw/zinc/37/01/76/556370176.db2.gz LTTZWEAQNBNSHO-UHFFFAOYSA-N 0 0 441.409 4.326 50 0 IIAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000014119024 556371624 /nfs/dbraw/zinc/37/16/24/556371624.db2.gz YLRQXFBEYXBZHW-OAQYLSRUSA-N 0 0 438.911 4.337 50 0 IIAARN COc1ccccc1NC(=O)/C(=C\c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1 ZINC000032575039 556373939 /nfs/dbraw/zinc/37/39/39/556373939.db2.gz OIINBRKHKZVPGG-HMMYKYKNSA-N 0 0 432.476 4.122 50 0 biogenic IIAARN O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1cccc(N2CCCC2=O)c1 ZINC000011913635 556376175 /nfs/dbraw/zinc/37/61/75/556376175.db2.gz HKIDOFBQVWQZAZ-NRFANRHFSA-N 0 0 447.922 4.262 50 0 IIAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000011935791 556378287 /nfs/dbraw/zinc/37/82/87/556378287.db2.gz UGBHAOAPQBJBNI-OAQYLSRUSA-N 0 0 431.945 4.077 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CSc3ccccn3)C2)c(C)c1 ZINC000011937267 556379039 /nfs/dbraw/zinc/37/90/39/556379039.db2.gz PEMHMBJVVVAZCV-GOSISDBHSA-N 0 0 427.570 4.148 50 0 IIAARN COc1ccc(CNc2nnc(SCC(=O)c3ccc4c(c3)OCCCO4)s2)cc1 ZINC000014166086 556379805 /nfs/dbraw/zinc/37/98/05/556379805.db2.gz FRMMQNZORQOZIE-UHFFFAOYSA-N 0 0 443.550 4.295 50 0 IIAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1 ZINC000014168281 556380500 /nfs/dbraw/zinc/38/05/00/556380500.db2.gz RGOQFKQGXSFLAP-UHFFFAOYSA-N 0 0 431.536 4.087 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(-n3cncn3)cc1)CC2 ZINC000014170611 556381591 /nfs/dbraw/zinc/38/15/91/556381591.db2.gz DHHOLEBFZCMNNI-VWLOTQADSA-N 0 0 440.503 4.072 50 0 IIAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1OCCc2ccccc21 ZINC000011965730 556381921 /nfs/dbraw/zinc/38/19/21/556381921.db2.gz QCXBMFQFPLBOQA-LEAFIULHSA-N 0 0 442.559 4.242 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)s2)cs1 ZINC000014183789 556383821 /nfs/dbraw/zinc/38/38/21/556383821.db2.gz XXCXBBJPNPAMHI-QGZVFWFLSA-N 0 0 425.579 4.153 50 0 IIAARN CN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1cnn(-c2ccccc2)c1 ZINC000014184994 556385179 /nfs/dbraw/zinc/38/51/79/556385179.db2.gz JODRTNBAAKLLLN-FQEVSTJZSA-N 0 0 445.592 4.320 50 0 IIAARN O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1Cl ZINC000014186793 556386456 /nfs/dbraw/zinc/38/64/56/556386456.db2.gz XHQLIHRSLWVUFK-UHFFFAOYSA-N 0 0 432.307 4.136 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000012023645 556387440 /nfs/dbraw/zinc/38/74/40/556387440.db2.gz JQSVSBASVXCQDJ-UHFFFAOYSA-N 0 0 434.561 4.404 50 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556416475 /nfs/dbraw/zinc/41/64/75/556416475.db2.gz PBYAQOBAMVTDKT-GOSISDBHSA-N 0 0 440.544 4.009 50 0 IIAARN CN(Cc1ccc(Br)cc1)c1cc(C(=O)N2CCOCC2)c2ccccc2n1 ZINC000032837520 556418745 /nfs/dbraw/zinc/41/87/45/556418745.db2.gz VFYAIIPGZNFTBD-UHFFFAOYSA-N 0 0 440.341 4.106 50 0 IIAARN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012971331 556418839 /nfs/dbraw/zinc/41/88/39/556418839.db2.gz JXRYXKAXGKPDDD-UHFFFAOYSA-N 0 0 432.870 4.497 50 0 IIAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(=O)NCc3ccco3)n[nH]2)cc1 ZINC000012987629 556427657 /nfs/dbraw/zinc/42/76/57/556427657.db2.gz KZZDIOXLDYWQRE-UHFFFAOYSA-N 0 0 447.520 4.034 50 0 IIAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)Cc1csc(C)n1 ZINC000032842547 556427860 /nfs/dbraw/zinc/42/78/60/556427860.db2.gz DXMRLEINFYTSJQ-UHFFFAOYSA-N 0 0 430.507 4.267 50 0 IIAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1OC[C@@H]1CCCO1 ZINC000032843213 556428390 /nfs/dbraw/zinc/42/83/90/556428390.db2.gz TYTHNLMVNVVSPJ-ZDUSSCGKSA-N 0 0 434.286 4.030 50 0 IIAARN 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4.351 50 0 IIAARN CCOc1ccc(-c2nc(C)c(C(=O)N(CCC(N)=O)c3ccccc3OC)s2)cc1 ZINC000072275489 556455305 /nfs/dbraw/zinc/45/53/05/556455305.db2.gz FPUQKQVTFKHQGA-UHFFFAOYSA-N 0 0 439.537 4.048 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3c(=O)cc(C)n(Cc4cccs4)c3C3CC3)CC2)cc1 ZINC000014886189 556455566 /nfs/dbraw/zinc/45/55/66/556455566.db2.gz JRBUBEMUWBOQPN-UHFFFAOYSA-N 0 0 447.604 4.415 50 0 IIAARN CC[C@H](NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(Cl)cc1 ZINC000014900293 556457033 /nfs/dbraw/zinc/45/70/33/556457033.db2.gz BKFYGLXDIXRESV-HNNXBMFYSA-N 0 0 425.842 4.223 50 0 IIAARN Cc1ccc(-c2nnc(CCC(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)o2)cc1 ZINC000028684848 556458787 /nfs/dbraw/zinc/45/87/87/556458787.db2.gz UWSUZNLWOVRCIH-MRXNPFEDSA-N 0 0 425.558 4.305 50 0 IIAARN O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000013098426 556459187 /nfs/dbraw/zinc/45/91/87/556459187.db2.gz PODZCXGYIZRPPN-UHFFFAOYSA-N 0 0 428.504 4.138 50 0 IIAARN CN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845524 556462449 /nfs/dbraw/zinc/46/24/49/556462449.db2.gz UPSQDJWWPVESPU-UHFFFAOYSA-N 0 0 428.492 4.176 50 0 IIAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000013110038 556463941 /nfs/dbraw/zinc/46/39/41/556463941.db2.gz BLGCNAIIEJKDIC-CYBMUJFWSA-N 0 0 434.970 4.373 50 0 IIAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000013112691 556465494 /nfs/dbraw/zinc/46/54/94/556465494.db2.gz ZCAAMZXWRRQGOO-UHFFFAOYSA-N 0 0 441.487 4.266 50 0 IIAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3cccc(C(F)(F)F)c3)cs1)CS2 ZINC000029013227 556465607 /nfs/dbraw/zinc/46/56/07/556465607.db2.gz GOWZESHLDGKSGM-DYVFJYSZSA-N 0 0 427.473 4.221 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cs2)cc1OC ZINC000029115323 556467482 /nfs/dbraw/zinc/46/74/82/556467482.db2.gz GUCOGUZVUFHDFZ-HXUWFJFHSA-N 0 0 428.485 4.180 50 0 IIAARN NC(=O)c1ccsc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000013117374 556469811 /nfs/dbraw/zinc/46/98/11/556469811.db2.gz DXQALQKINOZWRC-UHFFFAOYSA-N 0 0 426.548 4.250 50 0 IIAARN CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1C1CC1 ZINC000013119937 556471941 /nfs/dbraw/zinc/47/19/41/556471941.db2.gz ZXIWWGYBLKAYCE-OAHLLOKOSA-N 0 0 427.555 4.300 50 0 IIAARN COC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000029328770 556472610 /nfs/dbraw/zinc/47/26/10/556472610.db2.gz FEMZKJITIFGOOU-MGPUTAFESA-N 0 0 426.904 4.190 50 0 IIAARN O=C(NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1)[C@@H]1CCCO1 ZINC000014986570 556472720 /nfs/dbraw/zinc/47/27/20/556472720.db2.gz YVVLEEYDIOGTHL-IBGZPJMESA-N 0 0 442.972 4.067 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccccn1 ZINC000013124777 556475184 /nfs/dbraw/zinc/47/51/84/556475184.db2.gz DHBWJZALVDMLAJ-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2ccccc2F)CC1 ZINC000013128085 556477081 /nfs/dbraw/zinc/47/70/81/556477081.db2.gz SFIZZIBPOPMSJJ-UHFFFAOYSA-N 0 0 441.510 4.031 50 0 IIAARN O=C(CCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc(Cl)s1 ZINC000013128081 556477188 /nfs/dbraw/zinc/47/71/88/556477188.db2.gz HUUGOPHZIHKEMU-UHFFFAOYSA-N 0 0 433.986 4.319 50 0 IIAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000072286258 556478296 /nfs/dbraw/zinc/47/82/96/556478296.db2.gz PJYKGAVYCGAOTP-OAQYLSRUSA-N 0 0 429.948 4.080 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cn3c4ccccc4oc3=S)CC2)c1C ZINC000013131457 556480370 /nfs/dbraw/zinc/48/03/70/556480370.db2.gz CXLPHIKCAMHKBE-UHFFFAOYSA-N 0 0 445.610 4.161 50 0 IIAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3nc4c(s3)CCCC4)[nH]c(=O)c2c1C ZINC000013134766 556482616 /nfs/dbraw/zinc/48/26/16/556482616.db2.gz UWHBXPPFLRPJIE-LLVKDONJSA-N 0 0 434.612 4.197 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000013136550 556483675 /nfs/dbraw/zinc/48/36/75/556483675.db2.gz LJPGNXOIFNWKID-BXTJHSDWSA-N 0 0 431.964 4.299 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3C2=O)c1 ZINC000013141664 556486946 /nfs/dbraw/zinc/48/69/46/556486946.db2.gz OCRQUZNLHOKGDS-HDICACEKSA-N 0 0 448.519 4.050 50 0 IIAARN CCOC(=O)Cc1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccco1 ZINC000029987864 556488226 /nfs/dbraw/zinc/48/82/26/556488226.db2.gz YHYLBZYXCLZISP-UHFFFAOYSA-N 0 0 430.511 4.034 50 0 IIAARN Cc1nc(CN2CCN(Cn3nc(-c4ccccc4F)n(C4CC4)c3=S)CC2)cs1 ZINC000030003026 556488843 /nfs/dbraw/zinc/48/88/43/556488843.db2.gz YNUBHAKFNLEYLW-UHFFFAOYSA-N 0 0 444.605 4.095 50 0 IIAARN Cc1cc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)nc(C(C)C)n1 ZINC000015032584 556489024 /nfs/dbraw/zinc/48/90/24/556489024.db2.gz ZZKPOVZQCZEQNN-UHFFFAOYSA-N 0 0 429.568 4.336 50 0 IIAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000032876549 556489177 /nfs/dbraw/zinc/48/91/77/556489177.db2.gz OWDGXOWWUYOJPM-OAQYLSRUSA-N 0 0 442.544 4.067 50 0 IIAARN O=C(OCc1c(Cl)cccc1Cl)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000013147977 556489337 /nfs/dbraw/zinc/48/93/37/556489337.db2.gz HRPMGNPXCJHFCF-JOCHJYFZSA-N 0 0 445.302 4.178 50 0 IIAARN O=C1Nc2ccccc2C(=O)[C@@H]1C(c1ccc(Cl)cc1)[C@@H]1C(=O)Nc2ccccc2C1=O ZINC000013148097 556489371 /nfs/dbraw/zinc/48/93/71/556489371.db2.gz VNQHLJUBVKUPJC-SFTDATJTSA-N 0 0 444.874 4.326 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1)c1cccs1 ZINC000013150123 556492075 /nfs/dbraw/zinc/49/20/75/556492075.db2.gz SAIAYEKXJQOHOM-MRXNPFEDSA-N 0 0 425.510 4.477 50 0 IIAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000015069445 556494618 /nfs/dbraw/zinc/49/46/18/556494618.db2.gz OCEKGUKOGRRLOC-SANMLTNESA-N 0 0 431.536 4.495 50 0 IIAARN Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc(N3CCOCC3)cc2)c1C ZINC000015073134 556497305 /nfs/dbraw/zinc/49/73/05/556497305.db2.gz VNTFTMOQDDDETP-HSZRJFAPSA-N 0 0 430.552 4.133 50 0 IIAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000015077357 556499556 /nfs/dbraw/zinc/49/95/56/556499556.db2.gz WYSWHNVLVXKFGB-UHFFFAOYSA-N 0 0 438.524 4.283 50 0 IIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3ccc(O)cc3)sc2c1 ZINC000015084876 556501973 /nfs/dbraw/zinc/50/19/73/556501973.db2.gz WGRAXYLXDOZRBO-LJQANCHMSA-N 0 0 438.534 4.279 50 0 IIAARN C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000013301701 556502062 /nfs/dbraw/zinc/50/20/62/556502062.db2.gz PNTWXEIQXBRCPS-KVMGZEHZSA-N 0 0 426.465 4.393 50 0 biogenic IIAARN Cc1nc2sc3c(c2c(N2CCC(C(=O)Nc4ccc5c(c4)OCO5)CC2)n1)CCC3 ZINC000015117528 556504913 /nfs/dbraw/zinc/50/49/13/556504913.db2.gz CEPDYGMWQNYALX-UHFFFAOYSA-N 0 0 436.537 4.072 50 0 IIAARN CC[C@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000032880034 556508134 /nfs/dbraw/zinc/50/81/34/556508134.db2.gz IEMNELFZKAKZOG-KRWDZBQOSA-N 0 0 438.524 4.185 50 0 IIAARN Cc1ccc(NC[C@@H](O)COc2ccc(OC[C@@H](O)CNc3ccc(C)cc3)cc2)cc1 ZINC000013510003 556510332 /nfs/dbraw/zinc/51/03/32/556510332.db2.gz FBXKQZDIIYRQHD-PSWAGMNNSA-N 0 0 436.552 4.007 50 0 IIAARN O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)N1CCSc2ccccc21 ZINC000015226615 556512471 /nfs/dbraw/zinc/51/24/71/556512471.db2.gz JYFDUMGONDCJNP-UHFFFAOYSA-N 0 0 427.453 4.293 50 0 IIAARN COc1ccc(CCN(C)C(=O)c2ccc(SCc3nc(C)no3)cc2)cc1OC ZINC000030867185 556512513 /nfs/dbraw/zinc/51/25/13/556512513.db2.gz ABBQISSZNMMCTJ-UHFFFAOYSA-N 0 0 427.526 4.002 50 0 IIAARN O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCN(Cc2cccs2)CC1 ZINC000030869549 556513270 /nfs/dbraw/zinc/51/32/70/556513270.db2.gz IZXZYYMPWKETFB-UHFFFAOYSA-N 0 0 433.002 4.024 50 0 IIAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N(Cc1ccccc1)CC(F)(F)F ZINC000015301178 556516543 /nfs/dbraw/zinc/51/65/43/556516543.db2.gz GHCDLRHSVBXEQQ-LJQANCHMSA-N 0 0 434.458 4.186 50 0 IIAARN Cc1ccc(-c2noc(COC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000032899048 556518227 /nfs/dbraw/zinc/51/82/27/556518227.db2.gz RDDNLDIZFSNGHD-QGZVFWFLSA-N 0 0 438.459 4.171 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000015312760 556518510 /nfs/dbraw/zinc/51/85/10/556518510.db2.gz YBHMCSMDGFKJOV-UHFFFAOYSA-N 0 0 442.512 4.216 50 0 IIAARN COc1ccccc1C(=O)N[C@H](C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000011074970 556519674 /nfs/dbraw/zinc/51/96/74/556519674.db2.gz CAYAQALMSRZOHE-DEOSSOPVSA-N 0 0 431.536 4.247 50 0 IIAARN Cc1ccc(-c2nc3c(c(SCC(=O)Nc4nccs4)n2)COC(C)(C)C3)cc1 ZINC000013571567 556522252 /nfs/dbraw/zinc/52/22/52/556522252.db2.gz NBCLNZLFHZYVNV-UHFFFAOYSA-N 0 0 426.567 4.491 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412734 556525374 /nfs/dbraw/zinc/52/53/74/556525374.db2.gz OHZIXCJHOOHEFN-HSZRJFAPSA-N 0 0 436.895 4.478 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cc(Cl)ccc1Cl ZINC000031817238 556526409 /nfs/dbraw/zinc/52/64/09/556526409.db2.gz JSMSKAPCWBRKRN-CQSZACIVSA-N 0 0 436.686 4.427 50 0 IIAARN CCOc1ccc(C(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1OCC ZINC000013591318 556529398 /nfs/dbraw/zinc/52/93/98/556529398.db2.gz OZJWKBIYMHLHBN-UHFFFAOYSA-N 0 0 442.825 4.129 50 0 IIAARN COC(=O)c1ccoc1COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032899384 556530738 /nfs/dbraw/zinc/53/07/38/556530738.db2.gz LEYXSBSGKGPHLP-UHFFFAOYSA-N 0 0 435.885 4.124 50 0 IIAARN CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(CCCc1ccccc1)CO3 ZINC000013592861 556530907 /nfs/dbraw/zinc/53/09/07/556530907.db2.gz ZKHVCNDWHYUAKE-UHFFFAOYSA-N 0 0 435.520 4.382 50 0 IIAARN CSc1nc2c3c(sc2c(SCC(=O)Nc2nccs2)n1)CC(C)(C)OC3 ZINC000013593205 556531219 /nfs/dbraw/zinc/53/12/19/556531219.db2.gz YWHZYBGBMAMHGU-UHFFFAOYSA-N 0 0 438.625 4.452 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CCc2nc3cc(Cl)ccc3n(CC(C)C)c2=O)cc1 ZINC000013607252 556533359 /nfs/dbraw/zinc/53/33/59/556533359.db2.gz HXXMROXCIRKFHS-UHFFFAOYSA-N 0 0 440.931 4.236 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000032900831 556535029 /nfs/dbraw/zinc/53/50/29/556535029.db2.gz PBNGLAQSEVGIGO-MRXNPFEDSA-N 0 0 428.554 4.200 50 0 IIAARN Cc1cc(C)cc(CS[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 ZINC000015590159 556536503 /nfs/dbraw/zinc/53/65/03/556536503.db2.gz UYDSPVWEHMCCOV-HNNXBMFYSA-N 0 0 441.018 4.468 50 0 IIAARN Cc1ccc(-c2noc([C@H](C)Sc3ccc(S(=O)(=O)N4CCCC4)cn3)n2)cc1F ZINC000032901635 556536738 /nfs/dbraw/zinc/53/67/38/556536738.db2.gz OCIFASNMODPHCE-AWEZNQCLSA-N 0 0 448.545 4.217 50 0 IIAARN O=C(Oc1ccc(Cl)c2cccnc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015607972 556537690 /nfs/dbraw/zinc/53/76/90/556537690.db2.gz XRJQMJRCQNNCAT-AWEZNQCLSA-N 0 0 448.903 4.034 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 ZINC000013629642 556538835 /nfs/dbraw/zinc/53/88/35/556538835.db2.gz RJWPRHKSMPWVGK-SUMWQHHRSA-N 0 0 436.390 4.406 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2cccc(Br)c2)C[C@@H]1C=C(Cl)Cl ZINC000015635983 556539359 /nfs/dbraw/zinc/53/93/59/556539359.db2.gz CNCGTYXOBKCLEY-QXKQMHMISA-N 0 0 436.129 4.114 50 0 IIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000072303322 556547808 /nfs/dbraw/zinc/54/78/08/556547808.db2.gz GAKRHKARDSCTTB-QHAWAJNXSA-N 0 0 449.938 4.201 50 0 IIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000072303634 556547842 /nfs/dbraw/zinc/54/78/42/556547842.db2.gz ZILKETFBKDCRKL-PMACEKPBSA-N 0 0 425.916 4.437 50 0 IIAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc2s1 ZINC000032959649 556549163 /nfs/dbraw/zinc/54/91/63/556549163.db2.gz LHXMWOMCFZSDIT-QGZVFWFLSA-N 0 0 436.581 4.233 50 0 IIAARN CCOc1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)C(C)C)cc1OCC ZINC000032905757 556556383 /nfs/dbraw/zinc/55/63/83/556556383.db2.gz UYHSEVUIEBEAIH-VWLOTQADSA-N 0 0 440.540 4.261 50 0 IIAARN Cc1ccc(NC(=O)CCn2cnc3onc(-c4cc(F)cc(F)c4)c3c2=O)cc1Cl ZINC000033250140 556556925 /nfs/dbraw/zinc/55/69/25/556556925.db2.gz AYIXIORLSMEQCC-UHFFFAOYSA-N 0 0 444.825 4.320 50 0 IIAARN Cc1noc([C@@H](C)Sc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)n1 ZINC000032905980 556556994 /nfs/dbraw/zinc/55/69/94/556556994.db2.gz GEZNCKCNTBMOSS-CYBMUJFWSA-N 0 0 446.492 4.040 50 0 IIAARN CCc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000015859851 556558175 /nfs/dbraw/zinc/55/81/75/556558175.db2.gz SCZJJIRKUQMNFT-UHFFFAOYSA-N 0 0 430.913 4.194 50 0 IIAARN Cc1ccc(Cn2c3cc(C)ccc3n3nc(C(=O)Nc4cccc(C)c4)nc3c2=O)cc1 ZINC000033274311 556558193 /nfs/dbraw/zinc/55/81/93/556558193.db2.gz XTZJVWZAPSGBSS-UHFFFAOYSA-N 0 0 437.503 4.270 50 0 IIAARN Cc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4)c4cc(C)ccc4n3n2)c(C)c1 ZINC000033274385 556558214 /nfs/dbraw/zinc/55/82/14/556558214.db2.gz CFTYKQPXZGRBCJ-UHFFFAOYSA-N 0 0 437.503 4.270 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C ZINC000015867716 556559397 /nfs/dbraw/zinc/55/93/97/556559397.db2.gz SGSDKCUPYQBTAL-UHFFFAOYSA-N 0 0 435.933 4.184 50 0 IIAARN COc1cc(Cl)c(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1OC ZINC000011100969 556559445 /nfs/dbraw/zinc/55/94/45/556559445.db2.gz UXFURUVJJNCECD-UHFFFAOYSA-N 0 0 431.920 4.080 50 0 IIAARN COC(=O)Cn1ncc2c1ncnc2N[C@H](CC(C)C)c1ccccc1OCC(C)C ZINC000072307350 556562306 /nfs/dbraw/zinc/56/23/06/556562306.db2.gz FCSAWSKWFMDYBN-LJQANCHMSA-N 0 0 425.533 4.233 50 0 IIAARN CCOc1ccc(Br)cc1S(=O)(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000015911024 556562889 /nfs/dbraw/zinc/56/28/89/556562889.db2.gz MDLDAMKXNRRNEB-UHFFFAOYSA-N 0 0 427.316 4.329 50 0 IIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000032907923 556563956 /nfs/dbraw/zinc/56/39/56/556563956.db2.gz VWWVXRGLFNEZNS-UHFFFAOYSA-N 0 0 433.474 4.476 50 0 IIAARN O=C(NC1CCN(C(=O)c2ccccc2SCc2cscn2)CC1)c1ccccc1 ZINC000032908430 556564810 /nfs/dbraw/zinc/56/48/10/556564810.db2.gz KTVQCOZJFWWPTR-UHFFFAOYSA-N 0 0 437.590 4.470 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000015931567 556565390 /nfs/dbraw/zinc/56/53/90/556565390.db2.gz VYBMXEVORJZDRN-JNKARSBBSA-N 0 0 449.780 4.306 50 0 IIAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000033728446 556567042 /nfs/dbraw/zinc/56/70/42/556567042.db2.gz FWJSAURLWAXSFW-UHFFFAOYSA-N 0 0 446.588 4.390 50 0 IIAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc(C)cc2)cc1OC ZINC000015971673 556569982 /nfs/dbraw/zinc/56/99/82/556569982.db2.gz PTYYAIUDXDMLPU-NVQXNPDNSA-N 0 0 442.471 4.093 50 0 IIAARN O=c1[nH]c(NNC(=S)NCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000015974021 556570288 /nfs/dbraw/zinc/57/02/88/556570288.db2.gz JTJSAVQXRJLEKB-UHFFFAOYSA-N 0 0 445.592 4.186 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cc(C)ccc2C)o1 ZINC000015996929 556572076 /nfs/dbraw/zinc/57/20/76/556572076.db2.gz UXGKJDDHNRKIMU-WMLDXEAASA-N 0 0 437.562 4.272 50 0 IIAARN O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2ccccn2)CC1 ZINC000015659151 556572123 /nfs/dbraw/zinc/57/21/23/556572123.db2.gz HYRIWUUVLRNBPQ-NYKZCTJWSA-N 0 0 447.623 4.111 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(C)nc3ccc(Br)cc32)cc1OC ZINC000032961443 556572507 /nfs/dbraw/zinc/57/25/07/556572507.db2.gz VDZPJQWGLQOSJQ-UHFFFAOYSA-N 0 0 429.314 4.295 50 0 IIAARN O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccccc1 ZINC000015745972 556572766 /nfs/dbraw/zinc/57/27/66/556572766.db2.gz FJSPOMBOKHMRJW-HSZRJFAPSA-N 0 0 446.503 4.444 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)c3ccccc32)CC1 ZINC000001194785 556574432 /nfs/dbraw/zinc/57/44/32/556574432.db2.gz WFXPVERWVLHPJN-UHFFFAOYSA-N 0 0 434.517 4.061 50 0 IIAARN CCOC(=O)c1cccnc1N(C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC000072310539 556576431 /nfs/dbraw/zinc/57/64/31/556576431.db2.gz QWWYOEACOPDCAD-UHFFFAOYSA-N 0 0 437.544 4.466 50 0 IIAARN Cc1ccc(SCCNC(=O)Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 ZINC000072311084 556577355 /nfs/dbraw/zinc/57/73/55/556577355.db2.gz JEIDIAFLWIFSOE-UHFFFAOYSA-N 0 0 436.455 4.117 50 0 IIAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016104343 556583329 /nfs/dbraw/zinc/58/33/29/556583329.db2.gz DTSAQACJHJFEMZ-UHFFFAOYSA-N 0 0 447.444 4.147 50 0 IIAARN COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)Nc2ccc(F)cc2)cc1OC ZINC000016115095 556583642 /nfs/dbraw/zinc/58/36/42/556583642.db2.gz SHVDIIWYNOMMKC-SFQUDFHCSA-N 0 0 426.469 4.314 50 0 IIAARN O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc(C(=O)N2CCCC2)n1 ZINC000072311542 556586557 /nfs/dbraw/zinc/58/65/57/556586557.db2.gz DIOPLASURRPFDE-UHFFFAOYSA-N 0 0 430.386 4.244 50 0 IIAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000016183192 556587515 /nfs/dbraw/zinc/58/75/15/556587515.db2.gz CUHVYDRRQRHGPA-GHRIWEEISA-N 0 0 425.282 4.129 50 0 IIAARN Cc1c(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cccc1C(N)=O ZINC000032913397 556598568 /nfs/dbraw/zinc/59/85/68/556598568.db2.gz URDZBYBKEYWPGK-HXUWFJFHSA-N 0 0 442.475 4.223 50 0 IIAARN COc1cc(-c2noc([C@@H](Cc3ccccc3)NC(=O)CC(C)C)n2)cc(OC)c1OC ZINC000037381743 556602305 /nfs/dbraw/zinc/60/23/05/556602305.db2.gz FAGLSZLFTNGZKI-GOSISDBHSA-N 0 0 439.512 4.209 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)O3)c1 ZINC000032984091 556603198 /nfs/dbraw/zinc/60/31/98/556603198.db2.gz HDTUWZFVAMCRCQ-FMCGGJTJSA-N 0 0 430.460 4.006 50 0 IIAARN FC(F)(F)Cn1c(SCc2c(Cl)cccc2Cl)nnc1N1CCOCC1 ZINC000060272327 556604063 /nfs/dbraw/zinc/60/40/63/556604063.db2.gz UVEWJGIXSDROBC-UHFFFAOYSA-N 0 0 427.279 4.276 50 0 IIAARN O=C(NCCCn1ccnc1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000016392082 556604485 /nfs/dbraw/zinc/60/44/85/556604485.db2.gz WZLXNIKVXFZPCX-UHFFFAOYSA-N 0 0 436.313 4.076 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000032985982 556605474 /nfs/dbraw/zinc/60/54/74/556605474.db2.gz JQDYKJFOMVPYHW-UHFFFAOYSA-N 0 0 431.565 4.389 50 0 IIAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000032986662 556606470 /nfs/dbraw/zinc/60/64/70/556606470.db2.gz SQRAJRKHRBOGEX-UHFFFAOYSA-N 0 0 448.519 4.288 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000032987050 556606940 /nfs/dbraw/zinc/60/69/40/556606940.db2.gz XQWPWZZSKHFRSL-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016448298 556608427 /nfs/dbraw/zinc/60/84/27/556608427.db2.gz XUCQGEGCQZGBNP-MRXNPFEDSA-N 0 0 445.412 4.401 50 0 IIAARN Cc1c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022970952 556610788 /nfs/dbraw/zinc/61/07/88/556610788.db2.gz SVZLQDUHLLXDBP-KRWDZBQOSA-N 0 0 432.634 4.082 50 0 IIAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2ccccc2)CC1 ZINC000016489018 556612045 /nfs/dbraw/zinc/61/20/45/556612045.db2.gz SBYHXSNFCNQDFL-UHFFFAOYSA-N 0 0 448.379 4.219 50 0 IIAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2cccc(Cl)c2)c3=O)cc1 ZINC000038487067 556612856 /nfs/dbraw/zinc/61/28/56/556612856.db2.gz COGBHVLWSDVVOE-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)cc3F)n2C)cc1 ZINC000038536795 556613774 /nfs/dbraw/zinc/61/37/74/556613774.db2.gz HVHHDXOAKZVPAH-UHFFFAOYSA-N 0 0 428.533 4.177 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O ZINC000016753520 556638454 /nfs/dbraw/zinc/63/84/54/556638454.db2.gz HSIUYULRNRSJQT-JOCHJYFZSA-N 0 0 428.444 4.038 50 0 IIAARN CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccc(F)c1 ZINC000037427739 556638477 /nfs/dbraw/zinc/63/84/77/556638477.db2.gz YXIWVRGOBUHSNC-QHCPKHFHSA-N 0 0 439.918 4.375 50 0 IIAARN CCc1nn2c(ncc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040396730 556639191 /nfs/dbraw/zinc/63/91/91/556639191.db2.gz LPXQLHNAURNXRR-UHFFFAOYSA-N 0 0 428.467 4.470 50 0 IIAARN COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414642 556640107 /nfs/dbraw/zinc/64/01/07/556640107.db2.gz ZHJWBUCGBLBXIC-OAQYLSRUSA-N 0 0 430.504 4.281 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000037575950 556643482 /nfs/dbraw/zinc/64/34/82/556643482.db2.gz CYQXBDPTQGDLDI-MRXNPFEDSA-N 0 0 430.348 4.394 50 0 IIAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713822 556643506 /nfs/dbraw/zinc/64/35/06/556643506.db2.gz ZWXXSYHASSCTSX-GOSISDBHSA-N 0 0 425.485 4.108 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000040484874 556643722 /nfs/dbraw/zinc/64/37/22/556643722.db2.gz IUPSDKNBIQBGJC-UHFFFAOYSA-N 0 0 436.471 4.158 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037555124 556644436 /nfs/dbraw/zinc/64/44/36/556644436.db2.gz IJAAHRULGIHCRL-UHFFFAOYSA-N 0 0 434.511 4.286 50 0 IIAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000037557713 556645464 /nfs/dbraw/zinc/64/54/64/556645464.db2.gz PTLHLHCRLNOXLZ-QHCPKHFHSA-N 0 0 432.520 4.273 50 0 IIAARN FC(F)(F)c1ccc(N2CCCN(Cn3nc(C4CC4)n(C4CC4)c3=S)CC2)nc1 ZINC000016875952 556647890 /nfs/dbraw/zinc/64/78/90/556647890.db2.gz DDDMOJLHJSEGHR-UHFFFAOYSA-N 0 0 438.523 4.210 50 0 IIAARN COc1ccc(-n2nnc3c2ncnc3SCc2ccc(Br)cc2)cc1 ZINC000011758692 556653444 /nfs/dbraw/zinc/65/34/44/556653444.db2.gz ASZXBRYBOQSOSA-UHFFFAOYSA-N 0 0 428.315 4.274 50 0 IIAARN O=C(NCCCc1ccco1)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 ZINC000038652840 556653709 /nfs/dbraw/zinc/65/37/09/556653709.db2.gz IIABDWRKQMXODK-UHFFFAOYSA-N 0 0 440.544 4.325 50 0 IIAARN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2s1 ZINC000033007515 556656536 /nfs/dbraw/zinc/65/65/36/556656536.db2.gz PKPHLYNUIFSJKS-UHFFFAOYSA-N 0 0 440.344 4.208 50 0 IIAARN CCOC(=O)CCC(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 ZINC000011797115 556657572 /nfs/dbraw/zinc/65/75/72/556657572.db2.gz CZWBFKISOTWCFP-UHFFFAOYSA-N 0 0 440.525 4.263 50 0 IIAARN O=C1C[C@@H](N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000100727425 556657826 /nfs/dbraw/zinc/65/78/26/556657826.db2.gz BZWRSDZIIFRPQV-JOCHJYFZSA-N 0 0 429.545 4.260 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000033011515 556659299 /nfs/dbraw/zinc/65/92/99/556659299.db2.gz SSOBJTMJZCMADD-LBPRGKRZSA-N 0 0 432.958 4.413 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000033011514 556659345 /nfs/dbraw/zinc/65/93/45/556659345.db2.gz SSOBJTMJZCMADD-GFCCVEGCSA-N 0 0 432.958 4.413 50 0 IIAARN Cc1nn(C)cc1-c1nn(-c2nc(C(F)F)cc(C3CC3)n2)c(-c2cn(C)nc2C)c1C ZINC000013643483 556660465 /nfs/dbraw/zinc/66/04/65/556660465.db2.gz SXFWDOMQSJVJKX-UHFFFAOYSA-N 0 0 438.486 4.204 50 0 IIAARN O=C(c1ccccc1OCc1nc(-c2ccccc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033012864 556662542 /nfs/dbraw/zinc/66/25/42/556662542.db2.gz ZRDPSFJACHOFKO-UHFFFAOYSA-N 0 0 440.503 4.278 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013433 556664082 /nfs/dbraw/zinc/66/40/82/556664082.db2.gz UOBKSNQBUOPSDR-UHFFFAOYSA-N 0 0 435.933 4.175 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)/C=C/c3ccccc3)cc(=O)n21 ZINC000033014367 556664707 /nfs/dbraw/zinc/66/47/07/556664707.db2.gz NVNBMMLQFVASDL-OUKQBFOZSA-N 0 0 445.548 4.416 50 0 IIAARN CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1csc(C)c1C ZINC000017100698 556665676 /nfs/dbraw/zinc/66/56/76/556665676.db2.gz NSZKIYCYMMRSSE-UHFFFAOYSA-N 0 0 436.584 4.222 50 0 IIAARN COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000017101393 556666107 /nfs/dbraw/zinc/66/61/07/556666107.db2.gz TXSSHFNFZVVDHO-CSVUYUCVSA-N 0 0 437.495 4.218 50 0 IIAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)CC2)nc3=O)cc1 ZINC000044169317 556666434 /nfs/dbraw/zinc/66/64/34/556666434.db2.gz YROLEEFIMOZSLU-UHFFFAOYSA-N 0 0 432.549 4.295 50 0 IIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000017113121 556668120 /nfs/dbraw/zinc/66/81/20/556668120.db2.gz OVZPAGUEIOAWKR-HNNXBMFYSA-N 0 0 448.335 4.399 50 0 IIAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)cc2C1=O ZINC000248130899 556668466 /nfs/dbraw/zinc/66/84/66/556668466.db2.gz WVVBFYNLPWHJRE-CEQIKUNHSA-N 0 0 448.519 4.036 50 0 IIAARN C[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017132680 556669185 /nfs/dbraw/zinc/66/91/85/556669185.db2.gz PMNFWWBABCMYHC-LLVKDONJSA-N 0 0 439.320 4.003 50 0 IIAARN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000032930418 556673970 /nfs/dbraw/zinc/67/39/70/556673970.db2.gz FFNATAUGOBROBR-UHFFFAOYSA-N 0 0 427.566 4.024 50 0 IIAARN COc1cc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc(Cl)c1OC ZINC000011968087 556677533 /nfs/dbraw/zinc/67/75/33/556677533.db2.gz KQZDOXNMHDBGRT-ZDUSSCGKSA-N 0 0 435.929 4.432 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000032933358 556677565 /nfs/dbraw/zinc/67/75/65/556677565.db2.gz XQTGWESRBNWFPN-MRXNPFEDSA-N 0 0 441.837 4.213 50 0 IIAARN COc1ncccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC000032937056 556679011 /nfs/dbraw/zinc/67/90/11/556679011.db2.gz UDUGRYPFKAXIQX-UHFFFAOYSA-N 0 0 445.479 4.106 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000012008141 556680660 /nfs/dbraw/zinc/68/06/60/556680660.db2.gz AWYVHQFPMQJQQP-UHFFFAOYSA-N 0 0 447.495 4.264 50 0 IIAARN O=C(COc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000017987236 556680959 /nfs/dbraw/zinc/68/09/59/556680959.db2.gz JPZODDCFKCFDAL-OALUTQOASA-N 0 0 442.309 4.390 50 0 IIAARN O=C(Cc1csc(COc2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033326195 556681607 /nfs/dbraw/zinc/68/16/07/556681607.db2.gz BMIBPYLZYZZSCH-UHFFFAOYSA-N 0 0 427.957 4.267 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2ccc3nnc(-c4ccc(Cl)cc4)n3c2)CC1 ZINC000033020987 556685286 /nfs/dbraw/zinc/68/52/86/556685286.db2.gz CANNRWIATOVBAF-UHFFFAOYSA-N 0 0 447.926 4.021 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)cc1 ZINC000033020740 556685852 /nfs/dbraw/zinc/68/58/52/556685852.db2.gz RJPZLMRRKFNQIL-NFBKMPQASA-N 0 0 435.616 4.369 50 0 IIAARN O=C(COC(=O)C(=Cc1ccco1)n1nnnc1-c1ccccc1)c1cc2ccccc2o1 ZINC000097654847 556686220 /nfs/dbraw/zinc/68/62/20/556686220.db2.gz GUPGAWRLQZZSQA-XMHGGMMESA-N 0 0 440.415 4.104 50 0 IIAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)c(C)c1 ZINC000018250525 556688381 /nfs/dbraw/zinc/68/83/81/556688381.db2.gz KXNWFNKEUZOIQP-HXUWFJFHSA-N 0 0 432.351 4.064 50 0 IIAARN COc1ccc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000018272292 556689017 /nfs/dbraw/zinc/68/90/17/556689017.db2.gz INEYVMRLZRZHBP-TXFWVUOCSA-N 0 0 439.511 4.139 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)ccn3n2)cc1 ZINC000046005102 556689338 /nfs/dbraw/zinc/68/93/38/556689338.db2.gz WFSZPXVTFKSFQV-UHFFFAOYSA-N 0 0 430.508 4.126 50 0 IIAARN Cc1cc(N2CCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1 ZINC000032937549 556689968 /nfs/dbraw/zinc/68/99/68/556689968.db2.gz QKJJMDZXGMBZJN-NDEPHWFRSA-N 0 0 441.428 4.145 50 0 IIAARN O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000252498006 556690018 /nfs/dbraw/zinc/69/00/18/556690018.db2.gz QTTHKOMTQWWRDZ-LEWJYISDSA-N 0 0 449.482 4.167 50 0 IIAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)o1 ZINC000046141406 556692741 /nfs/dbraw/zinc/69/27/41/556692741.db2.gz YVAMVCOZMGQCQL-UHFFFAOYSA-N 0 0 433.486 4.293 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCCc1cccs1 ZINC000046141547 556693297 /nfs/dbraw/zinc/69/32/97/556693297.db2.gz HNZUZSFFUVTATF-UHFFFAOYSA-N 0 0 449.554 4.495 50 0 IIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)(C)N5O ZINC000118918974 556696417 /nfs/dbraw/zinc/69/64/17/556696417.db2.gz HSNHEWPTHWDUDJ-YSQPEOMJSA-N 0 0 434.597 4.084 50 0 biogenic IIAARN O=C(Nc1ccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)c1ccco1 ZINC000024251237 556696544 /nfs/dbraw/zinc/69/65/44/556696544.db2.gz XSVAGODDUPSCQE-UHFFFAOYSA-N 0 0 427.356 4.198 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137710731 556698088 /nfs/dbraw/zinc/69/80/88/556698088.db2.gz OJWSVBCPLATMAB-BHDDXSALSA-N 0 0 434.879 4.400 50 0 IIAARN COc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000033026018 556701666 /nfs/dbraw/zinc/70/16/66/556701666.db2.gz NYBKVJIUTSLXQL-IIBYNOLFSA-N 0 0 434.989 4.019 50 0 IIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cccc3nccnc32)cc1 ZINC000072314756 556705118 /nfs/dbraw/zinc/70/51/18/556705118.db2.gz CHQFPBBSULHDCW-QHCPKHFHSA-N 0 0 428.517 4.478 50 0 IIAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCc1cccs1 ZINC000033032028 556712260 /nfs/dbraw/zinc/71/22/60/556712260.db2.gz AVMFCYQARUDKLI-UHFFFAOYSA-N 0 0 444.354 4.175 50 0 IIAARN CC(C)Oc1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031816 556712558 /nfs/dbraw/zinc/71/25/58/556712558.db2.gz ZEPDTRMEQYWESL-UHFFFAOYSA-N 0 0 435.499 4.277 50 0 IIAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000060347867 556717141 /nfs/dbraw/zinc/71/71/41/556717141.db2.gz FRIYQMSQAVQSGM-UHFFFAOYSA-N 0 0 449.255 4.432 50 0 IIAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)cc1OC ZINC000013728386 556721296 /nfs/dbraw/zinc/72/12/96/556721296.db2.gz KPVNQWRLUBVMJZ-UHFFFAOYSA-N 0 0 430.460 4.224 50 0 IIAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc(OC)c1OC ZINC000000862890 556723407 /nfs/dbraw/zinc/72/34/07/556723407.db2.gz BBUYUIHDALKBGS-UHFFFAOYSA-N 0 0 439.390 4.006 50 0 IIAARN O=C(NCCc1ccccc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038225 556724538 /nfs/dbraw/zinc/72/45/38/556724538.db2.gz SSWDYCKNDVHRDP-UHFFFAOYSA-N 0 0 426.520 4.441 50 0 IIAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061719753 556726616 /nfs/dbraw/zinc/72/66/16/556726616.db2.gz UVKPMOAJJATADR-UHFFFAOYSA-N 0 0 432.915 4.300 50 0 IIAARN Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccccc1I ZINC000072329999 556727699 /nfs/dbraw/zinc/72/76/99/556727699.db2.gz RCYPEMTXGUVQLC-UHFFFAOYSA-N 0 0 429.641 4.049 50 0 IIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1c(F)cc(F)cc1F ZINC000078949716 556737008 /nfs/dbraw/zinc/73/70/08/556737008.db2.gz FFEXPFSZJINEFJ-UHFFFAOYSA-N 0 0 440.487 4.240 50 0 IIAARN CCCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)c1 ZINC000005245086 556746757 /nfs/dbraw/zinc/74/67/57/556746757.db2.gz CFSWCZYUWZRBMX-UHFFFAOYSA-N 0 0 425.481 4.178 50 0 IIAARN CCOc1cc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc(OCC)c1OCC ZINC000005252236 556747439 /nfs/dbraw/zinc/74/74/39/556747439.db2.gz ZOHIZMGKHZMQNM-UHFFFAOYSA-N 0 0 426.513 4.434 50 0 IIAARN Cc1cccc(NC(=O)N2CCN(C(=O)/C=C/c3ccccc3OC(F)(F)F)CC2)c1 ZINC000060369090 556749164 /nfs/dbraw/zinc/74/91/64/556749164.db2.gz GMLLLTPWZAXMNB-MDZDMXLPSA-N 0 0 433.430 4.283 50 0 IIAARN CCOc1ccccc1N1CCN(Cn2nc3c(Cl)cc(Cl)cn3c2=S)CC1 ZINC000057945236 556749627 /nfs/dbraw/zinc/74/96/27/556749627.db2.gz AMABSPDXSGEHIT-UHFFFAOYSA-N 0 0 438.384 4.350 50 0 IIAARN O=C(NCc1nc(Cc2ccccc2)no1)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000057986844 556750330 /nfs/dbraw/zinc/75/03/30/556750330.db2.gz PDFZMFWPMHKDHH-UHFFFAOYSA-N 0 0 427.508 4.045 50 0 IIAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000058017931 556754229 /nfs/dbraw/zinc/75/42/29/556754229.db2.gz DPONZONDAUDPSD-NRFANRHFSA-N 0 0 445.450 4.077 50 0 IIAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000058048856 556755445 /nfs/dbraw/zinc/75/54/45/556755445.db2.gz HHOAQYFCPDZYMH-OAQYLSRUSA-N 0 0 444.622 4.144 50 0 IIAARN Cc1cc(NC(=O)c2ccc(F)cc2I)n(Cc2ccccc2)n1 ZINC000058098100 556757889 /nfs/dbraw/zinc/75/78/89/556757889.db2.gz SNIRUIXNVJBRSC-UHFFFAOYSA-N 0 0 435.240 4.236 50 0 IIAARN CCN(CC(=O)Nc1ccc(OC)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105484 556758435 /nfs/dbraw/zinc/75/84/35/556758435.db2.gz SPQGIRGQNAYYAE-QHCPKHFHSA-N 0 0 434.536 4.063 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000058115413 556759214 /nfs/dbraw/zinc/75/92/14/556759214.db2.gz XYHONLPLQYOCGS-MSOLQXFVSA-N 0 0 426.529 4.447 50 0 IIAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)C1(c2ccc(Cl)cc2)CC1 ZINC000096544237 556761102 /nfs/dbraw/zinc/76/11/02/556761102.db2.gz CUKKDIZDRDGIBQ-QGOAFFKASA-N 0 0 444.915 4.363 50 0 IIAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000005306628 556762775 /nfs/dbraw/zinc/76/27/75/556762775.db2.gz CHZJBCBIPZSJRY-XMMPIXPASA-N 0 0 425.504 4.327 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCCC1 ZINC000005317715 556763188 /nfs/dbraw/zinc/76/31/88/556763188.db2.gz ZBIWITJVPSZWRP-LAUBAEHRSA-N 0 0 425.529 4.079 50 0 IIAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000058159509 556763778 /nfs/dbraw/zinc/76/37/78/556763778.db2.gz ZPQUALWCRMZGCO-SFHVURJKSA-N 0 0 431.895 4.232 50 0 IIAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Br)c1 ZINC000058159129 556763782 /nfs/dbraw/zinc/76/37/82/556763782.db2.gz VTTFARYVVTZROE-UHFFFAOYSA-N 0 0 442.279 4.229 50 0 IIAARN COc1ccc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001401 556764454 /nfs/dbraw/zinc/76/44/54/556764454.db2.gz NIQAQYJKCFYYBX-LHHJGKSTSA-N 0 0 425.481 4.296 50 0 biogenic IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 ZINC000062022796 556765948 /nfs/dbraw/zinc/76/59/48/556765948.db2.gz YFJIQOARSXYHLQ-LJQANCHMSA-N 0 0 440.507 4.310 50 0 IIAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058166014 556766501 /nfs/dbraw/zinc/76/65/01/556766501.db2.gz AFCABSIAAFJIQF-OAQYLSRUSA-N 0 0 444.572 4.238 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@H](C)c1ccc(F)cc1 ZINC000058166957 556767157 /nfs/dbraw/zinc/76/71/57/556767157.db2.gz ZTTKBWKOPAIVII-QGZVFWFLSA-N 0 0 444.576 4.221 50 0 IIAARN CC[C@H](C(=O)n1nc(C)cc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000034115057 556770240 /nfs/dbraw/zinc/77/02/40/556770240.db2.gz JVUYHCWLWITAIL-FCHUYYIVSA-N 0 0 425.554 4.195 50 0 IIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000058179859 556770309 /nfs/dbraw/zinc/77/03/09/556770309.db2.gz ASAOVFWMTPCBNT-UHFFFAOYSA-N 0 0 431.414 4.167 50 0 IIAARN Cn1ccc2c1cccc2NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000058292476 556778077 /nfs/dbraw/zinc/77/80/77/556778077.db2.gz MKJLQUMYZUXDDV-UHFFFAOYSA-N 0 0 447.560 4.371 50 0 IIAARN COc1ccc(C2=N/C(=C\c3c(C)nn(Cc4ccc(F)cc4)c3Cl)C(=O)O2)cc1 ZINC000058299133 556778628 /nfs/dbraw/zinc/77/86/28/556778628.db2.gz XHMVLDWLKQBBNK-YBFXNURJSA-N 0 0 425.847 4.385 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000058315663 556780335 /nfs/dbraw/zinc/78/03/35/556780335.db2.gz SZOZVHXSLCCRHV-VGSWGCGISA-N 0 0 436.581 4.099 50 0 IIAARN O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000058343657 556782205 /nfs/dbraw/zinc/78/22/05/556782205.db2.gz GLJOZOIRPALLOD-SFHVURJKSA-N 0 0 436.928 4.295 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)NC(C)(C)c3ccc4c(c3)OCO4)cc2F)C[C@H](C)O1 ZINC000058377760 556784067 /nfs/dbraw/zinc/78/40/67/556784067.db2.gz LTWPLCYYGKTYRM-GASCZTMLSA-N 0 0 429.492 4.225 50 0 IIAARN CCC(CC)N(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)c1ccc(C)c(C)c1 ZINC000058378395 556784345 /nfs/dbraw/zinc/78/43/45/556784345.db2.gz IZDAXNYMNOGICZ-UHFFFAOYSA-N 0 0 431.602 4.201 50 0 IIAARN NC(=O)[C@H]1CCCN(c2ccc(C(=O)Oc3ccc(C4SCCS4)cc3)cc2)C1 ZINC000058381833 556784447 /nfs/dbraw/zinc/78/44/47/556784447.db2.gz FZLGXHDAQYRTMW-KRWDZBQOSA-N 0 0 428.579 4.086 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)Nc3ccc(N4CCCCC4)nc3)cc2F)C[C@H](C)O1 ZINC000058393428 556785039 /nfs/dbraw/zinc/78/50/39/556785039.db2.gz FIMMPBGXSUBMET-CALCHBBNSA-N 0 0 427.524 4.469 50 0 IIAARN O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000058417662 556786972 /nfs/dbraw/zinc/78/69/72/556786972.db2.gz ZJQMYOYUVAHZHC-OAHLLOKOSA-N 0 0 432.977 4.271 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000058423576 556787806 /nfs/dbraw/zinc/78/78/06/556787806.db2.gz OGCMLLRJOGWSEB-UHFFFAOYSA-N 0 0 434.826 4.421 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)c(OC)c1 ZINC000059054664 556794571 /nfs/dbraw/zinc/79/45/71/556794571.db2.gz BNQJOCXYRGMUIX-MRXNPFEDSA-N 0 0 425.407 4.409 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)C1 ZINC000059265656 556796758 /nfs/dbraw/zinc/79/67/58/556796758.db2.gz MCPRCOTUGVTBCN-HOTGVXAUSA-N 0 0 448.535 4.224 50 0 IIAARN CN(Cc1nccs1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000059314227 556797552 /nfs/dbraw/zinc/79/75/52/556797552.db2.gz OHIIWPTWPRDXID-IBGZPJMESA-N 0 0 425.554 4.299 50 0 IIAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5sc(C)nc5c4)C3)nn2)n1 ZINC000062164403 556798095 /nfs/dbraw/zinc/79/80/95/556798095.db2.gz HMDRCDVZTXPRBE-QGZVFWFLSA-N 0 0 447.568 4.052 50 0 IIAARN O=C1c2cccc(N3CCN(Cc4cccs4)CC3)c2C(=O)N1CCc1ccccc1F ZINC000059343242 556798332 /nfs/dbraw/zinc/79/83/32/556798332.db2.gz IBTPDGQQSBUEKO-UHFFFAOYSA-N 0 0 449.551 4.048 50 0 IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002094463 556798683 /nfs/dbraw/zinc/79/86/83/556798683.db2.gz BYLTTWVUFULCSN-INIZCTEOSA-N 0 0 435.542 4.270 50 0 biogenic IIAARN NC(=O)COc1ccc(C=C2SC(=O)N=C2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072401434 556800647 /nfs/dbraw/zinc/80/06/47/556800647.db2.gz GRYJFGZPFSWHHL-DHDCSXOGSA-N 0 0 437.399 4.168 50 0 IIAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)n1 ZINC000072401444 556800690 /nfs/dbraw/zinc/80/06/90/556800690.db2.gz FZFDVLPURBCSID-APWZRJJASA-N 0 0 425.554 4.121 50 0 IIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000033053027 556803397 /nfs/dbraw/zinc/80/33/97/556803397.db2.gz XOTXZHYYZBOOCO-HSZRJFAPSA-N 0 0 438.549 4.306 50 0 IIAARN CC(C)CCNC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000033053288 556803966 /nfs/dbraw/zinc/80/39/66/556803966.db2.gz BCJPMCZSMBJNCZ-UHFFFAOYSA-N 0 0 449.661 4.119 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)Cc2c(F)cccc2F)c1 ZINC000059767626 556804462 /nfs/dbraw/zinc/80/44/62/556804462.db2.gz HVEMIUGBAWYKOX-ZDUSSCGKSA-N 0 0 444.931 4.008 50 0 IIAARN Cc1cc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)ccc1Br ZINC000003221376 556805497 /nfs/dbraw/zinc/80/54/97/556805497.db2.gz GXCSLRKEJZDATN-GOSISDBHSA-N 0 0 429.314 4.407 50 0 IIAARN COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)c2ccc(Br)cc2C)CC1=O ZINC000060018685 556805790 /nfs/dbraw/zinc/80/57/90/556805790.db2.gz JEOJJJIQDATCMG-HNNXBMFYSA-N 0 0 431.330 4.090 50 0 IIAARN O=C(COC(=O)c1cccc(I)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000003227628 556805759 /nfs/dbraw/zinc/80/57/59/556805759.db2.gz ULJPCXNZIGFZGH-UHFFFAOYSA-N 0 0 449.166 4.106 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003286764 556808649 /nfs/dbraw/zinc/80/86/49/556808649.db2.gz OJTIQTKUTYPPEW-UHFFFAOYSA-N 0 0 445.415 4.236 50 0 IIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n2N)cc1 ZINC000003344386 556813231 /nfs/dbraw/zinc/81/32/31/556813231.db2.gz GQZQHFWXVKOGRP-UHFFFAOYSA-N 0 0 447.511 4.289 50 0 IIAARN COC[C@@H](C)n1c(SCC(=O)c2ccc(OC(F)F)cc2)nc2ccccc2c1=O ZINC000003352157 556813885 /nfs/dbraw/zinc/81/38/85/556813885.db2.gz VLAMIRAIYLHKJC-CYBMUJFWSA-N 0 0 434.464 4.180 50 0 IIAARN Cc1c(NC(=O)CCCOc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003403132 556814407 /nfs/dbraw/zinc/81/44/07/556814407.db2.gz DEAONFLSWNXUEJ-UHFFFAOYSA-N 0 0 444.329 4.045 50 0 IIAARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc(OC)c1 ZINC000011209771 556814367 /nfs/dbraw/zinc/81/43/67/556814367.db2.gz VGYFLPVGEDVVBH-UHFFFAOYSA-N 0 0 441.553 4.191 50 0 IIAARN Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000003412750 556814587 /nfs/dbraw/zinc/81/45/87/556814587.db2.gz DNAQXCVFKQZPKG-UHFFFAOYSA-N 0 0 443.565 4.216 50 0 IIAARN C[C@@H](OC(=O)/C=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000096450234 556815378 /nfs/dbraw/zinc/81/53/78/556815378.db2.gz OKBIIHNLRLFPFB-ZUYFITGHSA-N 0 0 428.204 4.450 50 0 IIAARN CCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000003447650 556815745 /nfs/dbraw/zinc/81/57/45/556815745.db2.gz NFOYZJSZOZONNO-UHFFFAOYSA-N 0 0 438.391 4.062 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072402527 556815878 /nfs/dbraw/zinc/81/58/78/556815878.db2.gz WZJXBHAIWKVDEF-REWPJTCUSA-N 0 0 436.527 4.173 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCCCC1 ZINC000003376622 556816354 /nfs/dbraw/zinc/81/63/54/556816354.db2.gz KBVDMMMRCRQSFF-UHFFFAOYSA-N 0 0 442.581 4.289 50 0 IIAARN Cc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)nc21 ZINC000003558933 556817702 /nfs/dbraw/zinc/81/77/02/556817702.db2.gz SXBMUSGNURFZAM-UHFFFAOYSA-N 0 0 429.567 4.422 50 0 IIAARN Cc1cc(C)c(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000033063026 556818511 /nfs/dbraw/zinc/81/85/11/556818511.db2.gz VGJZEWGAZSJQLL-UHFFFAOYSA-N 0 0 447.944 4.193 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000005493743 556818636 /nfs/dbraw/zinc/81/86/36/556818636.db2.gz QHUDJJHTJBFYFA-IERDGZPVSA-N 0 0 447.000 4.396 50 0 IIAARN COc1ccc(OC)c2c1cc(C(=O)Nc1ccc(Oc3ccc4c(c3)OCO4)nc1)n2C ZINC000072402995 556819994 /nfs/dbraw/zinc/81/99/94/556819994.db2.gz JRSAUULUCSORBM-UHFFFAOYSA-N 0 0 447.447 4.364 50 0 IIAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3Cl)nc2c1 ZINC000033067986 556820322 /nfs/dbraw/zinc/82/03/22/556820322.db2.gz XKXRVZBTMJOKCK-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000005538326 556822508 /nfs/dbraw/zinc/82/25/08/556822508.db2.gz YEAYRWUIEOPPET-HNNXBMFYSA-N 0 0 425.558 4.045 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccccc3Cl)ccc21 ZINC000064983991 556829937 /nfs/dbraw/zinc/82/99/37/556829937.db2.gz SAOWCHLQXWTYAL-FQEVSTJZSA-N 0 0 448.972 4.391 50 0 IIAARN C[C@@H]1Cc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000065003669 556831776 /nfs/dbraw/zinc/83/17/76/556831776.db2.gz CWEBXHSOEUQFHF-MRXNPFEDSA-N 0 0 440.952 4.410 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000019631561 556832495 /nfs/dbraw/zinc/83/24/95/556832495.db2.gz IWMNJFRHLJCYQT-UHFFFAOYSA-N 0 0 440.455 4.332 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccc(Cl)cc4)CN3C2=O)c(C)c1 ZINC000065330180 556833592 /nfs/dbraw/zinc/83/35/92/556833592.db2.gz QTRZZYZWEPNOGL-SFHVURJKSA-N 0 0 428.945 4.021 50 0 IIAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)nn2)n1 ZINC000065362194 556834185 /nfs/dbraw/zinc/83/41/85/556834185.db2.gz DARFWGVCMAPJFX-UHFFFAOYSA-N 0 0 439.523 4.431 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000065362951 556834778 /nfs/dbraw/zinc/83/47/78/556834778.db2.gz RYGZEUNLKBUNOU-FQEVSTJZSA-N 0 0 446.555 4.222 50 0 IIAARN CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)c(C(=O)Nc2ccccc2)n1 ZINC000019643576 556838376 /nfs/dbraw/zinc/83/83/76/556838376.db2.gz ITIHXAADMFJZGN-UHFFFAOYSA-N 0 0 445.527 4.350 50 0 IIAARN COc1ccc2cc(C(=O)N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c(=O)oc2c1 ZINC000019645644 556840088 /nfs/dbraw/zinc/84/00/88/556840088.db2.gz VJRIMVAEMMNBNH-UHFFFAOYSA-N 0 0 447.318 4.066 50 0 IIAARN O=C(c1ccc(Cl)cc1)N(CCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022998573 556841119 /nfs/dbraw/zinc/84/11/19/556841119.db2.gz IKHKSAWKICVFBP-UHFFFAOYSA-N 0 0 437.899 4.207 50 0 IIAARN Cc1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n(Cc2ccccc2)n1 ZINC000023003216 556841815 /nfs/dbraw/zinc/84/18/15/556841815.db2.gz FZSPPEPPTBEVJP-UHFFFAOYSA-N 0 0 435.505 4.059 50 0 IIAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008760871 556845667 /nfs/dbraw/zinc/84/56/67/556845667.db2.gz OBYUYTZHEGROJS-GFCCVEGCSA-N 0 0 436.459 4.040 50 0 IIAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCc4nc(-c5ccccc5)no4)c(C)c3cc12 ZINC000008764966 556845731 /nfs/dbraw/zinc/84/57/31/556845731.db2.gz ROGJDLKPCVRYPR-UHFFFAOYSA-N 0 0 443.459 4.455 50 0 biogenic IIAARN CSc1ncc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)cn1 ZINC000067713136 556846298 /nfs/dbraw/zinc/84/62/98/556846298.db2.gz LPOVYDDUKUOYTI-UHFFFAOYSA-N 0 0 437.573 4.185 50 0 IIAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3cc(C)ccc3OC)C2)c1 ZINC000067773148 556846493 /nfs/dbraw/zinc/84/64/93/556846493.db2.gz KBNIFKFTCNGORP-LJQANCHMSA-N 0 0 439.556 4.353 50 0 IIAARN COc1ccccc1C1=N/C(=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C(=O)O1 ZINC000096814851 556846706 /nfs/dbraw/zinc/84/67/06/556846706.db2.gz YRFCQEPSBFDYOP-YBFXNURJSA-N 0 0 434.448 4.232 50 0 IIAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3OC)C2=O)cc1 ZINC000068713312 556849546 /nfs/dbraw/zinc/84/95/46/556849546.db2.gz XMVMLYNAXUJXJI-HHHXNRCGSA-N 0 0 445.515 4.144 50 0 IIAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccccc3F)CC2)c1 ZINC000033073562 556852682 /nfs/dbraw/zinc/85/26/82/556852682.db2.gz PVGNQQBHXXYXJX-UHFFFAOYSA-N 0 0 448.498 4.337 50 0 IIAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCc5cccs5)CC4)c32)cc1 ZINC000033084802 556855018 /nfs/dbraw/zinc/85/50/18/556855018.db2.gz VYHRFEFDHQYPCH-UHFFFAOYSA-N 0 0 433.537 4.188 50 0 IIAARN Cc1cc(SCC(=O)Nc2ccc(Cl)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087803 556855575 /nfs/dbraw/zinc/85/55/75/556855575.db2.gz UADRNDRBCQLQSL-UHFFFAOYSA-N 0 0 449.985 4.178 50 0 IIAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3c(Cl)cc(OC)cc3OC)c2)no1 ZINC000033086488 556857128 /nfs/dbraw/zinc/85/71/28/556857128.db2.gz XYGTVSQTFJZBSD-UHFFFAOYSA-N 0 0 437.905 4.079 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088562 556857864 /nfs/dbraw/zinc/85/78/64/556857864.db2.gz YWESGZZPQJADJH-UHFFFAOYSA-N 0 0 437.834 4.455 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000033114036 556860915 /nfs/dbraw/zinc/86/09/15/556860915.db2.gz KVRQKQRQMAJCLS-UHFFFAOYSA-N 0 0 443.479 4.480 50 0 IIAARN Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccco5)CC4)n3n2)c1 ZINC000033115875 556861690 /nfs/dbraw/zinc/86/16/90/556861690.db2.gz ICGUGNRAVJGURW-UHFFFAOYSA-N 0 0 443.551 4.447 50 0 IIAARN COc1cccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033122960 556864082 /nfs/dbraw/zinc/86/40/82/556864082.db2.gz HTLCKZIVCZNVCS-UHFFFAOYSA-N 0 0 439.468 4.276 50 0 IIAARN COc1ccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1OC ZINC000033127829 556864862 /nfs/dbraw/zinc/86/48/62/556864862.db2.gz ACLVGZFQXHYDOE-HSZRJFAPSA-N 0 0 431.492 4.156 50 0 IIAARN COc1cc(OC)cc(C(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000033125892 556866726 /nfs/dbraw/zinc/86/67/26/556866726.db2.gz YJBHVGLFBNUCIA-UHFFFAOYSA-N 0 0 445.947 4.421 50 0 IIAARN O=C(NC1CCCCC1)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126991 556867808 /nfs/dbraw/zinc/86/78/08/556867808.db2.gz LYYRSGJRQPBVNQ-UHFFFAOYSA-N 0 0 432.442 4.438 50 0 IIAARN CN1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000019708397 556868966 /nfs/dbraw/zinc/86/89/66/556868966.db2.gz YMDSAGGVFVRPDF-RUZDIDTESA-N 0 0 426.004 4.409 50 0 IIAARN O=S(=O)(c1cc(-c2cc(C(F)(F)F)on2)cs1)N1CCN(C2CCCCC2)CC1 ZINC000033173696 556883552 /nfs/dbraw/zinc/88/35/52/556883552.db2.gz BBOBZWLTAABGEA-UHFFFAOYSA-N 0 0 449.520 4.061 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc(OC)cc1 ZINC000033173577 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557019530 /nfs/dbraw/zinc/01/95/30/557019530.db2.gz DBNVRIGNLLMGEA-UHFFFAOYSA-N 0 0 446.956 4.358 50 0 IIAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)c1 ZINC000046017138 557020345 /nfs/dbraw/zinc/02/03/45/557020345.db2.gz PJWSCHRSIMDYDK-LJQANCHMSA-N 0 0 435.549 4.254 50 0 IIAARN COc1cc(CC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc(OC)c1OC ZINC000010718974 557020759 /nfs/dbraw/zinc/02/07/59/557020759.db2.gz CQTPLDGJGKARKS-UHFFFAOYSA-N 0 0 441.524 4.164 50 0 IIAARN CCCn1c(C)ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)n2)c1=O ZINC000046020534 557020877 /nfs/dbraw/zinc/02/08/77/557020877.db2.gz NZEQWIXHVHMSIC-OAHLLOKOSA-N 0 0 428.920 4.080 50 0 IIAARN Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccccc1Cl ZINC000023138637 557021992 /nfs/dbraw/zinc/02/19/92/557021992.db2.gz OWSQCHARICPYPX-UHFFFAOYSA-N 0 0 431.920 4.022 50 0 IIAARN O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)c1ccc(Cl)cc1 ZINC000023140136 557022667 /nfs/dbraw/zinc/02/26/67/557022667.db2.gz RJKOIQUYOHPHAS-UHFFFAOYSA-N 0 0 430.986 4.493 50 0 IIAARN CCN(C(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1)c1ccc(C(C)C)cc1 ZINC000046031455 557023996 /nfs/dbraw/zinc/02/39/96/557023996.db2.gz FXUFJKJGPHDZJG-UHFFFAOYSA-N 0 0 447.564 4.377 50 0 IIAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000072275041 557027153 /nfs/dbraw/zinc/02/71/53/557027153.db2.gz QOMIAMKFQMFQQL-MZNJEOGPSA-N 0 0 434.625 4.288 50 0 IIAARN Cc1nnc2sc(-c3ccc(CNC(=O)COc4cc(C)ccc4C(C)C)cc3)nn12 ZINC000046056302 557028418 /nfs/dbraw/zinc/02/84/18/557028418.db2.gz ATCSGZRLJHNPHI-UHFFFAOYSA-N 0 0 435.553 4.288 50 0 IIAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc(F)cc1)CC(=O)N2 ZINC000046057031 557028832 /nfs/dbraw/zinc/02/88/32/557028832.db2.gz NIRSRZSPFNIPPB-MRXNPFEDSA-N 0 0 428.261 4.391 50 0 IIAARN CCN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073686 557030238 /nfs/dbraw/zinc/03/02/38/557030238.db2.gz OPPSFJZPXJTGNV-UHFFFAOYSA-N 0 0 444.578 4.361 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCC1 ZINC000017177730 557030767 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ZINC000001199287 557120320 /nfs/dbraw/zinc/12/03/20/557120320.db2.gz YMXOUYXVSWLPCY-UHFFFAOYSA-N 0 0 449.513 4.098 50 0 IIAARN CC(C)CCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740387 557121286 /nfs/dbraw/zinc/12/12/86/557121286.db2.gz OJATVTJDPVKGII-IMRHEYAYSA-N 0 0 444.553 4.413 50 0 biogenic IIAARN COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc21 ZINC000000623940 557121632 /nfs/dbraw/zinc/12/16/32/557121632.db2.gz WRXYZAQNPOFMBV-UHFFFAOYSA-N 0 0 433.254 4.413 50 0 IIAARN CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000098086303 557121944 /nfs/dbraw/zinc/12/19/44/557121944.db2.gz ZOQMJPSICWKCSR-UDWIEESQSA-N 0 0 440.521 4.386 50 0 IIAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000014939114 557123886 /nfs/dbraw/zinc/12/38/86/557123886.db2.gz WYHRZYMHIYWOOH-UHFFFAOYSA-N 0 0 435.452 4.438 50 0 IIAARN C[C@H](NC(=O)CCCCCn1c(=O)[nH]c2ccsc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004793103 557125139 /nfs/dbraw/zinc/12/51/39/557125139.db2.gz 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Cc1ccc2nc(CSCC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)n2c1 ZINC000024067602 557134931 /nfs/dbraw/zinc/13/49/31/557134931.db2.gz PUZSWSAYBKPVPM-ZDUSSCGKSA-N 0 0 436.364 4.420 50 0 IIAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000024079025 557135577 /nfs/dbraw/zinc/13/55/77/557135577.db2.gz SIRLZCUHEUBLNE-AWEZNQCLSA-N 0 0 444.532 4.422 50 0 IIAARN Cc1nc(COc2cccc(C(=O)OCC(=O)c3ccc4c(c3)OCCCO4)c2)cs1 ZINC000024360346 557136135 /nfs/dbraw/zinc/13/61/35/557136135.db2.gz DMXOCRWAWWHJBC-UHFFFAOYSA-N 0 0 439.489 4.232 50 0 IIAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247460478 557136109 /nfs/dbraw/zinc/13/61/09/557136109.db2.gz AOWBKSGDJFVAJW-AHRSYUTCSA-N 0 0 440.927 4.158 50 0 IIAARN CC(=O)Nc1cccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000024132489 557137928 /nfs/dbraw/zinc/13/79/28/557137928.db2.gz YZBWFRDNSHBQCU-UHFFFAOYSA-N 0 0 449.501 4.471 50 0 IIAARN Cc1ccc(-c2nnc(SCCS(=O)(=O)c3ccc(Br)cc3)o2)cc1 ZINC000011390697 557138008 /nfs/dbraw/zinc/13/80/08/557138008.db2.gz YBSOWJNGDQDTNN-UHFFFAOYSA-N 0 0 439.356 4.374 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000003142521 557138050 /nfs/dbraw/zinc/13/80/50/557138050.db2.gz YSZWOWBJQRIDOR-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024179936 557139616 /nfs/dbraw/zinc/13/96/16/557139616.db2.gz RXFFJGNPTBKFJX-UHFFFAOYSA-N 0 0 438.471 4.028 50 0 IIAARN O=C1CCCN1Cc1nnc(SCc2csc(-c3ccccc3)n2)n1-c1ccccn1 ZINC000024196365 557140533 /nfs/dbraw/zinc/14/05/33/557140533.db2.gz XLKXXRYXPFROQP-UHFFFAOYSA-N 0 0 448.577 4.201 50 0 IIAARN O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl ZINC000024209563 557141034 /nfs/dbraw/zinc/14/10/34/557141034.db2.gz KMKLTIRCUXXREI-KRWDZBQOSA-N 0 0 435.332 4.354 50 0 IIAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024230422 557141824 /nfs/dbraw/zinc/14/18/24/557141824.db2.gz REWJDTZFTYZPHT-UHFFFAOYSA-N 0 0 428.458 4.158 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000024258807 557142120 /nfs/dbraw/zinc/14/21/20/557142120.db2.gz WURBWSWXBNNKSL-UHFFFAOYSA-N 0 0 438.221 4.055 50 0 IIAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000011418699 557143474 /nfs/dbraw/zinc/14/34/74/557143474.db2.gz IVOWWGITUJUFGK-CYBMUJFWSA-N 0 0 432.307 4.112 50 0 IIAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011418096 557143490 /nfs/dbraw/zinc/14/34/90/557143490.db2.gz JTGZGJMPFCBEEY-IOAHRDFVSA-N 0 0 443.975 4.126 50 0 IIAARN CC1(C)[C@H](n2oc(=O)n(-c3ccccc3)c2=O)N(c2ccccc2)C(=O)N1C1CCCCC1 ZINC000003146959 557144589 /nfs/dbraw/zinc/14/45/89/557144589.db2.gz ZRYCSCBBYLYDHV-NRFANRHFSA-N 0 0 448.523 4.144 50 0 IIAARN COc1ccc(Oc2ncccc2NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000072288949 557150120 /nfs/dbraw/zinc/15/01/20/557150120.db2.gz GQCCUFFXBSREKV-UHFFFAOYSA-N 0 0 430.505 4.307 50 0 IIAARN O=C(NCc1ccccc1COc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000011454426 557150447 /nfs/dbraw/zinc/15/04/47/557150447.db2.gz SIVZTAHRNXWXMO-UHFFFAOYSA-N 0 0 434.561 4.496 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cc1ccc(OCC)c(OCC)c1 ZINC000000720601 557152773 /nfs/dbraw/zinc/15/27/73/557152773.db2.gz SSGOMYVJSUZBDQ-UHFFFAOYSA-N 0 0 433.526 4.414 50 0 IIAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607158 557153368 /nfs/dbraw/zinc/15/33/68/557153368.db2.gz VOSQXWCKEMDRAA-UHFFFAOYSA-N 0 0 434.989 4.391 50 0 IIAARN COc1ccc2c(COC(=O)c3ccccc3N(C)C(=O)c3cccs3)cc(=O)oc2c1 ZINC000011491252 557153400 /nfs/dbraw/zinc/15/34/00/557153400.db2.gz DRWXQSOCJZCCBD-UHFFFAOYSA-N 0 0 449.484 4.497 50 0 IIAARN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608673 557153933 /nfs/dbraw/zinc/15/39/33/557153933.db2.gz FXOIVVVBXJMPBO-UHFFFAOYSA-N 0 0 439.002 4.242 50 0 IIAARN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1 ZINC000024635432 557156780 /nfs/dbraw/zinc/15/67/80/557156780.db2.gz SUQRRGVFYBOGPZ-UHFFFAOYSA-N 0 0 448.500 4.246 50 0 IIAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024683758 557158768 /nfs/dbraw/zinc/15/87/68/557158768.db2.gz VIJNKQOLZQJVAA-CYBMUJFWSA-N 0 0 426.416 4.295 50 0 IIAARN CCn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccccc1OC ZINC000024828658 557165706 /nfs/dbraw/zinc/16/57/06/557165706.db2.gz WQAMWPUXAFLLBP-UHFFFAOYSA-N 0 0 449.561 4.489 50 0 IIAARN O=C(CSc1nc2ccccc2s1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206838849 557165972 /nfs/dbraw/zinc/16/59/72/557165972.db2.gz VHCRDDMOHILGKY-OAHLLOKOSA-N 0 0 438.534 4.064 50 0 IIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2cccc(C)c2c1Cl ZINC000024834740 557166485 /nfs/dbraw/zinc/16/64/85/557166485.db2.gz VJMCEMAQRGSWPY-UHFFFAOYSA-N 0 0 441.940 4.388 50 0 IIAARN CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000754681 557168905 /nfs/dbraw/zinc/16/89/05/557168905.db2.gz YCSQUMADCPEGTB-UHFFFAOYSA-N 0 0 447.520 4.441 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207018457 557171008 /nfs/dbraw/zinc/17/10/08/557171008.db2.gz OHUSZHGIIFPKNW-AWEZNQCLSA-N 0 0 437.974 4.403 50 0 IIAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000024839873 557172995 /nfs/dbraw/zinc/17/29/95/557172995.db2.gz UPUBXVSVJYKMIH-INIZCTEOSA-N 0 0 442.562 4.015 50 0 IIAARN Cc1c(NC(=O)c2ccc(-n3ccnc3)nc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000024877880 557176301 /nfs/dbraw/zinc/17/63/01/557176301.db2.gz MEZJHKFRHNPQKS-UHFFFAOYSA-N 0 0 443.532 4.088 50 0 IIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024899799 557177712 /nfs/dbraw/zinc/17/77/12/557177712.db2.gz WCSYHQABUWHYJB-INIZCTEOSA-N 0 0 441.443 4.215 50 0 IIAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000024953195 557182065 /nfs/dbraw/zinc/18/20/65/557182065.db2.gz VGWGHFKLYPAVML-GFCCVEGCSA-N 0 0 428.286 4.101 50 0 IIAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000786362 557183102 /nfs/dbraw/zinc/18/31/02/557183102.db2.gz WDTSSKDASSUMSB-UHFFFAOYSA-N 0 0 437.569 4.460 50 0 IIAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1OC ZINC000000786364 557183171 /nfs/dbraw/zinc/18/31/71/557183171.db2.gz VRIJIXYYXNDGHR-UHFFFAOYSA-N 0 0 425.558 4.266 50 0 IIAARN Cc1nc(-c2cccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)c2)cs1 ZINC000024973335 557184303 /nfs/dbraw/zinc/18/43/03/557184303.db2.gz OXNHONLYIFIRHA-UHFFFAOYSA-N 0 0 447.607 4.146 50 0 IIAARN CCc1nnc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)s1 ZINC000009328585 557187302 /nfs/dbraw/zinc/18/73/02/557187302.db2.gz DMZJALJRGUBCJZ-UHFFFAOYSA-N 0 0 434.934 4.026 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1cccs1 ZINC000100821744 557188222 /nfs/dbraw/zinc/18/82/22/557188222.db2.gz CDTJVVHHQNYUOW-INIZCTEOSA-N 0 0 425.535 4.128 50 0 IIAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000025046424 557190641 /nfs/dbraw/zinc/19/06/41/557190641.db2.gz LUJWXSKWHCXHKI-FQEVSTJZSA-N 0 0 444.318 4.493 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000003182773 557193580 /nfs/dbraw/zinc/19/35/80/557193580.db2.gz WLYHGMZPJIEDQW-FQEVSTJZSA-N 0 0 441.578 4.219 50 0 IIAARN Cc1ccc2nc(COc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)cn2c1 ZINC000025072957 557194539 /nfs/dbraw/zinc/19/45/39/557194539.db2.gz DDMZWKXHUMTOSB-UHFFFAOYSA-N 0 0 440.547 4.180 50 0 IIAARN CC[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000025139402 557196096 /nfs/dbraw/zinc/19/60/96/557196096.db2.gz QNEIZPYRQJBIBM-OAQYLSRUSA-N 0 0 446.389 4.232 50 0 IIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025146257 557196917 /nfs/dbraw/zinc/19/69/17/557196917.db2.gz LXZOOERVIODCFM-GGAORHGYSA-N 0 0 428.517 4.272 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316743 557198760 /nfs/dbraw/zinc/19/87/60/557198760.db2.gz SXNJGOLTIHMNHN-UHFFFAOYSA-N 0 0 432.490 4.016 50 0 IIAARN COCCOc1cc(NC(=O)CCC(=O)c2ccc(Br)cc2)ccc1OC ZINC000025223333 557200096 /nfs/dbraw/zinc/20/00/96/557200096.db2.gz DNRSYSMDCXHNII-UHFFFAOYSA-N 0 0 436.302 4.085 50 0 IIAARN COc1ccc(CN(C(=O)COc2ccc(Br)cc2F)C2CC2)c(OC)c1 ZINC000025291806 557203155 /nfs/dbraw/zinc/20/31/55/557203155.db2.gz ZQEKECYOMSICBR-UHFFFAOYSA-N 0 0 438.293 4.175 50 0 IIAARN COc1cc(F)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000025311680 557203466 /nfs/dbraw/zinc/20/34/66/557203466.db2.gz DJBAPKIUGIEMJN-UHFFFAOYSA-N 0 0 432.448 4.335 50 0 IIAARN FC(F)Sc1ccc(NC(=S)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000025325901 557204161 /nfs/dbraw/zinc/20/41/61/557204161.db2.gz AWATUWFBXAEFTO-OAHLLOKOSA-N 0 0 429.583 4.423 50 0 IIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025339518 557204993 /nfs/dbraw/zinc/20/49/93/557204993.db2.gz KECULRDWTGVGHS-UHFFFAOYSA-N 0 0 440.857 4.230 50 0 IIAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000011591752 557206610 /nfs/dbraw/zinc/20/66/10/557206610.db2.gz LAPMWLUGXDHELS-GOSISDBHSA-N 0 0 437.550 4.201 50 0 IIAARN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 ZINC000025388909 557206854 /nfs/dbraw/zinc/20/68/54/557206854.db2.gz PHRNKJHVKTWMKZ-SFHVURJKSA-N 0 0 437.565 4.485 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4c5ccccc5C[C@H]4C)cc3C2=O)cc1 ZINC000025470189 557211818 /nfs/dbraw/zinc/21/18/18/557211818.db2.gz VTPCIFVCBLORIW-MRXNPFEDSA-N 0 0 426.472 4.477 50 0 IIAARN COc1ccc(Br)c2c1C(=O)C(Br)(Br)CCC2 ZINC000025540875 557213723 /nfs/dbraw/zinc/21/37/23/557213723.db2.gz IFDUYUJCDKHABV-UHFFFAOYSA-N 0 0 426.930 4.463 50 0 IIAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000011627208 557215096 /nfs/dbraw/zinc/21/50/96/557215096.db2.gz HDIFVXZJDLQYJR-OAHLLOKOSA-N 0 0 445.516 4.283 50 0 IIAARN COc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)c1OC ZINC000025667076 557221007 /nfs/dbraw/zinc/22/10/07/557221007.db2.gz OMUAQUMEBPBODR-UHFFFAOYSA-N 0 0 430.551 4.279 50 0 IIAARN COc1ccc(CCC(=O)N[C@@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032949263 557221962 /nfs/dbraw/zinc/22/19/62/557221962.db2.gz WEFHHYNUVBYSCS-QFIPXVFZSA-N 0 0 447.531 4.335 50 0 IIAARN COc1ccc(CCC(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032949265 557222100 /nfs/dbraw/zinc/22/21/00/557222100.db2.gz WEFHHYNUVBYSCS-JOCHJYFZSA-N 0 0 447.531 4.335 50 0 IIAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C(=O)N4CCCC4)cc3)o2)c1 ZINC000025700738 557222705 /nfs/dbraw/zinc/22/27/05/557222705.db2.gz XNBGRSSBLXFGTJ-UHFFFAOYSA-N 0 0 425.510 4.282 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)sc2C1 ZINC000011448248 557229407 /nfs/dbraw/zinc/22/94/07/557229407.db2.gz VUOKGHRNTGRXBT-NSHDSACASA-N 0 0 442.591 4.407 50 0 IIAARN Cc1ccc(-c2nnc(CN(C)CC(=O)Nc3ccc(Br)cc3C)o2)cc1 ZINC000025919370 557230360 /nfs/dbraw/zinc/23/03/60/557230360.db2.gz IGCUFGKCTABYMR-UHFFFAOYSA-N 0 0 429.318 4.186 50 0 IIAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000011627207 557230914 /nfs/dbraw/zinc/23/09/14/557230914.db2.gz HDIFVXZJDLQYJR-HNNXBMFYSA-N 0 0 445.516 4.283 50 0 IIAARN C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011677188 557231825 /nfs/dbraw/zinc/23/18/25/557231825.db2.gz FYGHXCUQSVXXFL-SECBINFHSA-N 0 0 431.827 4.106 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)c1 ZINC000011696361 557233170 /nfs/dbraw/zinc/23/31/70/557233170.db2.gz AXTSBVAIVZIJCR-UHFFFAOYSA-N 0 0 425.535 4.149 50 0 IIAARN Cc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)sc2nc(C(C)(C)C)nc(C)c12 ZINC000026084463 557233547 /nfs/dbraw/zinc/23/35/47/557233547.db2.gz WBFDIHKYVKRYOF-UHFFFAOYSA-N 0 0 435.546 4.401 50 0 IIAARN CCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1OCC ZINC000098212585 557235771 /nfs/dbraw/zinc/23/57/71/557235771.db2.gz UTNITIOPOJXCMH-UHFFFAOYSA-N 0 0 448.567 4.202 50 0 IIAARN O=C(Cc1c(F)cccc1Cl)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098212869 557236098 /nfs/dbraw/zinc/23/60/98/557236098.db2.gz JOBFRTLCCKUCJX-UHFFFAOYSA-N 0 0 430.886 4.336 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000018094834 557236621 /nfs/dbraw/zinc/23/66/21/557236621.db2.gz PUDAWNXQIBVRMW-CQSZACIVSA-N 0 0 434.945 4.079 50 0 IIAARN CCc1c(C)sc2nc(S[C@H]3CCOC3=O)n(-c3ccc(OC)cc3C)c(=O)c12 ZINC000032950671 557237694 /nfs/dbraw/zinc/23/76/94/557237694.db2.gz OQWSABLSXBJYLK-INIZCTEOSA-N 0 0 430.551 4.043 50 0 IIAARN CCCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100044210 557238815 /nfs/dbraw/zinc/23/88/15/557238815.db2.gz GOIDYQQMPNRTLO-GOSISDBHSA-N 0 0 432.929 4.133 50 0 IIAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000026374158 557240034 /nfs/dbraw/zinc/24/00/34/557240034.db2.gz DHRCJXGYDHCGHI-AWEZNQCLSA-N 0 0 446.429 4.031 50 0 IIAARN C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)c1nnc(-c2cccs2)o1 ZINC000026434466 557241031 /nfs/dbraw/zinc/24/10/31/557241031.db2.gz HWWBYDSWJTWNOL-RISCZKNCSA-N 0 0 427.511 4.292 50 0 IIAARN O=C(NCc1ccc(F)cc1F)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 ZINC000583648358 557241580 /nfs/dbraw/zinc/24/15/80/557241580.db2.gz ZYBLJISFVPXZIO-UHFFFAOYSA-N 0 0 425.826 4.191 50 0 IIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1C ZINC000018147945 557243196 /nfs/dbraw/zinc/24/31/96/557243196.db2.gz UEARBEAFJQKIIU-UHFFFAOYSA-N 0 0 443.547 4.492 50 0 IIAARN NC(=O)c1ccc(Cl)cc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000062696022 557245155 /nfs/dbraw/zinc/24/51/55/557245155.db2.gz TWNSTDJELFJLDC-IBGZPJMESA-N 0 0 432.954 4.115 50 0 IIAARN O=C(NCc1cccs1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952103 557247427 /nfs/dbraw/zinc/24/74/27/557247427.db2.gz WMMSOGSKWNLJKB-UHFFFAOYSA-N 0 0 433.518 4.039 50 0 IIAARN CCN(C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc2ccccc2s1 ZINC000026907188 557250906 /nfs/dbraw/zinc/25/09/06/557250906.db2.gz YCJSFTQVSCAKFC-UHFFFAOYSA-N 0 0 429.567 4.138 50 0 IIAARN CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2s1 ZINC000026906065 557250909 /nfs/dbraw/zinc/25/09/09/557250909.db2.gz IENHUDAVPWDAJU-UHFFFAOYSA-N 0 0 449.985 4.401 50 0 IIAARN O=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000018206881 557251962 /nfs/dbraw/zinc/25/19/62/557251962.db2.gz VPNBDZVXGCGUDN-UHFFFAOYSA-N 0 0 426.257 4.372 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390829291 557252962 /nfs/dbraw/zinc/25/29/62/557252962.db2.gz DHRDUPXKWVZKRQ-KUHUBIRLSA-N 0 0 442.364 4.149 50 0 IIAARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000018249836 557254036 /nfs/dbraw/zinc/25/40/36/557254036.db2.gz OBDSGWQQXUYRAW-UHFFFAOYSA-N 0 0 444.535 4.332 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000027017541 557254358 /nfs/dbraw/zinc/25/43/58/557254358.db2.gz IJTQUXGNNDLPHQ-IBGZPJMESA-N 0 0 435.505 4.143 50 0 IIAARN COc1ccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(C)c2)cc1 ZINC000101114077 557256528 /nfs/dbraw/zinc/25/65/28/557256528.db2.gz GJPNWKAQBQHPFC-WEMUOSSPSA-N 0 0 428.492 4.022 50 0 IIAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101153055 557256965 /nfs/dbraw/zinc/25/69/65/557256965.db2.gz QFHLFVFHJPSHSD-XBZUYWNMSA-N 0 0 431.536 4.140 50 0 IIAARN CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1 ZINC000101160783 557257392 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CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000014092781 557302117 /nfs/dbraw/zinc/30/21/17/557302117.db2.gz ZDJWWBDGMYGHFY-VWLOTQADSA-N 0 0 435.524 4.164 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)cc3C)C(=O)C2)c1 ZINC000101881869 557305717 /nfs/dbraw/zinc/30/57/17/557305717.db2.gz VSBKTYPIJKZDBU-UHFFFAOYSA-N 0 0 428.492 4.203 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(SC)c3)C(=O)C2)c1 ZINC000101881728 557305735 /nfs/dbraw/zinc/30/57/35/557305735.db2.gz ZALGKWFCAXHQFI-UHFFFAOYSA-N 0 0 446.532 4.308 50 0 IIAARN NS(=O)(=O)c1ccc(NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)nc1 ZINC000014123262 557306078 /nfs/dbraw/zinc/30/60/78/557306078.db2.gz DGOKEGKFRPUOOK-QGZVFWFLSA-N 0 0 426.929 4.108 50 0 IIAARN COc1cc(OC)c(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)cc1Cl ZINC000101946931 557308346 /nfs/dbraw/zinc/30/83/46/557308346.db2.gz HGEFGQGOWNLTID-ZDUSSCGKSA-N 0 0 427.888 4.215 50 0 IIAARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNNc1ccc(I)cc1 ZINC000095471567 557313293 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CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000008606644 562957089 /nfs/dbraw/zinc/95/70/89/562957089.db2.gz FRMDPIVXECYXCI-DEOSSOPVSA-N 0 0 442.475 4.027 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCCCCC1 ZINC000008610907 562958340 /nfs/dbraw/zinc/95/83/40/562958340.db2.gz APJNIPKPAGHDGO-UHFFFAOYSA-N 0 0 448.954 4.456 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1C ZINC000008611895 562958777 /nfs/dbraw/zinc/95/87/77/562958777.db2.gz QBAWVGHZELSMQB-UHFFFAOYSA-N 0 0 426.538 4.405 50 0 IIAARN COCCNC(=O)c1c2c(sc1NC(=O)Cc1coc3cc(C)ccc13)CCCC2 ZINC000008611956 562958840 /nfs/dbraw/zinc/95/88/40/562958840.db2.gz XPYIQKURWCYUAG-UHFFFAOYSA-N 0 0 426.538 4.239 50 0 IIAARN COc1cc(Br)c(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000008664612 562960337 /nfs/dbraw/zinc/96/03/37/562960337.db2.gz LGEHGMJWQAKLLI-KRWDZBQOSA-N 0 0 436.346 4.255 50 0 in-vitro IIAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(=O)n2CC(=O)Nc2cccc(F)c2)cc1 ZINC000008680333 562961497 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CC[C@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943062 563019888 /nfs/dbraw/zinc/01/98/88/563019888.db2.gz ZCPLCFCQBVLAGI-OAQYLSRUSA-N 0 0 433.556 4.157 50 0 IIAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2OC)cs1 ZINC000016047540 563020727 /nfs/dbraw/zinc/02/07/27/563020727.db2.gz YJTSNDABJLKQKP-UHFFFAOYSA-N 0 0 426.498 4.294 50 0 IIAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000058160041 563143516 /nfs/dbraw/zinc/14/35/16/563143516.db2.gz HGELTIMYWKGRKV-UHFFFAOYSA-N 0 0 439.943 4.408 50 0 IIAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000018946562 568629044 /nfs/dbraw/zinc/62/90/44/568629044.db2.gz XTYAIOGOUHRCKC-LJQANCHMSA-N 0 0 439.503 4.254 50 0 IIAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948600 568629056 /nfs/dbraw/zinc/62/90/56/568629056.db2.gz JHXNJNGIOHGJDS-UHFFFAOYSA-N 0 0 447.516 4.210 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)c1C2 ZINC000248225739 568634266 /nfs/dbraw/zinc/63/42/66/568634266.db2.gz JDTMCDFRVVHFGF-OAQYLSRUSA-N 0 0 445.523 4.012 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 ZINC000019053146 568634811 /nfs/dbraw/zinc/63/48/11/568634811.db2.gz CQTCIISNLGZTRT-UHFFFAOYSA-N 0 0 430.917 4.224 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000000947804 568643852 /nfs/dbraw/zinc/64/38/52/568643852.db2.gz TWGSIYSTRXVMNF-XMMPIXPASA-N 0 0 434.561 4.366 50 0 IIAARN O=C1S/C(=C/c2cccc(I)c2)C(=O)N1CNc1ccccc1 ZINC000211041528 568645160 /nfs/dbraw/zinc/64/51/60/568645160.db2.gz CFYPODSATIYHFL-XNTDXEJSSA-N 0 0 436.274 4.397 50 0 IIAARN O=C(Nc1cccc(O)c1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959978 568646385 /nfs/dbraw/zinc/64/63/85/568646385.db2.gz JDWCNIKACSXAOM-UHFFFAOYSA-N 0 0 447.878 4.076 50 0 IIAARN CN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1 ZINC000000989607 568649002 /nfs/dbraw/zinc/64/90/02/568649002.db2.gz RWLUAXINPOTMFM-UHFFFAOYSA-N 0 0 426.274 4.094 50 0 IIAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccccc1C(F)(F)F ZINC000001032111 568652579 /nfs/dbraw/zinc/65/25/79/568652579.db2.gz WSAQQBYWWHCDIX-HNNXBMFYSA-N 0 0 431.366 4.070 50 0 IIAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)OC(=O)c2cc(C)nc3ccccc32)nc1C ZINC000001164055 568664527 /nfs/dbraw/zinc/66/45/27/568664527.db2.gz FCESTCPFOKCXSE-QGZVFWFLSA-N 0 0 441.509 4.059 50 0 IIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]12C ZINC000257346985 568730898 /nfs/dbraw/zinc/73/08/98/568730898.db2.gz KQUNCCJVTCFGQE-DCLCEHAPSA-N 0 0 434.573 4.292 50 0 IIAARN CC(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@@]2(C)C1 ZINC000257348232 568731085 /nfs/dbraw/zinc/73/10/85/568731085.db2.gz COKYYNCXGADZHN-GTZXEKJWSA-N 0 0 434.573 4.434 50 0 IIAARN CCCCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000025562067 568735861 /nfs/dbraw/zinc/73/58/61/568735861.db2.gz FQMGKOKYGFVCBV-XMMPIXPASA-N 0 0 426.557 4.068 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc(C)c(C)c31)CCC2 ZINC000001896128 568741980 /nfs/dbraw/zinc/74/19/80/568741980.db2.gz IDAREDIKDFUNFI-UHFFFAOYSA-N 0 0 433.580 4.376 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003212817 568742989 /nfs/dbraw/zinc/74/29/89/568742989.db2.gz HEHOWHXMZNPPQL-UHFFFAOYSA-N 0 0 431.391 4.335 50 0 IIAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc2C1 ZINC000003218321 568743166 /nfs/dbraw/zinc/74/31/66/568743166.db2.gz MXFFMXCDZCSKMS-UHFFFAOYSA-N 0 0 432.973 4.103 50 0 IIAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1Cl ZINC000003352361 568746931 /nfs/dbraw/zinc/74/69/31/568746931.db2.gz PFTUFAHQZBLYSU-LJQANCHMSA-N 0 0 440.714 4.361 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000003501965 568750358 /nfs/dbraw/zinc/75/03/58/568750358.db2.gz ISJONWFHTWBFHZ-UHFFFAOYSA-N 0 0 437.471 4.454 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000003626674 568751932 /nfs/dbraw/zinc/75/19/32/568751932.db2.gz CENICSVIXZHIPJ-KQWNVCNZSA-N 0 0 443.503 4.208 50 0 IIAARN CCOC(=O)c1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000003629237 568752024 /nfs/dbraw/zinc/75/20/24/568752024.db2.gz CDPZNIICOWPLSC-UHFFFAOYSA-N 0 0 447.397 4.378 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000015316623 568755353 /nfs/dbraw/zinc/75/53/53/568755353.db2.gz XDIMSVUYRHCBBQ-INIZCTEOSA-N 0 0 436.961 4.229 50 0 IIAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000004026656 568758734 /nfs/dbraw/zinc/75/87/34/568758734.db2.gz YEHJSCLXMKVPNE-QMLAEXILSA-N 0 0 434.642 4.321 50 0 biogenic IIAARN O=C(NCc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1)c1cccs1 ZINC000078517925 568761903 /nfs/dbraw/zinc/76/19/03/568761903.db2.gz ZCQOHVNDUCYNNG-UHFFFAOYSA-N 0 0 442.544 4.484 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 ZINC000001271912 568775622 /nfs/dbraw/zinc/77/56/22/568775622.db2.gz PUODCBLVQKVECY-INIZCTEOSA-N 0 0 441.944 4.486 50 0 IIAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000263616087 568776924 /nfs/dbraw/zinc/77/69/24/568776924.db2.gz GXQQBMPATFGFCI-LJQANCHMSA-N 0 0 437.496 4.059 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001293799 568778503 /nfs/dbraw/zinc/77/85/03/568778503.db2.gz OWKYODRBEBQYFT-MRXNPFEDSA-N 0 0 444.578 4.118 50 0 IIAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccccc4Cl)c(=O)c32)C1 ZINC000001321028 568779996 /nfs/dbraw/zinc/77/99/96/568779996.db2.gz MGSHEEHCGBSOSH-GFCCVEGCSA-N 0 0 430.961 4.296 50 0 IIAARN CN1c2cccc(Cl)c2[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032106697 568781207 /nfs/dbraw/zinc/78/12/07/568781207.db2.gz MLTFYRQEPGRGLH-OAQYLSRUSA-N 0 0 427.291 4.492 50 0 IIAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019171409 568782355 /nfs/dbraw/zinc/78/23/55/568782355.db2.gz KAKFADBDXSIQQW-BZSNNMDCSA-N 0 0 436.726 4.182 50 0 IIAARN Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)c1 ZINC000004163677 568783016 /nfs/dbraw/zinc/78/30/16/568783016.db2.gz WJYPFSGZFDPSQV-QGZVFWFLSA-N 0 0 427.220 4.259 50 0 IIAARN CN(C)C(=O)CCNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 ZINC000083844053 568783066 /nfs/dbraw/zinc/78/30/66/568783066.db2.gz PSKJIOYFNOBZGR-UHFFFAOYSA-N 0 0 447.358 4.326 50 0 IIAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccncc3)no2)cc1 ZINC000045939264 568783350 /nfs/dbraw/zinc/78/33/50/568783350.db2.gz HHTJZUYVRICRIR-UHFFFAOYSA-N 0 0 433.518 4.493 50 0 IIAARN COc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c(OC)c1 ZINC000001397071 568786060 /nfs/dbraw/zinc/78/60/60/568786060.db2.gz OXZJWDCDKSYUQG-UHFFFAOYSA-N 0 0 433.291 4.473 50 0 IIAARN COc1ccc(CCNC(=O)CSCc2csc(-c3cccc(OC)c3)n2)cc1 ZINC000083944195 568786527 /nfs/dbraw/zinc/78/65/27/568786527.db2.gz DQGPWERARDUPBN-UHFFFAOYSA-N 0 0 428.579 4.419 50 0 IIAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O)C(=O)c1ccccc1 ZINC000001159195 568788198 /nfs/dbraw/zinc/78/81/98/568788198.db2.gz ZVJIQIVSBFRXNU-QFIPXVFZSA-N 0 0 443.455 4.314 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(C)C)n2)ccc1C ZINC000016650547 568791230 /nfs/dbraw/zinc/79/12/30/568791230.db2.gz VHQBVBGXOYCABV-UHFFFAOYSA-N 0 0 432.524 4.329 50 0 IIAARN CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001420042 568791732 /nfs/dbraw/zinc/79/17/32/568791732.db2.gz KCDFKDQFKVSBNA-RUZDIDTESA-N 0 0 445.519 4.045 50 0 IIAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000015496324 568792960 /nfs/dbraw/zinc/79/29/60/568792960.db2.gz DOQYLVFQSNNZBU-ZDUSSCGKSA-N 0 0 427.353 4.269 50 0 IIAARN Cc1[nH]c2c(cccc2F)c1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000001423172 568793547 /nfs/dbraw/zinc/79/35/47/568793547.db2.gz WVASHTRQOJJJRO-JKSUJKDBSA-N 0 0 428.426 4.186 50 0 IIAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000001426358 568793948 /nfs/dbraw/zinc/79/39/48/568793948.db2.gz WNZPEYYQWOLOGI-LMGFAJPXSA-N 0 0 442.902 4.051 50 0 IIAARN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000084286797 568796726 /nfs/dbraw/zinc/79/67/26/568796726.db2.gz HKGKFUXSLUTVKY-UHFFFAOYSA-N 0 0 448.306 4.210 50 0 IIAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000084572941 568798846 /nfs/dbraw/zinc/79/88/46/568798846.db2.gz SVHAHLADEXMKTH-HXUWFJFHSA-N 0 0 430.533 4.427 50 0 IIAARN O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000084579024 568799041 /nfs/dbraw/zinc/79/90/41/568799041.db2.gz IWZCZXATYXCLEW-IAGOWNOFSA-N 0 0 431.355 4.155 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(Cl)cc1Cl ZINC000015617775 568800070 /nfs/dbraw/zinc/80/00/70/568800070.db2.gz QXWHUXOUTJMHIG-UHFFFAOYSA-N 0 0 436.364 4.419 50 0 IIAARN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000084734628 568800471 /nfs/dbraw/zinc/80/04/71/568800471.db2.gz NBWYRUCECUCPDK-IBGZPJMESA-N 0 0 441.915 4.476 50 0 IIAARN CCOc1ccccc1OCCCC(=O)N[C@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000084811035 568801678 /nfs/dbraw/zinc/80/16/78/568801678.db2.gz KTDPRFWEUXJEAV-VFNWGFHPSA-N 0 0 436.346 4.245 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000015671339 568802821 /nfs/dbraw/zinc/80/28/21/568802821.db2.gz FIHFUKOVEMWGHG-UHFFFAOYSA-N 0 0 437.569 4.492 50 0 IIAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3CCC(N)=O)cs2)cc1 ZINC000025956128 568803721 /nfs/dbraw/zinc/80/37/21/568803721.db2.gz HPGKMTCPCXQWTO-UHFFFAOYSA-N 0 0 425.539 4.138 50 0 IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(C[C@@H]2CCCO2)C3=O)o1 ZINC000015675745 568804005 /nfs/dbraw/zinc/80/40/05/568804005.db2.gz ZACJJTLLGUNCBN-DFBJGRDBSA-N 0 0 441.572 4.165 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 ZINC000015681440 568806660 /nfs/dbraw/zinc/80/66/60/568806660.db2.gz RUUCKGFVFAXRRE-UHFFFAOYSA-N 0 0 444.535 4.270 50 0 IIAARN CCOCCCNC(=O)c1ccc(-c2nc(C[S@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682286 568807096 /nfs/dbraw/zinc/80/70/96/568807096.db2.gz YXLLXTUBTFXCMI-WJOKGBTCSA-N 0 0 440.565 4.423 50 0 IIAARN C[C@@H]1CSc2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2NC1=O ZINC000015730695 568814079 /nfs/dbraw/zinc/81/40/79/568814079.db2.gz ZWYHCYKBLCQHOA-SECBINFHSA-N 0 0 445.335 4.069 50 0 IIAARN O=c1cc(CSc2n[nH]c(-c3ccccc3F)n2)nc2sc(C3CCCCC3)nn21 ZINC000015731929 568814985 /nfs/dbraw/zinc/81/49/85/568814985.db2.gz VWPKPHQFTRVMIR-UHFFFAOYSA-N 0 0 442.545 4.415 50 0 IIAARN COc1ccc(OC)c(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c1 ZINC000015735974 568816894 /nfs/dbraw/zinc/81/68/94/568816894.db2.gz VGUBGRWWKDURSN-UHFFFAOYSA-N 0 0 433.512 4.275 50 0 IIAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000001467307 568820388 /nfs/dbraw/zinc/82/03/88/568820388.db2.gz NVLQDPPFDSMRFC-OAQYLSRUSA-N 0 0 426.538 4.020 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000001467281 568820452 /nfs/dbraw/zinc/82/04/52/568820452.db2.gz ZPTIBPFJHHJPAE-JOCHJYFZSA-N 0 0 440.565 4.362 50 0 IIAARN COc1cccc(Cn2c(C)c(C[NH2+]CCCN(C)c3ccccc3)c(C(=O)[O-])c2C)c1 ZINC000015777096 568823785 /nfs/dbraw/zinc/82/37/85/568823785.db2.gz PHTYWVLDPKIFQF-UHFFFAOYSA-N 0 0 435.568 4.476 50 0 IIAARN O=C(CCC(=O)c1ccc(Br)cc1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000026035755 568825576 /nfs/dbraw/zinc/82/55/76/568825576.db2.gz STKJJBAVQVYQQC-UHFFFAOYSA-N 0 0 429.314 4.077 50 0 IIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cc(Cl)ccc1OC ZINC000015781763 568826162 /nfs/dbraw/zinc/82/61/62/568826162.db2.gz FWMGXDDJXHJNSO-QGZVFWFLSA-N 0 0 448.903 4.060 50 0 IIAARN COc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 ZINC000026045285 568826402 /nfs/dbraw/zinc/82/64/02/568826402.db2.gz RLAFZBVLMFXZDC-UHFFFAOYSA-N 0 0 436.533 4.281 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C ZINC000006110630 568828497 /nfs/dbraw/zinc/82/84/97/568828497.db2.gz KYKKHHZHPNXOSF-ZFWWWQNUSA-N 0 0 427.570 4.091 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)c1ccccc1S2 ZINC000015784960 568829776 /nfs/dbraw/zinc/82/97/76/568829776.db2.gz CHLKKLXBMNDAQZ-UHFFFAOYSA-N 0 0 436.464 4.362 50 0 IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2cccc(OC)c2)cc(=O)c1O ZINC000085876743 568838577 /nfs/dbraw/zinc/83/85/77/568838577.db2.gz HKVKWGWLBJTYSG-LJQANCHMSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1 ZINC000085878445 568838776 /nfs/dbraw/zinc/83/87/76/568838776.db2.gz MBKIFUBFTJSHFS-INIZCTEOSA-N 0 0 446.459 4.393 50 0 biogenic IIAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085878501 568838790 /nfs/dbraw/zinc/83/87/90/568838790.db2.gz JBYWITBQUNXHMF-IBGZPJMESA-N 0 0 426.490 4.341 50 0 biogenic IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCCOc3cc(C)cc(C)c3)c2)S1 ZINC000015833040 568842545 /nfs/dbraw/zinc/84/25/45/568842545.db2.gz NKTOWICKASGOOR-QFIPXVFZSA-N 0 0 441.553 4.152 50 0 IIAARN Cc1ccc(C)c(N2CCN(c3c(C)c(C)nc4nc(Cc5cccc(F)c5)nn43)CC2)c1 ZINC000015865152 568849959 /nfs/dbraw/zinc/84/99/59/568849959.db2.gz PHWFIZBCECZZID-UHFFFAOYSA-N 0 0 444.558 4.414 50 0 IIAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1ccc(F)c(Cl)c1 ZINC000015867209 568850747 /nfs/dbraw/zinc/85/07/47/568850747.db2.gz DUXOATITEBQTGS-UHFFFAOYSA-N 0 0 449.851 4.369 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccccc4F)CC3)[nH]c2c1 ZINC000015868683 568852263 /nfs/dbraw/zinc/85/22/63/568852263.db2.gz NGTCRIZZSGADGP-INIZCTEOSA-N 0 0 437.515 4.120 50 0 IIAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nn1 ZINC000015880854 568854480 /nfs/dbraw/zinc/85/44/80/568854480.db2.gz IXOFHDOGRCHUPR-UHFFFAOYSA-N 0 0 435.427 4.208 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1F ZINC000015882223 568856659 /nfs/dbraw/zinc/85/66/59/568856659.db2.gz PESSKEUPVWMDQN-UHFFFAOYSA-N 0 0 442.516 4.082 50 0 IIAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1cccc2ccccc21 ZINC000015882750 568857197 /nfs/dbraw/zinc/85/71/97/568857197.db2.gz DLWOXWKICLUCJB-UHFFFAOYSA-N 0 0 442.544 4.059 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 ZINC000015882891 568857380 /nfs/dbraw/zinc/85/73/80/568857380.db2.gz OGRBVWVZSBJNGF-UHFFFAOYSA-N 0 0 425.282 4.114 50 0 IIAARN CC(C)n1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccccn2)c2ccccc21 ZINC000575442978 568868024 /nfs/dbraw/zinc/86/80/24/568868024.db2.gz BPERWKOXUGSTOD-OAQYLSRUSA-N 0 0 436.556 4.369 50 0 IIAARN Cc1cc(OC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000016042600 568868430 /nfs/dbraw/zinc/86/84/30/568868430.db2.gz PSGAMIJTYDZXDY-HSZRJFAPSA-N 0 0 449.503 4.447 50 0 IIAARN CCOc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000016043394 568868466 /nfs/dbraw/zinc/86/84/66/568868466.db2.gz GYAHQIZTCJKGQQ-VWLOTQADSA-N 0 0 434.492 4.093 50 0 IIAARN CSCc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)o1 ZINC000012939934 568868482 /nfs/dbraw/zinc/86/84/82/568868482.db2.gz NFEUULUYYYNCNY-UHFFFAOYSA-N 0 0 449.579 4.091 50 0 IIAARN CC(C)OC(=O)C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1Cl ZINC000012948712 568871618 /nfs/dbraw/zinc/87/16/18/568871618.db2.gz SMANTCFBFNTPDX-NRFANRHFSA-N 0 0 425.916 4.398 50 0 IIAARN CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1 ZINC000016327988 568877031 /nfs/dbraw/zinc/87/70/31/568877031.db2.gz ZARSXTJJUFWFIY-UHFFFAOYSA-N 0 0 430.603 4.488 50 0 IIAARN O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615701 568881296 /nfs/dbraw/zinc/88/12/96/568881296.db2.gz FMKMDRVPBJRXME-FQEVSTJZSA-N 0 0 448.972 4.058 50 0 IIAARN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cccc(Oc2ccc(F)cc2)c1 ZINC000575616742 568881684 /nfs/dbraw/zinc/88/16/84/568881684.db2.gz MIYRMDRQLGNPJN-CQSZACIVSA-N 0 0 434.393 4.264 50 0 IIAARN O=C(c1ccccc1SC(F)F)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575619091 568882798 /nfs/dbraw/zinc/88/27/98/568882798.db2.gz ZYIYEASYGOQMQN-KRWDZBQOSA-N 0 0 429.485 4.142 50 0 IIAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000229718813 568886826 /nfs/dbraw/zinc/88/68/26/568886826.db2.gz TUEMBVIPMIERTC-JHJVBQTASA-N 0 0 433.268 4.039 50 0 IIAARN COc1ccc(-c2nn3c(c2C)NC(=O)[C@H]3CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000090594464 568889124 /nfs/dbraw/zinc/88/91/24/568889124.db2.gz SJIUJMSORSQYSR-QGZVFWFLSA-N 0 0 444.413 4.408 50 0 IIAARN Cc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)CC2=O)cc1 ZINC000090607142 568889631 /nfs/dbraw/zinc/88/96/31/568889631.db2.gz RBHQEIXASHAAKQ-FQEVSTJZSA-N 0 0 443.551 4.038 50 0 IIAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1(c2ccccc2)CCOCC1 ZINC000090607139 568889765 /nfs/dbraw/zinc/88/97/65/568889765.db2.gz VLKQHPRMJUQWGP-UHFFFAOYSA-N 0 0 430.552 4.425 50 0 IIAARN COc1cc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)ccc1OCc1ccccc1 ZINC000013007745 568899519 /nfs/dbraw/zinc/89/95/19/568899519.db2.gz ACYYWLFFCAQJTQ-NRFANRHFSA-N 0 0 448.519 4.036 50 0 IIAARN COc1ccc(OC)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 ZINC000013011784 568901083 /nfs/dbraw/zinc/90/10/83/568901083.db2.gz GBHXRCLTKFBZSQ-LLVKDONJSA-N 0 0 428.710 4.203 50 0 IIAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccc(Br)s3)cs1)CS2 ZINC000013020505 568901977 /nfs/dbraw/zinc/90/19/77/568901977.db2.gz CUDVVTPNDZGBLV-PSLIRLAXSA-N 0 0 444.401 4.027 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000013020306 568902058 /nfs/dbraw/zinc/90/20/58/568902058.db2.gz LJYROUNPDJFHIX-UHFFFAOYSA-N 0 0 429.476 4.327 50 0 IIAARN COC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000013019712 568902097 /nfs/dbraw/zinc/90/20/97/568902097.db2.gz PRKZBVBKSHWQDG-UHFFFAOYSA-N 0 0 425.488 4.315 50 0 IIAARN CCCCCOC(=O)c1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001781090 568907104 /nfs/dbraw/zinc/90/71/04/568907104.db2.gz CHPZDVRMXBKHTG-NRFANRHFSA-N 0 0 436.508 4.293 50 0 IIAARN Cc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001785641 568907302 /nfs/dbraw/zinc/90/73/02/568907302.db2.gz UVUVWVFKYMNBPB-UHFFFAOYSA-N 0 0 444.560 4.429 50 0 IIAARN CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000001808153 568908829 /nfs/dbraw/zinc/90/88/29/568908829.db2.gz HUMXNRYZBWKJJV-UHFFFAOYSA-N 0 0 425.437 4.406 50 0 biogenic IIAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000137336300 568909107 /nfs/dbraw/zinc/90/91/07/568909107.db2.gz ZOJIDIFKCOZITF-KMDXXIMOSA-N 0 0 428.488 4.309 50 0 IIAARN C[C@H](NC(=O)CN1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000242106181 568912535 /nfs/dbraw/zinc/91/25/35/568912535.db2.gz WHRKBRQAMNEMOE-HKUYNNGSSA-N 0 0 428.964 4.193 50 0 IIAARN COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965577 568912588 /nfs/dbraw/zinc/91/25/88/568912588.db2.gz UTYSQDNUTFAYOB-UGKGYDQZSA-N 0 0 434.374 4.345 50 0 IIAARN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000245242143 568913271 /nfs/dbraw/zinc/91/32/71/568913271.db2.gz CNEAOBOAPPBZSD-LZYPDUGYSA-N 0 0 438.568 4.324 50 0 IIAARN C[C@@H]1CCC[C@H](N2C(=O)N[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C2=O)[C@H]1C ZINC000245254803 568913666 /nfs/dbraw/zinc/91/36/66/568913666.db2.gz CDTOJBWUWRECHM-SUVVTNLASA-N 0 0 431.499 4.303 50 0 IIAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256510 568913948 /nfs/dbraw/zinc/91/39/48/568913948.db2.gz QFBQOHYYDQZFSX-RDVQZDAUSA-N 0 0 434.561 4.313 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000001934567 568923448 /nfs/dbraw/zinc/92/34/48/568923448.db2.gz BHKMPDMGHXUUKQ-UHFFFAOYSA-N 0 0 442.537 4.337 50 0 IIAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)Nc3ccccc3C)c2)C(C(=O)OC)=C1C ZINC000016611196 568925782 /nfs/dbraw/zinc/92/57/82/568925782.db2.gz POUWWTOLTLDRAQ-FQEVSTJZSA-N 0 0 438.553 4.337 50 0 IIAARN COC(=O)c1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471920 568929849 /nfs/dbraw/zinc/92/98/49/568929849.db2.gz WUJXZMBMYKRTRP-UHFFFAOYSA-N 0 0 425.485 4.093 50 0 IIAARN O=C(Nc1ccc(F)cc1F)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000064473111 568930338 /nfs/dbraw/zinc/93/03/38/568930338.db2.gz VOSUMJATOSNSAE-UHFFFAOYSA-N 0 0 425.414 4.259 50 0 IIAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035891638 568930923 /nfs/dbraw/zinc/93/09/23/568930923.db2.gz CHXODKVCLQUBLX-QFIPXVFZSA-N 0 0 433.552 4.309 50 0 IIAARN CC(=O)c1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1 ZINC000064565894 568932694 /nfs/dbraw/zinc/93/26/94/568932694.db2.gz JZPOEBSOVDSIFK-UHFFFAOYSA-N 0 0 436.487 4.069 50 0 IIAARN CCc1ccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1 ZINC000064566550 568933516 /nfs/dbraw/zinc/93/35/16/568933516.db2.gz YEBQAOZVNOJYCM-UHFFFAOYSA-N 0 0 446.486 4.429 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604943 568939057 /nfs/dbraw/zinc/93/90/57/568939057.db2.gz JVTLNWPGGKBPDQ-OAQYLSRUSA-N 0 0 438.915 4.420 50 0 IIAARN Cc1cccc(-c2nc3sc(N(C)CC(=O)N4CCCCC4)nn3c2NC(C)(C)C)c1 ZINC000064703691 568944520 /nfs/dbraw/zinc/94/45/20/568944520.db2.gz SBTFZOPDSKWZRD-UHFFFAOYSA-N 0 0 440.617 4.425 50 0 IIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)c1 ZINC000036076924 568946567 /nfs/dbraw/zinc/94/65/67/568946567.db2.gz REWIJZSRHRZPOC-GYNVMNKMSA-N 0 0 434.536 4.403 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036083489 568947209 /nfs/dbraw/zinc/94/72/09/568947209.db2.gz KBWBDIDYEZRGEV-OAQYLSRUSA-N 0 0 442.537 4.009 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083676 568947469 /nfs/dbraw/zinc/94/74/69/568947469.db2.gz SYJNOSPIBZYJQW-HXUWFJFHSA-N 0 0 432.879 4.462 50 0 IIAARN O=C(Cn1cc(-c2ccccc2)c(N2CCSCC2)n1)NCc1ccccc1Cl ZINC000064747928 568950556 /nfs/dbraw/zinc/95/05/56/568950556.db2.gz SNAITUZXZDIZTI-UHFFFAOYSA-N 0 0 426.973 4.073 50 0 IIAARN CCCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccc(OC)cc1OC)CC2 ZINC000064754473 568950771 /nfs/dbraw/zinc/95/07/71/568950771.db2.gz MXIZETLYHOEDKN-UHFFFAOYSA-N 0 0 448.519 4.326 50 0 IIAARN COCCNC(=O)c1cccc(CSc2nc(N3CCCC3)cc(C(C)(C)C)n2)c1 ZINC000006695712 568952436 /nfs/dbraw/zinc/95/24/36/568952436.db2.gz BTIOVHCYYMRZOL-UHFFFAOYSA-N 0 0 428.602 4.043 50 0 IIAARN Cc1ccc(OCc2nc(CN(CCN3CCOCC3)C(=O)CC(C)C)cs2)cc1C ZINC000036106837 568953910 /nfs/dbraw/zinc/95/39/10/568953910.db2.gz OUAVIDOJGGYIBL-UHFFFAOYSA-N 0 0 445.629 4.046 50 0 IIAARN COCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)CC(C)C ZINC000036114989 568955452 /nfs/dbraw/zinc/95/54/52/568955452.db2.gz CPFDJOZQLWWHLY-UHFFFAOYSA-N 0 0 436.574 4.151 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)[C@H](C)CC ZINC000036117767 568955927 /nfs/dbraw/zinc/95/59/27/568955927.db2.gz GJPBZRTYGVQXRO-IEBWSBKVSA-N 0 0 444.597 4.299 50 0 IIAARN COc1ccc(CCNC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000064787983 568956254 /nfs/dbraw/zinc/95/62/54/568956254.db2.gz NRERLMCSKPWDGZ-UHFFFAOYSA-N 0 0 439.924 4.058 50 0 biogenic IIAARN CCc1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788100 568956489 /nfs/dbraw/zinc/95/64/89/568956489.db2.gz NWJYYDRIUBMLLA-XMMPIXPASA-N 0 0 443.547 4.123 50 0 IIAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2c(C)cc(C)cc2C)n(C)c(=O)n(C)c3=O)c1 ZINC000064788253 568956652 /nfs/dbraw/zinc/95/66/52/568956652.db2.gz HFJFPKGCKRCTTN-VWLOTQADSA-N 0 0 443.547 4.059 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC1CC1 ZINC000036120675 568957797 /nfs/dbraw/zinc/95/77/97/568957797.db2.gz IOXHTNWZESFSOA-IBGZPJMESA-N 0 0 430.545 4.041 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC1CC1 ZINC000036120667 568957852 /nfs/dbraw/zinc/95/78/52/568957852.db2.gz DUOKZTCIPUIAMF-FQEVSTJZSA-N 0 0 444.572 4.287 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036121726 568958047 /nfs/dbraw/zinc/95/80/47/568958047.db2.gz VNPRHMSAOJEUCK-HXUWFJFHSA-N 0 0 430.545 4.041 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)[C@@H](C)CC ZINC000036122673 568958208 /nfs/dbraw/zinc/95/82/08/568958208.db2.gz FIAXRDHXOBODSL-GHTZIAJQSA-N 0 0 443.613 4.473 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)NC(C)C)C(C)C)cc1 ZINC000036122806 568958299 /nfs/dbraw/zinc/95/82/99/568958299.db2.gz UYPKLDGVRXNNEH-OAQYLSRUSA-N 0 0 443.613 4.390 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036122695 568958414 /nfs/dbraw/zinc/95/84/14/568958414.db2.gz HHYPEUPIDLZULO-HXUWFJFHSA-N 0 0 429.586 4.085 50 0 IIAARN COCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000006709007 568958879 /nfs/dbraw/zinc/95/88/79/568958879.db2.gz SPZQOCBJZAHNEJ-UHFFFAOYSA-N 0 0 431.602 4.478 50 0 IIAARN CCCc1cc(Nc2ccc(C(=O)NCC(C)C)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791565 568959024 /nfs/dbraw/zinc/95/90/24/568959024.db2.gz BCPYYYJVKNBVHT-UHFFFAOYSA-N 0 0 429.528 4.268 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)NCc3ccccc3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791591 568959148 /nfs/dbraw/zinc/95/91/48/568959148.db2.gz SOXCCAQZUWFQMC-UHFFFAOYSA-N 0 0 435.491 4.168 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000064792278 568959185 /nfs/dbraw/zinc/95/91/85/568959185.db2.gz HVDVBWPALSQWCE-UHFFFAOYSA-N 0 0 449.942 4.419 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1 ZINC000064793398 568959573 /nfs/dbraw/zinc/95/95/73/568959573.db2.gz HCDIIFZCQHDMAD-XMMPIXPASA-N 0 0 442.567 4.189 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000064793256 568959639 /nfs/dbraw/zinc/95/96/39/568959639.db2.gz JGNBTTRLTFIFBM-GBXCKJPGSA-N 0 0 442.567 4.141 50 0 IIAARN COCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006722115 568962928 /nfs/dbraw/zinc/96/29/28/568962928.db2.gz OKUGQZGHJQLEBL-KRWDZBQOSA-N 0 0 429.536 4.164 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)NC(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006722654 568963146 /nfs/dbraw/zinc/96/31/46/568963146.db2.gz ZROBUJVTMFNMJB-SFHVURJKSA-N 0 0 426.561 4.019 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817246 568964370 /nfs/dbraw/zinc/96/43/70/568964370.db2.gz WAGFVEXDGUKTTB-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817286 568964486 /nfs/dbraw/zinc/96/44/86/568964486.db2.gz UGIUSZLNFMGJST-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN Cc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000064816206 568965048 /nfs/dbraw/zinc/96/50/48/568965048.db2.gz HOALQKFWVZEOJU-SANMLTNESA-N 0 0 440.503 4.187 50 0 IIAARN Cc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064816207 568965067 /nfs/dbraw/zinc/96/50/67/568965067.db2.gz HOALQKFWVZEOJU-AREMUKBSSA-N 0 0 440.503 4.187 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064816250 568965104 /nfs/dbraw/zinc/96/51/04/568965104.db2.gz IKOOONSRNKHQJZ-VWLOTQADSA-N 0 0 432.524 4.238 50 0 IIAARN COc1cccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000064819137 568966009 /nfs/dbraw/zinc/96/60/09/568966009.db2.gz FDEPETZOVSPKSK-UHFFFAOYSA-N 0 0 431.418 4.011 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)cc1 ZINC000064819380 568966170 /nfs/dbraw/zinc/96/61/70/568966170.db2.gz FFQPBGPZHOPQGC-UHFFFAOYSA-N 0 0 438.531 4.224 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819358 568966221 /nfs/dbraw/zinc/96/62/21/568966221.db2.gz LMZFRNVGCLDQCU-UHFFFAOYSA-N 0 0 442.494 4.055 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1F ZINC000036165900 568968394 /nfs/dbraw/zinc/96/83/94/568968394.db2.gz XJLQOUBYRHRYGJ-QHCPKHFHSA-N 0 0 428.529 4.155 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1cccc(F)c1 ZINC000036166255 568968502 /nfs/dbraw/zinc/96/85/02/568968502.db2.gz KYAIWXHDDDRKRS-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN CN(CCc1noc(COc2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000064840495 568969869 /nfs/dbraw/zinc/96/98/69/568969869.db2.gz IVGNFLVSDRTDBR-UHFFFAOYSA-N 0 0 449.280 4.257 50 0 IIAARN CC[C@@H](C(=O)Nc1ccccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842409 568970912 /nfs/dbraw/zinc/97/09/12/568970912.db2.gz JRVTYFFUAFFGFL-IBGZPJMESA-N 0 0 432.480 4.267 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(C)c1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842780 568971054 /nfs/dbraw/zinc/97/10/54/568971054.db2.gz RKBDPAPWQWUUMC-LJQANCHMSA-N 0 0 432.480 4.267 50 0 IIAARN O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848104 568971321 /nfs/dbraw/zinc/97/13/21/568971321.db2.gz LYTJNVGRNDBUPK-UHFFFAOYSA-N 0 0 431.920 4.375 50 0 biogenic IIAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000064848011 568971432 /nfs/dbraw/zinc/97/14/32/568971432.db2.gz SHWGLORIVGHAMC-HNNXBMFYSA-N 0 0 429.492 4.362 50 0 IIAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)s2)no1 ZINC000064844643 568971866 /nfs/dbraw/zinc/97/18/66/568971866.db2.gz ZLUPRXPISXHDLL-UHFFFAOYSA-N 0 0 433.433 4.368 50 0 IIAARN COc1ccc(OCC(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064858501 568972259 /nfs/dbraw/zinc/97/22/59/568972259.db2.gz AIHITLGFHRXCKL-UHFFFAOYSA-N 0 0 437.927 4.462 50 0 biogenic IIAARN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862097 568973858 /nfs/dbraw/zinc/97/38/58/568973858.db2.gz NUTCIUGYXIOBRT-UHFFFAOYSA-N 0 0 427.570 4.455 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(C)cc4)sc3C2)cc1 ZINC000064868323 568975496 /nfs/dbraw/zinc/97/54/96/568975496.db2.gz AODHFXCYIYWWRC-UHFFFAOYSA-N 0 0 441.578 4.214 50 0 IIAARN CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCCC(C)C)cc1 ZINC000036216747 568977755 /nfs/dbraw/zinc/97/77/55/568977755.db2.gz NRXKYPGLONLLKT-PKTZIBPZSA-N 0 0 437.540 4.178 50 0 IIAARN COc1cc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc(OC)c1 ZINC000064871902 568977921 /nfs/dbraw/zinc/97/79/21/568977921.db2.gz YKDUTDAKTSRVKI-UHFFFAOYSA-N 0 0 446.550 4.151 50 0 IIAARN Cc1ccc(-c2nnc3c(=O)n(CC(=O)Nc4c(C)cccc4C)c4ccccc4n23)cc1 ZINC000064871774 568977933 /nfs/dbraw/zinc/97/79/33/568977933.db2.gz CCBSJWUJEQNEEH-UHFFFAOYSA-N 0 0 437.503 4.275 50 0 IIAARN Cc1ccc(-c2nnc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)c4ccccc4n23)cc1 ZINC000064871764 568977935 /nfs/dbraw/zinc/97/79/35/568977935.db2.gz YCWPLEMAONQCCB-UHFFFAOYSA-N 0 0 443.894 4.312 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)c1 ZINC000064871855 568977947 /nfs/dbraw/zinc/97/79/47/568977947.db2.gz JERLTFQFWDQVQP-UHFFFAOYSA-N 0 0 444.534 4.002 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873427 568978449 /nfs/dbraw/zinc/97/84/49/568978449.db2.gz RNAIEWARWRZIIZ-UHFFFAOYSA-N 0 0 447.441 4.020 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000064872215 568978472 /nfs/dbraw/zinc/97/84/72/568978472.db2.gz KUAOZDICUMEATG-INIZCTEOSA-N 0 0 444.578 4.463 50 0 IIAARN CC(C)Cn1c2ccc(-c3noc([C@@H](C)Oc4cccc(Cl)c4)n3)cc2[nH]c(=O)c1=O ZINC000064890942 568981005 /nfs/dbraw/zinc/98/10/05/568981005.db2.gz PVWQYCOJMJNMST-CYBMUJFWSA-N 0 0 440.887 4.189 50 0 IIAARN COc1ccc(Cc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1OC ZINC000064890502 568981318 /nfs/dbraw/zinc/98/13/18/568981318.db2.gz RWKQKJQUHVAIEU-UHFFFAOYSA-N 0 0 446.507 4.478 50 0 IIAARN CCc1ccc(C(=O)N2CCN([C@H](C(=O)N[C@H](C)c3ccccc3)C3CCCC3)CC2)cc1 ZINC000036252309 568984056 /nfs/dbraw/zinc/98/40/56/568984056.db2.gz DWUYEQJGMLJNDQ-RLWLMLJZSA-N 0 0 447.623 4.443 50 0 IIAARN CC[C@@H](C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036252120 568984121 /nfs/dbraw/zinc/98/41/21/568984121.db2.gz OZBNJFSFKBWMHM-FOIQADDNSA-N 0 0 440.415 4.225 50 0 IIAARN CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036254171 568984799 /nfs/dbraw/zinc/98/47/99/568984799.db2.gz PLUFDMNIROIYNU-HYBUGGRVSA-N 0 0 441.660 4.463 50 0 IIAARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036254175 568984825 /nfs/dbraw/zinc/98/48/25/568984825.db2.gz PLUFDMNIROIYNU-GBXCKJPGSA-N 0 0 441.660 4.463 50 0 IIAARN O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1 ZINC000064919350 568985248 /nfs/dbraw/zinc/98/52/48/568985248.db2.gz NKCXPBAZZWYBAT-UHFFFAOYSA-N 0 0 427.483 4.036 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928517 568987601 /nfs/dbraw/zinc/98/76/01/568987601.db2.gz ZBBODBMWKMBQLN-MRXNPFEDSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928810 568987771 /nfs/dbraw/zinc/98/77/71/568987771.db2.gz JSAPTSLHVDYAIM-SFHVURJKSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3c(F)cccc3F)s2)cc1 ZINC000064930114 568988403 /nfs/dbraw/zinc/98/84/03/568988403.db2.gz CPHAWSVJLJFDPO-INIZCTEOSA-N 0 0 428.464 4.354 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930111 568988517 /nfs/dbraw/zinc/98/85/17/568988517.db2.gz REUIXFDERBNCRM-IBGZPJMESA-N 0 0 436.537 4.475 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681220 568992748 /nfs/dbraw/zinc/99/27/48/568992748.db2.gz JFTVCSAVXQZJAX-UHFFFAOYSA-N 0 0 448.404 4.367 50 0 IIAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302441 568994178 /nfs/dbraw/zinc/99/41/78/568994178.db2.gz WDVBEMWGLFVRDD-NRFANRHFSA-N 0 0 439.556 4.201 50 0 IIAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](C)O ZINC000036303651 568995151 /nfs/dbraw/zinc/99/51/51/568995151.db2.gz XJWHTPPXNZFISO-QGZVFWFLSA-N 0 0 429.948 4.456 50 0 IIAARN CCc1cc(N(CC)CC)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC000006802001 568995358 /nfs/dbraw/zinc/99/53/58/568995358.db2.gz MPPZPOHYQDXUET-FQEVSTJZSA-N 0 0 428.602 4.086 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311263 568997056 /nfs/dbraw/zinc/99/70/56/568997056.db2.gz UIDTZTSOOCXMOF-QFIPXVFZSA-N 0 0 443.950 4.434 50 0 IIAARN COc1cc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc(OC)c1OC ZINC000064955981 568998674 /nfs/dbraw/zinc/99/86/74/568998674.db2.gz LAXHVZWHUZJJAW-UHFFFAOYSA-N 0 0 445.519 4.349 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)c2ccccc2S1 ZINC000169682537 568999272 /nfs/dbraw/zinc/99/92/72/568999272.db2.gz HNAKGHHEECNNNM-ZIAGYGMSSA-N 0 0 446.619 4.150 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3ccc(Br)cc3)C2)c1 ZINC000036314974 568999433 /nfs/dbraw/zinc/99/94/33/568999433.db2.gz BHQRHPOJFYSUKW-SFHVURJKSA-N 0 0 434.330 4.288 50 0 IIAARN Cc1ccc(Cc2nnc(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)[nH]2)cc1 ZINC000064969633 569076203 /nfs/dbraw/zinc/07/62/03/569076203.db2.gz CUDDJXBINZQJPS-UHFFFAOYSA-N 0 0 438.597 4.273 50 0 IIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccccc3C)c3ccccc32)cc1 ZINC000064971506 569076763 /nfs/dbraw/zinc/07/67/63/569076763.db2.gz XQVKPQLAHYOVCV-UHFFFAOYSA-N 0 0 442.519 4.005 50 0 IIAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cccc(F)c4)c3=O)n2)cc1 ZINC000064971780 569076822 /nfs/dbraw/zinc/07/68/22/569076822.db2.gz IAUNGBPSMQELPL-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1C ZINC000064972256 569076950 /nfs/dbraw/zinc/07/69/50/569076950.db2.gz JDVAXYKRBJEMRW-HSZRJFAPSA-N 0 0 438.524 4.197 50 0 IIAARN COc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1 ZINC000064977423 569077141 /nfs/dbraw/zinc/07/71/41/569077141.db2.gz YHMNEVJFNQLZTQ-UHFFFAOYSA-N 0 0 430.439 4.322 50 0 IIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1OC ZINC000064977528 569077510 /nfs/dbraw/zinc/07/75/10/569077510.db2.gz VEOCORAKZZVERR-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)cc2C)c(C)n3C)cc1 ZINC000064977720 569077627 /nfs/dbraw/zinc/07/76/27/569077627.db2.gz CEPVPZYUNHVFGK-UHFFFAOYSA-N 0 0 444.535 4.205 50 0 IIAARN COc1cccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000064978120 569077690 /nfs/dbraw/zinc/07/76/90/569077690.db2.gz QBNBBDFLJPNQSK-UHFFFAOYSA-N 0 0 434.923 4.410 50 0 IIAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(C)cc4C)c(=O)n3n2)c1 ZINC000064977907 569077692 /nfs/dbraw/zinc/07/76/92/569077692.db2.gz NNNRJXZEHRJUSC-UHFFFAOYSA-N 0 0 438.487 4.220 50 0 IIAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000006820985 569077788 /nfs/dbraw/zinc/07/77/88/569077788.db2.gz YHKVMXUCLXJFQD-UHFFFAOYSA-N 0 0 427.570 4.104 50 0 IIAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)c2)on1 ZINC000064979646 569078180 /nfs/dbraw/zinc/07/81/80/569078180.db2.gz UBKAYJOTDACYEI-UHFFFAOYSA-N 0 0 425.554 4.086 50 0 IIAARN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC3(CC2)OCCO3)cc1 ZINC000036342501 569079491 /nfs/dbraw/zinc/07/94/91/569079491.db2.gz SIPVJJIWAWXIQX-RUZDIDTESA-N 0 0 447.579 4.128 50 0 IIAARN Cc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985658 569081991 /nfs/dbraw/zinc/08/19/91/569081991.db2.gz GVHWWUXQFIJDDX-OAQYLSRUSA-N 0 0 442.924 4.243 50 0 IIAARN CCN(C)S(=O)(=O)c1cc2c(cc1Oc1cccnc1)Oc1ccc(C)cc1NC2=O ZINC000064986797 569082360 /nfs/dbraw/zinc/08/23/60/569082360.db2.gz UVQXKNFXOBUYBC-UHFFFAOYSA-N 0 0 439.493 4.181 50 0 IIAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000064987025 569082546 /nfs/dbraw/zinc/08/25/46/569082546.db2.gz AVXQZXPKGJXYCX-UHFFFAOYSA-N 0 0 446.425 4.172 50 0 IIAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)o2)cc1 ZINC000064987813 569082584 /nfs/dbraw/zinc/08/25/84/569082584.db2.gz SCXYYYHYAYCLFG-UHFFFAOYSA-N 0 0 447.944 4.486 50 0 IIAARN Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(Cl)cc3)n1C)OCCCO2 ZINC000064987131 569082598 /nfs/dbraw/zinc/08/25/98/569082598.db2.gz MYHHPWHLRFWUNR-UHFFFAOYSA-N 0 0 444.944 4.336 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O)C1CCCCC1 ZINC000064987671 569082670 /nfs/dbraw/zinc/08/26/70/569082670.db2.gz KADCADOLODPOOW-UHFFFAOYSA-N 0 0 446.551 4.338 50 0 IIAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O)C1CCCCC1 ZINC000064987665 569082678 /nfs/dbraw/zinc/08/26/78/569082678.db2.gz ACDHTGWUNMSYJX-UHFFFAOYSA-N 0 0 432.524 4.029 50 0 IIAARN COc1ccccc1-c1nnc(-c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC000064987937 569082782 /nfs/dbraw/zinc/08/27/82/569082782.db2.gz NIWXETLHVWHPRX-UHFFFAOYSA-N 0 0 427.526 4.285 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC(N2CCN(Cc3cccc(C)c3)C2=O)CC1 ZINC000064989034 569082948 /nfs/dbraw/zinc/08/29/48/569082948.db2.gz YVHODRSITHXESZ-UHFFFAOYSA-N 0 0 436.556 4.328 50 0 IIAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000064990073 569083150 /nfs/dbraw/zinc/08/31/50/569083150.db2.gz CEFPJCVGKUOAIT-UHFFFAOYSA-N 0 0 428.532 4.456 50 0 IIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 ZINC000064999424 569085813 /nfs/dbraw/zinc/08/58/13/569085813.db2.gz SQNZDBDFNNEUOY-UHFFFAOYSA-N 0 0 443.404 4.205 50 0 IIAARN COc1ccccc1CNC(=O)c1c2c(cn(-c3ccc(C)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000350 569085921 /nfs/dbraw/zinc/08/59/21/569085921.db2.gz DPBUFTXYVNOPES-UHFFFAOYSA-N 0 0 444.531 4.240 50 0 IIAARN COc1ccc(CNC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000065000164 569085923 /nfs/dbraw/zinc/08/59/23/569085923.db2.gz ABBUOMIMBMXEJW-UHFFFAOYSA-N 0 0 448.494 4.070 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 ZINC000064999554 569086163 /nfs/dbraw/zinc/08/61/63/569086163.db2.gz JSKTYJOJHFVIHE-UHFFFAOYSA-N 0 0 442.562 4.461 50 0 IIAARN CCOCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005511 569087115 /nfs/dbraw/zinc/08/71/15/569087115.db2.gz NAXIAUALDVANFH-UHFFFAOYSA-N 0 0 449.551 4.280 50 0 IIAARN O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCc1ccc(F)cc1 ZINC000065005882 569087294 /nfs/dbraw/zinc/08/72/94/569087294.db2.gz NAQHEMVADBITIF-UHFFFAOYSA-N 0 0 435.499 4.403 50 0 IIAARN CCOc1ccccc1Nc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)nn1 ZINC000065009193 569087906 /nfs/dbraw/zinc/08/79/06/569087906.db2.gz LZNVJGRYRVIPOG-UHFFFAOYSA-N 0 0 438.553 4.379 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1Cl ZINC000065021095 569088663 /nfs/dbraw/zinc/08/86/63/569088663.db2.gz JLAPTFNLNZCQQA-UHFFFAOYSA-N 0 0 436.961 4.430 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc(OC)c1 ZINC000065023811 569089468 /nfs/dbraw/zinc/08/94/68/569089468.db2.gz DDAVRJNIXRGJJZ-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN CSc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000065024753 569089699 /nfs/dbraw/zinc/08/96/99/569089699.db2.gz HNKDAMBBBUSKNU-UHFFFAOYSA-N 0 0 438.484 4.149 50 0 IIAARN CSc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c32)cc1 ZINC000065024881 569089707 /nfs/dbraw/zinc/08/97/07/569089707.db2.gz IATNOQVTCLYXOX-UHFFFAOYSA-N 0 0 434.521 4.319 50 0 IIAARN Cc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000065024713 569089742 /nfs/dbraw/zinc/08/97/42/569089742.db2.gz MYUCNPRBDQDUGV-UHFFFAOYSA-N 0 0 426.835 4.081 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)COc1ncnc2onc(-c3ccccc3)c21 ZINC000065024540 569089763 /nfs/dbraw/zinc/08/97/63/569089763.db2.gz WGKLORJBJMXPOS-UHFFFAOYSA-N 0 0 439.269 4.373 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)c1nc2c3ccccc3oc2c(N2CCOCC2)n1 ZINC000065024950 569090281 /nfs/dbraw/zinc/09/02/81/569090281.db2.gz RAQQKHCLIVRWFB-UHFFFAOYSA-N 0 0 442.397 4.484 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)c(C)c1 ZINC000065034564 569092081 /nfs/dbraw/zinc/09/20/81/569092081.db2.gz IAAVJRXLIJLIJL-UHFFFAOYSA-N 0 0 445.972 4.001 50 0 IIAARN CN(c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1)S(=O)(=O)c1cccs1 ZINC000036385384 569092995 /nfs/dbraw/zinc/09/29/95/569092995.db2.gz OYANYJKSPRITJR-FXAWDEMLSA-N 0 0 448.610 4.133 50 0 IIAARN CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(OCC)c5)no4)c3CO2)cc1 ZINC000169758417 569094488 /nfs/dbraw/zinc/09/44/88/569094488.db2.gz NDBVONPXMJVUKX-FQEVSTJZSA-N 0 0 433.468 4.064 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)C3CCC3)C2)cc1OC ZINC000006873718 569094860 /nfs/dbraw/zinc/09/48/60/569094860.db2.gz BVGJWTOQWMFXJX-HXUWFJFHSA-N 0 0 426.488 4.165 50 0 IIAARN CCc1noc2nc(CCC(=O)NCc3cccc(Cl)c3)nc(N3CCCCC3)c12 ZINC000065056800 569094928 /nfs/dbraw/zinc/09/49/28/569094928.db2.gz PJPRVXCFYQAFJW-UHFFFAOYSA-N 0 0 427.936 4.073 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063368 569097863 /nfs/dbraw/zinc/09/78/63/569097863.db2.gz LEURXZJFEYCTIV-MRXNPFEDSA-N 0 0 425.510 4.203 50 0 IIAARN CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063333 569097913 /nfs/dbraw/zinc/09/79/13/569097913.db2.gz CZNBSEKNDNDSDH-UHFFFAOYSA-N 0 0 431.901 4.078 50 0 IIAARN COc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075008 569099384 /nfs/dbraw/zinc/09/93/84/569099384.db2.gz RJHKZKGGVVMNPK-MHZLTWQESA-N 0 0 428.532 4.277 50 0 IIAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(C)c2)cc1 ZINC000065075003 569099394 /nfs/dbraw/zinc/09/93/94/569099394.db2.gz ZVEYMYGJQUIXEO-HHHXNRCGSA-N 0 0 428.532 4.277 50 0 IIAARN CC(C)c1nc2c3ccccc3n(CC(=O)Nc3ccccc3-c3ccccc3)c(=O)n2n1 ZINC000036397544 569100601 /nfs/dbraw/zinc/10/06/01/569100601.db2.gz VKFVZZPHUOKOFG-UHFFFAOYSA-N 0 0 437.503 4.473 50 0 IIAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000036397977 569100923 /nfs/dbraw/zinc/10/09/23/569100923.db2.gz MWUWEUXRETZWKE-UHFFFAOYSA-N 0 0 446.956 4.192 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2 ZINC000065082675 569102344 /nfs/dbraw/zinc/10/23/44/569102344.db2.gz DWWVPKSQLWCHLF-OAQYLSRUSA-N 0 0 444.531 4.248 50 0 IIAARN COc1ccc(Cl)cc1C(=O)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000169778489 569102791 /nfs/dbraw/zinc/10/27/91/569102791.db2.gz BYYSQZSNDXFCAD-UHFFFAOYSA-N 0 0 428.279 4.037 50 0 IIAARN O=C(Nc1cccc(Br)c1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169780155 569102963 /nfs/dbraw/zinc/10/29/63/569102963.db2.gz NBQYMQBPYKYHRU-UHFFFAOYSA-N 0 0 429.240 4.113 50 0 IIAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000169779257 569103173 /nfs/dbraw/zinc/10/31/73/569103173.db2.gz GTTBZRWBMKLNKK-UHFFFAOYSA-N 0 0 432.568 4.245 50 0 IIAARN CC(C)c1nc(N2CCCC2=O)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065086397 569103351 /nfs/dbraw/zinc/10/33/51/569103351.db2.gz PUEUJDPGGNZBNV-UHFFFAOYSA-N 0 0 432.977 4.009 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1F ZINC000065096427 569103520 /nfs/dbraw/zinc/10/35/20/569103520.db2.gz VRERMHCOPNMZOU-UHFFFAOYSA-N 0 0 449.467 4.318 50 0 IIAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCc3ccccc32)c2ccccc2)c(OC)c1 ZINC000065096671 569103644 /nfs/dbraw/zinc/10/36/44/569103644.db2.gz GURMDJRXZKZXNF-XMMPIXPASA-N 0 0 430.504 4.154 50 0 IIAARN CCCN1C(=O)COc2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc21 ZINC000065098410 569104639 /nfs/dbraw/zinc/10/46/39/569104639.db2.gz WLLZKFQKQYPGIS-UHFFFAOYSA-N 0 0 444.447 4.384 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C ZINC000065100060 569104963 /nfs/dbraw/zinc/10/49/63/569104963.db2.gz WCGPNIBIBLQWEG-UHFFFAOYSA-N 0 0 434.525 4.134 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099762 569105323 /nfs/dbraw/zinc/10/53/23/569105323.db2.gz VDAMCWLXSCSWSL-UHFFFAOYSA-N 0 0 440.916 4.399 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000065101822 569105885 /nfs/dbraw/zinc/10/58/85/569105885.db2.gz DJQYUYPFCPZADZ-UHFFFAOYSA-N 0 0 446.482 4.185 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(OC)cc4)CC3)n2)c1 ZINC000065111435 569106477 /nfs/dbraw/zinc/10/64/77/569106477.db2.gz BWVQSRINSMMGES-UHFFFAOYSA-N 0 0 434.496 4.114 50 0 IIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115248 569106721 /nfs/dbraw/zinc/10/67/21/569106721.db2.gz MQIREBWHHPTTRT-UHFFFAOYSA-N 0 0 433.917 4.217 50 0 IIAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)no2)cc1 ZINC000065111909 569107793 /nfs/dbraw/zinc/10/77/93/569107793.db2.gz RFZMGSNCHHIBBR-UHFFFAOYSA-N 0 0 437.565 4.492 50 0 IIAARN CCCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000065112196 569108024 /nfs/dbraw/zinc/10/80/24/569108024.db2.gz OHYIXYIUIPOOHR-UHFFFAOYSA-N 0 0 441.553 4.266 50 0 IIAARN CN(C1CCCCC1)S(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000169793580 569108203 /nfs/dbraw/zinc/10/82/03/569108203.db2.gz YMOOZXQHLAYDSE-XZOQPEGZSA-N 0 0 430.570 4.360 50 0 IIAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)ccc3C)c2c1=O ZINC000065113516 569108404 /nfs/dbraw/zinc/10/84/04/569108404.db2.gz AGHDLOSKCUYLME-UHFFFAOYSA-N 0 0 444.535 4.157 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118261 569108897 /nfs/dbraw/zinc/10/88/97/569108897.db2.gz ITHNCHRKCGQMMK-UHFFFAOYSA-N 0 0 438.919 4.325 50 0 IIAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000065136747 569110250 /nfs/dbraw/zinc/11/02/50/569110250.db2.gz LHLVDYLJNZSAJD-FQEVSTJZSA-N 0 0 438.547 4.199 50 0 IIAARN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000065180110 569113716 /nfs/dbraw/zinc/11/37/16/569113716.db2.gz OUYLLWHVSFDOFJ-UHFFFAOYSA-N 0 0 430.907 4.303 50 0 IIAARN Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000065183852 569113970 /nfs/dbraw/zinc/11/39/70/569113970.db2.gz RXVTWQMILCCVKQ-UHFFFAOYSA-N 0 0 429.365 4.094 50 0 IIAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)cc1 ZINC000065184179 569114104 /nfs/dbraw/zinc/11/41/04/569114104.db2.gz RJCJQBDZCXHWIY-UHFFFAOYSA-N 0 0 434.540 4.489 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3ccc(C)c(C)c3)cccn12 ZINC000065185241 569114164 /nfs/dbraw/zinc/11/41/64/569114164.db2.gz DVJBKTZFGFXTKC-UHFFFAOYSA-N 0 0 438.528 4.443 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc3)cccn12 ZINC000065185332 569114278 /nfs/dbraw/zinc/11/42/78/569114278.db2.gz FZMWKVPIAHQTBM-UHFFFAOYSA-N 0 0 426.929 4.395 50 0 IIAARN O=C(c1ccc(-c2ccc(N3CCSCC3)nc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000065178340 569114439 /nfs/dbraw/zinc/11/44/39/569114439.db2.gz SWPGVCLDRQRITO-UHFFFAOYSA-N 0 0 444.604 4.264 50 0 IIAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3ccc(F)cc3)cn12 ZINC000065199185 569115077 /nfs/dbraw/zinc/11/50/77/569115077.db2.gz GXBGSJOEBPTYTC-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000065210157 569116294 /nfs/dbraw/zinc/11/62/94/569116294.db2.gz AOJWTHDBVSMWTQ-UHFFFAOYSA-N 0 0 433.439 4.444 50 0 IIAARN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1cccc(Br)c1 ZINC000065209605 569116465 /nfs/dbraw/zinc/11/64/65/569116465.db2.gz FZZRHVGWXJVIIB-SFHVURJKSA-N 0 0 441.329 4.342 50 0 IIAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4Cl)cs3)CC2)c1 ZINC000065211591 569116632 /nfs/dbraw/zinc/11/66/32/569116632.db2.gz YIZLGNGBUBVJOT-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN O=C(NCc1ccc(F)cc1F)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000065211638 569116679 /nfs/dbraw/zinc/11/66/79/569116679.db2.gz HTYNMHXDRVDVBT-UHFFFAOYSA-N 0 0 448.926 4.331 50 0 IIAARN Cc1nn2c(CNS(=O)(=O)c3ccc(F)c(Cl)c3)c(-c3ccccc3)nc2s1 ZINC000065217311 569117069 /nfs/dbraw/zinc/11/70/69/569117069.db2.gz UGUCDUWZMXRGJL-UHFFFAOYSA-N 0 0 436.921 4.037 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)cc1 ZINC000065227873 569117550 /nfs/dbraw/zinc/11/75/50/569117550.db2.gz MEYNPWRAYKSVFU-KRWDZBQOSA-N 0 0 433.512 4.263 50 0 IIAARN Cc1nc(CC(=O)NCc2ccccc2C(F)(F)F)sc1C(=O)NCc1ccccc1 ZINC000065232940 569119117 /nfs/dbraw/zinc/11/91/17/569119117.db2.gz GYFHHJJUBZGLJB-UHFFFAOYSA-N 0 0 447.482 4.259 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2CC ZINC000065235500 569119180 /nfs/dbraw/zinc/11/91/80/569119180.db2.gz KKRLZUMRVLWURT-UHFFFAOYSA-N 0 0 442.947 4.333 50 0 biogenic IIAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239238 569120196 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/nfs/dbraw/zinc/16/94/44/569169444.db2.gz ITBJJXUZFCBAHQ-UHFFFAOYSA-N 0 0 440.521 4.171 50 0 IIAARN O=C(CCc1c(F)cccc1Cl)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983182 569170039 /nfs/dbraw/zinc/17/00/39/569170039.db2.gz AFJIEBFRQNXONY-INIZCTEOSA-N 0 0 427.900 4.016 50 0 IIAARN Cc1cc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c(C)c1 ZINC000017010403 569170192 /nfs/dbraw/zinc/17/01/92/569170192.db2.gz HURPXASUHWBJKD-HNNXBMFYSA-N 0 0 435.596 4.157 50 0 IIAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017041013 569171525 /nfs/dbraw/zinc/17/15/25/569171525.db2.gz OVOQDOISAUSWAB-UHFFFAOYSA-N 0 0 437.507 4.487 50 0 IIAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2cncc(Br)c2)CCS3)cc1 ZINC000017051226 569171917 /nfs/dbraw/zinc/17/19/17/569171917.db2.gz IMVKIYPBNOSTJM-UHFFFAOYSA-N 0 0 429.343 4.052 50 0 IIAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)Cc4ccc(F)cc4)[C@@H](C)C3)ncn2)c1 ZINC000037356701 569172732 /nfs/dbraw/zinc/17/27/32/569172732.db2.gz IFOYZMKZMPHKDX-KRWDZBQOSA-N 0 0 438.478 4.135 50 0 IIAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccc(Br)c1 ZINC000017149836 569174899 /nfs/dbraw/zinc/17/48/99/569174899.db2.gz IBJGLORUAOONAY-UHFFFAOYSA-N 0 0 432.318 4.487 50 0 IIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017156698 569175112 /nfs/dbraw/zinc/17/51/12/569175112.db2.gz AZMBPGBATXLEOX-UHFFFAOYSA-N 0 0 445.541 4.376 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017170046 569175419 /nfs/dbraw/zinc/17/54/19/569175419.db2.gz JVTRSWHLYWEQEB-MRXNPFEDSA-N 0 0 425.984 4.337 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000001061218 569176507 /nfs/dbraw/zinc/17/65/07/569176507.db2.gz IYTCDFMOLIRBNU-SFHVURJKSA-N 0 0 443.503 4.248 50 0 IIAARN CC(C)[C@H](C(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1)N1Cc2ccccc2C1=O ZINC000575443000 569177362 /nfs/dbraw/zinc/17/73/62/569177362.db2.gz AXRKNURQMYHWKN-DNQXCXABSA-N 0 0 438.531 4.449 50 0 IIAARN CCOC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1C ZINC000002826414 569177433 /nfs/dbraw/zinc/17/74/33/569177433.db2.gz GAIRYQVIFAGMEY-UHFFFAOYSA-N 0 0 430.917 4.043 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(C)c2)cc1 ZINC000002871698 569177474 /nfs/dbraw/zinc/17/74/74/569177474.db2.gz VXDCHXAOULIJKJ-UHFFFAOYSA-N 0 0 442.581 4.490 50 0 IIAARN CC(C)Cn1nc(C(=O)NC2(c3cccc(Br)c3)CC2)c2ccccc2c1=O ZINC000170636634 569178185 /nfs/dbraw/zinc/17/81/85/569178185.db2.gz LUMGBCCIPUEHLT-UHFFFAOYSA-N 0 0 440.341 4.234 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(Sc4ccccc4Cl)nn3)cc2NC1=O ZINC000170639228 569179703 /nfs/dbraw/zinc/17/97/03/569179703.db2.gz RPVMGEALDZULNO-NSHDSACASA-N 0 0 426.885 4.253 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 ZINC000001248146 569180535 /nfs/dbraw/zinc/18/05/35/569180535.db2.gz OUBZSZHYHVFMOC-UHFFFAOYSA-N 0 0 446.374 4.052 50 0 IIAARN COc1ccc(-n2c(SCC(=O)c3cccc(OC)c3)nc3ccccc3c2=O)cc1 ZINC000002259947 569180659 /nfs/dbraw/zinc/18/06/59/569180659.db2.gz UMSQBRXLQRZGFJ-UHFFFAOYSA-N 0 0 432.501 4.378 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccn1 ZINC000002447972 569180904 /nfs/dbraw/zinc/18/09/04/569180904.db2.gz LJOVLARPQXGGTB-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN CCCCCCN1CC(=O)N2[C@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002107054 569181132 /nfs/dbraw/zinc/18/11/32/569181132.db2.gz FHRWWCXTHYMPGJ-JYFHCDHNSA-N 0 0 445.563 4.442 50 0 biogenic IIAARN O=C1CN(Cc2cccs2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002118192 569182663 /nfs/dbraw/zinc/18/26/63/569182663.db2.gz FYKYBZMTZPHBBR-XUZZJYLKSA-N 0 0 427.529 4.115 50 0 biogenic IIAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5C[C@H](C)O[C@@H](C)C5)C4=O)cc3)sc2c1 ZINC000230462261 569185534 /nfs/dbraw/zinc/18/55/34/569185534.db2.gz FARUWAZGYWCGTG-FTRWYGJKSA-N 0 0 435.549 4.013 50 0 IIAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NC[C@H]1CCCO1)nc2-c1cccc(F)c1 ZINC000037376873 569185623 /nfs/dbraw/zinc/18/56/23/569185623.db2.gz TYGUJFKKHOAVEZ-OAHLLOKOSA-N 0 0 440.429 4.073 50 0 IIAARN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccco2)cc1OC ZINC000002155709 569187601 /nfs/dbraw/zinc/18/76/01/569187601.db2.gz DOZBHIXVQWIUKC-LJQANCHMSA-N 0 0 437.492 4.296 50 0 biogenic IIAARN Cc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252497293 569187967 /nfs/dbraw/zinc/18/79/67/569187967.db2.gz QDAOSXCEVGGPQY-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN COC(=O)c1ccccc1NC(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 ZINC000252508773 569188505 /nfs/dbraw/zinc/18/85/05/569188505.db2.gz XTCXITVXQVBMMS-UHFFFAOYSA-N 0 0 432.904 4.005 50 0 IIAARN COc1ccc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000524731183 569188646 /nfs/dbraw/zinc/18/86/46/569188646.db2.gz MWIZYUUFLUMFOM-HSZRJFAPSA-N 0 0 445.519 4.212 50 0 biogenic IIAARN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000252517449 569189131 /nfs/dbraw/zinc/18/91/31/569189131.db2.gz IUYYZDHQZGEMMB-IPMKNSEASA-N 0 0 449.414 4.146 50 0 IIAARN COCCNC(=O)CCN(Cc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384689 569192293 /nfs/dbraw/zinc/19/22/93/569192293.db2.gz JIFIXPDRHDVXQA-UHFFFAOYSA-N 0 0 438.959 4.320 50 0 IIAARN COCCCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1C ZINC000007617068 569192865 /nfs/dbraw/zinc/19/28/65/569192865.db2.gz ZFMDGCMWUCKZRV-UHFFFAOYSA-N 0 0 425.558 4.105 50 0 IIAARN CNC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)sc2c1CCCC2 ZINC000002206695 569193510 /nfs/dbraw/zinc/19/35/10/569193510.db2.gz XLFBMFMATAJOGL-UHFFFAOYSA-N 0 0 430.913 4.307 50 0 IIAARN CCNC(=O)N1CCN(Cc2c(-c3ccccc3)nc3sc4cc(OC)ccc4n23)CC1 ZINC000037399602 569194519 /nfs/dbraw/zinc/19/45/19/569194519.db2.gz PVYZJDYDOUBSSJ-UHFFFAOYSA-N 0 0 449.580 4.072 50 0 IIAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1ccco1 ZINC000037401035 569195006 /nfs/dbraw/zinc/19/50/06/569195006.db2.gz XDQBXWATCLYYEA-QGZVFWFLSA-N 0 0 443.521 4.497 50 0 IIAARN Cc1s/c(=N\C(=O)c2ccccc2F)n(Cc2cccc(C(=O)NC(C)C)c2)c1C ZINC000037428491 569195984 /nfs/dbraw/zinc/19/59/84/569195984.db2.gz JRCZAOHMGQEZGI-RWEWTDSWSA-N 0 0 425.529 4.233 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1 ZINC000037555470 569200544 /nfs/dbraw/zinc/20/05/44/569200544.db2.gz HKKGYFDDMUCMEJ-UHFFFAOYSA-N 0 0 426.513 4.039 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(C)cc2)cc1 ZINC000037555483 569200570 /nfs/dbraw/zinc/20/05/70/569200570.db2.gz JYNXWUMXVIYKJG-UHFFFAOYSA-N 0 0 434.511 4.286 50 0 IIAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)N1CCOCC1 ZINC000037556567 569200601 /nfs/dbraw/zinc/20/06/01/569200601.db2.gz TULAISHFLJRAHP-UHFFFAOYSA-N 0 0 432.495 4.074 50 0 IIAARN O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000002212406 569201767 /nfs/dbraw/zinc/20/17/67/569201767.db2.gz RONVUHGIWVCHSM-UHFFFAOYSA-N 0 0 443.890 4.268 50 0 IIAARN NC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 ZINC000002221977 569204621 /nfs/dbraw/zinc/20/46/21/569204621.db2.gz IHFBIWMBOZVGQT-UHFFFAOYSA-N 0 0 429.958 4.116 50 0 IIAARN COc1ccc(C(=O)Oc2ccc3[nH]cc(CCN4C(=O)c5ccccc5C4=O)c3c2)cc1 ZINC000002227576 569207973 /nfs/dbraw/zinc/20/79/73/569207973.db2.gz SHOYJECSXBXSTL-UHFFFAOYSA-N 0 0 440.455 4.234 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC1C2CC3CC(C2)CC1C3 ZINC000002228777 569208272 /nfs/dbraw/zinc/20/82/72/569208272.db2.gz WCCHESHXRZPEJA-UHFFFAOYSA-N 0 0 445.592 4.362 50 0 IIAARN COc1cc(-c2noc(-c3ccccc3C(=O)NC3CCCCC3)n2)cc(OC)c1OC ZINC000002231627 569210633 /nfs/dbraw/zinc/21/06/33/569210633.db2.gz MZSPJYQKTWECBO-UHFFFAOYSA-N 0 0 437.496 4.492 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002688499 569212655 /nfs/dbraw/zinc/21/26/55/569212655.db2.gz LIBIOETZCHCZQL-UHFFFAOYSA-N 0 0 448.425 4.158 50 0 IIAARN CNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1cc(OC)c(OC)c(OC)c1 ZINC000002722467 569212705 /nfs/dbraw/zinc/21/27/05/569212705.db2.gz SOSOQYXWCRPERU-UHFFFAOYSA-N 0 0 445.560 4.190 50 0 IIAARN O=C(CSc1nccn1-c1ccccc1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000027490082 569215727 /nfs/dbraw/zinc/21/57/27/569215727.db2.gz OZDSBIDZLBDSSE-UHFFFAOYSA-N 0 0 435.549 4.321 50 0 IIAARN COC(=O)c1ccc(NC(=O)CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000002261735 569215829 /nfs/dbraw/zinc/21/58/29/569215829.db2.gz DSPBPCSBOYWQBP-UHFFFAOYSA-N 0 0 441.487 4.187 50 0 IIAARN COc1ccccc1N1C(=O)C(=Cc2ccccc2)C(=O)N(c2ccccc2OC)C1=O ZINC000019878182 569256996 /nfs/dbraw/zinc/25/69/96/569256996.db2.gz AIZFGLABCZDPFR-UHFFFAOYSA-N 0 0 428.444 4.287 50 0 IIAARN CC(=O)O[C@@H]1C[C@H]2[C@H]3C[C@H](OC(C)=O)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000039941914 569257905 /nfs/dbraw/zinc/25/79/05/569257905.db2.gz VNILAENJJRBBKT-KBRQKNTGSA-N 0 0 434.573 4.434 50 0 IIAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)cc2O1 ZINC000253413142 569265983 /nfs/dbraw/zinc/26/59/83/569265983.db2.gz TXPSMVHSAJQDJG-GOSISDBHSA-N 0 0 449.507 4.145 50 0 biogenic IIAARN COc1ccccc1/C=C/CNn1c(=O)c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000027531432 569266187 /nfs/dbraw/zinc/26/61/87/569266187.db2.gz HABNVFAKTIESBA-CSKARUKUSA-N 0 0 443.503 4.346 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc2c(cc(OC)cc2OC)n1C ZINC000253414859 569266335 /nfs/dbraw/zinc/26/63/35/569266335.db2.gz YVDQXFDLVVAUIJ-HXUWFJFHSA-N 0 0 433.508 4.493 50 0 biogenic IIAARN Cc1cc(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)ccc1Cl ZINC000253424619 569267136 /nfs/dbraw/zinc/26/71/36/569267136.db2.gz IMVGPHOQXTYDED-UHFFFAOYSA-N 0 0 435.709 4.460 50 0 IIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000027535998 569267761 /nfs/dbraw/zinc/26/77/61/569267761.db2.gz QWLIWAPXTWFPTA-CQSZACIVSA-N 0 0 439.865 4.144 50 0 IIAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1F ZINC000002290641 569267885 /nfs/dbraw/zinc/26/78/85/569267885.db2.gz ABQAFHNIYDYXCJ-UHFFFAOYSA-N 0 0 439.494 4.479 50 0 IIAARN COc1ccc(Cn2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002291230 569267903 /nfs/dbraw/zinc/26/79/03/569267903.db2.gz IBEZZRSJDCOZSC-UHFFFAOYSA-N 0 0 437.503 4.154 50 0 IIAARN CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000002316528 569272426 /nfs/dbraw/zinc/27/24/26/569272426.db2.gz QEFVPLAINWNSGY-UHFFFAOYSA-N 0 0 445.610 4.422 50 0 IIAARN COC(=O)c1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002325956 569274355 /nfs/dbraw/zinc/27/43/55/569274355.db2.gz OEEXVJYROIRSDK-UHFFFAOYSA-N 0 0 443.507 4.005 50 0 IIAARN O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccccc1F ZINC000002337600 569274909 /nfs/dbraw/zinc/27/49/09/569274909.db2.gz UCVVDZYJVYLBEA-UHFFFAOYSA-N 0 0 428.514 4.442 50 0 IIAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002340316 569275075 /nfs/dbraw/zinc/27/50/75/569275075.db2.gz ADOSDZZTZWKTNI-UHFFFAOYSA-N 0 0 443.457 4.423 50 0 IIAARN Cn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)c(Cl)c1)sc1c2CCCC1 ZINC000002349349 569282228 /nfs/dbraw/zinc/28/22/28/569282228.db2.gz PQBDMNQZKONVKX-UHFFFAOYSA-N 0 0 437.949 4.397 50 0 IIAARN COc1ccc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc(C)oc2=O)cc1 ZINC000253470855 569282578 /nfs/dbraw/zinc/28/25/78/569282578.db2.gz HCLXYHHMAMKMFJ-OAQYLSRUSA-N 0 0 446.503 4.025 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002362215 569287662 /nfs/dbraw/zinc/28/76/62/569287662.db2.gz NDDZUKLNQXNSNT-PKOBYXMFSA-N 0 0 443.551 4.097 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)c1C2 ZINC000252497960 569288080 /nfs/dbraw/zinc/28/80/80/569288080.db2.gz QSCZWQBFAOMRMO-IBGZPJMESA-N 0 0 443.507 4.242 50 0 IIAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000253413369 569289116 /nfs/dbraw/zinc/28/91/16/569289116.db2.gz UPSPIEHURCGJQU-GMAHTHKFSA-N 0 0 435.955 4.015 50 0 IIAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OCC ZINC000002375852 569289346 /nfs/dbraw/zinc/28/93/46/569289346.db2.gz JJHJRJKBCCVPOQ-CPNJWEJPSA-N 0 0 441.940 4.207 50 0 IIAARN COc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)s2)c1 ZINC000027725873 569294118 /nfs/dbraw/zinc/29/41/18/569294118.db2.gz LIIIVJCFNMCZQW-MRXNPFEDSA-N 0 0 428.539 4.022 50 0 IIAARN CC[C@H](C)COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 ZINC000002396385 569298480 /nfs/dbraw/zinc/29/84/80/569298480.db2.gz DUHFWMBTYOIAMB-AWEZNQCLSA-N 0 0 434.496 4.376 50 0 IIAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)c1ccc(Cl)cc1 ZINC000002400037 569299174 /nfs/dbraw/zinc/29/91/74/569299174.db2.gz XAQONEQNLTVMHG-UHFFFAOYSA-N 0 0 433.895 4.193 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000002403198 569299734 /nfs/dbraw/zinc/29/97/34/569299734.db2.gz VSOVJTBXLODZRT-INIZCTEOSA-N 0 0 425.853 4.056 50 0 IIAARN CCOC(=O)c1c2cc(OS(C)(=O)=O)c(Br)cc2oc1-c1ccccc1 ZINC000002406377 569300234 /nfs/dbraw/zinc/30/02/34/569300234.db2.gz HHFYWFIIKMJDGN-UHFFFAOYSA-N 0 0 439.283 4.377 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002409309 569300477 /nfs/dbraw/zinc/30/04/77/569300477.db2.gz GIIMJJMIHWGLSE-SLFFLAALSA-N 0 0 440.286 4.440 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H](C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000002415399 569301341 /nfs/dbraw/zinc/30/13/41/569301341.db2.gz ZTIWXRLMLOMCEF-OAQYLSRUSA-N 0 0 435.476 4.453 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002415729 569301390 /nfs/dbraw/zinc/30/13/90/569301390.db2.gz CXKHVQYOHKEUCR-HXUWFJFHSA-N 0 0 446.846 4.378 50 0 IIAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000002416263 569301530 /nfs/dbraw/zinc/30/15/30/569301530.db2.gz URQSLNUTNNEUJC-JSXRDJHFSA-N 0 0 443.482 4.019 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002423841 569302313 /nfs/dbraw/zinc/30/23/13/569302313.db2.gz KJUYYLXQYBTGDG-JOCHJYFZSA-N 0 0 449.503 4.248 50 0 IIAARN Cc1ccccc1-c1nc2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2n1 ZINC000002437601 569303902 /nfs/dbraw/zinc/30/39/02/569303902.db2.gz GVQWCKBQGRJHHG-JCMHNJIXSA-N 0 0 425.513 4.253 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1c1ncccn1 ZINC000002437075 569303940 /nfs/dbraw/zinc/30/39/40/569303940.db2.gz IBTCAQRPQOJOAK-QGZVFWFLSA-N 0 0 434.249 4.095 50 0 IIAARN COc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000013010316 569306671 /nfs/dbraw/zinc/30/66/71/569306671.db2.gz PSDFCNDKZJLPLQ-UHFFFAOYSA-N 0 0 431.514 4.203 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(C)c1 ZINC000013009966 569306764 /nfs/dbraw/zinc/30/67/64/569306764.db2.gz WPHIMNFMJNLFFG-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000013056554 569308246 /nfs/dbraw/zinc/30/82/46/569308246.db2.gz CLKRKYNZXGUMFT-KRWDZBQOSA-N 0 0 429.472 4.414 50 0 IIAARN O=C(COC(=O)CSc1cccc2cccc(Cl)c21)NC(=O)NCc1ccccc1 ZINC000013068479 569308759 /nfs/dbraw/zinc/30/87/59/569308759.db2.gz ISFIPSGXYJEGMT-UHFFFAOYSA-N 0 0 442.924 4.155 50 0 IIAARN Cc1nc2ccc(NC(=O)CCNS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2s1 ZINC000013096998 569309553 /nfs/dbraw/zinc/30/95/53/569309553.db2.gz VBKWQNFGWWIVTE-UHFFFAOYSA-N 0 0 445.610 4.454 50 0 IIAARN CC(C)c1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013096211 569309616 /nfs/dbraw/zinc/30/96/16/569309616.db2.gz LLOIZHDRGMQANX-UHFFFAOYSA-N 0 0 430.570 4.392 50 0 IIAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000013098056 569309803 /nfs/dbraw/zinc/30/98/03/569309803.db2.gz GDNLFCYYHDVHFJ-FARCUNLSSA-N 0 0 443.855 4.150 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000013098831 569309905 /nfs/dbraw/zinc/30/99/05/569309905.db2.gz LFHFATBAQMQWGD-UHFFFAOYSA-N 0 0 442.924 4.352 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000013112715 569310447 /nfs/dbraw/zinc/31/04/47/569310447.db2.gz AIOOSHUZLBUXCT-UHFFFAOYSA-N 0 0 426.538 4.133 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000013113191 569310607 /nfs/dbraw/zinc/31/06/07/569310607.db2.gz PQRHSIDQOGVCSC-IBGZPJMESA-N 0 0 449.561 4.395 50 0 IIAARN C[C@H]1Cc2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000013114928 569310748 /nfs/dbraw/zinc/31/07/48/569310748.db2.gz QEOHKEGSXZMLMN-IBGZPJMESA-N 0 0 448.588 4.349 50 0 IIAARN COCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000013114942 569310763 /nfs/dbraw/zinc/31/07/63/569310763.db2.gz DDNYRVQFRRHMPW-IAGOWNOFSA-N 0 0 442.560 4.397 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(O)cc4O)cc3)sc2c1 ZINC000013137423 569311469 /nfs/dbraw/zinc/31/14/69/569311469.db2.gz RIOFNWYBDXZZHA-UHFFFAOYSA-N 0 0 434.473 4.478 50 0 IIAARN Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C(C)C ZINC000013140743 569311693 /nfs/dbraw/zinc/31/16/93/569311693.db2.gz IOHIYTDIVLOEMG-ROUUACIJSA-N 0 0 431.554 4.136 50 0 IIAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccccc1NCc1ccco1 ZINC000013141734 569311779 /nfs/dbraw/zinc/31/17/79/569311779.db2.gz GLWRLNLTBXBJNU-UHFFFAOYSA-N 0 0 442.493 4.152 50 0 IIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc2)cc1 ZINC000013351556 569313276 /nfs/dbraw/zinc/31/32/76/569313276.db2.gz VKUQOYLJXCXYBJ-UHFFFAOYSA-N 0 0 435.568 4.262 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355202 569313560 /nfs/dbraw/zinc/31/35/60/569313560.db2.gz HIEDDVUHDRXHFC-UHFFFAOYSA-N 0 0 436.533 4.399 50 0 IIAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)cc2C[C@H]1C ZINC000013365818 569314259 /nfs/dbraw/zinc/31/42/59/569314259.db2.gz YDVOQTWISHQUIT-OAHLLOKOSA-N 0 0 448.972 4.139 50 0 IIAARN CCc1nn2c(nc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)cc2=O)s1 ZINC000013368130 569314488 /nfs/dbraw/zinc/31/44/88/569314488.db2.gz QGFRFQVPYZYLDG-UHFFFAOYSA-N 0 0 440.912 4.198 50 0 IIAARN Cc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C(C)C)sc3n2)c1 ZINC000013367994 569314489 /nfs/dbraw/zinc/31/44/89/569314489.db2.gz ALBJRKMXDXWTBS-UHFFFAOYSA-N 0 0 434.521 4.414 50 0 IIAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)CCc4ccccc4)c3)cc2=O)s1 ZINC000013368047 569314507 /nfs/dbraw/zinc/31/45/07/569314507.db2.gz PXNWJVYRSDJEEL-UHFFFAOYSA-N 0 0 448.548 4.425 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc(CC(C)C)sc4n3)cc2)c1 ZINC000013368231 569314608 /nfs/dbraw/zinc/31/46/08/569314608.db2.gz IWLKIYHTDDVILX-UHFFFAOYSA-N 0 0 448.548 4.489 50 0 IIAARN CCc1nn2c(nc(COc3ccc(NC(=O)[C@@H](CC)c4ccccc4)cc3)cc2=O)s1 ZINC000013368174 569314630 /nfs/dbraw/zinc/31/46/30/569314630.db2.gz GQAJGJUFQRHTER-FQEVSTJZSA-N 0 0 448.548 4.425 50 0 IIAARN Cc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 ZINC000013368300 569314642 /nfs/dbraw/zinc/31/46/42/569314642.db2.gz SDBGMTPTGWPTSU-UHFFFAOYSA-N 0 0 432.505 4.168 50 0 IIAARN COC(=O)CCCCC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000328591516 569316964 /nfs/dbraw/zinc/31/69/64/569316964.db2.gz PYVXBWLXRSXBCX-UHFFFAOYSA-N 0 0 444.959 4.301 50 0 IIAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000078714339 569318433 /nfs/dbraw/zinc/31/84/33/569318433.db2.gz YMARCSWVABYFJC-ZZXKWVIFSA-N 0 0 435.867 4.046 50 0 IIAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1=O ZINC000078743254 569318825 /nfs/dbraw/zinc/31/88/25/569318825.db2.gz JHSWPKYTLCXQEV-SNVBAGLBSA-N 0 0 430.785 4.498 50 0 IIAARN c1csc([C@@H](Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C2CC2)n1 ZINC000078903371 569320219 /nfs/dbraw/zinc/32/02/19/569320219.db2.gz ZTTLXHGYLBDDKR-SFHVURJKSA-N 0 0 427.599 4.032 50 0 IIAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000078985214 569321323 /nfs/dbraw/zinc/32/13/23/569321323.db2.gz AGEUKKFGTYVEOZ-QHCPKHFHSA-N 0 0 428.523 4.184 50 0 IIAARN CCS(=O)(=O)c1nc2ccc(NC(=O)c3csc(Br)c3)cc2s1 ZINC000079015549 569321969 /nfs/dbraw/zinc/32/19/69/569321969.db2.gz DURONFZVYZDOBW-UHFFFAOYSA-N 0 0 431.358 4.166 50 0 IIAARN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000079019684 569322346 /nfs/dbraw/zinc/32/23/46/569322346.db2.gz RYHDBMBAWBARSB-LJQANCHMSA-N 0 0 426.517 4.172 50 0 IIAARN Cc1ccc(-n2nc(C(=O)N[C@H](C)c3nc(Cc4ccccc4)no3)c3c2CCC3)cc1 ZINC000079022591 569322522 /nfs/dbraw/zinc/32/25/22/569322522.db2.gz QHCKHGAXEXPYPJ-QGZVFWFLSA-N 0 0 427.508 4.134 50 0 IIAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000079025440 569322758 /nfs/dbraw/zinc/32/27/58/569322758.db2.gz UXDQAYHNJAZSSN-CABCVRRESA-N 0 0 441.528 4.464 50 0 IIAARN O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000079055235 569323671 /nfs/dbraw/zinc/32/36/71/569323671.db2.gz ZBCCSOWOQGXVBG-KRWDZBQOSA-N 0 0 434.414 4.154 50 0 IIAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)o2)cc1C ZINC000079102212 569325531 /nfs/dbraw/zinc/32/55/31/569325531.db2.gz XRYDVMHYVFTTSX-GOSISDBHSA-N 0 0 429.524 4.354 50 0 IIAARN Cc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)c1 ZINC000079112400 569326331 /nfs/dbraw/zinc/32/63/31/569326331.db2.gz YTAFGKAIBSEAIQ-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2OC)cc1 ZINC000019855427 569330643 /nfs/dbraw/zinc/33/06/43/569330643.db2.gz QNXUTLMMWSHKME-UHFFFAOYSA-N 0 0 428.492 4.326 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000020032628 569332431 /nfs/dbraw/zinc/33/24/31/569332431.db2.gz JQBLAKUKAVELCB-SFHVURJKSA-N 0 0 448.800 4.151 50 0 IIAARN C[C@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O ZINC000020069914 569333310 /nfs/dbraw/zinc/33/33/10/569333310.db2.gz OLXAWHFLDAJTGY-JLTOFOAXSA-N 0 0 425.451 4.035 50 0 IIAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3[nH]c2=S)cc1 ZINC000020103040 569333954 /nfs/dbraw/zinc/33/39/54/569333954.db2.gz PRDBWNLOFVTANC-QEEYODRMSA-N 0 0 437.565 4.238 50 0 IIAARN COc1cc2c(C(=O)N(C)c3cc(C)ccc3OC)cn(CC(C)C)c(=O)c2cc1OC ZINC000020104618 569334061 /nfs/dbraw/zinc/33/40/61/569334061.db2.gz NTOQMPMYLIBWNU-UHFFFAOYSA-N 0 0 438.524 4.268 50 0 IIAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCc2ccccc2)cc1OC ZINC000020152513 569353442 /nfs/dbraw/zinc/35/34/42/569353442.db2.gz ZOJQALSMAXUJAT-RUZDIDTESA-N 0 0 444.531 4.150 50 0 IIAARN O=C(c1ccc(C(F)(F)F)nc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390827505 569353983 /nfs/dbraw/zinc/35/39/83/569353983.db2.gz YWNDTQRHUCUDBV-UHFFFAOYSA-N 0 0 429.446 4.444 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cn(C[C@H](O)c5ccco5)nn4)cc3)sc2c1 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Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c3)n2)c1 ZINC000067289407 569467454 /nfs/dbraw/zinc/46/74/54/569467454.db2.gz FGFGLGNCTHHBKP-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN CCOC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc1 ZINC000067293516 569467817 /nfs/dbraw/zinc/46/78/17/569467817.db2.gz OHGPGIHNODRSSO-PNHLSOANSA-N 0 0 443.459 4.498 50 0 IIAARN COC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067295683 569467954 /nfs/dbraw/zinc/46/79/54/569467954.db2.gz VBXBTXWMPODXSF-PNHLSOANSA-N 0 0 443.459 4.416 50 0 IIAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc4c(c3)OCCO4)oc21 ZINC000067295668 569467959 /nfs/dbraw/zinc/46/79/59/569467959.db2.gz DRYDDCRHICLDQS-RFBIWTDZSA-N 0 0 443.459 4.401 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c(Cl)c1 ZINC000067301616 569468295 /nfs/dbraw/zinc/46/82/95/569468295.db2.gz XULHMHYIJWPFBP-UHFFFAOYSA-N 0 0 446.334 4.007 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000038725742 569468333 /nfs/dbraw/zinc/46/83/33/569468333.db2.gz UUPKPADBFNQVHX-GOTSBHOMSA-N 0 0 428.532 4.327 50 0 IIAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000038787937 569469115 /nfs/dbraw/zinc/46/91/15/569469115.db2.gz GVDPMHTWTXVEDI-MZNJEOGPSA-N 0 0 430.508 4.301 50 0 IIAARN Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(Br)cc4C)c3c2c1 ZINC000008599825 569469329 /nfs/dbraw/zinc/46/93/29/569469329.db2.gz UCWHRLYNJQWBCI-UHFFFAOYSA-N 0 0 426.270 4.161 50 0 IIAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000008662405 569469950 /nfs/dbraw/zinc/46/99/50/569469950.db2.gz SFYYTLXRBRQOHQ-FQEVSTJZSA-N 0 0 432.509 4.044 50 0 IIAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O ZINC000008718152 569471283 /nfs/dbraw/zinc/47/12/83/569471283.db2.gz ZNTJJFFGWVRNNE-JOCHJYFZSA-N 0 0 437.293 4.252 50 0 IIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000008720153 569471535 /nfs/dbraw/zinc/47/15/35/569471535.db2.gz XODZHKJFZUNAMA-OPAMFIHVSA-N 0 0 443.569 4.019 50 0 IIAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000008726850 569472258 /nfs/dbraw/zinc/47/22/58/569472258.db2.gz WLEGWRRLOBMJLJ-HNNXBMFYSA-N 0 0 436.961 4.412 50 0 IIAARN Cc1nnc(SCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)n1-c1cccc(C)c1 ZINC000008726852 569472294 /nfs/dbraw/zinc/47/22/94/569472294.db2.gz UDBJXNOIIFVJEL-UHFFFAOYSA-N 0 0 438.948 4.341 50 0 IIAARN CC1CCN(c2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000008746955 569473104 /nfs/dbraw/zinc/47/31/04/569473104.db2.gz BXSPDMXPNQNAQT-HXUWFJFHSA-N 0 0 444.622 4.454 50 0 IIAARN COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000008748916 569473243 /nfs/dbraw/zinc/47/32/43/569473243.db2.gz IGKMQWYIOXWZJQ-UHFFFAOYSA-N 0 0 436.942 4.392 50 0 IIAARN CCOC(=O)NC(NC(=O)OCC)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008763525 569474421 /nfs/dbraw/zinc/47/44/21/569474421.db2.gz FTNVSCDNEMLCRZ-UHFFFAOYSA-N 0 0 436.892 4.418 50 0 IIAARN Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000008771803 569475218 /nfs/dbraw/zinc/47/52/18/569475218.db2.gz LOWRLWFXNMSOCC-UHFFFAOYSA-N 0 0 444.900 4.408 50 0 IIAARN CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008777447 569475374 /nfs/dbraw/zinc/47/53/74/569475374.db2.gz HILRAJOSIUJQKO-NRFANRHFSA-N 0 0 439.987 4.451 50 0 IIAARN COc1ccc(CNC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)c(OC)c1 ZINC000008791362 569476219 /nfs/dbraw/zinc/47/62/19/569476219.db2.gz VOIMYUCKGSSSSQ-UHFFFAOYSA-N 0 0 435.476 4.341 50 0 biogenic IIAARN COC(=O)C1=C(CSc2nc3cc(C)ccc3[nH]2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816195 569476754 /nfs/dbraw/zinc/47/67/54/569476754.db2.gz IUXQETMQFAZCIU-HXUWFJFHSA-N 0 0 436.537 4.061 50 0 IIAARN COC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816410 569476771 /nfs/dbraw/zinc/47/67/71/569476771.db2.gz INOXEDVKZMHYCF-LJQANCHMSA-N 0 0 439.562 4.486 50 0 IIAARN COC(=O)C1C(CSc2nc3cc(C)ccc3[nH]2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008816198 569476776 /nfs/dbraw/zinc/47/67/76/569476776.db2.gz MUDGESLWNVOZBT-FQEVSTJZSA-N 0 0 436.537 4.061 50 0 IIAARN O=C(CSc1nccn1-c1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 ZINC000008824336 569477178 /nfs/dbraw/zinc/47/71/78/569477178.db2.gz UGSJKOPGZCZUFB-UHFFFAOYSA-N 0 0 435.427 4.028 50 0 IIAARN Cc1nc2sc3c(c2c(SCC(=O)c2ccc4c(c2)NC(=O)CO4)n1)CCCC3 ZINC000008824436 569477183 /nfs/dbraw/zinc/47/71/83/569477183.db2.gz VHHLLHNJORMVBE-UHFFFAOYSA-N 0 0 425.535 4.184 50 0 IIAARN COc1ccc(C(=O)N[C@H](C(=O)NCCCCOc2ccc(Cl)cc2)C(C)C)cc1 ZINC000008824978 569477264 /nfs/dbraw/zinc/47/72/64/569477264.db2.gz KTLUCCQFAKTVAK-NRFANRHFSA-N 0 0 432.948 4.078 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1C ZINC000008843915 569478560 /nfs/dbraw/zinc/47/85/60/569478560.db2.gz XRYOGBCUTPMZRN-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000008844174 569478620 /nfs/dbraw/zinc/47/86/20/569478620.db2.gz JKLUXLRZBGKTCI-GFCCVEGCSA-N 0 0 440.912 4.382 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846267 569479032 /nfs/dbraw/zinc/47/90/32/569479032.db2.gz YIZOAHMAHHZFBP-QFIPXVFZSA-N 0 0 440.455 4.028 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846266 569479087 /nfs/dbraw/zinc/47/90/87/569479087.db2.gz YIZOAHMAHHZFBP-JOCHJYFZSA-N 0 0 440.455 4.028 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1 ZINC000008851403 569479386 /nfs/dbraw/zinc/47/93/86/569479386.db2.gz DARZLJRJSUOTKR-UHFFFAOYSA-N 0 0 441.578 4.050 50 0 IIAARN O=C(CSc1nc(CC(=O)NCCCc2ccccc2)cs1)Nc1ccc(F)cc1 ZINC000008851936 569479396 /nfs/dbraw/zinc/47/93/96/569479396.db2.gz SBYDGFIRCFQGPK-UHFFFAOYSA-N 0 0 443.569 4.305 50 0 IIAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000008871032 569480718 /nfs/dbraw/zinc/48/07/18/569480718.db2.gz WMWWGTPDWRTJKD-AWEZNQCLSA-N 0 0 432.480 4.130 50 0 IIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000008871051 569480735 /nfs/dbraw/zinc/48/07/35/569480735.db2.gz JWCRTXHQSFTCEM-OAHLLOKOSA-N 0 0 436.899 4.204 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000008872253 569480856 /nfs/dbraw/zinc/48/08/56/569480856.db2.gz QPXVOWMEGWHAEI-UHFFFAOYSA-N 0 0 441.578 4.192 50 0 IIAARN CCOC(=O)c1c(CN2CCOCC2)oc2c1c(Cl)c(OC(C)=O)c1ccccc21 ZINC000039929678 569481910 /nfs/dbraw/zinc/48/19/10/569481910.db2.gz YILUQLYBJSJGOT-UHFFFAOYSA-N 0 0 431.872 4.174 50 0 IIAARN COc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cc1ccccc1 ZINC000040012059 569482519 /nfs/dbraw/zinc/48/25/19/569482519.db2.gz KIKMNXPSKLQSMN-UHFFFAOYSA-N 0 0 436.533 4.078 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c(=O)oc2c1 ZINC000040016003 569482556 /nfs/dbraw/zinc/48/25/56/569482556.db2.gz FDJDESSZAHKCLL-OAQYLSRUSA-N 0 0 431.492 4.283 50 0 IIAARN COc1cccc2cc(-c3nnc(S[C@@H](C)c4nc5ccccc5c(=O)[nH]4)n3C)oc21 ZINC000008884849 569483145 /nfs/dbraw/zinc/48/31/45/569483145.db2.gz MNUDQJMAFJKKNV-LBPRGKRZSA-N 0 0 433.493 4.327 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCc2csc(-c3ccco3)n2)cc1 ZINC000040040766 569483509 /nfs/dbraw/zinc/48/35/09/569483509.db2.gz WZPAEOSGTJHSCI-UHFFFAOYSA-N 0 0 448.566 4.110 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc2c(c1)CCC2 ZINC000008896775 569483948 /nfs/dbraw/zinc/48/39/48/569483948.db2.gz NMFJDDCLYPWJCV-UHFFFAOYSA-N 0 0 431.521 4.201 50 0 IIAARN COc1ccc(-c2nc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)co2)cc1 ZINC000040050359 569484202 /nfs/dbraw/zinc/48/42/02/569484202.db2.gz UWLQBYDKMOWOKM-UHFFFAOYSA-N 0 0 442.468 4.473 50 0 IIAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058994 569484750 /nfs/dbraw/zinc/48/47/50/569484750.db2.gz YNZXIMXBCCNBHV-WMZHIEFXSA-N 0 0 444.560 4.382 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1C ZINC000008912582 569485081 /nfs/dbraw/zinc/48/50/81/569485081.db2.gz ATOKQDHCLRKVMW-UHFFFAOYSA-N 0 0 431.536 4.000 50 0 IIAARN COc1cc(C(=O)Nc2nnc(CSCc3ccccc3)s2)cc(OC)c1OC ZINC000008914777 569485431 /nfs/dbraw/zinc/48/54/31/569485431.db2.gz YYBWWLARDOFBSQ-UHFFFAOYSA-N 0 0 431.539 4.250 50 0 IIAARN CCOc1ccc([C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2ccccc2)cc1 ZINC000040089211 569487070 /nfs/dbraw/zinc/48/70/70/569487070.db2.gz NNDBVRGJHBSHFY-VWLOTQADSA-N 0 0 425.488 4.151 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)o1)CCCC2 ZINC000008924375 569487178 /nfs/dbraw/zinc/48/71/78/569487178.db2.gz ODMDSEDOFDVOBN-UHFFFAOYSA-N 0 0 429.523 4.194 50 0 IIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000069009338 569487413 /nfs/dbraw/zinc/48/74/13/569487413.db2.gz ANEHORNEEXCBPH-UHFFFAOYSA-N 0 0 434.439 4.026 50 0 IIAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])CC1 ZINC000008932641 569487665 /nfs/dbraw/zinc/48/76/65/569487665.db2.gz OZXQWJFDFJEWGT-UHFFFAOYSA-N 0 0 447.963 4.215 50 0 IIAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])CC1 ZINC000008932601 569487671 /nfs/dbraw/zinc/48/76/71/569487671.db2.gz CZCYOVUPXZOSOK-UHFFFAOYSA-N 0 0 447.963 4.215 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933054 569487717 /nfs/dbraw/zinc/48/77/17/569487717.db2.gz XEARGGVKHDYKKM-GCJKJVERSA-N 0 0 428.536 4.094 50 0 IIAARN Cc1cc(F)ccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933065 569487733 /nfs/dbraw/zinc/48/77/33/569487733.db2.gz JFCFAOBEQRUTJE-UHFFFAOYSA-N 0 0 440.478 4.486 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1OC ZINC000040106664 569488397 /nfs/dbraw/zinc/48/83/97/569488397.db2.gz RUQKPBCAPPIBQA-UHFFFAOYSA-N 0 0 426.494 4.065 50 0 IIAARN COc1ccccc1CCNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000008942060 569488663 /nfs/dbraw/zinc/48/86/63/569488663.db2.gz DYXPZQYQCOYBQK-UHFFFAOYSA-N 0 0 447.560 4.191 50 0 IIAARN O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110608 569488754 /nfs/dbraw/zinc/48/87/54/569488754.db2.gz JBLNXWSPMMMLNV-UHFFFAOYSA-N 0 0 425.488 4.463 50 0 IIAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)Nc1ccc(F)cc1)c2=O ZINC000008955229 569490099 /nfs/dbraw/zinc/49/00/99/569490099.db2.gz KEWDCIPYIXMHGD-UHFFFAOYSA-N 0 0 428.876 4.260 50 0 IIAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)Nc1ccc(C)c(Cl)c1)c2=O ZINC000008956066 569490215 /nfs/dbraw/zinc/49/02/15/569490215.db2.gz ZXRZEFCCYFIJNS-UHFFFAOYSA-N 0 0 430.942 4.490 50 0 IIAARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)cc1 ZINC000040135669 569490795 /nfs/dbraw/zinc/49/07/95/569490795.db2.gz JJHIVBVYVZTSLE-QFIPXVFZSA-N 0 0 443.547 4.231 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1F ZINC000008961041 569490865 /nfs/dbraw/zinc/49/08/65/569490865.db2.gz AWVBDWGBQLOIAC-UHFFFAOYSA-N 0 0 428.441 4.017 50 0 IIAARN CC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964528 569491305 /nfs/dbraw/zinc/49/13/05/569491305.db2.gz QJDCMTKAGGWMJW-NZCWTCFWSA-N 0 0 440.524 4.310 50 0 biogenic IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000008965199 569491345 /nfs/dbraw/zinc/49/13/45/569491345.db2.gz OEMPDSQSXJDJRS-FQEVSTJZSA-N 0 0 428.536 4.114 50 0 IIAARN O=S(=O)(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008966242 569491716 /nfs/dbraw/zinc/49/17/16/569491716.db2.gz WYDZLZIFXRUBKN-SFHVURJKSA-N 0 0 440.546 4.111 50 0 IIAARN CSc1ccc(-c2csc(NC(=O)c3cccc(OCC(=O)N(C)C)c3)n2)cc1 ZINC000040141311 569491736 /nfs/dbraw/zinc/49/17/36/569491736.db2.gz IUZLXERAQRCVQI-UHFFFAOYSA-N 0 0 427.551 4.251 50 0 IIAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000040145440 569492094 /nfs/dbraw/zinc/49/20/94/569492094.db2.gz UJESOJOFRCQSEF-UHFFFAOYSA-N 0 0 437.443 4.440 50 0 IIAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1C ZINC000008977125 569492956 /nfs/dbraw/zinc/49/29/56/569492956.db2.gz LABJSLMZUIILSC-UHFFFAOYSA-N 0 0 430.570 4.044 50 0 IIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000008977301 569493031 /nfs/dbraw/zinc/49/30/31/569493031.db2.gz MUUWNXDRMSHJJW-UHFFFAOYSA-N 0 0 430.526 4.195 50 0 IIAARN O=C(Nc1ncccc1I)c1cc(Br)ccc1Cl ZINC000040158045 569494459 /nfs/dbraw/zinc/49/44/59/569494459.db2.gz ONEAFCUGXVGHPC-UHFFFAOYSA-N 0 0 437.462 4.354 50 0 IIAARN CN(CCCc1cc(-c2cccc(F)c2)n(C)n1)S(=O)(=O)c1ccc(Cl)s1 ZINC000040158361 569494500 /nfs/dbraw/zinc/49/45/00/569494500.db2.gz TXVOJSXHNMYQBP-UHFFFAOYSA-N 0 0 427.954 4.194 50 0 IIAARN COc1ccc(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000008982850 569494552 /nfs/dbraw/zinc/49/45/52/569494552.db2.gz PZPCNIXQMYKZAR-UHFFFAOYSA-N 0 0 428.337 4.286 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 ZINC000008984450 569494750 /nfs/dbraw/zinc/49/47/50/569494750.db2.gz ZNZIAOANVHYBQJ-UHFFFAOYSA-N 0 0 435.574 4.207 50 0 IIAARN Cc1cc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc2ccccc12 ZINC000040160635 569495100 /nfs/dbraw/zinc/49/51/00/569495100.db2.gz YSOIMBIIFMTOEU-UHFFFAOYSA-N 0 0 431.927 4.069 50 0 IIAARN COc1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000009029113 569497062 /nfs/dbraw/zinc/49/70/62/569497062.db2.gz DPBQYDSJUQPKPD-CQSZACIVSA-N 0 0 441.553 4.177 50 0 IIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000009034049 569497191 /nfs/dbraw/zinc/49/71/91/569497191.db2.gz UTCNGPPJJBVTAU-URXFXBBRSA-N 0 0 428.444 4.278 50 0 biogenic IIAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000040267863 569497517 /nfs/dbraw/zinc/49/75/17/569497517.db2.gz HMCUKQUWMVXFLQ-UHFFFAOYSA-N 0 0 441.506 4.388 50 0 IIAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009042364 569497747 /nfs/dbraw/zinc/49/77/47/569497747.db2.gz DMTIUQLDPJKHQU-UHFFFAOYSA-N 0 0 442.324 4.263 50 0 IIAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040284139 569497943 /nfs/dbraw/zinc/49/79/43/569497943.db2.gz KMMDHNKBYBKIIV-ZEQRLZLVSA-N 0 0 439.471 4.446 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c1cccc3Br)CC2 ZINC000040312786 569498937 /nfs/dbraw/zinc/49/89/37/569498937.db2.gz XXOQHNBHTLWIAY-UHFFFAOYSA-N 0 0 429.314 4.006 50 0 biogenic IIAARN COc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000009056286 569498962 /nfs/dbraw/zinc/49/89/62/569498962.db2.gz DDDDPRQLGDDKMC-QGZVFWFLSA-N 0 0 445.548 4.307 50 0 IIAARN CN(CCc1ccccn1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355827 569499904 /nfs/dbraw/zinc/49/99/04/569499904.db2.gz RAZHBPOWQNJUOP-UHFFFAOYSA-N 0 0 435.336 4.412 50 0 IIAARN Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000009067477 569500046 /nfs/dbraw/zinc/50/00/46/569500046.db2.gz DQZXRLXTBAAGEG-UHFFFAOYSA-N 0 0 449.473 4.491 50 0 IIAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000009076672 569500346 /nfs/dbraw/zinc/50/03/46/569500346.db2.gz NVNSTRXMVZBYTQ-YKSBVNFPSA-N 0 0 429.472 4.053 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245240052 569500595 /nfs/dbraw/zinc/50/05/95/569500595.db2.gz NZMGZIJFAYGAPN-NXMSCROESA-N 0 0 445.629 4.427 50 0 IIAARN COc1ccccc1NC(=S)NC1CCC(NC(=S)Nc2ccccc2OC)CC1 ZINC000009096756 569501437 /nfs/dbraw/zinc/50/14/37/569501437.db2.gz AFNNVAWIZOQONS-UHFFFAOYSA-N 0 0 444.626 4.288 50 0 IIAARN C[C@H](NC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 ZINC000009104008 569501777 /nfs/dbraw/zinc/50/17/77/569501777.db2.gz GYDDOLDEUITNMM-YOEHRIQHSA-N 0 0 449.532 4.421 50 0 IIAARN O=C(Nc1nccs1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101940 569501796 /nfs/dbraw/zinc/50/17/96/569501796.db2.gz UEVQZQBHCRFJRI-UHFFFAOYSA-N 0 0 426.448 4.497 50 0 IIAARN C[C@H](NC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 ZINC000009104000 569501811 /nfs/dbraw/zinc/50/18/11/569501811.db2.gz GYDDOLDEUITNMM-WMLDXEAASA-N 0 0 449.532 4.421 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000009109110 569501865 /nfs/dbraw/zinc/50/18/65/569501865.db2.gz WTUUHEXSDCWFIH-UHFFFAOYSA-N 0 0 431.855 4.478 50 0 IIAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(OC)cc4)nc(N)c23)CO1 ZINC000009111316 569502286 /nfs/dbraw/zinc/50/22/86/569502286.db2.gz ZRIYBOHMJXUWPH-NRFANRHFSA-N 0 0 444.582 4.254 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/nfs/dbraw/zinc/50/92/05/569509205.db2.gz FYEBGEJVNFUHSJ-UHFFFAOYSA-N 0 0 446.569 4.294 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc5c(s4)CCCC5)cc3C2=O)cc1 ZINC000009169786 569509267 /nfs/dbraw/zinc/50/92/67/569509267.db2.gz OBQNFLBNBSETOW-UHFFFAOYSA-N 0 0 447.516 4.474 50 0 IIAARN CCN1c2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2OCC(C)(C)C1=O ZINC000009170509 569509342 /nfs/dbraw/zinc/50/93/42/569509342.db2.gz UTMAOQHUWONUFR-UHFFFAOYSA-N 0 0 430.570 4.493 50 0 IIAARN CCN1c2cc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009170847 569509378 /nfs/dbraw/zinc/50/93/78/569509378.db2.gz XROBMTACONCRHM-UHFFFAOYSA-N 0 0 446.569 4.294 50 0 IIAARN COc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 ZINC000009180067 569509771 /nfs/dbraw/zinc/50/97/71/569509771.db2.gz YPRWMQLOFTZWQB-UHFFFAOYSA-N 0 0 434.444 4.085 50 0 IIAARN Cc1ccc(C)c(-n2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000009185367 569510137 /nfs/dbraw/zinc/51/01/37/569510137.db2.gz ZGPPZIWCSDZNCJ-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(CC)cc2)cc1 ZINC000009197125 569510964 /nfs/dbraw/zinc/51/09/64/569510964.db2.gz SSHAYBABNAKZHY-LEWJYISDSA-N 0 0 437.569 4.199 50 0 IIAARN O=C(CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000009204325 569511306 /nfs/dbraw/zinc/51/13/06/569511306.db2.gz CXAITTMCCRKDPA-UHFFFAOYSA-N 0 0 436.393 4.083 50 0 IIAARN O=C(COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1)N1CCCC1 ZINC000009208122 569511423 /nfs/dbraw/zinc/51/14/23/569511423.db2.gz IGZYEXDEHGENOH-XMMPIXPASA-N 0 0 431.492 4.048 50 0 IIAARN COc1ccc(-c2nnc(SCCCC(=O)c3ccc(Br)cc3)n2N)cc1 ZINC000009217282 569512265 /nfs/dbraw/zinc/51/22/65/569512265.db2.gz MSHZCESHYPONLA-UHFFFAOYSA-N 0 0 447.358 4.185 50 0 IIAARN COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000009222830 569512819 /nfs/dbraw/zinc/51/28/19/569512819.db2.gz RSCUNJLFCHTFFG-UHFFFAOYSA-N 0 0 438.911 4.458 50 0 IIAARN O=C(c1cc2c(cccc2F)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000009223231 569512873 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/nfs/dbraw/zinc/27/78/10/523277810.db2.gz FTHGZIRNXUULJY-UHFFFAOYSA-N 0 0 426.446 4.345 50 0 IIAARN CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)nc21 ZINC000021868092 523279280 /nfs/dbraw/zinc/27/92/80/523279280.db2.gz GZWVDOQFILRKQF-CYBMUJFWSA-N 0 0 437.525 4.094 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O ZINC000012770653 523295067 /nfs/dbraw/zinc/29/50/67/523295067.db2.gz MUIUVKGYHJLKDE-UHFFFAOYSA-N 0 0 435.505 4.003 50 0 IIAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCCC2)c2ccccc21 ZINC000020439148 523301196 /nfs/dbraw/zinc/30/11/96/523301196.db2.gz RQOCOCSJKKRTDN-QNGOZBTKSA-N 0 0 447.535 4.072 50 0 IIAARN CCn1cc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2C)c2ccccc21 ZINC000057291689 523322311 /nfs/dbraw/zinc/32/23/11/523322311.db2.gz KSEWUUSCSZOPHM-UHFFFAOYSA-N 0 0 447.564 4.254 50 0 IIAARN CN(Cc1ccccc1)C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000013128409 523329538 /nfs/dbraw/zinc/32/95/38/523329538.db2.gz WWHDDXYFHLKUSM-UHFFFAOYSA-N 0 0 449.624 4.063 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC(n3c4ncccc4nc3[C@@H]3CCCO3)CC2)cc1 ZINC000012508366 523384689 /nfs/dbraw/zinc/38/46/89/523384689.db2.gz IVEWWWPKQOPSDJ-NJTIBFSMSA-N 0 0 432.524 4.168 50 0 IIAARN CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000009516303 523442544 /nfs/dbraw/zinc/44/25/44/523442544.db2.gz RGQAOKMDTYTSSJ-UHFFFAOYSA-N 0 0 435.578 4.201 50 0 IIAARN COCCCn1c(S[C@@H](C)c2ccc(F)cc2)nc2cc(C(=O)OC)ccc2c1=O ZINC000032945452 523500797 /nfs/dbraw/zinc/50/07/97/523500797.db2.gz JVFZCHBPOHDIBV-AWEZNQCLSA-N 0 0 430.501 4.212 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000024395631 523521488 /nfs/dbraw/zinc/52/14/88/523521488.db2.gz PPVBAWBYWPVDLD-QHCPKHFHSA-N 0 0 438.531 4.096 50 0 IIAARN COc1ccc(C(=O)C2CCN(CC(=O)NC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012825242 523575519 /nfs/dbraw/zinc/57/55/19/523575519.db2.gz PRWHAZFKVVRCLS-UHFFFAOYSA-N 0 0 440.543 4.476 50 0 IIAARN COc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC ZINC000012926515 523581164 /nfs/dbraw/zinc/58/11/64/523581164.db2.gz ZLUYIDKHHFTUIV-UHFFFAOYSA-N 0 0 430.888 4.086 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)c(C)c1 ZINC000033311569 523639541 /nfs/dbraw/zinc/63/95/41/523639541.db2.gz RBZZEVBVHYOIIA-FQEVSTJZSA-N 0 0 436.552 4.171 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(N(C)C)cc3)C2)c2ccccc12 ZINC000012565298 523640320 /nfs/dbraw/zinc/64/03/20/523640320.db2.gz YXXJVKGKSHLPNZ-SFHVURJKSA-N 0 0 431.536 4.405 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000021786067 523650254 /nfs/dbraw/zinc/65/02/54/523650254.db2.gz BGAUYFXFLJSUAR-UHFFFAOYSA-N 0 0 439.518 4.481 50 0 IIAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035949276 523650654 /nfs/dbraw/zinc/65/06/54/523650654.db2.gz DBBDIZTXHSXNET-VWLOTQADSA-N 0 0 449.595 4.421 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000036041247 523670282 /nfs/dbraw/zinc/67/02/82/523670282.db2.gz UNTJLRXCGAJFMS-BJKOFHAPSA-N 0 0 432.495 4.007 50 0 IIAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000035889725 523709802 /nfs/dbraw/zinc/70/98/02/523709802.db2.gz MYFOPDFYJLMAMI-UHFFFAOYSA-N 0 0 430.552 4.294 50 0 IIAARN CCc1cc(-c2csc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)on1 ZINC000033290280 523735944 /nfs/dbraw/zinc/73/59/44/523735944.db2.gz FTUALCNQQNGPMH-UHFFFAOYSA-N 0 0 437.974 4.130 50 0 IIAARN CC[C@H](C(=O)N(C)Cc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607701 523752859 /nfs/dbraw/zinc/75/28/59/523752859.db2.gz UOIQVHRMRLOCSI-LLVKDONJSA-N 0 0 438.281 4.041 50 0 IIAARN COc1ccc(C)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127996 523833355 /nfs/dbraw/zinc/83/33/55/523833355.db2.gz XMJBPQAIJLBQHL-JOCHJYFZSA-N 0 0 429.520 4.326 50 0 IIAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2sccc2C)CC1)c1ccccc1 ZINC000012373609 523834708 /nfs/dbraw/zinc/83/47/08/523834708.db2.gz HYLBJGLYMLINDZ-FQEVSTJZSA-N 0 0 438.553 4.057 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860269 523842314 /nfs/dbraw/zinc/84/23/14/523842314.db2.gz AAJXHVAPNILJLH-UHFFFAOYSA-N 0 0 438.487 4.267 50 0 IIAARN COCCNC(=O)CSc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000012424026 523899312 /nfs/dbraw/zinc/89/93/12/523899312.db2.gz YRXHOTJFGAACQF-UHFFFAOYSA-N 0 0 428.337 4.205 50 0 IIAARN COc1ccc(CC(=O)Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 ZINC000021654792 523913237 /nfs/dbraw/zinc/91/32/37/523913237.db2.gz ZHWHMVKLMBAXIT-UHFFFAOYSA-N 0 0 439.522 4.070 50 0 IIAARN COCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899126 523928980 /nfs/dbraw/zinc/92/89/80/523928980.db2.gz KQSMEWTWDZTZQI-NSHDSACASA-N 0 0 435.368 4.027 50 0 IIAARN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000012278430 523952289 /nfs/dbraw/zinc/95/22/89/523952289.db2.gz FBZGKRPPMBLBBQ-VWLOTQADSA-N 0 0 448.611 4.233 50 0 IIAARN COc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000012925752 523999181 /nfs/dbraw/zinc/99/91/81/523999181.db2.gz XJRLRMFGERIGJM-FQEVSTJZSA-N 0 0 446.547 4.368 50 0 IIAARN COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000012604891 524000135 /nfs/dbraw/zinc/00/01/35/524000135.db2.gz ZUNLKTRFKOIJMT-UHFFFAOYSA-N 0 0 446.475 4.046 50 0 IIAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012459591 524001723 /nfs/dbraw/zinc/00/17/23/524001723.db2.gz VFCMRNPRYQRYTQ-DEOSSOPVSA-N 0 0 447.579 4.169 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035399363 524011853 /nfs/dbraw/zinc/01/18/53/524011853.db2.gz KWNSUVULAPHYQC-UHFFFAOYSA-N 0 0 437.565 4.154 50 0 biogenic IIAARN COC(=O)[C@]1(Cc2ccccc2)C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)C1=O ZINC000012384118 524014403 /nfs/dbraw/zinc/01/44/03/524014403.db2.gz LLBZRXAOWWABSN-HTAPYJJXSA-N 0 0 445.309 4.044 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)COC(=O)c2c(NC(C)=O)sc3c2CCCC3)cc1 ZINC000021376603 524022422 /nfs/dbraw/zinc/02/24/22/524022422.db2.gz WZVWIMOIELNGNU-CQSZACIVSA-N 0 0 428.554 4.182 50 0 IIAARN COc1ccc(CN2Cc3cc(NC(=O)c4cccc(OC)c4)ccc3O[C@H](C)C2=O)cc1 ZINC000035885030 524043323 /nfs/dbraw/zinc/04/33/23/524043323.db2.gz RNZHOMGRYOXPGR-QGZVFWFLSA-N 0 0 446.503 4.266 50 0 IIAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3C)C2=O)cc1F ZINC000021658166 524043353 /nfs/dbraw/zinc/04/33/53/524043353.db2.gz QTPPMHRLNBWJSM-UHFFFAOYSA-N 0 0 426.469 4.478 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1OC ZINC000012882827 524046272 /nfs/dbraw/zinc/04/62/72/524046272.db2.gz BDIZGYHHNBAXHK-UHFFFAOYSA-N 0 0 432.520 4.026 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c(OC)c1 ZINC000035398438 524046313 /nfs/dbraw/zinc/04/63/13/524046313.db2.gz RIRXZACOMTVBDD-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN CCc1ccc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)sc2c1 ZINC000012565640 524060286 /nfs/dbraw/zinc/06/02/86/524060286.db2.gz QWFXXJYMCVMZOO-SFHVURJKSA-N 0 0 429.567 4.041 50 0 IIAARN CCc1cccc(-n2c(SCc3ccc(OC)c(F)c3)nnc2N2CCOCC2)c1 ZINC000012586677 524061715 /nfs/dbraw/zinc/06/17/15/524061715.db2.gz GUJLTJNEOJUMIG-UHFFFAOYSA-N 0 0 428.533 4.106 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)cc1 ZINC000033005974 524066238 /nfs/dbraw/zinc/06/62/38/524066238.db2.gz MWFZZDDAXNMBEK-UHFFFAOYSA-N 0 0 441.531 4.309 50 0 IIAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccccc1C(C)C ZINC000012597990 524078154 /nfs/dbraw/zinc/07/81/54/524078154.db2.gz OLBLJVHBGSSRCP-INIZCTEOSA-N 0 0 437.569 4.302 50 0 IIAARN Cc1ccc2oc(CN3CCN(C(=O)Nc4cccc(Br)c4)CC3)nc2c1 ZINC000035534489 524094768 /nfs/dbraw/zinc/09/47/68/524094768.db2.gz WRTINUXAICWFOG-UHFFFAOYSA-N 0 0 429.318 4.248 50 0 IIAARN Cc1ccc(C)c(CS(=O)(=O)c2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 ZINC000015999054 524106570 /nfs/dbraw/zinc/10/65/70/524106570.db2.gz BMMHHAKDADWXEZ-QGZVFWFLSA-N 0 0 437.562 4.272 50 0 IIAARN Cc1ccc(C)c(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)c1 ZINC000021658302 524120164 /nfs/dbraw/zinc/12/01/64/524120164.db2.gz RHLVVAYESARVDO-UHFFFAOYSA-N 0 0 436.489 4.368 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036060318 524121393 /nfs/dbraw/zinc/12/13/93/524121393.db2.gz FKIBIBXDHXWGQS-FCHUYYIVSA-N 0 0 426.944 4.217 50 0 IIAARN C[C@@H](C(=O)N1CCCc2ccccc21)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057665 524122787 /nfs/dbraw/zinc/12/27/87/524122787.db2.gz LPRXPNKHKURBIG-AWEZNQCLSA-N 0 0 434.883 4.245 50 0 IIAARN COc1ccc(CSC2=Nc3cc(OC)c(OC)cc3C3=NC(=O)[C@@H](C(C)C)N32)cc1 ZINC000012856213 524123957 /nfs/dbraw/zinc/12/39/57/524123957.db2.gz VDRLEEOGZPBLDQ-HXUWFJFHSA-N 0 0 439.537 4.260 50 0 IIAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)o3)no2)c1 ZINC000021355614 524134987 /nfs/dbraw/zinc/13/49/87/524134987.db2.gz OGMPXDOLOBGRDW-UHFFFAOYSA-N 0 0 425.470 4.193 50 0 IIAARN COc1cccc([C@@H]2c3cccn3CCN2C(=O)CN(C(=O)CC(C)(C)C)C(C)C)c1 ZINC000035829821 524136672 /nfs/dbraw/zinc/13/66/72/524136672.db2.gz PVWCAWRVZPWQDL-XMMPIXPASA-N 0 0 425.573 4.102 50 0 IIAARN Cc1cccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012526946 524140406 /nfs/dbraw/zinc/14/04/06/524140406.db2.gz KIVUICVMEKWBFN-QGZVFWFLSA-N 0 0 447.564 4.063 50 0 IIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1 ZINC000041086085 524150571 /nfs/dbraw/zinc/15/05/71/524150571.db2.gz ISCKCAPSTIOKTL-UHFFFAOYSA-N 0 0 438.538 4.099 50 0 IIAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903646 524180569 /nfs/dbraw/zinc/18/05/69/524180569.db2.gz NVUQXGZDKFTPTA-PMACEKPBSA-N 0 0 435.568 4.207 50 0 IIAARN COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(C(C)=O)cc4)CC3)nc21 ZINC000012345056 524188807 /nfs/dbraw/zinc/18/88/07/524188807.db2.gz PTCPBWVKFPQXSO-UHFFFAOYSA-N 0 0 429.929 4.123 50 0 IIAARN COc1cccc2[nH]c(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc21 ZINC000012391100 524194354 /nfs/dbraw/zinc/19/43/54/524194354.db2.gz HERKJXFHDGTOLH-UHFFFAOYSA-N 0 0 432.307 4.082 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012542235 524199045 /nfs/dbraw/zinc/19/90/45/524199045.db2.gz OAHQYIJQJFXUCE-UHFFFAOYSA-N 0 0 436.961 4.474 50 0 IIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)c(C)c1 ZINC000012808656 524211552 /nfs/dbraw/zinc/21/15/52/524211552.db2.gz OZUARMTZIJEMGI-UHFFFAOYSA-N 0 0 441.578 4.310 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCc4ccco4)no3)cc2)c1 ZINC000021705315 524218851 /nfs/dbraw/zinc/21/88/51/524218851.db2.gz ZLQGZQUCFYXBJE-UHFFFAOYSA-N 0 0 431.448 4.337 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2Sc2ncccc2C1=O ZINC000021540177 524225755 /nfs/dbraw/zinc/22/57/55/524225755.db2.gz JETQFHBTDFJHKJ-UHFFFAOYSA-N 0 0 425.897 4.494 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1OCCOc1ccccc1 ZINC000015914035 524240485 /nfs/dbraw/zinc/24/04/85/524240485.db2.gz LGFBFOMIBNBSPE-OAQYLSRUSA-N 0 0 447.531 4.439 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032974051 524241836 /nfs/dbraw/zinc/24/18/36/524241836.db2.gz TWHHXZGZDCIRDJ-GOSISDBHSA-N 0 0 449.016 4.268 50 0 IIAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)c(C)c1 ZINC000033271048 524280713 /nfs/dbraw/zinc/28/07/13/524280713.db2.gz WDKIMBWBHXIFCJ-UHFFFAOYSA-N 0 0 449.540 4.039 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2nc3cccnc3n2C2CCCCC2)cc1C ZINC000021155578 524320377 /nfs/dbraw/zinc/32/03/77/524320377.db2.gz JLFYDKWDSACTBO-UHFFFAOYSA-N 0 0 426.586 4.383 50 0 IIAARN Cc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856980 524321851 /nfs/dbraw/zinc/32/18/51/524321851.db2.gz YCQJJYIIDYOCGV-HHHXNRCGSA-N 0 0 429.564 4.466 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)Nc2ccccc2Br)c1=O ZINC000012414925 524350910 /nfs/dbraw/zinc/35/09/10/524350910.db2.gz YCAFJJDESAGGLY-UHFFFAOYSA-N 0 0 443.326 4.024 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035927342 524358841 /nfs/dbraw/zinc/35/88/41/524358841.db2.gz IFDCYJFAXMSAFM-DEOSSOPVSA-N 0 0 448.500 4.455 50 0 IIAARN COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@@H]2c2ccc(C)cc2)cc1 ZINC000015412514 524390101 /nfs/dbraw/zinc/39/01/01/524390101.db2.gz BSPWIHUAQDAMGF-VWLOTQADSA-N 0 0 446.503 4.142 50 0 IIAARN COc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012476536 524393680 /nfs/dbraw/zinc/39/36/80/524393680.db2.gz HIIHMTVDAXAMOL-GOSISDBHSA-N 0 0 444.522 4.241 50 0 IIAARN COc1ccc(N2C(=O)c3cc(C(C)C)nn3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021852607 524397325 /nfs/dbraw/zinc/39/73/25/524397325.db2.gz SRAHXLVRXYYVHD-RUZDIDTESA-N 0 0 438.572 4.273 50 0 IIAARN COc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021863624 524399123 /nfs/dbraw/zinc/39/91/23/524399123.db2.gz JBKPCXFVSMTKHO-VWLOTQADSA-N 0 0 433.508 4.235 50 0 IIAARN Cc1cccc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c1 ZINC000021904851 524401404 /nfs/dbraw/zinc/40/14/04/524401404.db2.gz RMQAHLJWTYFTNR-UHFFFAOYSA-N 0 0 437.547 4.201 50 0 IIAARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2Br)c1 ZINC000012377817 524417738 /nfs/dbraw/zinc/41/77/38/524417738.db2.gz BFLXQDHCEOVVJD-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)Cc2ccc(F)cc2)C2CC2)o1 ZINC000035767118 524419347 /nfs/dbraw/zinc/41/93/47/524419347.db2.gz QKVDJEDHZOQDRQ-UHFFFAOYSA-N 0 0 434.511 4.490 50 0 IIAARN COc1ccccc1CCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923118 524420379 /nfs/dbraw/zinc/42/03/79/524420379.db2.gz UFGOPCSMBYRLLS-UHFFFAOYSA-N 0 0 440.425 4.396 50 0 IIAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862320 524434306 /nfs/dbraw/zinc/43/43/06/524434306.db2.gz AZZFSBBCZDQGRY-MHZLTWQESA-N 0 0 438.531 4.076 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810773 524445268 /nfs/dbraw/zinc/44/52/68/524445268.db2.gz XVHNQLJYKJSSQF-AREMUKBSSA-N 0 0 449.551 4.415 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021858589 524445287 /nfs/dbraw/zinc/44/52/87/524445287.db2.gz ZIFDBXHPLLYQRJ-AREMUKBSSA-N 0 0 433.552 4.227 50 0 IIAARN COc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021863865 524447680 /nfs/dbraw/zinc/44/76/80/524447680.db2.gz NELJBDGJMWKBRJ-SANMLTNESA-N 0 0 447.535 4.230 50 0 IIAARN COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(OC)c(O)cc3Cl)N3CCC[C@@]23C1=O ZINC000012459592 524455739 /nfs/dbraw/zinc/45/57/39/524455739.db2.gz UTSIGMROCORMLA-UXSWERMXSA-N 0 0 442.943 4.001 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@](CO)(CCOc4ccccc4)C3)cc2)n1 ZINC000012708217 524480003 /nfs/dbraw/zinc/48/00/03/524480003.db2.gz DWPUMOACSZZXLU-AREMUKBSSA-N 0 0 433.552 4.173 50 0 IIAARN COc1ccc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)c(OC)c1 ZINC000020993262 524480928 /nfs/dbraw/zinc/48/09/28/524480928.db2.gz BBMHIUSVLZDMTF-UHFFFAOYSA-N 0 0 435.505 4.239 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)c(C)c1 ZINC000012206266 524483899 /nfs/dbraw/zinc/48/38/99/524483899.db2.gz WVIWPPIVSWGOTF-HXUWFJFHSA-N 0 0 448.567 4.401 50 0 IIAARN COc1ccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(OC)c1 ZINC000012769356 524489590 /nfs/dbraw/zinc/48/95/90/524489590.db2.gz QWARKIMUWBKPLG-UHFFFAOYSA-N 0 0 449.532 4.479 50 0 IIAARN COc1ccccc1CNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307173 524490658 /nfs/dbraw/zinc/49/06/58/524490658.db2.gz PAGSCERCHUKBAR-UHFFFAOYSA-N 0 0 439.468 4.030 50 0 IIAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3nc(N4CCCC4)nc4c3CCCC4)c2)n1 ZINC000012439422 524491446 /nfs/dbraw/zinc/49/14/46/524491446.db2.gz WSVPMDQPIYXJIV-UHFFFAOYSA-N 0 0 444.583 4.030 50 0 IIAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)N4CCCC[C@H]4C)nc-3c3cc(F)ccc32)c1 ZINC000020937086 524494781 /nfs/dbraw/zinc/49/47/81/524494781.db2.gz UMEDINJKIJVNLZ-GOSISDBHSA-N 0 0 446.526 4.200 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033266513 524496790 /nfs/dbraw/zinc/49/67/90/524496790.db2.gz KNBQMBZRVNDZOK-UHFFFAOYSA-N 0 0 443.526 4.377 50 0 IIAARN COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1NC(=O)c1ccccc1C ZINC000032998358 524525421 /nfs/dbraw/zinc/52/54/21/524525421.db2.gz ZXNXNOXYUDGXAH-UHFFFAOYSA-N 0 0 434.492 4.454 50 0 biogenic IIAARN C[C@@H](CCc1ccccc1)NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024608148 524530758 /nfs/dbraw/zinc/53/07/58/524530758.db2.gz ATLRAUCXZOSFNT-KRWDZBQOSA-N 0 0 438.524 4.139 50 0 IIAARN Cc1cc(C)n(Cn2nc(C)c(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2C)n1 ZINC000020616207 524543026 /nfs/dbraw/zinc/54/30/26/524543026.db2.gz MVTHEDUQIGIWGW-UHFFFAOYSA-N 0 0 448.527 4.255 50 0 IIAARN COc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000035447757 524543220 /nfs/dbraw/zinc/54/32/20/524543220.db2.gz XOAXLUZQNCNIMT-UHFFFAOYSA-N 0 0 433.487 4.379 50 0 IIAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccc(Br)cc3)C2)cc1 ZINC000021709076 524544600 /nfs/dbraw/zinc/54/46/00/524544600.db2.gz IGXCRQCGNCUJIS-QFIPXVFZSA-N 0 0 429.358 4.316 50 0 IIAARN Cc1cccc(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1C ZINC000020531009 524550104 /nfs/dbraw/zinc/55/01/04/524550104.db2.gz MFIQBSQSMMGQJH-SANMLTNESA-N 0 0 439.559 4.349 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CC[C@H](c2ccc(F)c(C)c2)C3)CC1 ZINC000034898994 524552377 /nfs/dbraw/zinc/55/23/77/524552377.db2.gz DVXVFNHZGGKESK-FQEVSTJZSA-N 0 0 448.542 4.032 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1ccccc1 ZINC000017243936 524587774 /nfs/dbraw/zinc/58/77/74/524587774.db2.gz KKFUVEBAGRTTKI-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1C(F)(F)F ZINC000065289450 524598970 /nfs/dbraw/zinc/59/89/70/524598970.db2.gz PZHHULMMWMIXRI-CQSZACIVSA-N 0 0 434.462 4.238 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c1C ZINC000020854694 524599291 /nfs/dbraw/zinc/59/92/91/524599291.db2.gz FRXXXFRFRHZNSF-LEWJYISDSA-N 0 0 434.536 4.181 50 0 IIAARN COc1ccccc1NC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561335 524602168 /nfs/dbraw/zinc/60/21/68/524602168.db2.gz KXUVJDYYESCVCK-NRFANRHFSA-N 0 0 446.503 4.438 50 0 IIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)c1C ZINC000035535121 524609159 /nfs/dbraw/zinc/60/91/59/524609159.db2.gz HDXJWBKCEFOXJV-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000012762869 524616701 /nfs/dbraw/zinc/61/67/01/524616701.db2.gz GKCLWQZUQPUOOY-UHFFFAOYSA-N 0 0 447.539 4.332 50 0 IIAARN COc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000012321295 524620191 /nfs/dbraw/zinc/62/01/91/524620191.db2.gz XBBUJBYGJFHKOK-NRFANRHFSA-N 0 0 448.548 4.489 50 0 IIAARN Cc1ccc(CS(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022767561 524638086 /nfs/dbraw/zinc/63/80/86/524638086.db2.gz ZRSOVJXWXPBVKY-HSZRJFAPSA-N 0 0 426.607 4.276 50 0 IIAARN Cc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)c1C ZINC000021800848 524642988 /nfs/dbraw/zinc/64/29/88/524642988.db2.gz ITENJNFPWIFNRQ-UHFFFAOYSA-N 0 0 446.511 4.312 50 0 IIAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012643013 524673542 /nfs/dbraw/zinc/67/35/42/524673542.db2.gz GEJJXIRYQKBAGC-UHFFFAOYSA-N 0 0 438.549 4.154 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccccc3Br)s2)cc1 ZINC000012781297 524694505 /nfs/dbraw/zinc/69/45/05/524694505.db2.gz SWGIYCAUWFMENP-UHFFFAOYSA-N 0 0 444.354 4.173 50 0 IIAARN COc1ccccc1[C@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012784844 524775663 /nfs/dbraw/zinc/77/56/63/524775663.db2.gz JTDFQUWNNYXIOR-INIZCTEOSA-N 0 0 433.533 4.319 50 0 IIAARN COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1)N(C)C ZINC000012761115 524792766 /nfs/dbraw/zinc/79/27/66/524792766.db2.gz QCSXILYGMUYMGG-QFIPXVFZSA-N 0 0 434.536 4.316 50 0 IIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(C)cs2)c1 ZINC000021482020 524795690 /nfs/dbraw/zinc/79/56/90/524795690.db2.gz CVPCESAXMZEHON-UHFFFAOYSA-N 0 0 434.521 4.251 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c1 ZINC000035398527 524831640 /nfs/dbraw/zinc/83/16/40/524831640.db2.gz JQQNXPPFBKEOLB-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532647 524891684 /nfs/dbraw/zinc/89/16/84/524891684.db2.gz MEQQKHCDNYIFQA-UHFFFAOYSA-N 0 0 445.972 4.268 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012809719 524892895 /nfs/dbraw/zinc/89/28/95/524892895.db2.gz PTQOERDUHYDWSB-SFHVURJKSA-N 0 0 437.323 4.104 50 0 IIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCCCC2)C3=O)cc1Cl ZINC000012462303 524921343 /nfs/dbraw/zinc/92/13/43/524921343.db2.gz AAHPGXIEGQZWOP-HSZRJFAPSA-N 0 0 441.984 4.371 50 0 IIAARN Cc1ccc(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1F ZINC000021658295 524925250 /nfs/dbraw/zinc/92/52/50/524925250.db2.gz IRHGWAZTTZXPJX-UHFFFAOYSA-N 0 0 440.452 4.198 50 0 IIAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021860777 524932966 /nfs/dbraw/zinc/93/29/66/524932966.db2.gz ZCRKFLGPGBQFHF-QVTSAQFISA-N 0 0 430.552 4.459 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3ccc(-c4nccnc4N4CCCC4)cc3)CC2)cc1 ZINC000033313075 524961673 /nfs/dbraw/zinc/96/16/73/524961673.db2.gz KTOQFDCMUKXFLK-UHFFFAOYSA-N 0 0 427.552 4.015 50 0 IIAARN COc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000012748681 524967758 /nfs/dbraw/zinc/96/77/58/524967758.db2.gz ANANDIRHLQKNOO-INIZCTEOSA-N 0 0 442.924 4.227 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000017041047 525033203 /nfs/dbraw/zinc/03/32/03/525033203.db2.gz QBAFMERCOOJCIA-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Nc4ccccc4)ccc32)cc1 ZINC000022505436 525033457 /nfs/dbraw/zinc/03/34/57/525033457.db2.gz QRIMATQVMLPBML-UHFFFAOYSA-N 0 0 437.521 4.481 50 0 IIAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000012770360 525052409 /nfs/dbraw/zinc/05/24/09/525052409.db2.gz RNPYJWZZWZGVGQ-UHFFFAOYSA-N 0 0 437.927 4.305 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)(C)C)c2)C[C@H](C)O1 ZINC000015302043 525053704 /nfs/dbraw/zinc/05/37/04/525053704.db2.gz LJTAXACFAHEUCN-CALCHBBNSA-N 0 0 430.570 4.034 50 0 IIAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1C ZINC000022767477 525061396 /nfs/dbraw/zinc/06/13/96/525061396.db2.gz BJFLNSIUDGMMEF-QFIPXVFZSA-N 0 0 442.606 4.143 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(CCOc2ccccc2)C1=O ZINC000035909152 525062172 /nfs/dbraw/zinc/06/21/72/525062172.db2.gz ZZFJWFZSSAOCCC-GOSISDBHSA-N 0 0 448.494 4.195 50 0 IIAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1 ZINC000012791108 525082306 /nfs/dbraw/zinc/08/23/06/525082306.db2.gz MCIOSQUOYYREPK-OAHLLOKOSA-N 0 0 436.387 4.364 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)c(C)c1 ZINC000035531892 525085516 /nfs/dbraw/zinc/08/55/16/525085516.db2.gz HNYDYFAFZQQLBU-UHFFFAOYSA-N 0 0 441.582 4.109 50 0 IIAARN Cc1ccccc1CC(=O)N1CCC(COc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000035528172 525092063 /nfs/dbraw/zinc/09/20/63/525092063.db2.gz PPWCWKXVLQJFKZ-UHFFFAOYSA-N 0 0 434.580 4.481 50 0 IIAARN C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccc(C(F)(F)F)c1 ZINC000014775779 525096369 /nfs/dbraw/zinc/09/63/69/525096369.db2.gz OKFLAZCBXPHOQQ-LLVKDONJSA-N 0 0 435.471 4.302 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1C ZINC000012462253 525099968 /nfs/dbraw/zinc/09/99/68/525099968.db2.gz VLOAYTBAJBKXQD-UHFFFAOYSA-N 0 0 439.515 4.187 50 0 biogenic,in-vitro IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1cccs1 ZINC000012848907 525126103 /nfs/dbraw/zinc/12/61/03/525126103.db2.gz SCTVDTOSJTVABJ-RHSMWYFYSA-N 0 0 446.573 4.294 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1cc2ccccc2o1 ZINC000012617724 525127326 /nfs/dbraw/zinc/12/73/26/525127326.db2.gz YXGBUFXAVNDHSU-YJYMSZOUSA-N 0 0 437.477 4.298 50 0 IIAARN C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000020676911 525133136 /nfs/dbraw/zinc/13/31/36/525133136.db2.gz LPMVXGPQLXJEIA-YADARESESA-N 0 0 438.531 4.387 50 0 IIAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(Cl)c2)C1=O ZINC000015858419 525164343 /nfs/dbraw/zinc/16/43/43/525164343.db2.gz CRXPWNDHGHPKAX-CYBMUJFWSA-N 0 0 434.945 4.202 50 0 IIAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC(C)C)C(=O)C2CC2)n1CC(C)C ZINC000036039697 525181198 /nfs/dbraw/zinc/18/11/98/525181198.db2.gz ZWJQIXDXQNNBDJ-UHFFFAOYSA-N 0 0 445.629 4.216 50 0 IIAARN COc1ccc([C@@H](CNC(=O)Nc2cccc3ccccc32)N2CCOCC2)cc1OC ZINC000022893556 525184785 /nfs/dbraw/zinc/18/47/85/525184785.db2.gz VLGRMWOHCSSUNL-JOCHJYFZSA-N 0 0 435.524 4.052 50 0 IIAARN COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2nccn2C)cc1 ZINC000012550352 525197312 /nfs/dbraw/zinc/19/73/12/525197312.db2.gz XTQGASYNHVCZSN-BFUOFWGJSA-N 0 0 434.323 4.409 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1F ZINC000021809509 525199092 /nfs/dbraw/zinc/19/90/92/525199092.db2.gz MVTRQEZVYGKXEE-HSZRJFAPSA-N 0 0 425.529 4.315 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000033331691 525199253 /nfs/dbraw/zinc/19/92/53/525199253.db2.gz POPDHWZVTOWFBB-HSZRJFAPSA-N 0 0 425.529 4.315 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccnc1 ZINC000021809596 525201457 /nfs/dbraw/zinc/20/14/57/525201457.db2.gz KZKNWWSPUDNKNR-XMMPIXPASA-N 0 0 436.581 4.352 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C[C@H]1CCCO1 ZINC000015677033 525201636 /nfs/dbraw/zinc/20/16/36/525201636.db2.gz KVDQWXLDAUPPFD-QFQXNSOFSA-N 0 0 437.584 4.264 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000012902992 525211989 /nfs/dbraw/zinc/21/19/89/525211989.db2.gz BDXNAXTYWXAXRA-DLBZAZTESA-N 0 0 444.373 4.435 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c3ccccc3nc2C(=O)N1CCC1=CCCCC1 ZINC000021862387 525212300 /nfs/dbraw/zinc/21/23/00/525212300.db2.gz XJTJICZOJUDYHQ-HHHXNRCGSA-N 0 0 442.563 4.458 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)SCc2nc(N)nc(Nc3ccccc3C)n2)cc1F ZINC000012527907 525214338 /nfs/dbraw/zinc/21/43/38/525214338.db2.gz BLURBDMMCFEHPN-AWEZNQCLSA-N 0 0 426.521 4.214 50 0 IIAARN C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000012778446 525214632 /nfs/dbraw/zinc/21/46/32/525214632.db2.gz DWNJOYKHZZIYFX-MRXNPFEDSA-N 0 0 435.977 4.075 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000012729454 525222471 /nfs/dbraw/zinc/22/24/71/525222471.db2.gz IUYTXZABRSCJLX-LBPRGKRZSA-N 0 0 427.353 4.197 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000012774986 525243741 /nfs/dbraw/zinc/24/37/41/525243741.db2.gz OFXQSHTYYNBBHA-UHFFFAOYSA-N 0 0 440.468 4.409 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012844818 525244214 /nfs/dbraw/zinc/24/42/14/525244214.db2.gz OMSSBLIMSXGUDQ-SFHVURJKSA-N 0 0 437.565 4.168 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062013 525255431 /nfs/dbraw/zinc/25/54/31/525255431.db2.gz OGRBBBALXPSVFB-GOTSBHOMSA-N 0 0 438.568 4.030 50 0 IIAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccc(F)cc4F)CC3)n2)cc1C ZINC000034678178 525256090 /nfs/dbraw/zinc/25/60/90/525256090.db2.gz KCFBMKBMKNLYAC-UHFFFAOYSA-N 0 0 440.494 4.140 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCCC2)cc1 ZINC000036041836 525256686 /nfs/dbraw/zinc/25/66/86/525256686.db2.gz VBAWWSNEQRMPJL-FCHUYYIVSA-N 0 0 426.944 4.217 50 0 IIAARN Cc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cn(C)c3ccccc23)cc1 ZINC000020676534 525263980 /nfs/dbraw/zinc/26/39/80/525263980.db2.gz DXWAKLKNTFZNKE-UHFFFAOYSA-N 0 0 436.625 4.408 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCc2cccc(Cl)c2)s1 ZINC000032987287 525267638 /nfs/dbraw/zinc/26/76/38/525267638.db2.gz HPQMZAXJTLLNAP-UHFFFAOYSA-N 0 0 446.985 4.302 50 0 IIAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccncc1 ZINC000012548451 525333336 /nfs/dbraw/zinc/33/33/36/525333336.db2.gz RRDVOUWVJSAENI-CQSZACIVSA-N 0 0 449.454 4.392 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3Br)CC2)c(F)c1 ZINC000000707665 534849729 /nfs/dbraw/zinc/84/97/29/534849729.db2.gz GWRLWUJRYXYORK-UHFFFAOYSA-N 0 0 441.247 4.031 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3)cc2)N2CCOCC2)cc1 ZINC000012688781 525358852 /nfs/dbraw/zinc/35/88/52/525358852.db2.gz GXJNGROXGKCTOJ-SANMLTNESA-N 0 0 446.547 4.078 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3)c2)N2CCOCC2)cc1 ZINC000023883059 525359447 /nfs/dbraw/zinc/35/94/47/525359447.db2.gz LNJMZWVNLQKGRT-SANMLTNESA-N 0 0 446.547 4.078 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCCCC2)n1 ZINC000021360366 525366052 /nfs/dbraw/zinc/36/60/52/525366052.db2.gz WLWWQKXUIXMRBP-UHFFFAOYSA-N 0 0 428.842 4.465 50 0 IIAARN COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2nccn2C)cc1 ZINC000012550355 525369008 /nfs/dbraw/zinc/36/90/08/525369008.db2.gz XTQGASYNHVCZSN-DJJJIMSYSA-N 0 0 434.323 4.409 50 0 IIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759874 525386635 /nfs/dbraw/zinc/38/66/35/525386635.db2.gz YBBLFYMJWBEQQZ-OKILXGFUSA-N 0 0 438.391 4.401 50 0 IIAARN Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781069 525387922 /nfs/dbraw/zinc/38/79/22/525387922.db2.gz RCAPWOUZGQVZFE-NRFANRHFSA-N 0 0 447.553 4.214 50 0 IIAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(-n2nc3ccccc3n2)c1 ZINC000012447407 525397931 /nfs/dbraw/zinc/39/79/31/525397931.db2.gz QZRGMAPQCVJRKA-UHFFFAOYSA-N 0 0 442.504 4.265 50 0 IIAARN Cc1cc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)ccc1F ZINC000033297516 525400633 /nfs/dbraw/zinc/40/06/33/525400633.db2.gz OZELBQBSYYBLEB-UHFFFAOYSA-N 0 0 441.524 4.434 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000036041847 525422503 /nfs/dbraw/zinc/42/25/03/525422503.db2.gz UGCKEBHTKPUBJO-YADHBBJMSA-N 0 0 426.944 4.217 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C ZINC000021723284 525433905 /nfs/dbraw/zinc/43/39/05/525433905.db2.gz KMJPOPPEQWCOHT-UHFFFAOYSA-N 0 0 434.521 4.408 50 0 IIAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012344221 525442370 /nfs/dbraw/zinc/44/23/70/525442370.db2.gz LMTMKPYTJLWLBQ-QFIPXVFZSA-N 0 0 437.496 4.160 50 0 IIAARN Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)Cc4ccccc4)CC3)no2)cc1C ZINC000012210019 525444096 /nfs/dbraw/zinc/44/40/96/525444096.db2.gz MVMMWKJLAZKVNG-VWLOTQADSA-N 0 0 434.536 4.326 50 0 IIAARN Cc1cccnc1CN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012436070 525509230 /nfs/dbraw/zinc/50/92/30/525509230.db2.gz LUAZQHLGCBXERU-NRFANRHFSA-N 0 0 441.579 4.211 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000020597773 525511991 /nfs/dbraw/zinc/51/19/91/525511991.db2.gz SHSNYBXHAHSZGS-UHFFFAOYSA-N 0 0 430.415 4.365 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc2N1S(C)(=O)=O ZINC000012768968 525519877 /nfs/dbraw/zinc/51/98/77/525519877.db2.gz ZYBMYOKUSBUWTO-GFCCVEGCSA-N 0 0 447.969 4.426 50 0 IIAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)no1 ZINC000021718682 525545467 /nfs/dbraw/zinc/54/54/67/525545467.db2.gz ZATBBSBGCPIOJA-OAHLLOKOSA-N 0 0 431.374 4.282 50 0 IIAARN C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C(F)(F)F)N2C1=O ZINC000021052618 525547161 /nfs/dbraw/zinc/54/71/61/525547161.db2.gz VFMPDUPERZKANU-NSHDSACASA-N 0 0 432.427 4.056 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871718 525550850 /nfs/dbraw/zinc/55/08/50/525550850.db2.gz CRPKHLVTXQHBEY-FBQMUFCQSA-N 0 0 441.575 4.440 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871689 525551587 /nfs/dbraw/zinc/55/15/87/525551587.db2.gz FKJGIQFGUGMSAD-AOYPEHQESA-N 0 0 445.538 4.018 50 0 IIAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cnn1-c1ccccc1C(F)(F)F ZINC000012777038 525554633 /nfs/dbraw/zinc/55/46/33/525554633.db2.gz RVSGAHTWNAFECQ-UHFFFAOYSA-N 0 0 434.393 4.049 50 0 IIAARN Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000013007347 525559105 /nfs/dbraw/zinc/55/91/05/525559105.db2.gz UHHADPJBUJUATP-UHFFFAOYSA-N 0 0 435.553 4.114 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)cc2N(C)C1=O ZINC000041155925 525611518 /nfs/dbraw/zinc/61/15/18/525611518.db2.gz FKFCAPPLTOICHL-NSHDSACASA-N 0 0 442.269 4.100 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccc3Cl)C(C)(C)S[C@@H]21 ZINC000012867675 525611656 /nfs/dbraw/zinc/61/16/56/525611656.db2.gz MCTBNONRRQAZHE-NQIIRXRSSA-N 0 0 446.956 4.022 50 0 biogenic IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCc2ccccc2)C3=O)o1 ZINC000021810765 525617826 /nfs/dbraw/zinc/61/78/26/525617826.db2.gz MDZRVCJKSXBGHS-AREMUKBSSA-N 0 0 433.552 4.449 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1C)C3=O ZINC000021857638 525644067 /nfs/dbraw/zinc/64/40/67/525644067.db2.gz RXAQIHRLPHQRSY-HHHXNRCGSA-N 0 0 445.563 4.432 50 0 IIAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3cc(C)ccc3C)cc(=O)n2o1 ZINC000035378671 525671762 /nfs/dbraw/zinc/67/17/62/525671762.db2.gz XLOIDRMKDDYAEA-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1ccc(Sc2ncccc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000012890003 525672858 /nfs/dbraw/zinc/67/28/58/525672858.db2.gz LEUMRSLQTMFMBY-UHFFFAOYSA-N 0 0 430.533 4.358 50 0 IIAARN Cc1cc2nc(COc3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)cc(=O)n2o1 ZINC000041089661 525673326 /nfs/dbraw/zinc/67/33/26/525673326.db2.gz HDTZXRHIGBHKOR-UHFFFAOYSA-N 0 0 427.819 4.220 50 0 IIAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3cccc(C)c3)cc(=O)n2o1 ZINC000035426802 525676140 /nfs/dbraw/zinc/67/61/40/525676140.db2.gz OWFXEZGJWFWYGG-UHFFFAOYSA-N 0 0 435.505 4.214 50 0 IIAARN Cc1cc2occ(CC(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)c2cc1C(C)C ZINC000021073237 525695619 /nfs/dbraw/zinc/69/56/19/525695619.db2.gz VQZDMBVPOKUIGN-UHFFFAOYSA-N 0 0 434.583 4.035 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2Cc2ccco2)c1 ZINC000012598763 525734360 /nfs/dbraw/zinc/73/43/60/525734360.db2.gz MPZLHWISZDMOPM-CALCHBBNSA-N 0 0 440.569 4.477 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000012736431 525766944 /nfs/dbraw/zinc/76/69/44/525766944.db2.gz DTUUQQVSDDWYSA-UHFFFAOYSA-N 0 0 433.842 4.269 50 0 IIAARN Cc1ccnn1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000021194966 525769441 /nfs/dbraw/zinc/76/94/41/525769441.db2.gz LHWMXQCPHBMKGC-UHFFFAOYSA-N 0 0 446.532 4.258 50 0 IIAARN Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(Br)cc2)c1Cl ZINC000009664400 525784420 /nfs/dbraw/zinc/78/44/20/525784420.db2.gz BGEROGNDTILSCP-UHFFFAOYSA-N 0 0 432.101 4.184 50 0 IIAARN Cc1ccoc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O ZINC000012906815 525785135 /nfs/dbraw/zinc/78/51/35/525785135.db2.gz ZIQUTTCIASHUAZ-ZROIWOOFSA-N 0 0 425.293 4.361 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000021864481 525794779 /nfs/dbraw/zinc/79/47/79/525794779.db2.gz HLKXUELUTJMZRE-SANMLTNESA-N 0 0 446.551 4.397 50 0 IIAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCc1cccs1 ZINC000021858196 525803642 /nfs/dbraw/zinc/80/36/42/525803642.db2.gz RALLLAUFZAADBY-SANMLTNESA-N 0 0 443.572 4.476 50 0 IIAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C)sc3n2)c1 ZINC000020982872 525835620 /nfs/dbraw/zinc/83/56/20/525835620.db2.gz ZFFXLBFFNCLTFY-UHFFFAOYSA-N 0 0 438.534 4.013 50 0 IIAARN Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638638 525840862 /nfs/dbraw/zinc/84/08/62/525840862.db2.gz TUDDEUCIRHTXDW-OAHLLOKOSA-N 0 0 441.519 4.371 50 0 IIAARN C[C@@]1(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)NC1=O ZINC000012872839 525856624 /nfs/dbraw/zinc/85/66/24/525856624.db2.gz UTXVPENHLVBGPM-DEOSSOPVSA-N 0 0 447.516 4.421 50 0 IIAARN C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 ZINC000017989322 525881219 /nfs/dbraw/zinc/88/12/19/525881219.db2.gz AMNLJSKEMCSKCQ-SFHVURJKSA-N 0 0 444.487 4.040 50 0 IIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(Cc3cccc(C(F)(F)F)c3)s1)CS2 ZINC000013006576 525912407 /nfs/dbraw/zinc/91/24/07/525912407.db2.gz LJCJAQHOLKIKPI-KBXCAEBGSA-N 0 0 441.500 4.145 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000036025920 525933802 /nfs/dbraw/zinc/93/38/02/525933802.db2.gz BEPQAIPRCWEPJD-UHFFFAOYSA-N 0 0 446.580 4.155 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)Nc1ccc(Cl)cc1C)nc2C ZINC000020563200 525936569 /nfs/dbraw/zinc/93/65/69/525936569.db2.gz JQVVYGAQBLFPHA-MRXNPFEDSA-N 0 0 435.915 4.361 50 0 IIAARN Cc1cn2c(nc(COc3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000041077411 525941960 /nfs/dbraw/zinc/94/19/60/525941960.db2.gz DUVVFPPKJCQGHX-UHFFFAOYSA-N 0 0 437.546 4.374 50 0 IIAARN Cc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(Br)c1 ZINC000012798006 525948267 /nfs/dbraw/zinc/94/82/67/525948267.db2.gz NCYXGFYGUOCLCB-MDZDMXLPSA-N 0 0 441.369 4.326 50 0 IIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1F ZINC000021935720 525967660 /nfs/dbraw/zinc/96/76/60/525967660.db2.gz YZEDPVODYKBXQS-WDEREUQCSA-N 0 0 430.892 4.218 50 0 IIAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1F ZINC000021935724 525971556 /nfs/dbraw/zinc/97/15/56/525971556.db2.gz YZEDPVODYKBXQS-QWRGUYRKSA-N 0 0 430.892 4.218 50 0 IIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000012526278 525981174 /nfs/dbraw/zinc/98/11/74/525981174.db2.gz CDQUZFFYRKZXRQ-UHFFFAOYSA-N 0 0 435.299 4.404 50 0 IIAARN CSc1ccc(CCNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 ZINC000020514276 525984558 /nfs/dbraw/zinc/98/45/58/525984558.db2.gz YOVDVCJSHJOTEV-UHFFFAOYSA-N 0 0 442.606 4.243 50 0 IIAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1nnc(-c2cccs2)o1 ZINC000012550633 525990214 /nfs/dbraw/zinc/99/02/14/525990214.db2.gz GCDFGAFBNUBGCA-ZDUSSCGKSA-N 0 0 436.584 4.221 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417440 525995088 /nfs/dbraw/zinc/99/50/88/525995088.db2.gz ZLOFVWIWANYFRT-UHFFFAOYSA-N 0 0 438.890 4.294 50 0 IIAARN Cc1c2nc(N3CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)sc2ccc1Cl ZINC000012342251 525995374 /nfs/dbraw/zinc/99/53/74/525995374.db2.gz JLZAPSNPTVJODB-UHFFFAOYSA-N 0 0 439.924 4.327 50 0 IIAARN CSc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033141713 526001703 /nfs/dbraw/zinc/00/17/03/526001703.db2.gz KAVYRNKKXWXUIQ-UHFFFAOYSA-N 0 0 432.592 4.225 50 0 IIAARN C[C@@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000033317954 526008865 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432.907 4.365 50 0 IIAARN COc1cccc(CSc2nc(C)c(CC(=O)Nc3ccccc3SC)c(=O)[nH]2)c1 ZINC000023138562 526067437 /nfs/dbraw/zinc/06/74/37/526067437.db2.gz QGWSDUOTTMBRER-UHFFFAOYSA-N 0 0 441.578 4.282 50 0 IIAARN Cc1cnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)s1 ZINC000015019406 526076945 /nfs/dbraw/zinc/07/69/45/526076945.db2.gz AHMJLBFPYWCRTA-UHFFFAOYSA-N 0 0 436.566 4.442 50 0 IIAARN C[C@@H](c1ccccc1)n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C ZINC000020463744 526099417 /nfs/dbraw/zinc/09/94/17/526099417.db2.gz WXTVKQIDZVKQCI-AWEZNQCLSA-N 0 0 438.325 4.078 50 0 IIAARN C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012782690 526124752 /nfs/dbraw/zinc/12/47/52/526124752.db2.gz AVHLEYICEPDDTN-CYBMUJFWSA-N 0 0 436.339 4.377 50 0 IIAARN Cc1cc(=O)c(C(=O)NCCOc2ccc3ccccc3c2)nn1-c1ccccc1Cl ZINC000013128478 526128249 /nfs/dbraw/zinc/12/82/49/526128249.db2.gz YISQCPXAEXHRRS-UHFFFAOYSA-N 0 0 433.895 4.156 50 0 IIAARN C[C@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)N1C(=O)COc2ccccc21 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HRSFYIDUUOINIP-UHFFFAOYSA-N 0 0 445.595 4.346 50 0 IIAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(c2ccccn2)CC1 ZINC000020677352 526315125 /nfs/dbraw/zinc/31/51/25/526315125.db2.gz XTPZBRCYXUAKHI-VWLOTQADSA-N 0 0 442.519 4.090 50 0 IIAARN Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cc(Cl)ccc5C)CC4)c3c2)o1 ZINC000035461913 526317134 /nfs/dbraw/zinc/31/71/34/526317134.db2.gz ZFYQAGCVMATHCL-UHFFFAOYSA-N 0 0 449.942 4.310 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CCCC[C@@H]4C)cc3)c(C)c2Br)o1 ZINC000023336738 526321410 /nfs/dbraw/zinc/32/14/10/526321410.db2.gz AWBODMOLUBMNRG-LBPRGKRZSA-N 0 0 444.333 4.316 50 0 IIAARN O=C(CCC1CCCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012010171 526408089 /nfs/dbraw/zinc/40/80/89/526408089.db2.gz IRVWLXOAEZKYPK-UHFFFAOYSA-N 0 0 435.528 4.393 50 0 IIAARN O=C(NCCc1cccc(F)c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000012894697 526418281 /nfs/dbraw/zinc/41/82/81/526418281.db2.gz MYNSGVWISRZRSR-UHFFFAOYSA-N 0 0 432.904 4.252 50 0 IIAARN Cc1nnc2sc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nn12 ZINC000020427334 526423864 /nfs/dbraw/zinc/42/38/64/526423864.db2.gz WNXFGBIVDXRFHN-UHFFFAOYSA-N 0 0 441.944 4.288 50 0 IIAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1)N1CCCC1 ZINC000012700773 526452571 /nfs/dbraw/zinc/45/25/71/526452571.db2.gz MYAUFPNCIUSVKD-UGKGYDQZSA-N 0 0 449.576 4.031 50 0 IIAARN O=C(CCCSc1nc2ccccc2s1)N1CCN(C(=O)c2cccs2)CC1 ZINC000012586259 526453603 /nfs/dbraw/zinc/45/36/03/526453603.db2.gz IKDRHRSNBNPRHJ-UHFFFAOYSA-N 0 0 431.608 4.215 50 0 IIAARN O=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000012296943 526453636 /nfs/dbraw/zinc/45/36/36/526453636.db2.gz SQVVVWVLSJGFBD-UHFFFAOYSA-N 0 0 430.552 4.227 50 0 biogenic IIAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(Br)cc1 ZINC000020604290 526455549 /nfs/dbraw/zinc/45/55/49/526455549.db2.gz AXMMPYPLBKFASP-UHFFFAOYSA-N 0 0 445.317 4.332 50 0 IIAARN O=C(NCCc1nnc2ccccn21)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012906225 526464522 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O=C1Nc2ccc(Br)cc2[C@]12Nc1ccccc1C(=O)N2c1ccc(F)cc1 ZINC000012377228 527089741 /nfs/dbraw/zinc/08/97/41/527089741.db2.gz VTBAJKKKGKGSJT-OAQYLSRUSA-N 0 0 438.256 4.466 50 0 IIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccccc2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000021658941 527091507 /nfs/dbraw/zinc/09/15/07/527091507.db2.gz YAPKGTWNPYZXKN-JOCHJYFZSA-N 0 0 434.499 4.210 50 0 IIAARN O=C(Nc1cc(-c2ccccc2)no1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012915833 527098446 /nfs/dbraw/zinc/09/84/46/527098446.db2.gz RWZWBFZQRRMNFW-QFIPXVFZSA-N 0 0 437.455 4.188 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 ZINC000001099067 527102170 /nfs/dbraw/zinc/10/21/70/527102170.db2.gz BEWMCTNLYIFOOS-QGZVFWFLSA-N 0 0 443.381 4.295 50 0 IIAARN O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(Br)cc1 ZINC000033677389 527103945 /nfs/dbraw/zinc/10/39/45/527103945.db2.gz YLXBETVDOLCOCJ-PXNMLYILSA-N 0 0 433.283 4.284 50 0 IIAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012815717 527110543 /nfs/dbraw/zinc/11/05/43/527110543.db2.gz WSEGYNVLAHQDBA-GFCCVEGCSA-N 0 0 431.316 4.172 50 0 IIAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1cccn1-c1ccccn1 ZINC000012448667 527147870 /nfs/dbraw/zinc/14/78/70/527147870.db2.gz VDXVEUVHGSMYOQ-HSZRJFAPSA-N 0 0 426.524 4.051 50 0 IIAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000012848090 527153680 /nfs/dbraw/zinc/15/36/80/527153680.db2.gz BJWWQQPYCWIHHT-LLVKDONJSA-N 0 0 429.240 4.113 50 0 IIAARN O=S(=O)(CCc1ccccc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767516 527178152 /nfs/dbraw/zinc/17/81/52/527178152.db2.gz RETOONNMLVQLNQ-HSZRJFAPSA-N 0 0 426.607 4.010 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325447 527192582 /nfs/dbraw/zinc/19/25/82/527192582.db2.gz PXSXLJIWFWJYNY-GFCCVEGCSA-N 0 0 439.921 4.016 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012806589 527196910 /nfs/dbraw/zinc/19/69/10/527196910.db2.gz VICAKYKPTKEGRS-UHFFFAOYSA-N 0 0 434.489 4.026 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/nfs/dbraw/zinc/68/36/05/555683605.db2.gz LEEQMCFHCIOUEB-UHFFFAOYSA-N 0 0 428.330 4.302 50 0 IIAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 ZINC000001219691 555685381 /nfs/dbraw/zinc/68/53/81/555685381.db2.gz WNACHVYCVGPROH-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000010215359 555691869 /nfs/dbraw/zinc/69/18/69/555691869.db2.gz BSMMWYSQSNOUDZ-HNNXBMFYSA-N 0 0 437.569 4.278 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000001409932 555694383 /nfs/dbraw/zinc/69/43/83/555694383.db2.gz PIWRUSVNWRKZFE-UHFFFAOYSA-N 0 0 432.480 4.397 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2F)cc1 ZINC000001410893 555694389 /nfs/dbraw/zinc/69/43/89/555694389.db2.gz XDOLFXCBSBOWMI-UHFFFAOYSA-N 0 0 446.931 4.299 50 0 IIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000001440886 555697705 /nfs/dbraw/zinc/69/77/05/555697705.db2.gz HQXIZVJDSDFGJE-JKSUJKDBSA-N 0 0 428.426 4.186 50 0 IIAARN COc1cc(C2N=NC(=S)N2c2ccc(C)cc2Br)cc(OC)c1OC ZINC000001442697 555698162 /nfs/dbraw/zinc/69/81/62/555698162.db2.gz QTFNESKTKVYUAF-UHFFFAOYSA-N 0 0 436.331 4.320 50 0 IIAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446588 555699305 /nfs/dbraw/zinc/69/93/05/555699305.db2.gz SHOXLNCYUCNMQA-INIZCTEOSA-N 0 0 446.787 4.416 50 0 IIAARN COc1cc(OC)nc([C@H](SCCNC(=O)c2c(F)cccc2F)c2ccccc2)n1 ZINC000001741997 555711788 /nfs/dbraw/zinc/71/17/88/555711788.db2.gz SOAGLHNIGSZYKB-HXUWFJFHSA-N 0 0 445.491 4.025 50 0 IIAARN CCOC(=O)c1c(NC(=O)CSCC(=O)Nc2ccccc2)sc2c1CCCC2 ZINC000001910721 555724156 /nfs/dbraw/zinc/72/41/56/555724156.db2.gz UTASHFGFCIHNIU-UHFFFAOYSA-N 0 0 432.567 4.114 50 0 IIAARN CC1(C)C[C@H](n2c(=O)c3c(nc2NCCO)-c2ccccc2CC32CCCCC2)CCO1 ZINC000002060654 555731644 /nfs/dbraw/zinc/73/16/44/555731644.db2.gz SPFFTBGTRCMBQM-LJQANCHMSA-N 0 0 437.584 4.203 50 0 IIAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890412 555744338 /nfs/dbraw/zinc/74/43/38/555744338.db2.gz MKOBGHQABANXBZ-GOSISDBHSA-N 0 0 445.491 4.282 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)o1)CCCC2 ZINC000002140634 555748201 /nfs/dbraw/zinc/74/82/01/555748201.db2.gz CDHCGEYODDZXBL-UHFFFAOYSA-N 0 0 433.511 4.177 50 0 IIAARN CSc1ccc(OS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)cc1 ZINC000002144388 555748809 /nfs/dbraw/zinc/74/88/09/555748809.db2.gz NEMTWGOJXARHAH-UHFFFAOYSA-N 0 0 426.562 4.071 50 0 IIAARN CC(C)COC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002151181 555749605 /nfs/dbraw/zinc/74/96/05/555749605.db2.gz SBIIPIYVHGZREK-WQTXXOFMSA-N 0 0 430.526 4.023 50 0 IIAARN CC(C)C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002152170 555749663 /nfs/dbraw/zinc/74/96/63/555749663.db2.gz YFVGPKZYTLHIOX-GOSISDBHSA-N 0 0 448.302 4.430 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2cccc(C)c2)cc1 ZINC000002178564 555753099 /nfs/dbraw/zinc/75/30/99/555753099.db2.gz OHYFFFVOJOBFFK-OAQYLSRUSA-N 0 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555771013 /nfs/dbraw/zinc/77/10/13/555771013.db2.gz SYYCRTBUJGJWMN-IBGZPJMESA-N 0 0 443.551 4.407 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)cc1 ZINC000002381793 555774392 /nfs/dbraw/zinc/77/43/92/555774392.db2.gz GHRUJDSCMDLEOC-UHFFFAOYSA-N 0 0 431.521 4.490 50 0 IIAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002399756 555775939 /nfs/dbraw/zinc/77/59/39/555775939.db2.gz RYVJLKHPCRYWRG-IBGZPJMESA-N 0 0 433.489 4.410 50 0 IIAARN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000002417297 555777414 /nfs/dbraw/zinc/77/74/14/555777414.db2.gz FHSLUJKWODUGFL-UHFFFAOYSA-N 0 0 431.521 4.254 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002453585 555782300 /nfs/dbraw/zinc/78/23/00/555782300.db2.gz OQTNVLHVVDINGV-UHFFFAOYSA-N 0 0 430.489 4.394 50 0 IIAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c(OC)c1 ZINC000002492981 555784103 /nfs/dbraw/zinc/78/41/03/555784103.db2.gz XIPOGDPRIONHQC-JOCHJYFZSA-N 0 0 435.549 4.178 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002602334 555789770 /nfs/dbraw/zinc/78/97/70/555789770.db2.gz TWPZRHAMWHCBCC-UHFFFAOYSA-N 0 0 442.449 4.072 50 0 IIAARN Cc1cccc([C@@H]2CC[C@@H](C(=O)NCCc3ccccn3)CN2C(=O)c2ccccc2)c1 ZINC000034671246 555793152 /nfs/dbraw/zinc/79/31/52/555793152.db2.gz XEWCXNLSDBKUDR-NOZRDPDXSA-N 0 0 427.548 4.342 50 0 IIAARN O=C1c2ccccc2C(=O)N1CCCSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000002674846 555797746 /nfs/dbraw/zinc/79/77/46/555797746.db2.gz TUXHCTJLBSLIAF-UHFFFAOYSA-N 0 0 441.516 4.108 50 0 IIAARN O=C(Nc1cccc(Cl)c1)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679129 555798464 /nfs/dbraw/zinc/79/84/64/555798464.db2.gz MJBUVUCJSSHGGR-UHFFFAOYSA-N 0 0 440.979 4.311 50 0 IIAARN CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccccc1OC ZINC000002717679 555801759 /nfs/dbraw/zinc/80/17/59/555801759.db2.gz SUWIGIKZDXEHTO-LJQANCHMSA-N 0 0 444.597 4.365 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1c(Cl)c(C)nn1C ZINC000002735436 555805953 /nfs/dbraw/zinc/80/59/53/555805953.db2.gz CSJOUHJFCZGPKL-UHFFFAOYSA-N 0 0 443.335 4.184 50 0 IIAARN CC(C)Cn1c(=O)c2c(ncn2CCOc2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034695018 555810019 /nfs/dbraw/zinc/81/00/19/555810019.db2.gz NZBHLKSLATXGDB-UHFFFAOYSA-N 0 0 446.551 4.207 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)c1ccco1 ZINC000002757824 555811519 /nfs/dbraw/zinc/81/15/19/555811519.db2.gz NDGBMHJOYFIFHF-UHFFFAOYSA-N 0 0 428.466 4.339 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cccnc1 ZINC000002760973 555812577 /nfs/dbraw/zinc/81/25/77/555812577.db2.gz PBTCOWLCUGHUAY-UHFFFAOYSA-N 0 0 429.885 4.396 50 0 IIAARN CCCc1nnc(NC(=O)[C@@H](CC)Sc2nnc3c4ccccc4n(CC)c3n2)s1 ZINC000002775799 555817778 /nfs/dbraw/zinc/81/77/78/555817778.db2.gz REEQPMRPRNTGGP-CQSZACIVSA-N 0 0 441.586 4.313 50 0 IIAARN CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002776355 555818067 /nfs/dbraw/zinc/81/80/67/555818067.db2.gz RWYPVKVSHDROGP-CYBMUJFWSA-N 0 0 427.559 4.001 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000034685347 555821107 /nfs/dbraw/zinc/82/11/07/555821107.db2.gz NWJXNDMKXHUTMU-UHFFFAOYSA-N 0 0 444.963 4.188 50 0 IIAARN O=C(NCc1ccccc1F)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)NCc2ccccc2)C1 ZINC000034710848 555824135 /nfs/dbraw/zinc/82/41/35/555824135.db2.gz RAHHEQDEJRAHRR-RPWUZVMVSA-N 0 0 445.538 4.457 50 0 IIAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1 ZINC000002805654 555826440 /nfs/dbraw/zinc/82/64/40/555826440.db2.gz BIBDTWWJDQXXRI-UHFFFAOYSA-N 0 0 439.483 4.328 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)C[C@@H](C(C)C)OC4)cc1 ZINC000002813240 555827920 /nfs/dbraw/zinc/82/79/20/555827920.db2.gz GMXYBDMQXLCOKL-HNNXBMFYSA-N 0 0 428.583 4.410 50 0 IIAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000002846319 555837715 /nfs/dbraw/zinc/83/77/15/555837715.db2.gz INVHFJOAFWPUCT-UHFFFAOYSA-N 0 0 432.611 4.373 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002858276 555842957 /nfs/dbraw/zinc/84/29/57/555842957.db2.gz ACNOQLSMTRMDBH-UHFFFAOYSA-N 0 0 442.793 4.042 50 0 IIAARN COC(=O)c1ccccc1NC(=O)Nc1cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c1 ZINC000002859095 555843490 /nfs/dbraw/zinc/84/34/90/555843490.db2.gz ZMDJFSOIIBBUHC-UHFFFAOYSA-N 0 0 442.468 4.248 50 0 IIAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C ZINC000002859612 555843888 /nfs/dbraw/zinc/84/38/88/555843888.db2.gz GQPWJDHNNKPVHI-QGZVFWFLSA-N 0 0 440.569 4.071 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc([C@@H](O)c3ccccc3)n2-c2ccccc2)c1 ZINC000002863035 555845822 /nfs/dbraw/zinc/84/58/22/555845822.db2.gz WSHORYYQENATON-QFIPXVFZSA-N 0 0 446.532 4.088 50 0 IIAARN Cc1ccc(NC(=O)Cn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1C ZINC000002872359 555850486 /nfs/dbraw/zinc/85/04/86/555850486.db2.gz RYRWRESZHHRUFB-UHFFFAOYSA-N 0 0 431.471 4.314 50 0 IIAARN CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1 ZINC000002878095 555853214 /nfs/dbraw/zinc/85/32/14/555853214.db2.gz BGTVUXSTXJOOCR-UHFFFAOYSA-N 0 0 429.527 4.386 50 0 IIAARN COc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc54)n3C)n2)cc1OC ZINC000002881253 555855208 /nfs/dbraw/zinc/85/52/08/555855208.db2.gz MNXKSASFWAQRFD-UHFFFAOYSA-N 0 0 448.508 4.323 50 0 IIAARN Cc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002880940 555855294 /nfs/dbraw/zinc/85/52/94/555855294.db2.gz KATCSTWOGGIHOL-UHFFFAOYSA-N 0 0 428.941 4.404 50 0 IIAARN COc1c(F)c(F)c(C(=O)Nc2ccccc2I)c(F)c1F ZINC000002891234 555860002 /nfs/dbraw/zinc/86/00/02/555860002.db2.gz SXXCFWYUCXSBOT-UHFFFAOYSA-N 0 0 425.119 4.109 50 0 IIAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002957741 555867047 /nfs/dbraw/zinc/86/70/47/555867047.db2.gz MLTSXKIWVQNYDR-RGEXLXHISA-N 0 0 439.876 4.452 50 0 IIAARN CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000002967502 555868626 /nfs/dbraw/zinc/86/86/26/555868626.db2.gz WUUMRXLAYWDUKN-MSRUFZRRSA-N 0 0 437.495 4.434 50 0 IIAARN Cc1cccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000002990038 555874898 /nfs/dbraw/zinc/87/48/98/555874898.db2.gz KQTGCSDMFSUZRQ-UHFFFAOYSA-N 0 0 442.968 4.203 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1 ZINC000003004400 555878169 /nfs/dbraw/zinc/87/81/69/555878169.db2.gz LARASQYZTMCTHB-UHFFFAOYSA-N 0 0 426.582 4.193 50 0 IIAARN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000003072834 555884535 /nfs/dbraw/zinc/88/45/35/555884535.db2.gz NBUBCEPCZVIQCH-LLVKDONJSA-N 0 0 438.119 4.203 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1ccc(OC)cc1)C(F)(F)F ZINC000003103400 555887324 /nfs/dbraw/zinc/88/73/24/555887324.db2.gz LQTHTBHKZXSOJU-SFHVURJKSA-N 0 0 430.810 4.012 50 0 IIAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003123275 555889344 /nfs/dbraw/zinc/88/93/44/555889344.db2.gz HNLBXGDFCITBLY-HNNXBMFYSA-N 0 0 432.760 4.108 50 0 IIAARN O=C(c1cnn2c1nccc2-c1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000034786141 555896630 /nfs/dbraw/zinc/89/66/30/555896630.db2.gz GZJUNQBRTCNMSH-UHFFFAOYSA-N 0 0 431.927 4.008 50 0 IIAARN Cc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)Cc2ccc(F)cc2)CC3)cc1 ZINC000034757899 555902624 /nfs/dbraw/zinc/90/26/24/555902624.db2.gz FXJYYHNVFFKKHL-UHFFFAOYSA-N 0 0 446.526 4.444 50 0 IIAARN CC(C)(C)c1ccc(CN2C(=O)CSc3nnc(COc4ccccc4F)n32)cc1 ZINC000034810035 555908217 /nfs/dbraw/zinc/90/82/17/555908217.db2.gz MSZIGSZENAISJH-UHFFFAOYSA-N 0 0 426.517 4.064 50 0 IIAARN C[C@H](NC(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1 ZINC000034811572 555909431 /nfs/dbraw/zinc/90/94/31/555909431.db2.gz QFLGFVFBXLZHIM-AWEZNQCLSA-N 0 0 443.334 4.337 50 0 IIAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccccc3Oc3c(OC)cccc32)CC1 ZINC000034813471 555910424 /nfs/dbraw/zinc/91/04/24/555910424.db2.gz JSGGFKAIURGGIV-UHFFFAOYSA-N 0 0 443.503 4.346 50 0 IIAARN O=C(Cc1ccccc1)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034905062 555919514 /nfs/dbraw/zinc/91/95/14/555919514.db2.gz GXFUTGFJHXRKIT-SFTDATJTSA-N 0 0 449.576 4.122 50 0 IIAARN NC(=O)[C@H]1CCCN(C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)C1 ZINC000034922159 555932676 /nfs/dbraw/zinc/93/26/76/555932676.db2.gz VILPSGIINROYIM-IBGZPJMESA-N 0 0 445.494 4.426 50 0 IIAARN CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003464821 555935994 /nfs/dbraw/zinc/93/59/94/555935994.db2.gz OHNQTPHMMAIRDG-OAHLLOKOSA-N 0 0 443.396 4.142 50 0 IIAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003670149 555945453 /nfs/dbraw/zinc/94/54/53/555945453.db2.gz SICHLLNBKDVIGB-GJZUVCINSA-N 0 0 443.503 4.086 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1C ZINC000003883015 555950869 /nfs/dbraw/zinc/95/08/69/555950869.db2.gz RACCIIXNWLJABQ-INIZCTEOSA-N 0 0 432.546 4.489 50 0 IIAARN CCOC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CCCC2 ZINC000003961487 555951906 /nfs/dbraw/zinc/95/19/06/555951906.db2.gz AZZMWZKYDHIOKC-UHFFFAOYSA-N 0 0 441.505 4.236 50 0 biogenic IIAARN O=C(c1ccc(I)cc1)c1ccc(I)cc1 ZINC000004900464 556018965 /nfs/dbraw/zinc/01/89/65/556018965.db2.gz HFRHPJJBHNBGBD-UHFFFAOYSA-N 0 0 434.014 4.127 50 0 IIAARN Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000010573830 556091021 /nfs/dbraw/zinc/09/10/21/556091021.db2.gz NFKPVGRLGWFLAK-UHFFFAOYSA-N 0 0 436.356 4.311 50 0 IIAARN CCCC[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000006481429 556091037 /nfs/dbraw/zinc/09/10/37/556091037.db2.gz ZAUZAQDAHGLIAO-JNVBVNAASA-N 0 0 431.532 4.389 50 0 IIAARN CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1OC ZINC000006778572 556103649 /nfs/dbraw/zinc/10/36/49/556103649.db2.gz ZIAXDJGFGIVCGC-NRFANRHFSA-N 0 0 425.554 4.306 50 0 IIAARN CCCC(=O)N[C@@H](Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(Cl)(Cl)Cl ZINC000002667184 556119900 /nfs/dbraw/zinc/11/99/00/556119900.db2.gz JQRQCZGTNQJQTE-HNNXBMFYSA-N 0 0 443.780 4.460 50 0 IIAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000002712930 556122410 /nfs/dbraw/zinc/12/24/10/556122410.db2.gz UNMNKSAENNIYJS-UHFFFAOYSA-N 0 0 425.456 4.469 50 0 IIAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002704453 556123862 /nfs/dbraw/zinc/12/38/62/556123862.db2.gz SUQDCRCUKMFRQO-LJQANCHMSA-N 0 0 433.489 4.492 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc2c1CC[C@@H](CC)C2 ZINC000002708408 556124441 /nfs/dbraw/zinc/12/44/41/556124441.db2.gz ARFAENYHECGRSJ-CXAGYDPISA-N 0 0 427.522 4.160 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720656 556127065 /nfs/dbraw/zinc/12/70/65/556127065.db2.gz CJGWJPKRFQDAEX-UHFFFAOYSA-N 0 0 432.549 4.280 50 0 IIAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002720608 556127067 /nfs/dbraw/zinc/12/70/67/556127067.db2.gz GIHSNPZAAHIPQJ-UHFFFAOYSA-N 0 0 433.320 4.452 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1 ZINC000002719677 556131969 /nfs/dbraw/zinc/13/19/69/556131969.db2.gz PJPALZRVAGSBAL-UHFFFAOYSA-N 0 0 439.562 4.010 50 0 IIAARN CC[C@@H](C)OC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000002731554 556134547 /nfs/dbraw/zinc/13/45/47/556134547.db2.gz UGQFONIARHCWGQ-OAHLLOKOSA-N 0 0 449.594 4.385 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc(Br)cc1F ZINC000002732787 556134899 /nfs/dbraw/zinc/13/48/99/556134899.db2.gz HAJQPLCXTMEXOI-UHFFFAOYSA-N 0 0 448.317 4.364 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2C)sc(NC(=O)c2cnccn2)c1C(=O)OC(C)C ZINC000002763509 556136052 /nfs/dbraw/zinc/13/60/52/556136052.db2.gz VVRIWHQMCBUGEY-UHFFFAOYSA-N 0 0 438.509 4.225 50 0 IIAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002776425 556140412 /nfs/dbraw/zinc/14/04/12/556140412.db2.gz ALKLHVWKNFWGBJ-AWEZNQCLSA-N 0 0 441.586 4.484 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002778452 556140998 /nfs/dbraw/zinc/14/09/98/556140998.db2.gz RBVIFJVVVQTGDC-UHFFFAOYSA-N 0 0 430.342 4.032 50 0 IIAARN CCn1ncc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1C ZINC000002802175 556142445 /nfs/dbraw/zinc/14/24/45/556142445.db2.gz URLRKXJMOGXJFC-UHFFFAOYSA-N 0 0 438.713 4.113 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1 ZINC000002804523 556143112 /nfs/dbraw/zinc/14/31/12/556143112.db2.gz KSMGSEGVVOZJQB-QGZVFWFLSA-N 0 0 440.425 4.477 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1 ZINC000002795016 556145253 /nfs/dbraw/zinc/14/52/53/556145253.db2.gz DMMIFRGNTBPVBK-UHFFFAOYSA-N 0 0 434.473 4.155 50 0 IIAARN Cc1ccc(Cn2cc(Br)c(NC(=O)c3cc(C(F)(F)F)n(C)n3)n2)cc1 ZINC000002796258 556145542 /nfs/dbraw/zinc/14/55/42/556145542.db2.gz PYMWTUWMEOKRGA-UHFFFAOYSA-N 0 0 442.239 4.007 50 0 IIAARN COc1cc(Cl)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1OC ZINC000010592580 556150447 /nfs/dbraw/zinc/15/04/47/556150447.db2.gz YYMCJMOWYDAWMV-UHFFFAOYSA-N 0 0 447.944 4.036 50 0 IIAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010600443 556151302 /nfs/dbraw/zinc/15/13/02/556151302.db2.gz JYEUXWVEIMZNJM-UHFFFAOYSA-N 0 0 428.558 4.087 50 0 IIAARN CCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000002989885 556155751 /nfs/dbraw/zinc/15/57/51/556155751.db2.gz HBQBHQNIVBCQES-UHFFFAOYSA-N 0 0 449.297 4.245 50 0 IIAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c2ccccc21 ZINC000003007579 556156762 /nfs/dbraw/zinc/15/67/62/556156762.db2.gz YVVRRZFSPGEKAP-ZWKOTPCHSA-N 0 0 425.573 4.023 50 0 IIAARN COc1cc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc(OC)c1OC ZINC000003008143 556157024 /nfs/dbraw/zinc/15/70/24/556157024.db2.gz XJZXNLLUCVHPHS-UHFFFAOYSA-N 0 0 429.473 4.036 50 0 IIAARN O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417877 556167661 /nfs/dbraw/zinc/16/76/61/556167661.db2.gz AIJLNCVELMDHTM-YJADQXIJSA-N 0 0 442.565 4.086 50 0 IIAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1cccs1 ZINC000008435622 556173373 /nfs/dbraw/zinc/17/33/73/556173373.db2.gz AVLSOMTURYJQGL-UHFFFAOYSA-N 0 0 430.507 4.418 50 0 IIAARN Cc1nc(C(F)(F)F)ccc1-c1nnc(SCCCN2C(=O)c3ccccc3C2=O)o1 ZINC000008616667 556192669 /nfs/dbraw/zinc/19/26/69/556192669.db2.gz AZCCNYRCFGTZNL-UHFFFAOYSA-N 0 0 448.426 4.237 50 0 IIAARN CCN(CC)C(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1OC ZINC000008666472 556197851 /nfs/dbraw/zinc/19/78/51/556197851.db2.gz VPLXSFQWQCUTHV-NBVRZTHBSA-N 0 0 431.330 4.097 50 0 IIAARN CCOC(=O)c1cnc(SC)nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717002 556202450 /nfs/dbraw/zinc/20/24/50/556202450.db2.gz NPZOJLQQGNTTLO-UHFFFAOYSA-N 0 0 431.461 4.125 50 0 IIAARN CC(C)COC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000008739648 556205896 /nfs/dbraw/zinc/20/58/96/556205896.db2.gz UDOIBHTYTIXKFA-NHDPSOOVSA-N 0 0 439.508 4.420 50 0 IIAARN CCCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl ZINC000008768771 556212955 /nfs/dbraw/zinc/21/29/55/556212955.db2.gz IYUHVEISVSYNPZ-OAHLLOKOSA-N 0 0 435.735 4.407 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816064 556217378 /nfs/dbraw/zinc/21/73/78/556217378.db2.gz OMAFNZSKZHWVNV-MRXNPFEDSA-N 0 0 447.466 4.078 50 0 IIAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000008892239 556230606 /nfs/dbraw/zinc/23/06/06/556230606.db2.gz SOAVQXHGWHDQAZ-LJQANCHMSA-N 0 0 442.441 4.093 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1cccnc1 ZINC000008883093 556230626 /nfs/dbraw/zinc/23/06/26/556230626.db2.gz SFUZJSQALMMIII-ZDUSSCGKSA-N 0 0 443.602 4.379 50 0 IIAARN O=C1N[C@H](c2ccccc2Cl)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915410 556232573 /nfs/dbraw/zinc/23/25/73/556232573.db2.gz RWECVCFVBJZYFD-VBQJREDUSA-N 0 0 433.213 4.097 50 0 IIAARN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 ZINC000008922174 556233748 /nfs/dbraw/zinc/23/37/48/556233748.db2.gz CUGJXRZUCYZHMR-UHFFFAOYSA-N 0 0 449.459 4.260 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)OCO2 ZINC000008922052 556233840 /nfs/dbraw/zinc/23/38/40/556233840.db2.gz CBGFVMHPZZGWMO-XMMPIXPASA-N 0 0 435.863 4.076 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1OC ZINC000009170976 556249866 /nfs/dbraw/zinc/24/98/66/556249866.db2.gz PPCMFTQPKYQPFE-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009197509 556255689 /nfs/dbraw/zinc/25/56/89/556255689.db2.gz QMOXSPXGUFPXKJ-MOPGFXCFSA-N 0 0 443.960 4.290 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000009238578 556264690 /nfs/dbraw/zinc/26/46/90/556264690.db2.gz PXPLTAIQBHIACA-RTBURBONSA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000009238904 556265010 /nfs/dbraw/zinc/26/50/10/556265010.db2.gz YWKJOPUEDILCJW-ROUUACIJSA-N 0 0 429.933 4.036 50 0 IIAARN CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000009243118 556266670 /nfs/dbraw/zinc/26/66/70/556266670.db2.gz OYVJHGHEYHSIPF-JOCHJYFZSA-N 0 0 441.915 4.070 50 0 IIAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000009262834 556269828 /nfs/dbraw/zinc/26/98/28/556269828.db2.gz PJYPGOLSBJNQPR-CNOAHFENSA-N 0 0 436.283 4.307 50 0 IIAARN Cc1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)s1 ZINC000013683394 556274641 /nfs/dbraw/zinc/27/46/41/556274641.db2.gz FWBVPGMODLBLSJ-UHFFFAOYSA-N 0 0 440.323 4.083 50 0 IIAARN CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)N(C)C1=S ZINC000009296060 556275303 /nfs/dbraw/zinc/27/53/03/556275303.db2.gz WVPNZVWACKNLSJ-YBEGLDIGSA-N 0 0 435.318 4.197 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(OC(F)(F)F)cc1 ZINC000013692600 556282380 /nfs/dbraw/zinc/28/23/80/556282380.db2.gz FGEOVODKRWYHMP-UHFFFAOYSA-N 0 0 447.413 4.039 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1cccc(F)c1 ZINC000013718509 556288336 /nfs/dbraw/zinc/28/83/36/556288336.db2.gz NYICGAZKLHZMCV-UHFFFAOYSA-N 0 0 448.491 4.115 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(=O)CC1)occ3-c1ccc(F)cc1 ZINC000009418959 556289207 /nfs/dbraw/zinc/28/92/07/556289207.db2.gz DULPAWHMSOZKMG-UHFFFAOYSA-N 0 0 433.435 4.388 50 0 IIAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000009425852 556289886 /nfs/dbraw/zinc/28/98/86/556289886.db2.gz HKCBATGJTRCHBS-CLOGCQCWSA-N 0 0 437.495 4.218 50 0 IIAARN O=C(NCCOc1ccccc1Cc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000009427111 556290563 /nfs/dbraw/zinc/29/05/63/556290563.db2.gz ODBUTVCVJADZNQ-XMMPIXPASA-N 0 0 443.547 4.469 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2Cc2ccco2)c1 ZINC000009496697 556295034 /nfs/dbraw/zinc/29/50/34/556295034.db2.gz DPEGVNSFKIOBNS-UHFFFAOYSA-N 0 0 438.484 4.465 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000013731238 556295748 /nfs/dbraw/zinc/29/57/48/556295748.db2.gz XFSXHLZVJFHOAX-UHFFFAOYSA-N 0 0 448.491 4.115 50 0 IIAARN COc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000009526537 556297040 /nfs/dbraw/zinc/29/70/40/556297040.db2.gz XUYOMSMTKKCQMI-UHFFFAOYSA-N 0 0 444.582 4.079 50 0 IIAARN CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000009559803 556298232 /nfs/dbraw/zinc/29/82/32/556298232.db2.gz BYQAGEBWHKEPPU-AWEZNQCLSA-N 0 0 447.553 4.172 50 0 IIAARN CCOc1ccc2nc(N3C[C@H](C(=O)OCc4ccccc4Cl)CC3=O)sc2c1 ZINC000009591731 556301432 /nfs/dbraw/zinc/30/14/32/556301432.db2.gz WGSLNUCODZSELU-CQSZACIVSA-N 0 0 430.913 4.445 50 0 IIAARN O=C(CCN1C(=O)CSc2ccccc21)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000032740624 556301718 /nfs/dbraw/zinc/30/17/18/556301718.db2.gz UFUKKNFQYOTBNM-UHFFFAOYSA-N 0 0 435.476 4.491 50 0 IIAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000032741473 556303030 /nfs/dbraw/zinc/30/30/30/556303030.db2.gz JMJCPGMGMGYKSH-UHFFFAOYSA-N 0 0 449.514 4.120 50 0 IIAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000009661443 556304650 /nfs/dbraw/zinc/30/46/50/556304650.db2.gz WUIWZVGLIZVVIM-UHFFFAOYSA-N 0 0 437.297 4.174 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000009668736 556305267 /nfs/dbraw/zinc/30/52/67/556305267.db2.gz AJWXIMLRAQCJMO-XNTDXEJSSA-N 0 0 429.495 4.440 50 0 IIAARN CCc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2cccc(OC)c2)cc1 ZINC000009830392 556310737 /nfs/dbraw/zinc/31/07/37/556310737.db2.gz GIURYWOXPCSEII-UHFFFAOYSA-N 0 0 446.532 4.083 50 0 IIAARN CCc1cc2c(ncn(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)c2=O)s1 ZINC000032747076 556315690 /nfs/dbraw/zinc/31/56/90/556315690.db2.gz YWZRPKMLHKCCLF-MRXNPFEDSA-N 0 0 438.534 4.053 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccs2)cc1 ZINC000009933948 556317242 /nfs/dbraw/zinc/31/72/42/556317242.db2.gz IFEPTNCAVDGMMS-OAQYLSRUSA-N 0 0 449.532 4.431 50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000009933950 556317313 /nfs/dbraw/zinc/31/73/13/556317313.db2.gz SQWOBZJJOCVUQP-OAQYLSRUSA-N 0 0 449.532 4.431 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 ZINC000013838848 556317307 /nfs/dbraw/zinc/31/73/07/556317307.db2.gz VMSDKCQMEQFKCP-UHFFFAOYSA-N 0 0 430.913 4.079 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)nc1C ZINC000013839405 556317452 /nfs/dbraw/zinc/31/74/52/556317452.db2.gz JGNQCIYRWUFMSS-UHFFFAOYSA-N 0 0 428.539 4.124 50 0 IIAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000013843153 556318209 /nfs/dbraw/zinc/31/82/09/556318209.db2.gz CHLMOMWZBYUKOB-SLFFLAALSA-N 0 0 440.931 4.012 50 0 IIAARN COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000013846298 556318754 /nfs/dbraw/zinc/31/87/54/556318754.db2.gz CXLCEZCXDKPFAO-JOCHJYFZSA-N 0 0 435.451 4.314 50 0 IIAARN CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1cccnc1OC ZINC000032760636 556320706 /nfs/dbraw/zinc/32/07/06/556320706.db2.gz PAZHNYRCUFUYHZ-UHFFFAOYSA-N 0 0 442.493 4.265 50 0 IIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O)c1cccs1 ZINC000013856607 556321151 /nfs/dbraw/zinc/32/11/51/556321151.db2.gz MKGPXTINHJYLNN-UHFFFAOYSA-N 0 0 425.849 4.242 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nc3c(C)cccc3c(=O)[nH]1)CC2 ZINC000032753419 556322468 /nfs/dbraw/zinc/32/24/68/556322468.db2.gz IBBKYZLZIUBOKO-AREMUKBSSA-N 0 0 441.531 4.396 50 0 IIAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCSc1nc2ccccc2s1 ZINC000032754226 556323433 /nfs/dbraw/zinc/32/34/33/556323433.db2.gz UAPHHNCCQIBIJQ-CQSZACIVSA-N 0 0 434.608 4.402 50 0 IIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000010059725 556324353 /nfs/dbraw/zinc/32/43/53/556324353.db2.gz GINDSEWKKZJMPB-UHFFFAOYSA-N 0 0 445.566 4.327 50 0 IIAARN COc1cc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c(OC)cc1Cl ZINC000013880280 556325693 /nfs/dbraw/zinc/32/56/93/556325693.db2.gz HMPDLNVKYPOICI-RMKNXTFCSA-N 0 0 431.989 4.385 50 0 IIAARN CCn1c(SCCn2c3ccccc3oc2=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000032777089 556327463 /nfs/dbraw/zinc/32/74/63/556327463.db2.gz MYPMBHNBWRRPPQ-CYBMUJFWSA-N 0 0 441.578 4.303 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2-c2ccccc2)cc1 ZINC000010177810 556327482 /nfs/dbraw/zinc/32/74/82/556327482.db2.gz RVHFJHIMUNRIJM-UHFFFAOYSA-N 0 0 443.532 4.072 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000013896174 556329330 /nfs/dbraw/zinc/32/93/30/556329330.db2.gz MWHLBJPRDOHONZ-UHFFFAOYSA-N 0 0 444.940 4.122 50 0 IIAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2sc(-c3ccsc3)nc2C)cc(OC)c1 ZINC000032777450 556329899 /nfs/dbraw/zinc/32/98/99/556329899.db2.gz HSTWGGJSLDWEPE-LBPRGKRZSA-N 0 0 432.523 4.381 50 0 IIAARN CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000032777981 556331239 /nfs/dbraw/zinc/33/12/39/556331239.db2.gz QSBZOUOKRMQYJJ-UHFFFAOYSA-N 0 0 437.462 4.319 50 0 IIAARN O=C(Cn1ncc2ccccc2c1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000032764385 556331622 /nfs/dbraw/zinc/33/16/22/556331622.db2.gz IPNPUBRREYKELI-UHFFFAOYSA-N 0 0 428.473 4.437 50 0 IIAARN O=C(CSc1nc2ccccc2o1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032769012 556333909 /nfs/dbraw/zinc/33/39/09/556333909.db2.gz BKJWEONSJMVPSG-UHFFFAOYSA-N 0 0 436.459 4.073 50 0 IIAARN Fc1ccc(-c2nnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)cc1 ZINC000004482513 556334506 /nfs/dbraw/zinc/33/45/06/556334506.db2.gz YKCHHTNGZNGZGJ-UHFFFAOYSA-N 0 0 442.494 4.487 50 0 IIAARN C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013459304 556341080 /nfs/dbraw/zinc/34/10/80/556341080.db2.gz LBKPHBYDOWPFMZ-HBHSZDAZSA-N 0 0 426.465 4.393 50 0 biogenic IIAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1cccc(Br)c1 ZINC000013944289 556341292 /nfs/dbraw/zinc/34/12/92/556341292.db2.gz HRLWSSLCSMZNRA-CYBMUJFWSA-N 0 0 443.326 4.073 50 0 IIAARN O=C(CCc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000013944349 556341303 /nfs/dbraw/zinc/34/13/03/556341303.db2.gz ATIPOEZNHBDPBQ-OAHLLOKOSA-N 0 0 426.929 4.283 50 0 IIAARN COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)CC3=O)c2c1 ZINC000013944682 556341963 /nfs/dbraw/zinc/34/19/63/556341963.db2.gz MPFKVTMUPPAFTG-INIZCTEOSA-N 0 0 425.916 4.168 50 0 IIAARN COc1cccc(CNC(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)c1OC ZINC000011714581 556348002 /nfs/dbraw/zinc/34/80/02/556348002.db2.gz FBCVPQGAOOIBSK-UHFFFAOYSA-N 0 0 430.888 4.471 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c12 ZINC000013960989 556348634 /nfs/dbraw/zinc/34/86/34/556348634.db2.gz KHDFVTGGKSQZMZ-UHFFFAOYSA-N 0 0 443.526 4.134 50 0 IIAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H](C(F)(F)F)n2nccc21 ZINC000013960959 556348670 /nfs/dbraw/zinc/34/86/70/556348670.db2.gz GFBQCJCCHIZTEJ-HNNXBMFYSA-N 0 0 430.434 4.074 50 0 IIAARN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770235 556350179 /nfs/dbraw/zinc/35/01/79/556350179.db2.gz VHBUXPQPWPHODX-JOCHJYFZSA-N 0 0 432.568 4.330 50 0 IIAARN Cc1c(C(=O)N(C)Cc2nccs2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000011782864 556351433 /nfs/dbraw/zinc/35/14/33/556351433.db2.gz XMOZOYVCQLFDQJ-QLFBSQMISA-N 0 0 425.583 4.353 50 0 IIAARN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000014008702 556353773 /nfs/dbraw/zinc/35/37/73/556353773.db2.gz IIRDSXLZJSAAAB-MHWRWJLKSA-N 0 0 448.294 4.242 50 0 IIAARN COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1C ZINC000011789345 556355020 /nfs/dbraw/zinc/35/50/20/556355020.db2.gz CMHSKNYVINJPTK-QGZVFWFLSA-N 0 0 444.535 4.084 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](CC)Oc1ccccc1 ZINC000014025151 556357549 /nfs/dbraw/zinc/35/75/49/556357549.db2.gz PLJFQVALQHPKRA-ZEQRLZLVSA-N 0 0 440.584 4.494 50 0 IIAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 ZINC000011815079 556358327 /nfs/dbraw/zinc/35/83/27/556358327.db2.gz LYXVXSJGYBMGFG-UHFFFAOYSA-N 0 0 440.540 4.089 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n(-c2ccc(C)cc2)n1 ZINC000014066553 556359252 /nfs/dbraw/zinc/35/92/52/556359252.db2.gz KUVCDVPGXYZDGY-OAQYLSRUSA-N 0 0 432.524 4.036 50 0 IIAARN CC(=O)Nc1ccc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014066603 556359293 /nfs/dbraw/zinc/35/92/93/556359293.db2.gz BITRRJMKZOJGNU-HXUWFJFHSA-N 0 0 426.538 4.262 50 0 IIAARN CCCOc1c(Br)cc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1OC ZINC000014069527 556360396 /nfs/dbraw/zinc/36/03/96/556360396.db2.gz AAGFSQPYRNRQCM-UHFFFAOYSA-N 0 0 447.329 4.391 50 0 IIAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2nccn2-c2cccc(C)c2)CC1 ZINC000011819612 556361558 /nfs/dbraw/zinc/36/15/58/556361558.db2.gz FIEHDHMPSWTMQY-JOCHJYFZSA-N 0 0 425.573 4.285 50 0 IIAARN CCN1C(=O)C[C@@](CC(=O)N(C)Cc2cccc3ccccc32)(c2ccccc2C)C1=O ZINC000011841328 556365211 /nfs/dbraw/zinc/36/52/11/556365211.db2.gz XCOPLDHRWPCDBG-MHZLTWQESA-N 0 0 428.532 4.214 50 0 IIAARN COc1ccccc1[C@@H]1CN(CCNC(=O)c2ccc(C(C)=O)cc2)Cc2ccccc2O1 ZINC000011841760 556365569 /nfs/dbraw/zinc/36/55/69/556365569.db2.gz RNIDQRKPBJTOLW-SANMLTNESA-N 0 0 444.531 4.264 50 0 IIAARN O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(I)cc1 ZINC000014095191 556366907 /nfs/dbraw/zinc/36/69/07/556366907.db2.gz XIWBCDPXMMPDGI-UHFFFAOYSA-N 0 0 428.176 4.393 50 0 IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000014109950 556369026 /nfs/dbraw/zinc/36/90/26/556369026.db2.gz TYZSUMGANXELKW-FPOVZHCZSA-N 0 0 437.521 4.283 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014110052 556369546 /nfs/dbraw/zinc/36/95/46/556369546.db2.gz FMTZWFKWYAFNIY-FQEVSTJZSA-N 0 0 431.540 4.049 50 0 IIAARN Cc1nc2ccc(C(=O)N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2nc1C ZINC000032809070 556370161 /nfs/dbraw/zinc/37/01/61/556370161.db2.gz WSOUGQUOKJPDCX-UHFFFAOYSA-N 0 0 444.457 4.103 50 0 IIAARN Cc1noc(C)c1CC(=O)N(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cccnc1 ZINC000011880624 556372508 /nfs/dbraw/zinc/37/25/08/556372508.db2.gz UYTNGDAQNLKYJA-QHCPKHFHSA-N 0 0 435.524 4.016 50 0 IIAARN COc1ccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1Br ZINC000014125960 556373472 /nfs/dbraw/zinc/37/34/72/556373472.db2.gz CEOIKJFLTAZHSE-UHFFFAOYSA-N 0 0 427.298 4.322 50 0 IIAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000011908817 556374363 /nfs/dbraw/zinc/37/43/63/556374363.db2.gz DAEVMQFAAROEEE-MRXNPFEDSA-N 0 0 430.961 4.217 50 0 IIAARN C[C@@H]1CCN(C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c2ccccc2S1 ZINC000014138702 556375883 /nfs/dbraw/zinc/37/58/83/556375883.db2.gz HVWLKCIWBLFTTP-QGZVFWFLSA-N 0 0 444.000 4.015 50 0 IIAARN COc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)cc1 ZINC000011913127 556375988 /nfs/dbraw/zinc/37/59/88/556375988.db2.gz ZLUVBQRZSBYBJE-OAQYLSRUSA-N 0 0 432.520 4.348 50 0 IIAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000014141552 556376791 /nfs/dbraw/zinc/37/67/91/556376791.db2.gz CDNDXSXRUVAAOD-HNNXBMFYSA-N 0 0 441.915 4.365 50 0 IIAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000014142124 556377207 /nfs/dbraw/zinc/37/72/07/556377207.db2.gz ILLFFSGOCYAYSY-UHFFFAOYSA-N 0 0 425.533 4.459 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000014142339 556377285 /nfs/dbraw/zinc/37/72/85/556377285.db2.gz MKZXYVHDCFGPMC-HXUWFJFHSA-N 0 0 425.414 4.218 50 0 IIAARN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000011935175 556377949 /nfs/dbraw/zinc/37/79/49/556377949.db2.gz HZKMOEMJDXRXKP-HXUWFJFHSA-N 0 0 438.894 4.363 50 0 IIAARN Cn1c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000014160130 556378217 /nfs/dbraw/zinc/37/82/17/556378217.db2.gz UWQDVLOTJZWYRH-UHFFFAOYSA-N 0 0 443.576 4.308 50 0 IIAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC(=O)Nc1ccccc1Br ZINC000014165521 556379467 /nfs/dbraw/zinc/37/94/67/556379467.db2.gz DYYJIYCIYJQMBV-UHFFFAOYSA-N 0 0 443.341 4.046 50 0 IIAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2s1 ZINC000014167430 556380104 /nfs/dbraw/zinc/38/01/04/556380104.db2.gz LRKHBBZGANWSPH-UHFFFAOYSA-N 0 0 429.567 4.278 50 0 IIAARN Cc1ccc(-c2nc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cs2)cc1 ZINC000014170540 556381261 /nfs/dbraw/zinc/38/12/61/556381261.db2.gz AXPWDNUBDINORT-OAQYLSRUSA-N 0 0 425.529 4.061 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)s2)cs1 ZINC000014180253 556382149 /nfs/dbraw/zinc/38/21/49/556382149.db2.gz USEATSYZYAGCRD-WMLDXEAASA-N 0 0 425.579 4.406 50 0 IIAARN COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 ZINC000011977081 556383431 /nfs/dbraw/zinc/38/34/31/556383431.db2.gz ZHKFKRBPPHZUEN-VHTFYLNKSA-N 0 0 433.483 4.041 50 0 IIAARN COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ccc(Sc4nncn4C)o3)C2)cc1C ZINC000012026711 556387743 /nfs/dbraw/zinc/38/77/43/556387743.db2.gz XQHHOEOXGBZFGR-KRWDZBQOSA-N 0 0 440.569 4.280 50 0 IIAARN CCOc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000014197126 556388820 /nfs/dbraw/zinc/38/88/20/556388820.db2.gz VXOASBMOIZFZDN-UHFFFAOYSA-N 0 0 430.302 4.110 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000014202033 556392299 /nfs/dbraw/zinc/39/22/99/556392299.db2.gz RCMRXZRNRUWPBB-UHFFFAOYSA-N 0 0 430.504 4.010 50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(N4CCOC4=O)c3)c12 ZINC000032816846 556392829 /nfs/dbraw/zinc/39/28/29/556392829.db2.gz VSTXIMFPFFUHEO-UHFFFAOYSA-N 0 0 427.464 4.153 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 ZINC000014227907 556395532 /nfs/dbraw/zinc/39/55/32/556395532.db2.gz DOXDZRRGSURHRJ-OAQYLSRUSA-N 0 0 431.517 4.412 50 0 IIAARN CN(C)C(=O)[C@@H]1CN(C(=O)CCCSc2nc3ccccc3s2)c2ccccc2O1 ZINC000032810478 556397072 /nfs/dbraw/zinc/39/70/72/556397072.db2.gz IIMLEQRNIRRVGE-SFHVURJKSA-N 0 0 441.578 4.051 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000032810644 556397289 /nfs/dbraw/zinc/39/72/89/556397289.db2.gz RRGCYSWPKSZAQJ-UHFFFAOYSA-N 0 0 442.625 4.148 50 0 IIAARN C[C@@H](Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1ccccc1 ZINC000014241297 556401559 /nfs/dbraw/zinc/40/15/59/556401559.db2.gz VUDNPMKWVZZLLL-MRXNPFEDSA-N 0 0 429.567 4.004 50 0 IIAARN COc1ccc(-c2noc(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000012090411 556402473 /nfs/dbraw/zinc/40/24/73/556402473.db2.gz LXLFZEPBCFNXAR-UHFFFAOYSA-N 0 0 433.430 4.248 50 0 IIAARN CC(C)c1noc(-c2ccc(OCC(=O)NCc3cccc(Br)c3)cc2)n1 ZINC000032578800 556405511 /nfs/dbraw/zinc/40/55/11/556405511.db2.gz JMKHGOCNAXCHOZ-UHFFFAOYSA-N 0 0 430.302 4.318 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4cccc(C)c4)cc3)n2)cc1 ZINC000032578880 556405729 /nfs/dbraw/zinc/40/57/29/556405729.db2.gz ZZHJFEYPUKCBRS-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN COc1ccc(OCCN2CCN(C(=O)c3sc(-c4ccsc4)nc3C)CC2)cc1 ZINC000014248947 556408073 /nfs/dbraw/zinc/40/80/73/556408073.db2.gz UQLIGFSLFLVKQS-UHFFFAOYSA-N 0 0 443.594 4.025 50 0 IIAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000014249938 556408402 /nfs/dbraw/zinc/40/84/02/556408402.db2.gz CIKGIVDJRFQTOL-UHFFFAOYSA-N 0 0 436.577 4.040 50 0 IIAARN CCOc1ccccc1OCCCC(=O)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000014251065 556409010 /nfs/dbraw/zinc/40/90/10/556409010.db2.gz SAKJDLIAMRSUKW-UHFFFAOYSA-N 0 0 445.317 4.431 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN([C@@H](C)c4nc(-c5ccc(C)cc5)no4)CC3)n2)cc1 ZINC000032825500 556410934 /nfs/dbraw/zinc/41/09/34/556410934.db2.gz GREBMLJTCPIGRM-IBGZPJMESA-N 0 0 444.539 4.282 50 0 IIAARN Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2)n1 ZINC000032623726 556411018 /nfs/dbraw/zinc/41/10/18/556411018.db2.gz WWWLZNKKJPZYNU-UHFFFAOYSA-N 0 0 437.304 4.285 50 0 IIAARN O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000032827616 556411429 /nfs/dbraw/zinc/41/14/29/556411429.db2.gz JJHCYIYCJDGJSU-INIZCTEOSA-N 0 0 447.366 4.480 50 0 IIAARN O=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1 ZINC000032819382 556411902 /nfs/dbraw/zinc/41/19/02/556411902.db2.gz LOSPNFOXTLXYTQ-FQEVSTJZSA-N 0 0 429.607 4.061 50 0 IIAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219361907 556413599 /nfs/dbraw/zinc/41/35/99/556413599.db2.gz CBRSWCBDYNFWFA-GOSISDBHSA-N 0 0 442.509 4.012 50 0 IIAARN O=C(CSc1nnc2n1CCCCC2)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032671992 556414413 /nfs/dbraw/zinc/41/44/13/556414413.db2.gz CEJNRBPFZFSCAQ-HNNXBMFYSA-N 0 0 427.555 4.129 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)n2)cc1 ZINC000014376300 556415023 /nfs/dbraw/zinc/41/50/23/556415023.db2.gz YKRXVEGCRNGSJG-UHFFFAOYSA-N 0 0 435.530 4.419 50 0 IIAARN CCOC(=O)Nc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 ZINC000014420138 556415673 /nfs/dbraw/zinc/41/56/73/556415673.db2.gz MWLYFXUGYGMHHT-UHFFFAOYSA-N 0 0 436.508 4.494 50 0 IIAARN COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000032665976 556417113 /nfs/dbraw/zinc/41/71/13/556417113.db2.gz QAMLPEUEJDHSRU-GOSISDBHSA-N 0 0 435.471 4.488 50 0 IIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)n1 ZINC000012974370 556420300 /nfs/dbraw/zinc/42/03/00/556420300.db2.gz MKBOMSRXDZZUHR-UHFFFAOYSA-N 0 0 435.487 4.441 50 0 IIAARN CC(=O)c1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012976500 556422009 /nfs/dbraw/zinc/42/20/09/556422009.db2.gz NPPOGGMAGWAUAJ-UHFFFAOYSA-N 0 0 427.522 4.392 50 0 IIAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Br)cc1 ZINC000012976600 556422222 /nfs/dbraw/zinc/42/22/22/556422222.db2.gz ACXLMLFMZTWYAB-UHFFFAOYSA-N 0 0 432.343 4.197 50 0 IIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSc1ccc(NC(C)=O)cc1 ZINC000012978869 556423348 /nfs/dbraw/zinc/42/33/48/556423348.db2.gz XYDMCLVMDSPGND-UHFFFAOYSA-N 0 0 433.961 4.186 50 0 IIAARN CC(=O)Nc1ccc(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000012983443 556425634 /nfs/dbraw/zinc/42/56/34/556425634.db2.gz BVVUDVJMZCHSLQ-UHFFFAOYSA-N 0 0 431.315 4.168 50 0 IIAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000032842259 556427676 /nfs/dbraw/zinc/42/76/76/556427676.db2.gz KMYRDFRYJZTBTQ-UHFFFAOYSA-N 0 0 439.415 4.279 50 0 IIAARN COc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 ZINC000012988899 556428232 /nfs/dbraw/zinc/42/82/32/556428232.db2.gz UAIYTTUPOXAFTE-UHFFFAOYSA-N 0 0 434.452 4.371 50 0 IIAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012995400 556430728 /nfs/dbraw/zinc/43/07/28/556430728.db2.gz SHOBQNJEYOGDAG-UHFFFAOYSA-N 0 0 446.981 4.215 50 0 IIAARN CCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCS3 ZINC000012999230 556432653 /nfs/dbraw/zinc/43/26/53/556432653.db2.gz PUNXWYZUKJEIPE-ZDUSSCGKSA-N 0 0 445.635 4.411 50 0 IIAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(F)cc1F ZINC000013001251 556433338 /nfs/dbraw/zinc/43/33/38/556433338.db2.gz QLODQPOBHJMWKQ-CYBMUJFWSA-N 0 0 430.524 4.464 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000013004802 556434495 /nfs/dbraw/zinc/43/44/95/556434495.db2.gz FQSUEHVXTMNPQV-HXUWFJFHSA-N 0 0 434.458 4.498 50 0 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Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cnc12 ZINC000029797891 556483200 /nfs/dbraw/zinc/48/32/00/556483200.db2.gz ZNNIUJLUPABYMT-NRFANRHFSA-N 0 0 447.535 4.010 50 0 IIAARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OCC ZINC000015012859 556484063 /nfs/dbraw/zinc/48/40/63/556484063.db2.gz PSGGXOPOXRQSOX-DHDCSXOGSA-N 0 0 427.906 4.125 50 0 IIAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)cc2)co1 ZINC000029953796 556487273 /nfs/dbraw/zinc/48/72/73/556487273.db2.gz AFHOFJOGKVIGAK-OAHLLOKOSA-N 0 0 440.297 4.404 50 0 IIAARN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O)N1CCCCC1 ZINC000015019174 556487507 /nfs/dbraw/zinc/48/75/07/556487507.db2.gz JXFBAKVBHRBCIT-WOJGMQOQSA-N 0 0 432.448 4.274 50 0 IIAARN C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000013145478 556487616 /nfs/dbraw/zinc/48/76/16/556487616.db2.gz UNKHGKODCKCGQR-GFCCVEGCSA-N 0 0 443.575 4.163 50 0 IIAARN CSc1nc2ccc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)cc2s1 ZINC000013146336 556488320 /nfs/dbraw/zinc/48/83/20/556488320.db2.gz FXXDDASYHHUURG-LAJNKCICSA-N 0 0 446.598 4.094 50 0 IIAARN COc1ccc(-c2nc(SCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)n[nH]2)cc1 ZINC000030021865 556489435 /nfs/dbraw/zinc/48/94/35/556489435.db2.gz JYTVBKSLFMTYOO-UHFFFAOYSA-N 0 0 446.536 4.274 50 0 IIAARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000030314130 556493026 /nfs/dbraw/zinc/49/30/26/556493026.db2.gz DPOGPAFKUDGBNZ-UHFFFAOYSA-N 0 0 435.446 4.488 50 0 IIAARN CSc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1 ZINC000013164469 556496471 /nfs/dbraw/zinc/49/64/71/556496471.db2.gz KBDKLXIITPFAEL-QGZVFWFLSA-N 0 0 432.611 4.244 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1Cc1ccco1 ZINC000013164684 556497016 /nfs/dbraw/zinc/49/70/16/556497016.db2.gz MEKXAPXPIVMVAC-VWLOTQADSA-N 0 0 445.475 4.142 50 0 IIAARN COc1ccc(COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)cc1F ZINC000032708051 556500731 /nfs/dbraw/zinc/50/07/31/556500731.db2.gz ROHIAAUXSWDQBQ-UHFFFAOYSA-N 0 0 429.469 4.016 50 0 IIAARN COc1c2c(c(Br)c(C[C@H]3CC(c4ccc(F)cc4)=NO3)c1OC)OCO2 ZINC000015084716 556501892 /nfs/dbraw/zinc/50/18/92/556501892.db2.gz JZANKHVWXBAVAG-LBPRGKRZSA-N 0 0 438.249 4.070 50 0 IIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1N[C@H]3c1ccco1)n(C)c(=O)n(C)c2=O ZINC000015109377 556504758 /nfs/dbraw/zinc/50/47/58/556504758.db2.gz RVQTUYVGHUOHKD-NRFANRHFSA-N 0 0 438.487 4.111 50 0 IIAARN COc1ccc(CCN(C)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1OC ZINC000030781597 556505728 /nfs/dbraw/zinc/50/57/28/556505728.db2.gz BSZSJBSHKWHDDX-UHFFFAOYSA-N 0 0 430.451 4.271 50 0 IIAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000030767965 556505759 /nfs/dbraw/zinc/50/57/59/556505759.db2.gz QYGAVMBKCVIBTA-UHFFFAOYSA-N 0 0 445.331 4.389 50 0 IIAARN Cc1c2cc(Cl)c(OCC(=O)NC[C@H]3CCCO3)cc2oc(=O)c1Cc1ccccc1 ZINC000030822684 556506801 /nfs/dbraw/zinc/50/68/01/556506801.db2.gz LQUDAPAJDQEAGO-QGZVFWFLSA-N 0 0 441.911 4.020 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000013465572 556507063 /nfs/dbraw/zinc/50/70/63/556507063.db2.gz CETMLVYRKWOMJZ-LJQANCHMSA-N 0 0 443.906 4.246 50 0 IIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000032882046 556508507 /nfs/dbraw/zinc/50/85/07/556508507.db2.gz BBEYQQBXJPZTMK-QFIPXVFZSA-N 0 0 439.943 4.110 50 0 IIAARN Cc1noc2ncc(S(=O)(=O)N3CCCN(Cc4ccccc4)c4ccccc43)cc12 ZINC000072294547 556510784 /nfs/dbraw/zinc/51/07/84/556510784.db2.gz TYPNIPZBBFRODO-UHFFFAOYSA-N 0 0 434.521 4.137 50 0 IIAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCC3)c1ccccc1 ZINC000013514048 556511183 /nfs/dbraw/zinc/51/11/83/556511183.db2.gz VUUDRCSJBNPEMO-UHFFFAOYSA-N 0 0 436.920 4.239 50 0 IIAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[C@H]3c3nnc4ccccn43)c12 ZINC000032888494 556511355 /nfs/dbraw/zinc/51/13/55/556511355.db2.gz SPSUDOZHKOXQQJ-IBGZPJMESA-N 0 0 442.454 4.357 50 0 IIAARN CCCCc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030938308 556515623 /nfs/dbraw/zinc/51/56/23/556515623.db2.gz VDWHVSGULKQLHN-FQEVSTJZSA-N 0 0 436.961 4.238 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccco1 ZINC000011072292 556517818 /nfs/dbraw/zinc/51/78/18/556517818.db2.gz KQTUPYOWLJDHDY-DEOSSOPVSA-N 0 0 439.515 4.418 50 0 IIAARN CC(C)(C)OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000072296293 556521210 /nfs/dbraw/zinc/52/12/10/556521210.db2.gz GHYANSMJZKKNHK-UHFFFAOYSA-N 0 0 432.929 4.425 50 0 IIAARN CC(C)[S@@](=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000072300995 556523876 /nfs/dbraw/zinc/52/38/76/556523876.db2.gz YRQAPYWABVDNIR-LJAQVGFWSA-N 0 0 448.610 4.020 50 0 IIAARN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccco2)cc1 ZINC000013574106 556524428 /nfs/dbraw/zinc/52/44/28/556524428.db2.gz PSYMXTPVVXIIDG-NRFANRHFSA-N 0 0 426.432 4.308 50 0 IIAARN COc1ccc(OC)c(N2CC(=O)N(c3cc(C)cc(C)c3)[C@@H](c3ccccc3)C2=O)c1 ZINC000015412422 556525168 /nfs/dbraw/zinc/52/51/68/556525168.db2.gz IGVFXPMTFGPXJY-VWLOTQADSA-N 0 0 430.504 4.442 50 0 IIAARN Cc1cc(C2=NNC(=Nc3cccc(Cl)c3)SC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000015452852 556528863 /nfs/dbraw/zinc/52/88/63/556528863.db2.gz ORVZHWVGWMBMHF-MRXNPFEDSA-N 0 0 436.990 4.037 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000032900618 556529359 /nfs/dbraw/zinc/52/93/59/556529359.db2.gz PEZUNPYNUOPLIZ-IBGZPJMESA-N 0 0 428.492 4.318 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1-c1cccs1 ZINC000015474628 556529734 /nfs/dbraw/zinc/52/97/34/556529734.db2.gz QLVARVWYWNLFAP-UHFFFAOYSA-N 0 0 438.962 4.428 50 0 IIAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900652 556529862 /nfs/dbraw/zinc/52/98/62/556529862.db2.gz MKPMZGGINBSOSN-UHFFFAOYSA-N 0 0 430.386 4.150 50 0 IIAARN COc1cc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)ccc1OC(C)C ZINC000013593127 556530926 /nfs/dbraw/zinc/53/09/26/556530926.db2.gz HVAFITFUJPLWIT-BWKNWUBXSA-N 0 0 446.459 4.156 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(Cl)cc1Br ZINC000011082722 556531543 /nfs/dbraw/zinc/53/15/43/556531543.db2.gz RVJYCPAIWPCKTK-UHFFFAOYSA-N 0 0 448.748 4.385 50 0 IIAARN Cc1ccc(Cl)c(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1Cl ZINC000015524245 556533153 /nfs/dbraw/zinc/53/31/53/556533153.db2.gz PRUXHVHPILQTCJ-UHFFFAOYSA-N 0 0 434.367 4.269 50 0 IIAARN Cc1cc(=O)c(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)nn1-c1ccccc1F ZINC000015612663 556538019 /nfs/dbraw/zinc/53/80/19/556538019.db2.gz TWRSKHBRLMEUGP-OAQYLSRUSA-N 0 0 437.471 4.400 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)Cc3cccc4ccccc43)s2)c1 ZINC000013629615 556538823 /nfs/dbraw/zinc/53/88/23/556538823.db2.gz ZANWUTGERMQPRK-UHFFFAOYSA-N 0 0 437.546 4.155 50 0 IIAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000015649335 556540660 /nfs/dbraw/zinc/54/06/60/556540660.db2.gz JKCIFIAJRCIJRX-UHFFFAOYSA-N 0 0 434.561 4.321 50 0 IIAARN COc1ccccc1[C@H]1[C@H](C(=O)NCCc2ccccn2)CCC(=O)N1c1ccc(C)cc1 ZINC000032904282 556543707 /nfs/dbraw/zinc/54/37/07/556543707.db2.gz OVZJGIWEUAJCMG-BVAGGSTKSA-N 0 0 443.547 4.242 50 0 IIAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)Nc4nccs4)ccc3c2=O)cc1 ZINC000013654649 556545574 /nfs/dbraw/zinc/54/55/74/556545574.db2.gz QSKUKVYJURJRGI-UHFFFAOYSA-N 0 0 438.461 4.376 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000013656213 556546452 /nfs/dbraw/zinc/54/64/52/556546452.db2.gz LCUFDRWCPBCEDQ-FQEVSTJZSA-N 0 0 437.971 4.351 50 0 IIAARN CC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2s1 ZINC000032959530 556548128 /nfs/dbraw/zinc/54/81/28/556548128.db2.gz UPOCXLUNMDSNST-UHFFFAOYSA-N 0 0 442.972 4.108 50 0 IIAARN Cn1ccnc1Sc1ccc(F)cc1NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000072304352 556548460 /nfs/dbraw/zinc/54/84/60/556548460.db2.gz YUHGBGWUSLMTHK-DZGCQCFKSA-N 0 0 434.537 4.342 50 0 IIAARN O=C(NCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000015767411 556549153 /nfs/dbraw/zinc/54/91/53/556549153.db2.gz JWWIUUUKXQATBP-CPNJWEJPSA-N 0 0 425.282 4.129 50 0 IIAARN CC[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C)c1ccc(Cl)cc1 ZINC000032905060 556550273 /nfs/dbraw/zinc/55/02/73/556550273.db2.gz MXNUKNAMKHXKCU-SFHVURJKSA-N 0 0 444.988 4.461 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OC)N(C(C)=O)c1ccccc1-2 ZINC000032997266 556551060 /nfs/dbraw/zinc/55/10/60/556551060.db2.gz LWCSUKRCKDWJBL-OAQYLSRUSA-N 0 0 438.509 4.112 50 0 IIAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)c1C ZINC000015817052 556553663 /nfs/dbraw/zinc/55/36/63/556553663.db2.gz DPDBEAOLQMKVEP-LBPRGKRZSA-N 0 0 440.554 4.187 50 0 IIAARN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115559 556555461 /nfs/dbraw/zinc/55/54/61/556555461.db2.gz WPOYOCYCHKPVRU-UHFFFAOYSA-N 0 0 426.582 4.314 50 0 IIAARN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000015851543 556557532 /nfs/dbraw/zinc/55/75/32/556557532.db2.gz SMWVKOHHKXGWMF-KRWDZBQOSA-N 0 0 442.471 4.288 50 0 IIAARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000015859653 556558194 /nfs/dbraw/zinc/55/81/94/556558194.db2.gz MEBXEOIKBWYSLU-XMMPIXPASA-N 0 0 431.536 4.024 50 0 IIAARN CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 ZINC000015859657 556558233 /nfs/dbraw/zinc/55/82/33/556558233.db2.gz JRRAPCSTJVDFGI-HXUWFJFHSA-N 0 0 425.554 4.330 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1C ZINC000033274527 556558460 /nfs/dbraw/zinc/55/84/60/556558460.db2.gz GCRJGNOBUFWQDQ-UHFFFAOYSA-N 0 0 434.561 4.452 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1 ZINC000033274665 556558804 /nfs/dbraw/zinc/55/88/04/556558804.db2.gz KRVDGUJMHCKLQK-UHFFFAOYSA-N 0 0 442.581 4.223 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033274763 556559172 /nfs/dbraw/zinc/55/91/72/556559172.db2.gz GDCCZTXRLYVXBO-UHFFFAOYSA-N 0 0 442.581 4.224 50 0 IIAARN Cn1nc(C(F)(F)F)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C(F)(F)F ZINC000072306839 556560513 /nfs/dbraw/zinc/56/05/13/556560513.db2.gz SPXJSNQPDVRJHK-UHFFFAOYSA-N 0 0 440.775 4.074 50 0 IIAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)CCCc1cccs1 ZINC000072306779 556560526 /nfs/dbraw/zinc/56/05/26/556560526.db2.gz LUXYQCFVCDBSLH-SFHVURJKSA-N 0 0 449.370 4.215 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2-n2cccc2)cc1 ZINC000015881909 556560540 /nfs/dbraw/zinc/56/05/40/556560540.db2.gz AYDAAZBKPZLSCV-UHFFFAOYSA-N 0 0 441.463 4.076 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)s2)cc1Cl ZINC000032907107 556560573 /nfs/dbraw/zinc/56/05/73/556560573.db2.gz QKWPRHMVZMOABB-UHFFFAOYSA-N 0 0 425.897 4.174 50 0 IIAARN C[C@H](C(=O)N(Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1)c1ccccc1)n1cccn1 ZINC000072307982 556563297 /nfs/dbraw/zinc/56/32/97/556563297.db2.gz ZTTJYQKMQCNDCG-VQTJNVASSA-N 0 0 442.523 4.074 50 0 IIAARN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1O ZINC000033686143 556566754 /nfs/dbraw/zinc/56/67/54/556566754.db2.gz DPKRSJDEMOVVLA-YBEGLDIGSA-N 0 0 432.885 4.119 50 0 IIAARN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969233 556569729 /nfs/dbraw/zinc/56/97/29/556569729.db2.gz BKGNLSHFTSZWQC-WUMKDDEVSA-N 0 0 444.959 4.361 50 0 IIAARN C[C@@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccccc1 ZINC000016023978 556575944 /nfs/dbraw/zinc/57/59/44/556575944.db2.gz JBALTJMJHKMTIP-CQSZACIVSA-N 0 0 431.945 4.312 50 0 IIAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1cn2ccsc2n1)c1ccccc1 ZINC000032910073 556578909 /nfs/dbraw/zinc/57/89/09/556578909.db2.gz GZNHSXSXDZWQLJ-OAQYLSRUSA-N 0 0 435.505 4.260 50 0 IIAARN CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1cccc2cccnc21)C(Cl)(Cl)Cl ZINC000003877972 556578949 /nfs/dbraw/zinc/57/89/49/556578949.db2.gz RVZDGBGXEWQDGQ-ZDUSSCGKSA-N 0 0 433.792 4.380 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nc(C)nc3sc(C)c(C)c31)OCO2 ZINC000016049909 556580818 /nfs/dbraw/zinc/58/08/18/556580818.db2.gz ZSMGPJFGLCMYQW-UHFFFAOYSA-N 0 0 429.523 4.279 50 0 IIAARN COC(=O)c1ccccc1N(C)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000034865592 556584662 /nfs/dbraw/zinc/58/46/62/556584662.db2.gz NUVMSVPKBZVUNY-NRFANRHFSA-N 0 0 426.563 4.207 50 0 IIAARN CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000032911868 556585313 /nfs/dbraw/zinc/58/53/13/556585313.db2.gz JCSFITPJDHHCJV-KRWDZBQOSA-N 0 0 428.476 4.044 50 0 IIAARN Cc1ccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2N2CCOCC2)cc1 ZINC000016213391 556591179 /nfs/dbraw/zinc/59/11/79/556591179.db2.gz NPKOCIMLUKRXAA-UHFFFAOYSA-N 0 0 429.520 4.265 50 0 IIAARN COc1cccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2-c2ccccc2)c1 ZINC000016246353 556594076 /nfs/dbraw/zinc/59/40/76/556594076.db2.gz YIXRFFYIKPVRMR-UHFFFAOYSA-N 0 0 441.516 4.472 50 0 IIAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(OC)c(OC)c2)c1 ZINC000036248041 556595260 /nfs/dbraw/zinc/59/52/60/556595260.db2.gz HDQWENYXFHKUKV-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN Cc1cccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1C ZINC000016349961 556602109 /nfs/dbraw/zinc/60/21/09/556602109.db2.gz MJACDPQSYVPBNP-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)cc1F)C(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000032983450 556602147 /nfs/dbraw/zinc/60/21/47/556602147.db2.gz REXWXMDBKUKVBJ-UHFFFAOYSA-N 0 0 429.883 4.050 50 0 IIAARN COc1cccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)c1 ZINC000016392123 556604536 /nfs/dbraw/zinc/60/45/36/556604536.db2.gz RJMLWTRDSYQQEX-UHFFFAOYSA-N 0 0 427.298 4.145 50 0 IIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5ccccc5)CC4)n23)c1 ZINC000037554652 556604781 /nfs/dbraw/zinc/60/47/81/556604781.db2.gz XXSRQUAQVYIRAT-UHFFFAOYSA-N 0 0 448.530 4.215 50 0 IIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000032996031 556611195 /nfs/dbraw/zinc/61/11/95/556611195.db2.gz SYJLTHFXCYBRGA-QFIPXVFZSA-N 0 0 437.499 4.383 50 0 IIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1NC(=O)C(C)C ZINC000016651452 556620638 /nfs/dbraw/zinc/62/06/38/556620638.db2.gz ISYQCIIVSAHNCI-MRXNPFEDSA-N 0 0 436.487 4.152 50 0 IIAARN Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(CN4CCCC4=O)o3)cc2)cc1 ZINC000016681212 556623834 /nfs/dbraw/zinc/62/38/34/556623834.db2.gz IWTOCDNKNGKTPH-UHFFFAOYSA-N 0 0 438.509 4.024 50 0 IIAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccccc3Cl)CC2)o1 ZINC000097937985 556627711 /nfs/dbraw/zinc/62/77/11/556627711.db2.gz MGHDUFMNRXSEJA-UHFFFAOYSA-N 0 0 426.908 4.263 50 0 IIAARN CSc1ccc(CCN2C(=O)Cn3cccc3[C@@H]2C(=O)NC2CCC(C)CC2)cc1 ZINC000005065581 556629851 /nfs/dbraw/zinc/62/98/51/556629851.db2.gz FWSJUQMBSKYXTO-MCSCQSGASA-N 0 0 425.598 4.031 50 0 IIAARN Cc1nc(COc2cccc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)c2)cs1 ZINC000016708688 556630073 /nfs/dbraw/zinc/63/00/73/556630073.db2.gz PCRIJVNARXVEGZ-UHFFFAOYSA-N 0 0 445.548 4.460 50 0 IIAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000016707050 556630141 /nfs/dbraw/zinc/63/01/41/556630141.db2.gz ZSBCXAOHDNGUPY-UHFFFAOYSA-N 0 0 426.904 4.188 50 0 IIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000016728770 556631064 /nfs/dbraw/zinc/63/10/64/556631064.db2.gz NJJPIZXRIKVTPC-QGZVFWFLSA-N 0 0 436.961 4.311 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3cccc(OC)c3)C2)cc1 ZINC000097938657 556635188 /nfs/dbraw/zinc/63/51/88/556635188.db2.gz GCHLTPKGDRTYIU-IBGZPJMESA-N 0 0 428.492 4.203 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1CCCO ZINC000016752279 556637924 /nfs/dbraw/zinc/63/79/24/556637924.db2.gz GXCGYXPXPDQDBJ-XMMPIXPASA-N 0 0 441.483 4.300 50 0 IIAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(Br)c1)N(CCO)C3=O ZINC000016753314 556638558 /nfs/dbraw/zinc/63/85/58/556638558.db2.gz KMGVSOUYIWRAIK-KRWDZBQOSA-N 0 0 448.700 4.055 50 0 IIAARN CCOc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000016767518 556640131 /nfs/dbraw/zinc/64/01/31/556640131.db2.gz HBNGTEZEVWQKLF-CYBMUJFWSA-N 0 0 425.453 4.349 50 0 IIAARN COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780472 556641373 /nfs/dbraw/zinc/64/13/73/556641373.db2.gz MVVGZEGTUQHUHR-UHFFFAOYSA-N 0 0 428.941 4.456 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)c1 ZINC000040485236 556644054 /nfs/dbraw/zinc/64/40/54/556644054.db2.gz DCFONCDBBGCQRL-UHFFFAOYSA-N 0 0 426.451 4.402 50 0 IIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000016822444 556645030 /nfs/dbraw/zinc/64/50/30/556645030.db2.gz FQVGJRKKHXDVOI-QGZVFWFLSA-N 0 0 425.916 4.063 50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)N1CCCc2ccccc21 ZINC000016840510 556645452 /nfs/dbraw/zinc/64/54/52/556645452.db2.gz OOIDGRZQSCRPCY-UHFFFAOYSA-N 0 0 444.560 4.483 50 0 IIAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)N1CCCc2ccccc21 ZINC000016840955 556645808 /nfs/dbraw/zinc/64/58/08/556645808.db2.gz KJAOOZSDSNFRIA-UHFFFAOYSA-N 0 0 430.533 4.000 50 0 IIAARN Cn1c(SCC(=O)NCCc2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016844894 556646630 /nfs/dbraw/zinc/64/66/30/556646630.db2.gz IVIXHQYDYOJDOX-UHFFFAOYSA-N 0 0 435.574 4.113 50 0 IIAARN CC(C)NC(=O)COc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037603375 556646674 /nfs/dbraw/zinc/64/66/74/556646674.db2.gz AVUHIZLOYGIEAC-QHCPKHFHSA-N 0 0 426.532 4.249 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726573 556647480 /nfs/dbraw/zinc/64/74/80/556647480.db2.gz SELWGFBGIWPZBW-AWEZNQCLSA-N 0 0 441.553 4.198 50 0 IIAARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 ZINC000038487287 556648302 /nfs/dbraw/zinc/64/83/02/556648302.db2.gz VPMGQTOTJMBASX-UHFFFAOYSA-N 0 0 438.487 4.122 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000016949351 556649916 /nfs/dbraw/zinc/64/99/16/556649916.db2.gz MCUDAAIEPNXAMY-GOSISDBHSA-N 0 0 439.943 4.372 50 0 IIAARN Cc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1=O ZINC000011746151 556650150 /nfs/dbraw/zinc/65/01/50/556650150.db2.gz ZRIVIXMUJGOXJC-UHFFFAOYSA-N 0 0 437.584 4.173 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000016957247 556650598 /nfs/dbraw/zinc/65/05/98/556650598.db2.gz AHMNRMXTZVXPRE-HSZRJFAPSA-N 0 0 443.503 4.370 50 0 IIAARN COc1ccc(-c2nc(NC(=O)COc3ccc(N4CCCC4=O)cc3)sc2C)cc1 ZINC000016961403 556651193 /nfs/dbraw/zinc/65/11/93/556651193.db2.gz GPEPMQBONKQGEN-UHFFFAOYSA-N 0 0 437.521 4.271 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)ccc1O ZINC000016972412 556651816 /nfs/dbraw/zinc/65/18/16/556651816.db2.gz DEZRGUHYIKQMKN-OAHLLOKOSA-N 0 0 441.484 4.050 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)NCCCc3nc4ccccc4[nH]3)s2)cc1OC ZINC000011759856 556653907 /nfs/dbraw/zinc/65/39/07/556653907.db2.gz MMEITLFKVFPXBQ-UHFFFAOYSA-N 0 0 436.537 4.375 50 0 IIAARN CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000033000289 556653867 /nfs/dbraw/zinc/65/38/67/556653867.db2.gz JEZZDVHIOAUDHA-KRWDZBQOSA-N 0 0 446.619 4.238 50 0 IIAARN COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000033004354 556654484 /nfs/dbraw/zinc/65/44/84/556654484.db2.gz JRBOREBUSKYURU-UHFFFAOYSA-N 0 0 427.508 4.442 50 0 IIAARN CCc1c(C)sc2nc(SC[C@H](O)c3ccccc3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000011772776 556655020 /nfs/dbraw/zinc/65/50/20/556655020.db2.gz DDAYHVWMDFXSBX-AEFFLSMTSA-N 0 0 430.595 4.334 50 0 IIAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000097653905 556655252 /nfs/dbraw/zinc/65/52/52/556655252.db2.gz FOEGJHLXFMBZKZ-WKKYRENDSA-N 0 0 449.334 4.280 50 0 IIAARN CCOc1ccc(CNC(=O)c2ccc(Cn3c4ccccc4nc(C)c3=O)cc2)cc1 ZINC000033005925 556655243 /nfs/dbraw/zinc/65/52/43/556655243.db2.gz WHOVTRUFBODCBL-UHFFFAOYSA-N 0 0 427.504 4.082 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(-c4cccnc4)on3)ccc2C)c1 ZINC000032926719 556655703 /nfs/dbraw/zinc/65/57/03/556655703.db2.gz DQDLLYMOVLCSIR-UHFFFAOYSA-N 0 0 448.504 4.407 50 0 IIAARN COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007924 556656779 /nfs/dbraw/zinc/65/67/79/556656779.db2.gz CMYDLISFIOJSGY-UHFFFAOYSA-N 0 0 433.555 4.362 50 0 IIAARN Cc1cccc(CN2C(=O)[C@@](O)(CC(=O)c3ccco3)c3cc(Br)ccc32)c1 ZINC000017086621 556657507 /nfs/dbraw/zinc/65/75/07/556657507.db2.gz QDHLLQPMZCDGRY-JOCHJYFZSA-N 0 0 440.293 4.358 50 0 IIAARN COc1ccc(OC)c(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000011835134 556659392 /nfs/dbraw/zinc/65/93/92/556659392.db2.gz VABMANGZJXSHOA-UHFFFAOYSA-N 0 0 429.473 4.123 50 0 IIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCC(=O)NCc2ccco2)n1C ZINC000017096088 556659768 /nfs/dbraw/zinc/65/97/68/556659768.db2.gz FPAPRXJGMWYZOY-HNNXBMFYSA-N 0 0 428.558 4.254 50 0 IIAARN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1C ZINC000017097251 556661507 /nfs/dbraw/zinc/66/15/07/556661507.db2.gz IXTNOPPDZIKQFL-UHFFFAOYSA-N 0 0 430.917 4.078 50 0 IIAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)n1 ZINC000011855628 556662135 /nfs/dbraw/zinc/66/21/35/556662135.db2.gz WIYKBPKQVDXMTB-UHFFFAOYSA-N 0 0 437.500 4.128 50 0 IIAARN COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccc(OC)cc4)cc3oc2=O)cc1 ZINC000011866245 556666231 /nfs/dbraw/zinc/66/62/31/556666231.db2.gz YUHXOLHWDGRQPM-UHFFFAOYSA-N 0 0 438.457 4.245 50 0 IIAARN CC(=O)N[C@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1Cl ZINC000032929434 556671429 /nfs/dbraw/zinc/67/14/29/556671429.db2.gz JEWYSEPJXIQWQM-GOSISDBHSA-N 0 0 438.307 4.465 50 0 IIAARN CCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OCC ZINC000248167911 556672193 /nfs/dbraw/zinc/67/21/93/556672193.db2.gz SQHYCUBZYNEFJH-FGIHOSLKSA-N 0 0 444.616 4.349 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1c(Cl)cccc1Cl)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000100792895 556673257 /nfs/dbraw/zinc/67/32/57/556673257.db2.gz KRJJAEBFQVYOKT-JZXOWHBKSA-N 0 0 436.726 4.182 50 0 IIAARN COc1ccccc1[C@H]1c2c(=O)[nH]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000017243078 556674254 /nfs/dbraw/zinc/67/42/54/556674254.db2.gz HKLWTKKDOGHQGI-GOSISDBHSA-N 0 0 443.569 4.310 50 0 IIAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(OC)c(OC)cc2F)cc1 ZINC000027967891 556685116 /nfs/dbraw/zinc/68/51/16/556685116.db2.gz PYFCLKZVFHBSAL-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN CCOc1ccccc1CNC(=O)c1cccc(NC(=O)c2nnc(CC(C)C)s2)c1 ZINC000033022924 556688175 /nfs/dbraw/zinc/68/81/75/556688175.db2.gz DSNSMHOZUKMUNI-UHFFFAOYSA-N 0 0 438.553 4.318 50 0 IIAARN O=C1[C@H]2[C@@H](C(=O)N1c1c(Cl)cccc1Cl)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000136011894 556688523 /nfs/dbraw/zinc/68/85/23/556688523.db2.gz KRJJAEBFQVYOKT-LZLYRXPVSA-N 0 0 436.726 4.182 50 0 IIAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000032937779 556690583 /nfs/dbraw/zinc/69/05/83/556690583.db2.gz VOTKKJLJKAKPHG-OAHLLOKOSA-N 0 0 445.441 4.328 50 0 IIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)n2)cc1C ZINC000010642828 556691084 /nfs/dbraw/zinc/69/10/84/556691084.db2.gz FXNHCZKIJWPSPD-UHFFFAOYSA-N 0 0 434.521 4.039 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCc1ccccc1 ZINC000046141536 556692961 /nfs/dbraw/zinc/69/29/61/556692961.db2.gz QTAXYKFOEVDOFC-UHFFFAOYSA-N 0 0 429.498 4.391 50 0 IIAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000046141545 556693327 /nfs/dbraw/zinc/69/33/27/556693327.db2.gz JYSOVVRVMCXKSY-UHFFFAOYSA-N 0 0 433.486 4.326 50 0 IIAARN COc1ccc(CC(=O)NCCc2ccc(-c3csc(C)n3)s2)c(OC)c1OC ZINC000024239178 556695773 /nfs/dbraw/zinc/69/57/73/556695773.db2.gz KPBIENCJPZRKTG-UHFFFAOYSA-N 0 0 432.567 4.107 50 0 IIAARN O=C(CNC(=S)N(Cc1cccs1)Cc1ccccc1)NCc1ccc(F)cc1 ZINC000013544539 556696414 /nfs/dbraw/zinc/69/64/14/556696414.db2.gz ZJVQSQFLQXAIJM-UHFFFAOYSA-N 0 0 427.570 4.080 50 0 IIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)(C)N5O ZINC000118918975 556696422 /nfs/dbraw/zinc/69/64/22/556696422.db2.gz HSNHEWPTHWDUDJ-XJJBTLLGSA-N 0 0 434.597 4.084 50 0 biogenic IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000137817117 556698368 /nfs/dbraw/zinc/69/83/68/556698368.db2.gz PUCZXUVHKHVZFL-RBZQAINGSA-N 0 0 444.487 4.063 50 0 IIAARN Cc1ccc(N2C(=O)C(=Cc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)NC2=S)cc1 ZINC000255961506 556700608 /nfs/dbraw/zinc/70/06/08/556700608.db2.gz KWKGPRNWBBAYAN-QLCJNQITSA-N 0 0 433.577 4.375 50 0 IIAARN COc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000033026022 556701751 /nfs/dbraw/zinc/70/17/51/556701751.db2.gz NYBKVJIUTSLXQL-IERDGZPVSA-N 0 0 434.989 4.019 50 0 IIAARN Cc1cccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 ZINC000033026128 556702237 /nfs/dbraw/zinc/70/22/37/556702237.db2.gz FYWMITNLEFEYCX-UHFFFAOYSA-N 0 0 431.517 4.313 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C12CCCCC2 ZINC000049549438 556706458 /nfs/dbraw/zinc/70/64/58/556706458.db2.gz GOZKHMVJWJFJOC-QFIPXVFZSA-N 0 0 433.552 4.323 50 0 IIAARN COc1cc(CCC2CCN(C(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc(OC)c1 ZINC000011128039 556710773 /nfs/dbraw/zinc/71/07/73/556710773.db2.gz DQUCCPLZJHYABU-UHFFFAOYSA-N 0 0 440.565 4.233 50 0 IIAARN Cc1nc(CN2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)cs1 ZINC000019224845 556716535 /nfs/dbraw/zinc/71/65/35/556716535.db2.gz CJCVRGTVFLIDSU-UHFFFAOYSA-N 0 0 445.592 4.333 50 0 IIAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000033037004 556719950 /nfs/dbraw/zinc/71/99/50/556719950.db2.gz DWEDRBIZBRXGQV-UHFFFAOYSA-N 0 0 425.492 4.131 50 0 IIAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2C1=O ZINC000011140807 556720254 /nfs/dbraw/zinc/72/02/54/556720254.db2.gz HQEOVBMOBKKJDZ-UHFFFAOYSA-N 0 0 439.899 4.115 50 0 IIAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000033037294 556722671 /nfs/dbraw/zinc/72/26/71/556722671.db2.gz OGEUPGXHTGPJKI-UHFFFAOYSA-N 0 0 432.455 4.468 50 0 IIAARN CCCCNC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccc(C)cc2)c1 ZINC000033037934 556723989 /nfs/dbraw/zinc/72/39/89/556723989.db2.gz LNZWLGDPRGQVQZ-UHFFFAOYSA-N 0 0 436.581 4.119 50 0 IIAARN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC000053523461 556726669 /nfs/dbraw/zinc/72/66/69/556726669.db2.gz GJSORYZFHJWBQO-UHFFFAOYSA-N 0 0 425.504 4.316 50 0 IIAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000072329340 556727022 /nfs/dbraw/zinc/72/70/22/556727022.db2.gz IPSVYODIHOQSPG-UHFFFAOYSA-N 0 0 429.904 4.119 50 0 IIAARN Clc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1Cl ZINC000054290483 556729894 /nfs/dbraw/zinc/72/98/94/556729894.db2.gz HUHRBLJSMPWZCE-UHFFFAOYSA-N 0 0 439.350 4.445 50 0 IIAARN CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000019294682 556734467 /nfs/dbraw/zinc/73/44/67/556734467.db2.gz HXULCBDKDHMXHS-UHFFFAOYSA-N 0 0 448.017 4.333 50 0 IIAARN Cc1cccn2c(CNCc3ccccc3OC(F)(F)F)c(C(=O)N3CCCCC3)nc12 ZINC000055168047 556736694 /nfs/dbraw/zinc/73/66/94/556736694.db2.gz UKHCUROBXGOQDI-UHFFFAOYSA-N 0 0 446.473 4.457 50 0 IIAARN COc1ccc2[nH]c(=O)c(C=C3SC(=O)N=C3Nc3cc(OC)cc(OC)c3)cc2c1 ZINC000080332310 556739153 /nfs/dbraw/zinc/73/91/53/556739153.db2.gz OONKSDWQILBPDV-UFWORHAWSA-N 0 0 437.477 4.272 50 0 IIAARN COc1ccc(-c2nc(CN(Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)c(OC)c1C ZINC000055344693 556740492 /nfs/dbraw/zinc/74/04/92/556740492.db2.gz FYLWPAIRSIKNHD-FQEVSTJZSA-N 0 0 449.551 4.256 50 0 IIAARN CCOC(=O)C1=C(CSc2nc(C)c(C)n2C2CCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000019354052 556745004 /nfs/dbraw/zinc/74/50/04/556745004.db2.gz UQNYGULKDMICNL-IBGZPJMESA-N 0 0 444.557 4.171 50 0 IIAARN Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)NCc5ccco5)CC4)nccn3n2)c1 ZINC000033048788 556745228 /nfs/dbraw/zinc/74/52/28/556745228.db2.gz GZBOUMFUYGZSKB-UHFFFAOYSA-N 0 0 429.524 4.139 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000019357562 556745382 /nfs/dbraw/zinc/74/53/82/556745382.db2.gz FBCWEAZHCXJPNA-JTQLQIEISA-N 0 0 427.671 4.165 50 0 IIAARN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000058077565 556756717 /nfs/dbraw/zinc/75/67/17/556756717.db2.gz UOSJNKLSPIFUFQ-QFIPXVFZSA-N 0 0 436.487 4.036 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000061880466 556762474 /nfs/dbraw/zinc/76/24/74/556762474.db2.gz CJQCYIZNMDUATF-SFHVURJKSA-N 0 0 436.987 4.225 50 0 IIAARN CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058160237 556764468 /nfs/dbraw/zinc/76/44/68/556764468.db2.gz JDARGXIVNBXDSH-UHFFFAOYSA-N 0 0 439.730 4.344 50 0 IIAARN COc1cc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)[nH]c(=O)c2cc1OC ZINC000058160661 556764706 /nfs/dbraw/zinc/76/47/06/556764706.db2.gz DEIKXQAFYNEOJQ-UHFFFAOYSA-N 0 0 439.899 4.486 50 0 IIAARN COc1cc2c(cc1NC(=O)CN1CCN(c3ccccc3F)CC1)oc1ccccc12 ZINC000058162369 556765951 /nfs/dbraw/zinc/76/59/51/556765951.db2.gz HDNDRSGYTHLUEB-UHFFFAOYSA-N 0 0 433.483 4.494 50 0 IIAARN O=C(NCCc1coc(-c2ccccc2)n1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000058163371 556766322 /nfs/dbraw/zinc/76/63/22/556766322.db2.gz SUINAUQNLHQGDY-UHFFFAOYSA-N 0 0 437.297 4.467 50 0 IIAARN CCOc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1OCC ZINC000005354247 556767389 /nfs/dbraw/zinc/76/73/89/556767389.db2.gz UOQKHNPCGPPCCQ-MRXNPFEDSA-N 0 0 428.529 4.059 50 0 biogenic IIAARN COc1ccc([C@H]2CCCCCN2CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169951 556767623 /nfs/dbraw/zinc/76/76/23/556767623.db2.gz PQSXDVDBONCONJ-ZJSXRUAMSA-N 0 0 443.494 4.315 50 0 IIAARN COc1ccccc1-c1nc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)cs1 ZINC000019483023 556768339 /nfs/dbraw/zinc/76/83/39/556768339.db2.gz WECTWHVATZJHMD-UHFFFAOYSA-N 0 0 426.494 4.007 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000058210509 556771922 /nfs/dbraw/zinc/77/19/22/556771922.db2.gz PMAIEBORFLWZNK-VXKWHMMOSA-N 0 0 443.569 4.077 50 0 IIAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](C(C)C)n3cnc4cc(F)c(F)cc43)cn2)n1 ZINC000058218310 556772874 /nfs/dbraw/zinc/77/28/74/556772874.db2.gz CBYGETVEGVRSLH-QFIPXVFZSA-N 0 0 438.482 4.026 50 0 IIAARN CCN(CC)C(=O)COc1ccc(NC(=O)c2cccn2Cc2ccncc2)cc1Cl ZINC000058244484 556774752 /nfs/dbraw/zinc/77/47/52/556774752.db2.gz SBZVGJLFFBQPPJ-UHFFFAOYSA-N 0 0 440.931 4.084 50 0 IIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C(/C)c2ccccc2Cl)CC1 ZINC000058305156 556778821 /nfs/dbraw/zinc/77/88/21/556778821.db2.gz IEMKMVHDHGGMSZ-VLGSPTGOSA-N 0 0 425.960 4.089 50 0 IIAARN CCC[C@@H](NC(=O)CCCc1nc(C(C)C)no1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058310084 556779504 /nfs/dbraw/zinc/77/95/04/556779504.db2.gz QCEKGEZUJDNUGM-HXUWFJFHSA-N 0 0 441.576 4.040 50 0 IIAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)c2ccccc2O1 ZINC000058356236 556782390 /nfs/dbraw/zinc/78/23/90/556782390.db2.gz YBKRQOZWGVWETC-IBGZPJMESA-N 0 0 428.579 4.051 50 0 IIAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000058369097 556783416 /nfs/dbraw/zinc/78/34/16/556783416.db2.gz VEXQYUOFHYAQOR-JOCHJYFZSA-N 0 0 428.554 4.276 50 0 IIAARN Cc1nc2ccc(C(=O)N[C@@H](C)c3cc4c(cc3Br)OCCO4)cc2nc1C ZINC000058382144 556784582 /nfs/dbraw/zinc/78/45/82/556784582.db2.gz GSZGUAUDAFAPKS-ZDUSSCGKSA-N 0 0 442.313 4.271 50 0 IIAARN C[C@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000058391905 556784878 /nfs/dbraw/zinc/78/48/78/556784878.db2.gz LZXJSHWZCKOJLM-HNNXBMFYSA-N 0 0 444.553 4.232 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(N3CCCCC3)c(Cl)c1)C[C@H]2O ZINC000058391502 556784882 /nfs/dbraw/zinc/78/48/82/556784882.db2.gz UJHFUOQKIYJUIX-LJQANCHMSA-N 0 0 445.947 4.429 50 0 IIAARN COc1ccc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)cc1Br ZINC000058401596 556785427 /nfs/dbraw/zinc/78/54/27/556785427.db2.gz FTZOKUHFJKAYMU-MRXNPFEDSA-N 0 0 429.723 4.140 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000058419139 556787421 /nfs/dbraw/zinc/78/74/21/556787421.db2.gz NONFDJQNEHQTKE-OAQYLSRUSA-N 0 0 425.554 4.123 50 0 IIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000058425173 556787700 /nfs/dbraw/zinc/78/77/00/556787700.db2.gz NNJICSZHJFPVGJ-GASCZTMLSA-N 0 0 425.460 4.355 50 0 IIAARN Cc1csc([C@](O)(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)C(F)(F)F)n1 ZINC000058827276 556792202 /nfs/dbraw/zinc/79/22/02/556792202.db2.gz IFXXMAYPNBRAIP-AZUAARDMSA-N 0 0 435.471 4.025 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccco2)Cc2cccs2)c(C)c1 ZINC000019534168 556793965 /nfs/dbraw/zinc/79/39/65/556793965.db2.gz WOYQXZUERIQQAB-UHFFFAOYSA-N 0 0 425.554 4.023 50 0 IIAARN O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000059020308 556794245 /nfs/dbraw/zinc/79/42/45/556794245.db2.gz HMZUUYVBXWPZRN-QFIPXVFZSA-N 0 0 434.467 4.026 50 0 IIAARN Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5sc(C)nc5c4)C3)nn2)n1 ZINC000062164401 556798062 /nfs/dbraw/zinc/79/80/62/556798062.db2.gz HMDRCDVZTXPRBE-KRWDZBQOSA-N 0 0 447.568 4.052 50 0 IIAARN COc1cc(-n2cc(C(=O)NC3CCCCC3)c3ccccc3c2=O)cc(OC)c1OC ZINC000072401188 556800075 /nfs/dbraw/zinc/80/00/75/556800075.db2.gz DVRMGQPMBDXFIA-UHFFFAOYSA-N 0 0 436.508 4.079 50 0 IIAARN Cc1nc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc1Cc1ccccc1F ZINC000059418954 556800259 /nfs/dbraw/zinc/80/02/59/556800259.db2.gz SHJFEUPNGYUYAB-UHFFFAOYSA-N 0 0 425.407 4.001 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003247928 556804981 /nfs/dbraw/zinc/80/49/81/556804981.db2.gz FTIHMXWYPZCCDA-UHFFFAOYSA-N 0 0 437.956 4.429 50 0 IIAARN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2ccc(Br)cc2C)CC1=O ZINC000060018683 556805828 /nfs/dbraw/zinc/80/58/28/556805828.db2.gz JEOJJJIQDATCMG-OAHLLOKOSA-N 0 0 431.330 4.090 50 0 IIAARN CCOc1cc(/C=C2/N=C(c3ccccc3I)OC2=O)ccc1OC ZINC000003291615 556806795 /nfs/dbraw/zinc/80/67/95/556806795.db2.gz KNSVBZCSLUMZLN-XNTDXEJSSA-N 0 0 449.244 4.043 50 0 IIAARN O=C(NCCc1ccccc1)C(=Cc1cccc(Cl)c1)C(=O)NCCc1ccccc1 ZINC000003256544 556807063 /nfs/dbraw/zinc/80/70/63/556807063.db2.gz QVLZGLCEZYCDJV-UHFFFAOYSA-N 0 0 432.951 4.441 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000003271699 556807831 /nfs/dbraw/zinc/80/78/31/556807831.db2.gz LDUKYVHYVMXOLN-JLHYYAGUSA-N 0 0 425.909 4.266 50 0 IIAARN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000003323155 556810469 /nfs/dbraw/zinc/81/04/69/556810469.db2.gz ALQRZMREDNMMNZ-SNVBAGLBSA-N 0 0 431.252 4.334 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003365113 556812022 /nfs/dbraw/zinc/81/20/22/556812022.db2.gz UVXKHWKMSNGVTM-NCUBBLFSSA-N 0 0 431.435 4.047 50 0 IIAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003342477 556813216 /nfs/dbraw/zinc/81/32/16/556813216.db2.gz QMULAPJFHYSHGL-UHFFFAOYSA-N 0 0 427.839 4.374 50 0 IIAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000003401376 556814362 /nfs/dbraw/zinc/81/43/62/556814362.db2.gz PSUHOCOLUZRSBE-FNORWQNLSA-N 0 0 427.762 4.283 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000003422900 556815016 /nfs/dbraw/zinc/81/50/16/556815016.db2.gz MXPXLIAMNYMSSP-UHFFFAOYSA-N 0 0 444.940 4.422 50 0 IIAARN C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000003449671 556816069 /nfs/dbraw/zinc/81/60/69/556816069.db2.gz BNKHEFQTJVGYAW-LBPRGKRZSA-N 0 0 438.427 4.104 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072402529 556816144 /nfs/dbraw/zinc/81/61/44/556816144.db2.gz WZJXBHAIWKVDEF-OFNKIYASSA-N 0 0 436.527 4.173 50 0 IIAARN CSc1cccc(NC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c1 ZINC000033063221 556818754 /nfs/dbraw/zinc/81/87/54/556818754.db2.gz UJAHRRDBJKMFNC-HXUWFJFHSA-N 0 0 425.535 4.063 50 0 IIAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)n2C)c1 ZINC000033067709 556819545 /nfs/dbraw/zinc/81/95/45/556819545.db2.gz LJCDOQUBCHSGTI-UHFFFAOYSA-N 0 0 426.929 4.490 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000033067899 556820085 /nfs/dbraw/zinc/82/00/85/556820085.db2.gz NERBELRBAGSAAR-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(Cl)cc3)nc2c1 ZINC000033067987 556820307 /nfs/dbraw/zinc/82/03/07/556820307.db2.gz CSSKSZDVITYOMN-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN CCCOc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005556704 556824811 /nfs/dbraw/zinc/82/48/11/556824811.db2.gz FDYBEGUCKZIUSH-OAQYLSRUSA-N 0 0 429.582 4.428 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662099 556825981 /nfs/dbraw/zinc/82/59/81/556825981.db2.gz IGTUXFHWOBETJE-XMMPIXPASA-N 0 0 437.565 4.185 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2ccccc2F)c1-c1ccncc1 ZINC000206643468 556826015 /nfs/dbraw/zinc/82/60/15/556826015.db2.gz QVJYJEZKOIRYFV-UHFFFAOYSA-N 0 0 437.862 4.442 50 0 IIAARN COc1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064800427 556827572 /nfs/dbraw/zinc/82/75/72/556827572.db2.gz KPGFCXYJSUEORL-UHFFFAOYSA-N 0 0 432.528 4.200 50 0 IIAARN O=C(NCc1ccco1)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958970 556829992 /nfs/dbraw/zinc/82/99/92/556829992.db2.gz XYJKXSKYRFVSDR-INIZCTEOSA-N 0 0 435.915 4.176 50 0 IIAARN Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000065002808 556830979 /nfs/dbraw/zinc/83/09/79/556830979.db2.gz BCONMFJGWBKHSI-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3ccccc3)cc21 ZINC000065002732 556831057 /nfs/dbraw/zinc/83/10/57/556831057.db2.gz QGSOGKGXUPERMY-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2 ZINC000065002916 556831225 /nfs/dbraw/zinc/83/12/25/556831225.db2.gz JYKCUPAGIFHAAY-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000065003215 556831516 /nfs/dbraw/zinc/83/15/16/556831516.db2.gz UGNJOVGKHLKUKF-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1C ZINC000065003620 556831713 /nfs/dbraw/zinc/83/17/13/556831713.db2.gz AKBQIIDHINUXQZ-LJQANCHMSA-N 0 0 434.561 4.373 50 0 IIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000022993290 556832312 /nfs/dbraw/zinc/83/23/12/556832312.db2.gz CCHNQWXPMJYRFI-CQSZACIVSA-N 0 0 446.912 4.252 50 0 IIAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4cccc(C)c4)c3n2)cc1 ZINC000065305075 556833135 /nfs/dbraw/zinc/83/31/35/556833135.db2.gz WAGYAGLLTVTTGB-UHFFFAOYSA-N 0 0 438.487 4.272 50 0 IIAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000019634248 556833979 /nfs/dbraw/zinc/83/39/79/556833979.db2.gz WWLMZZBLJGJQLN-UHFFFAOYSA-N 0 0 441.534 4.333 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000062580150 556835442 /nfs/dbraw/zinc/83/54/42/556835442.db2.gz GBJDYUVNNJJQJR-QHCPKHFHSA-N 0 0 432.524 4.449 50 0 IIAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N(C)Cc1cnn(C)c1C ZINC000019637039 556835759 /nfs/dbraw/zinc/83/57/59/556835759.db2.gz GGTAAXRHENSANK-UHFFFAOYSA-N 0 0 442.610 4.386 50 0 IIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 ZINC000065365366 556836005 /nfs/dbraw/zinc/83/60/05/556836005.db2.gz LROYNVVAVXOMJB-SFHVURJKSA-N 0 0 434.569 4.157 50 0 IIAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)NCc1ccco1 ZINC000334161581 556837211 /nfs/dbraw/zinc/83/72/11/556837211.db2.gz CKSNPLRUEFOXMT-UHFFFAOYSA-N 0 0 437.521 4.125 50 0 IIAARN CCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cccc(F)c3)sc2c1 ZINC000022997654 556838642 /nfs/dbraw/zinc/83/86/42/556838642.db2.gz KOODBECLPNFZRH-UHFFFAOYSA-N 0 0 443.544 4.203 50 0 IIAARN Cc1cc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc2c(C)c1 ZINC000022997822 556838647 /nfs/dbraw/zinc/83/86/47/556838647.db2.gz FYDPVDDQBKASDL-UHFFFAOYSA-N 0 0 439.581 4.047 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000019679145 556841623 /nfs/dbraw/zinc/84/16/23/556841623.db2.gz UMCKGRIFPBKTTL-VWLOTQADSA-N 0 0 447.441 4.083 50 0 IIAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc(Cl)cc1 ZINC000011212514 556842316 /nfs/dbraw/zinc/84/23/16/556842316.db2.gz GOTJFZTYGBAZPJ-CQSZACIVSA-N 0 0 441.881 4.276 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000011213001 556842572 /nfs/dbraw/zinc/84/25/72/556842572.db2.gz CTBCZGPXDDRRFE-XMMPIXPASA-N 0 0 440.609 4.478 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nncn2-c2ccccc2F)C1=O ZINC000008710525 556842867 /nfs/dbraw/zinc/84/28/67/556842867.db2.gz OKCAZVDQOYUOQY-SFHVURJKSA-N 0 0 444.919 4.373 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000060391848 556843030 /nfs/dbraw/zinc/84/30/30/556843030.db2.gz HWLLCRPAPLAKOD-GZTJUZNOSA-N 0 0 435.332 4.389 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC000008685361 556844836 /nfs/dbraw/zinc/84/48/36/556844836.db2.gz APGDEZKXZVBWLL-LBPRGKRZSA-N 0 0 442.295 4.308 50 0 IIAARN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(c3cnccn3)C4)nc12 ZINC000067713174 556846220 /nfs/dbraw/zinc/84/62/20/556846220.db2.gz BHVYAWHQUULNCO-UHFFFAOYSA-N 0 0 428.492 4.416 50 0 IIAARN O=C1N(CCOc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000068713288 556849516 /nfs/dbraw/zinc/84/95/16/556849516.db2.gz XDWKUSDXCPDQMT-ATIYNZHBSA-N 0 0 447.918 4.399 50 0 IIAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1ccccn1 ZINC000008854555 556850256 /nfs/dbraw/zinc/85/02/56/556850256.db2.gz FQGOSXGHKUTKLY-UHFFFAOYSA-N 0 0 434.384 4.452 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000008980501 556852125 /nfs/dbraw/zinc/85/21/25/556852125.db2.gz JZIOMDNMXRZSHF-UHFFFAOYSA-N 0 0 441.837 4.070 50 0 IIAARN COc1ccc(N2C[C@H](CNC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1 ZINC000008925477 556852167 /nfs/dbraw/zinc/85/21/67/556852167.db2.gz DJFSLJBLQNJSRO-KRWDZBQOSA-N 0 0 428.488 4.102 50 0 IIAARN Nn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000008943225 556853037 /nfs/dbraw/zinc/85/30/37/556853037.db2.gz BLVBGHBPUFLIDQ-IBGZPJMESA-N 0 0 437.475 4.409 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCCN(C)c3ccccc3)C2)s1 ZINC000033078488 556853364 /nfs/dbraw/zinc/85/33/64/556853364.db2.gz RIRRBENTQNQUFF-SFHVURJKSA-N 0 0 437.613 4.113 50 0 IIAARN Cc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1C ZINC000033087824 556855533 /nfs/dbraw/zinc/85/55/33/556855533.db2.gz QNMMSQMZEFAMPE-UHFFFAOYSA-N 0 0 443.594 4.141 50 0 IIAARN CC(C)n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087537 556857462 /nfs/dbraw/zinc/85/74/62/556857462.db2.gz VPMWYUVNBNMMSG-UHFFFAOYSA-N 0 0 430.574 4.228 50 0 IIAARN Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4cccs4)cs3)no2)no1 ZINC000033087461 556857651 /nfs/dbraw/zinc/85/76/51/556857651.db2.gz BANCUCFRZLUPCW-UHFFFAOYSA-N 0 0 433.540 4.415 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)s1 ZINC000033113049 556859773 /nfs/dbraw/zinc/85/97/73/556859773.db2.gz VHUQJOYEFZTEEN-CYBMUJFWSA-N 0 0 443.479 4.480 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000033114335 556861175 /nfs/dbraw/zinc/86/11/75/556861175.db2.gz IUOATSGKVBLOJN-GFCCVEGCSA-N 0 0 446.479 4.176 50 0 IIAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCCCC3)cc2)n1)C(=O)c1ccccc1 ZINC000033114367 556861199 /nfs/dbraw/zinc/86/11/99/556861199.db2.gz KIMAFMQPXSSUIE-UHFFFAOYSA-N 0 0 432.524 4.068 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccccc3F)ccc2=O)cc1Cl ZINC000033128235 556865307 /nfs/dbraw/zinc/86/53/07/556865307.db2.gz YQKGLTPPEMVXTG-AWEZNQCLSA-N 0 0 431.920 4.130 50 0 IIAARN Cc1ccc2[nH]c(CNC(=O)c3nc(-c4ccc(N5CCCCCC5)cc4)no3)nc2c1 ZINC000033129069 556866111 /nfs/dbraw/zinc/86/61/11/556866111.db2.gz VWOATTRFTMDTEB-UHFFFAOYSA-N 0 0 430.512 4.232 50 0 IIAARN Cc1ccc(-n2nc(O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1C ZINC000033125195 556866309 /nfs/dbraw/zinc/86/63/09/556866309.db2.gz JRFBGEGGFRDRIV-OAHLLOKOSA-N 0 0 431.414 4.274 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033125382 556866561 /nfs/dbraw/zinc/86/65/61/556866561.db2.gz AOYRMHYAQYCCTF-INIZCTEOSA-N 0 0 441.915 4.226 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000033131409 556871964 /nfs/dbraw/zinc/87/19/64/556871964.db2.gz ATDJSXFXRBAJAY-UHFFFAOYSA-N 0 0 438.977 4.088 50 0 IIAARN O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019720567 556876430 /nfs/dbraw/zinc/87/64/30/556876430.db2.gz QZFUVBQRVIYKQD-GOSISDBHSA-N 0 0 438.742 4.101 50 0 IIAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000033174037 556884231 /nfs/dbraw/zinc/88/42/31/556884231.db2.gz GVOPPBFYKRNFRM-GOSISDBHSA-N 0 0 438.572 4.309 50 0 IIAARN Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000033169899 556885031 /nfs/dbraw/zinc/88/50/31/556885031.db2.gz JKKRCNCPQATTBC-CQSZACIVSA-N 0 0 446.385 4.049 50 0 IIAARN Cc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1C ZINC000033170144 556885462 /nfs/dbraw/zinc/88/54/62/556885462.db2.gz PZFHMUDEUATYGD-UHFFFAOYSA-N 0 0 433.581 4.151 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)nc2cccnc21 ZINC000033170474 556885944 /nfs/dbraw/zinc/88/59/44/556885944.db2.gz FEVPKJQHEKEDQY-MRXNPFEDSA-N 0 0 430.483 4.499 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724501 556888558 /nfs/dbraw/zinc/88/85/58/556888558.db2.gz HINFGGGJIIYGHS-KBXCAEBGSA-N 0 0 439.541 4.389 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1C ZINC000033249313 556888985 /nfs/dbraw/zinc/88/89/85/556888985.db2.gz XQJXSVFGYOZGNJ-UHFFFAOYSA-N 0 0 444.553 4.013 50 0 IIAARN COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c1 ZINC000033249435 556889330 /nfs/dbraw/zinc/88/93/30/556889330.db2.gz NZKJHVYUJUXPDU-UHFFFAOYSA-N 0 0 444.940 4.356 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000033252183 556892759 /nfs/dbraw/zinc/89/27/59/556892759.db2.gz LDVKNFKBVUCSAI-UHFFFAOYSA-N 0 0 427.907 4.329 50 0 IIAARN CCOC(=O)c1c(=O)[nH]c2cc(Cl)ccc2c1NCCN1CCCc2ccccc21 ZINC000033256893 556895536 /nfs/dbraw/zinc/89/55/36/556895536.db2.gz PQVBDKPUMSYDPL-UHFFFAOYSA-N 0 0 425.916 4.223 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc(-c4cccc(NC(=O)NC(C)C)c4)no3)CC2=O)cc1C ZINC000033257436 556895723 /nfs/dbraw/zinc/89/57/23/556895723.db2.gz NYKUASGUECXBLV-SFHVURJKSA-N 0 0 433.512 4.404 50 0 IIAARN COc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)c(OC)c1 ZINC000033258645 556896450 /nfs/dbraw/zinc/89/64/50/556896450.db2.gz KIBVHIBQTJQEJC-UHFFFAOYSA-N 0 0 445.479 4.378 50 0 IIAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)s1 ZINC000033261368 556900436 /nfs/dbraw/zinc/90/04/36/556900436.db2.gz PKUJOMDLNGLBAF-UHFFFAOYSA-N 0 0 447.564 4.443 50 0 IIAARN Cc1cccn2c(CN[C@H](C)c3nc(-c4ccccc4)no3)c(C(=O)N3CCCCC3)nc12 ZINC000019787411 556914182 /nfs/dbraw/zinc/91/41/82/556914182.db2.gz QVJHCVUFVCNQSB-GOSISDBHSA-N 0 0 444.539 4.170 50 0 IIAARN CN1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)C[C@H]1c1ccccc1 ZINC000019791005 556914942 /nfs/dbraw/zinc/91/49/42/556914942.db2.gz CYWIWKYWLQBNBA-FQEVSTJZSA-N 0 0 429.879 4.175 50 0 IIAARN CC(=O)O[C@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019808277 556918315 /nfs/dbraw/zinc/91/83/15/556918315.db2.gz FEVCCASQPMYOGA-SANMLTNESA-N 0 0 428.532 4.225 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2Cc2ccco2)cc1 ZINC000019810637 556918954 /nfs/dbraw/zinc/91/89/54/556918954.db2.gz HHESBQOUOXJCIZ-UHFFFAOYSA-N 0 0 438.484 4.465 50 0 IIAARN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019860305 556932670 /nfs/dbraw/zinc/93/26/70/556932670.db2.gz PHHKJDOLGFUOHG-MRXNPFEDSA-N 0 0 439.002 4.242 50 0 IIAARN CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1)C3 ZINC000019890885 556939292 /nfs/dbraw/zinc/93/92/92/556939292.db2.gz HMWKKAOHDLZNKY-UHFFFAOYSA-N 0 0 435.520 4.300 50 0 IIAARN COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000019898542 556941179 /nfs/dbraw/zinc/94/11/79/556941179.db2.gz MRDWDKHWIVRQTH-NRFANRHFSA-N 0 0 449.894 4.345 50 0 IIAARN CC(C)NC(=O)c1cc(I)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000019908617 556942746 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557112776 /nfs/dbraw/zinc/11/27/76/557112776.db2.gz PFHHZXBGCGEQMQ-UHFFFAOYSA-N 0 0 431.477 4.277 50 0 IIAARN C[C@@H]1CN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000585152367 557112964 /nfs/dbraw/zinc/11/29/64/557112964.db2.gz UXXJDIFJVBGSRZ-HUUCEWRRSA-N 0 0 432.929 4.460 50 0 IIAARN CC(=O)Nc1ccc2c(COC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000049579005 557113518 /nfs/dbraw/zinc/11/35/18/557113518.db2.gz XYBROQOHKMTXHU-UHFFFAOYSA-N 0 0 429.856 4.306 50 0 IIAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1ccccc1 ZINC000023757448 557114653 /nfs/dbraw/zinc/11/46/53/557114653.db2.gz GKNSZHKMQDAONK-WIYYLYMNSA-N 0 0 432.973 4.104 50 0 IIAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000049600760 557114873 /nfs/dbraw/zinc/11/48/73/557114873.db2.gz NADKSYWFOAUPAN-NRFANRHFSA-N 0 0 445.538 4.180 50 0 IIAARN O=C(NCCOc1ccccc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023761622 557114963 /nfs/dbraw/zinc/11/49/63/557114963.db2.gz 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ZINC000024757027 557163674 /nfs/dbraw/zinc/16/36/74/557163674.db2.gz FPOHLMIQMQAWSQ-UHFFFAOYSA-N 0 0 445.331 4.389 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc2c1CCCC2 ZINC000024840294 557167988 /nfs/dbraw/zinc/16/79/88/557167988.db2.gz SBNVXWQMCBHDJT-UHFFFAOYSA-N 0 0 443.493 4.052 50 0 IIAARN CC(C)(C)c1ccc(-c2csc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000024829205 557169663 /nfs/dbraw/zinc/16/96/63/557169663.db2.gz VTXIAGXCWYSXNG-UHFFFAOYSA-N 0 0 448.548 4.499 50 0 IIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000755261 557170134 /nfs/dbraw/zinc/17/01/34/557170134.db2.gz PEQJGICVYJOIMS-UHFFFAOYSA-N 0 0 442.566 4.022 50 0 IIAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000207001862 557170249 /nfs/dbraw/zinc/17/02/49/557170249.db2.gz YNKNNHJIHPOCOB-HXUWFJFHSA-N 0 0 439.986 4.370 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c1 ZINC000207000952 557170372 /nfs/dbraw/zinc/17/03/72/557170372.db2.gz 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ZINC000009265036 557182659 /nfs/dbraw/zinc/18/26/59/557182659.db2.gz MIQIANKXJCWOQW-UHFFFAOYSA-N 0 0 437.550 4.439 50 0 IIAARN O=C(OCc1nc(-c2ccsc2)no1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024971092 557183738 /nfs/dbraw/zinc/18/37/38/557183738.db2.gz WMHDZWSSEHZWLV-UHFFFAOYSA-N 0 0 438.431 4.172 50 0 IIAARN COC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000024970981 557183773 /nfs/dbraw/zinc/18/37/73/557183773.db2.gz GYFDQIWPOOXXLL-UHFFFAOYSA-N 0 0 430.504 4.046 50 0 IIAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(Br)c1 ZINC000011557948 557183870 /nfs/dbraw/zinc/18/38/70/557183870.db2.gz KBLYCXJXXLAYQN-UHFFFAOYSA-N 0 0 442.239 4.012 50 0 IIAARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c(C)c1 ZINC000024977732 557184873 /nfs/dbraw/zinc/18/48/73/557184873.db2.gz UCWKOBYLNZAOFG-MRXNPFEDSA-N 0 0 438.553 4.423 50 0 IIAARN COc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000784407 557184916 /nfs/dbraw/zinc/18/49/16/557184916.db2.gz QAQOTRYAENPKDT-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1C ZINC000009302384 557185502 /nfs/dbraw/zinc/18/55/02/557185502.db2.gz KCHSZBGYZISQPK-UHFFFAOYSA-N 0 0 445.614 4.112 50 0 IIAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1S[C@@H](C)c1nc(C)no1 ZINC000024982645 557185584 /nfs/dbraw/zinc/18/55/84/557185584.db2.gz XIVQUZWJLFYTSP-NSHDSACASA-N 0 0 446.529 4.455 50 0 IIAARN O=C1CCCN1c1ccc(C2=N/C(=C/c3ccc(F)c(Br)c3)C(=O)O2)cc1 ZINC000097998225 557187860 /nfs/dbraw/zinc/18/78/60/557187860.db2.gz LYYRDLYWZBJHBD-GZTJUZNOSA-N 0 0 429.245 4.060 50 0 IIAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(C)c3n2C)cc1 ZINC000100821256 557187943 /nfs/dbraw/zinc/18/79/43/557187943.db2.gz HSUBZJUKJQYLKQ-GHVJWSGMSA-N 0 0 445.610 4.100 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c(C)c1 ZINC000025040304 557190042 /nfs/dbraw/zinc/19/00/42/557190042.db2.gz VXAOGGHXHOSDLK-YADHBBJMSA-N 0 0 447.579 4.062 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2CC(C)C)cc1OC ZINC000009699355 557191466 /nfs/dbraw/zinc/19/14/66/557191466.db2.gz XKXQPJAAXOSLSY-UHFFFAOYSA-N 0 0 447.586 4.114 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000100865641 557194789 /nfs/dbraw/zinc/19/47/89/557194789.db2.gz GLDJGQKHZDOVER-ONTIZHBOSA-N 0 0 437.503 4.098 50 0 IIAARN COc1ccccc1Nc1nc(N)nc(CSCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000025090535 557195193 /nfs/dbraw/zinc/19/51/93/557195193.db2.gz DNOUALNTMBLQFE-UHFFFAOYSA-N 0 0 438.488 4.434 50 0 IIAARN O=C(Cc1csc(Cc2ccccc2)n1)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000025150818 557196875 /nfs/dbraw/zinc/19/68/75/557196875.db2.gz YIEQIPBLAYBIDT-UHFFFAOYSA-N 0 0 431.517 4.438 50 0 IIAARN CC(C)N(C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)C1CCCCC1 ZINC000072235799 557200451 /nfs/dbraw/zinc/20/04/51/557200451.db2.gz PASYPZIGKKDBOC-HXUWFJFHSA-N 0 0 449.665 4.109 50 0 IIAARN Cc1sc2nc([C@H](C)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc(N)c2c1C ZINC000025265097 557201776 /nfs/dbraw/zinc/20/17/76/557201776.db2.gz KBCMDXNRJKFCSV-LBPRGKRZSA-N 0 0 436.507 4.187 50 0 IIAARN O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000011582283 557205108 /nfs/dbraw/zinc/20/51/08/557205108.db2.gz MVJCCVOQPBPKER-UHFFFAOYSA-N 0 0 438.531 4.194 50 0 IIAARN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000169677541 557209599 /nfs/dbraw/zinc/20/95/99/557209599.db2.gz XLTOOFJABUFGKE-QUCCMNQESA-N 0 0 437.893 4.362 50 0 IIAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4c5ccccc5C[C@@H]4C)cc3C2=O)cc1 ZINC000025470185 557211807 /nfs/dbraw/zinc/21/18/07/557211807.db2.gz VTPCIFVCBLORIW-INIZCTEOSA-N 0 0 426.472 4.477 50 0 IIAARN COc1cc(C)c(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1OC ZINC000025535263 557213464 /nfs/dbraw/zinc/21/34/64/557213464.db2.gz INKPLVMJQCWMEI-UHFFFAOYSA-N 0 0 432.933 4.286 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccccc2C(F)(F)F)ccc1OC ZINC000011622628 557214958 /nfs/dbraw/zinc/21/49/58/557214958.db2.gz ZNPXBYRWJFMZFF-UHFFFAOYSA-N 0 0 445.459 4.102 50 0 IIAARN CNC(=O)c1cccc(CNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)c1 ZINC000025564949 557215118 /nfs/dbraw/zinc/21/51/18/557215118.db2.gz KILHIKGAMWJSGP-UHFFFAOYSA-N 0 0 442.494 4.276 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)c12 ZINC000025658167 557220710 /nfs/dbraw/zinc/22/07/10/557220710.db2.gz JTTBHQPOSJWCJN-UHFFFAOYSA-N 0 0 448.454 4.057 50 0 IIAARN CCOc1ccc(OCCNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1 ZINC000010999608 557221632 /nfs/dbraw/zinc/22/16/32/557221632.db2.gz BUEWHGZBKRGCRS-UHFFFAOYSA-N 0 0 445.519 4.429 50 0 IIAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(Cc4ccco4)c(=N)c32)cc1OC ZINC000101075752 557225769 /nfs/dbraw/zinc/22/57/69/557225769.db2.gz DYUPIQFGYZQMGK-NRFANRHFSA-N 0 0 431.448 4.013 50 0 IIAARN Cc1sc2nc(-c3ccccc3)nc(N(CCO)CCOCC(F)(F)F)c2c1C ZINC000072301690 557226261 /nfs/dbraw/zinc/22/62/61/557226261.db2.gz KFCALIKYGHBPST-UHFFFAOYSA-N 0 0 425.476 4.353 50 0 IIAARN Cc1cc2occ(CC(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)c2cc1C(C)C ZINC000025816480 557227463 /nfs/dbraw/zinc/22/74/63/557227463.db2.gz MYVYRZRVYLSRAH-GOSISDBHSA-N 0 0 429.538 4.216 50 0 IIAARN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000072303655 557229648 /nfs/dbraw/zinc/22/96/48/557229648.db2.gz RXCDLVQZIYVDIG-ZDUSSCGKSA-N 0 0 427.892 4.411 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011612637 557229935 /nfs/dbraw/zinc/22/99/35/557229935.db2.gz OAXYXYIPKLVGGU-MRXNPFEDSA-N 0 0 442.459 4.157 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1 ZINC000025970633 557231358 /nfs/dbraw/zinc/23/13/58/557231358.db2.gz PGVKQGNKMPHRSQ-SFHVURJKSA-N 0 0 430.595 4.127 50 0 IIAARN COc1cc(OC)cc(C(=O)N[C@@H]2CCc3[nH]c4ccc(Br)cc4c3C2)c1 ZINC000023319207 557231579 /nfs/dbraw/zinc/23/15/79/557231579.db2.gz NHAPZZFRHPEIRU-CQSZACIVSA-N 0 0 429.314 4.235 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1OCC ZINC000011693503 557232625 /nfs/dbraw/zinc/23/26/25/557232625.db2.gz SCGQDEVUIKUFHJ-UHFFFAOYSA-N 0 0 432.480 4.455 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000018101277 557236704 /nfs/dbraw/zinc/23/67/04/557236704.db2.gz RJMNYYGBCXEPKN-SMIHKQSGSA-N 0 0 444.487 4.150 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1 ZINC000032950616 557237474 /nfs/dbraw/zinc/23/74/74/557237474.db2.gz CJXYQGRHNFCFBZ-UHFFFAOYSA-N 0 0 426.586 4.218 50 0 IIAARN CC1CCC(NC(=O)c2cccc(Nc3nn4c(nc5ccccc5c4=O)s3)c2)CC1 ZINC000032951246 557242872 /nfs/dbraw/zinc/24/28/72/557242872.db2.gz SMLPHBCXSICLAN-UHFFFAOYSA-N 0 0 433.537 4.356 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(Nc3nn4c(nc5ccccc5c4=O)s3)cc2)cc1 ZINC000032951223 557242914 /nfs/dbraw/zinc/24/29/14/557242914.db2.gz YSXCZAYLCFOEST-UHFFFAOYSA-N 0 0 441.516 4.286 50 0 IIAARN O=C(c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c[nH]1)N1CCCC1 ZINC000026536027 557243803 /nfs/dbraw/zinc/24/38/03/557243803.db2.gz AENSESFEKGTUAK-UHFFFAOYSA-N 0 0 445.928 4.497 50 0 IIAARN COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000026688558 557246757 /nfs/dbraw/zinc/24/67/57/557246757.db2.gz ZGDFMXGOJJJXBJ-HRNYAPDYSA-N 0 0 441.487 4.091 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1 ZINC000026688525 557246816 /nfs/dbraw/zinc/24/68/16/557246816.db2.gz BFZPQVCTEKNBLK-GOSISDBHSA-N 0 0 435.505 4.143 50 0 IIAARN COc1ccc([C@@H](NC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)C(C)C)cc1OC ZINC000604404572 557247488 /nfs/dbraw/zinc/24/74/88/557247488.db2.gz PTRHPYFNDLYHMR-JPYJTQIMSA-N 0 0 428.529 4.405 50 0 biogenic IIAARN O=C(Nc1cccc(C2SCCS2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000018216788 557252648 /nfs/dbraw/zinc/25/26/48/557252648.db2.gz NZZMYGVKZRBBGN-UHFFFAOYSA-N 0 0 439.562 4.053 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390829287 557252983 /nfs/dbraw/zinc/25/29/83/557252983.db2.gz DHRDUPXKWVZKRQ-AUUYWEPGSA-N 0 0 442.364 4.149 50 0 IIAARN CCc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c23)cc1 ZINC000000812695 557253461 /nfs/dbraw/zinc/25/34/61/557253461.db2.gz CQABNAKJIHWVPH-UHFFFAOYSA-N 0 0 449.532 4.343 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000027017349 557254289 /nfs/dbraw/zinc/25/42/89/557254289.db2.gz NGHYOKFSKTUHIW-QGZVFWFLSA-N 0 0 425.897 4.398 50 0 IIAARN CC(C)c1ccc([C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C(C)C)cc1 ZINC000018281269 557254808 /nfs/dbraw/zinc/25/48/08/557254808.db2.gz FODGUJJURLPVDK-OZXSUGGESA-N 0 0 433.552 4.017 50 0 IIAARN CC(C)c1ccc([C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C(C)C)cc1 ZINC000018281263 557254882 /nfs/dbraw/zinc/25/48/82/557254882.db2.gz FODGUJJURLPVDK-JYFHCDHNSA-N 0 0 433.552 4.017 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000027063576 557256195 /nfs/dbraw/zinc/25/61/95/557256195.db2.gz FTXSDJBEEGRCQH-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000027063543 557256228 /nfs/dbraw/zinc/25/62/28/557256228.db2.gz STFKMZHZNCXALU-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c2ccccc2nc(=O)n1Cc1ccco1 ZINC000101113982 557256337 /nfs/dbraw/zinc/25/63/37/557256337.db2.gz RSWAYAGOCKGKLE-XIEYBQDHSA-N 0 0 429.263 4.411 50 0 IIAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1OC ZINC000101148779 557262474 /nfs/dbraw/zinc/26/24/74/557262474.db2.gz OLZRSSHGJOSZME-QHCPKHFHSA-N 0 0 441.487 4.420 50 0 IIAARN CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4cc(OC)ccc4OC)C3=O)sc2c1 ZINC000100608324 557265931 /nfs/dbraw/zinc/26/59/31/557265931.db2.gz JSAMORIAQNDZPL-GOSISDBHSA-N 0 0 444.534 4.136 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccccc2)c1 ZINC000013003264 557267997 /nfs/dbraw/zinc/26/79/97/557267997.db2.gz PULZONSRGRSVBN-UHFFFAOYSA-N 0 0 438.549 4.053 50 0 IIAARN COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829939 557272625 /nfs/dbraw/zinc/27/26/25/557272625.db2.gz PRYGEZCCDGWPHW-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN CCCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)c1 ZINC000027748952 557273202 /nfs/dbraw/zinc/27/32/02/557273202.db2.gz NBAPYHBAWMGRHE-UHFFFAOYSA-N 0 0 449.529 4.082 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)cc1 ZINC000022975503 557275436 /nfs/dbraw/zinc/27/54/36/557275436.db2.gz IDVSZGRFHGGEBK-UHFFFAOYSA-N 0 0 446.554 4.113 50 0 IIAARN O=C1C[C@@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100801292 557276437 /nfs/dbraw/zinc/27/64/37/557276437.db2.gz IEPWKIPEWCZFLR-GOSISDBHSA-N 0 0 438.742 4.101 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000101068785 557282325 /nfs/dbraw/zinc/28/23/25/557282325.db2.gz RJIOZXWIVXOWGE-QZTJIDSGSA-N 0 0 426.266 4.124 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101391117 557283117 /nfs/dbraw/zinc/28/31/17/557283117.db2.gz BRUGQMCBHYECOY-LJQANCHMSA-N 0 0 431.945 4.004 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccc3)N2[C@@H]1c1ccccc1C ZINC000101390874 557283138 /nfs/dbraw/zinc/28/31/38/557283138.db2.gz RMZYLKAZLLZJRE-HSZRJFAPSA-N 0 0 447.560 4.449 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000101160244 557283823 /nfs/dbraw/zinc/28/38/23/557283823.db2.gz BYIRPHVDXMIYCL-SFHVURJKSA-N 0 0 432.929 4.133 50 0 IIAARN COc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000101160266 557283854 /nfs/dbraw/zinc/28/38/54/557283854.db2.gz RYKYHHIHZBBNMA-SFHVURJKSA-N 0 0 432.929 4.051 50 0 IIAARN COC(=O)c1cc(=O)n(CC23CC4CC(CC(C4)C2)C3)/c(=N/c2ccc(F)cc2)s1 ZINC000101487856 557288038 /nfs/dbraw/zinc/28/80/38/557288038.db2.gz NZMFCAZJGMPMQR-LVWGJNHUSA-N 0 0 428.529 4.284 50 0 IIAARN Cc1cc(C)cc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629059 557291798 /nfs/dbraw/zinc/29/17/98/557291798.db2.gz YSZSCEWZAULDHA-OYRHEFFESA-N 0 0 440.565 4.088 50 0 IIAARN CCOc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=Nc2ncnn21 ZINC000101641618 557292155 /nfs/dbraw/zinc/29/21/55/557292155.db2.gz QHKQEAQYOXXICC-KRWDZBQOSA-N 0 0 444.276 4.337 50 0 IIAARN COc1ccc(OCC(=O)Nc2nc(C)c(-c3nc(-c4ccc(F)cc4)no3)s2)cc1 ZINC000031815438 557293981 /nfs/dbraw/zinc/29/39/81/557293981.db2.gz OWUIJMDJNUNVNR-UHFFFAOYSA-N 0 0 440.456 4.334 50 0 IIAARN Cc1ccc(CN(C(=O)CC(C)C)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101809434 557299153 /nfs/dbraw/zinc/29/91/53/557299153.db2.gz UTLCRHDDTMPJPZ-UHFFFAOYSA-N 0 0 443.551 4.205 50 0 IIAARN COc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828302 557299651 /nfs/dbraw/zinc/29/96/51/557299651.db2.gz WXQMTBRPMUPTJK-INIZCTEOSA-N 0 0 438.487 4.318 50 0 IIAARN O=C(NCc1ccc(F)cc1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828693 557300078 /nfs/dbraw/zinc/30/00/78/557300078.db2.gz PECSQRIIACXDCE-UHFFFAOYSA-N 0 0 430.414 4.027 50 0 IIAARN C[C@@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828362 557300214 /nfs/dbraw/zinc/30/02/14/557300214.db2.gz VTIUAOVDFLWHTN-OAHLLOKOSA-N 0 0 426.451 4.449 50 0 IIAARN CCc1ccc(CN(C(=O)c2ccccc2Cl)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877905 557304318 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IIAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000101948350 557308831 /nfs/dbraw/zinc/30/88/31/557308831.db2.gz NWFHVPJMISQNEJ-UHFFFAOYSA-N 0 0 433.489 4.031 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 ZINC000103121196 557312937 /nfs/dbraw/zinc/31/29/37/557312937.db2.gz GZRIXSLKERGLNO-BSLALVQMSA-N 0 0 433.504 4.269 50 0 IIAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCCOC(C)C)cc3)n2)o1 ZINC000023327349 557313503 /nfs/dbraw/zinc/31/35/03/557313503.db2.gz NLYJDGDVZVZBDD-UHFFFAOYSA-N 0 0 425.533 4.073 50 0 IIAARN CCn1c(SCCn2c3ccccc3oc2=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000032777087 557315923 /nfs/dbraw/zinc/31/59/23/557315923.db2.gz MYPMBHNBWRRPPQ-ZDUSSCGKSA-N 0 0 441.578 4.303 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c(C)c1 ZINC000102288925 557317801 /nfs/dbraw/zinc/31/78/01/557317801.db2.gz AOFKQUNWWSNRQL-PMACEKPBSA-N 0 0 440.565 4.088 50 0 IIAARN CN([C@@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1ccc(F)cc1Br 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RIKHWKVOGRJOCG-OAHLLOKOSA-N 0 0 434.244 4.401 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000102872880 557395864 /nfs/dbraw/zinc/39/58/64/557395864.db2.gz IAMAPSZJPUDCCM-GMAHTHKFSA-N 0 0 437.496 4.440 50 0 IIAARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N([C@H](C)CC)C2=O)cc1OC ZINC000033447081 557398638 /nfs/dbraw/zinc/39/86/38/557398638.db2.gz BYSLMYCIIZISHR-PDICVPPASA-N 0 0 427.906 4.125 50 0 IIAARN O=C(/C=C\c1ccccc1Cl)NC(=S)Nc1ccccc1C(=O)N1CCCCC1 ZINC000033566767 557411606 /nfs/dbraw/zinc/41/16/06/557411606.db2.gz FLBDZJZAPXEZJO-SEYXRHQNSA-N 0 0 427.957 4.493 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(C(C)C)cc2)c(OC)c1 ZINC000004954779 557415234 /nfs/dbraw/zinc/41/52/34/557415234.db2.gz BZAWANXDJFNIBX-OAQYLSRUSA-N 0 0 425.554 4.259 50 0 IIAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000103002150 557415425 /nfs/dbraw/zinc/41/54/25/557415425.db2.gz VVFHDWANIRGYLB-KDURUIRLSA-N 0 0 428.410 4.262 50 0 IIAARN CS(=O)(=O)NCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000014103495 557424405 /nfs/dbraw/zinc/42/44/05/557424405.db2.gz SMHKSPCSIBCYJR-UHFFFAOYSA-N 0 0 429.592 4.102 50 0 IIAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000103603376 557439828 /nfs/dbraw/zinc/43/98/28/557439828.db2.gz IBBRZQKLSSKKBT-ZSDLXVEASA-N 0 0 436.552 4.342 50 0 IIAARN Cc1ccc(C(=O)N/C(=C/C2=Cc3ccccc3O[C@H]2C)C(=O)NCc2cccnc2)cc1 ZINC000103640488 557440442 /nfs/dbraw/zinc/44/04/42/557440442.db2.gz HICXIJXVEJHKJH-WWJLXRQJSA-N 0 0 439.515 4.185 50 0 IIAARN Cc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c(Br)c1 ZINC000097943922 557453669 /nfs/dbraw/zinc/45/36/69/557453669.db2.gz DKQKYLVQTJYYEL-KRWDZBQOSA-N 0 0 431.265 4.012 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014790099 557455749 /nfs/dbraw/zinc/45/57/49/557455749.db2.gz KGTJBFJGWZTSCI-UHFFFAOYSA-N 0 0 440.487 4.118 50 0 IIAARN CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005723712 557459875 /nfs/dbraw/zinc/45/98/75/557459875.db2.gz PXMGRYNNBNVZGO-MMFLGKIMSA-N 0 0 430.585 4.408 50 0 IIAARN O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCCCC1)c1ccc(Br)o1 ZINC000104879195 557463362 /nfs/dbraw/zinc/46/33/62/557463362.db2.gz OEELOIOGWNDKGB-NRHDHWSESA-N 0 0 429.314 4.382 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000051316147 557464130 /nfs/dbraw/zinc/46/41/30/557464130.db2.gz RPKOKHHWUWRKNA-UHFFFAOYSA-N 0 0 427.504 4.025 50 0 IIAARN Cc1c(C(=O)NCc2ccc(F)c(Cl)c2)nnn1-c1ccc(Br)c(C)c1 ZINC000051317908 557469557 /nfs/dbraw/zinc/46/95/57/557469557.db2.gz MATMREUCLOQICW-UHFFFAOYSA-N 0 0 437.700 4.369 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)cc1 ZINC000051317955 557469568 /nfs/dbraw/zinc/46/95/68/557469568.db2.gz BIYUTGCZDGOTCY-CYBMUJFWSA-N 0 0 429.318 4.146 50 0 IIAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000051319420 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IIAARN Cc1cc(=O)oc2ccc(OCC(=O)NC3(c4ccc(Br)cc4)CCC3)cc12 ZINC000084072303 568791468 /nfs/dbraw/zinc/79/14/68/568791468.db2.gz FRWDDMHWRSOFPX-UHFFFAOYSA-N 0 0 442.309 4.438 50 0 IIAARN Cc1[nH]c2c(cccc2F)c1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000001423175 568793639 /nfs/dbraw/zinc/79/36/39/568793639.db2.gz WVASHTRQOJJJRO-CVEARBPZSA-N 0 0 428.426 4.186 50 0 IIAARN C[C@@H](Oc1ccc(I)cc1)C(=O)NCc1ccc(-n2cccc2)cc1 ZINC000001426630 568793979 /nfs/dbraw/zinc/79/39/79/568793979.db2.gz AGYXBWRGQVCVRH-OAHLLOKOSA-N 0 0 446.288 4.166 50 0 IIAARN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H](Cc3ccccc3F)c3ccccc3)cc2s1 ZINC000001428848 568794144 /nfs/dbraw/zinc/79/41/44/568794144.db2.gz CNCPMBYXAZZVJQ-KRWDZBQOSA-N 0 0 442.537 4.034 50 0 IIAARN CCSc1nnc2n1-c1nnc(SCC)n1-c1sc3c(c1-2)C[C@@H](C(C)C)OC3 ZINC000001428218 568794145 /nfs/dbraw/zinc/79/41/45/568794145.db2.gz FHQSRSRGUSBXII-NSHDSACASA-N 0 0 434.616 4.211 50 0 IIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3ccc4ccccc4c3)CC2)c1C ZINC000084218831 568796330 /nfs/dbraw/zinc/79/63/30/568796330.db2.gz HGJDYKWUUDPIEI-UHFFFAOYSA-N 0 0 429.564 4.172 50 0 IIAARN CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CN1CCCc2cc(Br)ccc21 ZINC000084325653 568797037 /nfs/dbraw/zinc/79/70/37/568797037.db2.gz KBOJNKVIRMTADZ-GOSISDBHSA-N 0 0 445.405 4.347 50 0 IIAARN Cn1c(=O)[nH]c2cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)ccc21 ZINC000084311042 568797042 /nfs/dbraw/zinc/79/70/42/568797042.db2.gz IWMJTBFFZYWKRA-UHFFFAOYSA-N 0 0 433.320 4.473 50 0 IIAARN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(N2CCCC2)nn1 ZINC000084363784 568797387 /nfs/dbraw/zinc/79/73/87/568797387.db2.gz VBDFTFVZQUJFFD-UHFFFAOYSA-N 0 0 440.301 4.279 50 0 IIAARN O=S(=O)(c1c[nH]c2ncccc12)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000084372687 568797625 /nfs/dbraw/zinc/79/76/25/568797625.db2.gz LWEJLPWMUIOAON-GOSISDBHSA-N 0 0 425.489 4.008 50 0 IIAARN CC[C@@H](SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1 ZINC000084718754 568800350 /nfs/dbraw/zinc/80/03/50/568800350.db2.gz CONQNDWKACCTIH-OAHLLOKOSA-N 0 0 427.320 4.167 50 0 IIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000015670339 568802273 /nfs/dbraw/zinc/80/22/73/568802273.db2.gz SEHKVFYQJLQRCF-HXUWFJFHSA-N 0 0 440.507 4.294 50 0 IIAARN CCOc1ccccc1CNC(=O)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671812 568802953 /nfs/dbraw/zinc/80/29/53/568802953.db2.gz FNBXEFQUDJRHFV-UHFFFAOYSA-N 0 0 425.558 4.038 50 0 IIAARN COCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015677046 568804367 /nfs/dbraw/zinc/80/43/67/568804367.db2.gz XFPOZOAWZORQJS-VWLOTQADSA-N 0 0 425.573 4.121 50 0 IIAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)CS4)cc2)CC1 ZINC000015731211 568814569 /nfs/dbraw/zinc/81/45/69/568814569.db2.gz NPWVBXQAOLOALE-INIZCTEOSA-N 0 0 445.610 4.404 50 0 IIAARN COc1cc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc(OC)c1 ZINC000015733346 568815687 /nfs/dbraw/zinc/81/56/87/568815687.db2.gz WMPKFLYCBUUNAS-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CCN(CCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1cccc(C)c1 ZINC000015734915 568816461 /nfs/dbraw/zinc/81/64/61/568816461.db2.gz NRRVPKLHDCDQNX-UHFFFAOYSA-N 0 0 449.624 4.373 50 0 IIAARN COC(=O)/C=C(\Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)OC ZINC000085389598 568816541 /nfs/dbraw/zinc/81/65/41/568816541.db2.gz XBYNBSLZSVGGEF-ZSOIEALJSA-N 0 0 431.750 4.155 50 0 IIAARN Cc1noc(NCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085391999 568816630 /nfs/dbraw/zinc/81/66/30/568816630.db2.gz RDGREWLOSPOISE-UHFFFAOYSA-N 0 0 435.358 4.475 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)c1OC ZINC000015769804 568822295 /nfs/dbraw/zinc/82/22/95/568822295.db2.gz WIKYDCJHOBPQAI-UHFFFAOYSA-N 0 0 427.551 4.334 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)c1 ZINC000015769840 568822308 /nfs/dbraw/zinc/82/23/08/568822308.db2.gz KDZLOGNCTDKGKO-UHFFFAOYSA-N 0 0 427.551 4.334 50 0 IIAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])c1OC ZINC000015776891 568823603 /nfs/dbraw/zinc/82/36/03/568823603.db2.gz JUYTZCZUKHYCNZ-UHFFFAOYSA-N 0 0 426.488 4.298 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(OC(C)C)cc2)c2ccco2)cc1 ZINC000015781103 568825557 /nfs/dbraw/zinc/82/55/57/568825557.db2.gz APEMMBQSRKNOFF-QFIPXVFZSA-N 0 0 443.521 4.020 50 0 IIAARN Cc1[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598157 568827653 /nfs/dbraw/zinc/82/76/53/568827653.db2.gz FGYMYBSYSHEFLW-UHFFFAOYSA-N 0 0 443.491 4.467 50 0 IIAARN CCOc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CC2)cc1 ZINC000026053302 568827940 /nfs/dbraw/zinc/82/79/40/568827940.db2.gz FESZPYKOJSOKSM-UHFFFAOYSA-N 0 0 445.563 4.226 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)cc1 ZINC000085644227 568829205 /nfs/dbraw/zinc/82/92/05/568829205.db2.gz YGPBQTPJXIPRLS-UHFFFAOYSA-N 0 0 428.441 4.259 50 0 IIAARN Cc1ccc2nc(NC(=O)CN3C(=O)CCc4cc(Br)ccc43)sc2c1 ZINC000015785385 568829642 /nfs/dbraw/zinc/82/96/42/568829642.db2.gz UPGIZJLNWKZSJP-UHFFFAOYSA-N 0 0 430.327 4.285 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000085649964 568831254 /nfs/dbraw/zinc/83/12/54/568831254.db2.gz WSVWELUCSAMTCJ-UHFFFAOYSA-N 0 0 433.961 4.111 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)NC[C@@H]2CCCO2)c1C ZINC000085711952 568835336 /nfs/dbraw/zinc/83/53/36/568835336.db2.gz JQVXANOMYGSQPO-FQEVSTJZSA-N 0 0 427.545 4.007 50 0 IIAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc4c(c3)OCCO4)c21 ZINC000085876912 568838592 /nfs/dbraw/zinc/83/85/92/568838592.db2.gz HCLGKMXCNVLIQH-SFHVURJKSA-N 0 0 432.476 4.379 50 0 biogenic IIAARN C[C@@H](CCc1ccco1)NC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015821481 568839863 /nfs/dbraw/zinc/83/98/63/568839863.db2.gz FOGSEDRKQODBRL-HNNXBMFYSA-N 0 0 428.920 4.337 50 0 IIAARN COc1ccc(CN2CC=CC[C@H](c3ccccc3I)C2=O)cc1 ZINC000043214693 568843126 /nfs/dbraw/zinc/84/31/26/568843126.db2.gz UXLLLRVQCXBILC-GOSISDBHSA-N 0 0 433.289 4.372 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006146799 568846238 /nfs/dbraw/zinc/84/62/38/568846238.db2.gz GFTQVDWTSZRZGP-UHFFFAOYSA-N 0 0 436.867 4.349 50 0 IIAARN CCOc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 ZINC000015864381 568849767 /nfs/dbraw/zinc/84/97/67/568849767.db2.gz WJPGJEYXAOUYKU-UHFFFAOYSA-N 0 0 443.547 4.316 50 0 IIAARN COc1cccc(CNC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000015880667 568854200 /nfs/dbraw/zinc/85/42/00/568854200.db2.gz ORYKLFNCBKRPSP-UHFFFAOYSA-N 0 0 430.917 4.308 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1 ZINC000015881001 568854492 /nfs/dbraw/zinc/85/44/92/568854492.db2.gz RUIFWNSRYRKOHK-UHFFFAOYSA-N 0 0 446.326 4.348 50 0 IIAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(=O)OCC)cc2)o1 ZINC000015881456 568855401 /nfs/dbraw/zinc/85/54/01/568855401.db2.gz TZLZAIXOLWZHEP-UHFFFAOYSA-N 0 0 432.480 4.459 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)c1 ZINC000015881044 568855504 /nfs/dbraw/zinc/85/55/04/568855504.db2.gz HBYIJGHFUWDUGR-UHFFFAOYSA-N 0 0 449.891 4.386 50 0 IIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000101797605 568856495 /nfs/dbraw/zinc/85/64/95/568856495.db2.gz LMTLHHAPBWMCRS-ZVDOUQERSA-N 0 0 425.492 4.014 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C ZINC000015882219 568856812 /nfs/dbraw/zinc/85/68/12/568856812.db2.gz SNKYNDAIUNVACT-UHFFFAOYSA-N 0 0 438.553 4.252 50 0 IIAARN COc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c(OC)c1 ZINC000015882813 568857406 /nfs/dbraw/zinc/85/74/06/568857406.db2.gz UCPSJAOAOQURIJ-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883367 568857639 /nfs/dbraw/zinc/85/76/39/568857639.db2.gz JSDJOVKELJRJRR-UHFFFAOYSA-N 0 0 440.478 4.038 50 0 IIAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1Cl ZINC000015911697 568858642 /nfs/dbraw/zinc/85/86/42/568858642.db2.gz ULMGBCSJNOWKQU-UHFFFAOYSA-N 0 0 435.863 4.372 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1C(F)(F)F ZINC000016013259 568862855 /nfs/dbraw/zinc/86/28/55/568862855.db2.gz KZPBRQCPAHVVED-UHFFFAOYSA-N 0 0 429.236 4.487 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)COc1cccc2c1ccn2CCOC)c1nc2ccccc2[nH]1 ZINC000575443053 568868369 /nfs/dbraw/zinc/86/83/69/568868369.db2.gz FHXIVKGWHFKBNE-BXKMTCNYSA-N 0 0 434.540 4.446 50 0 IIAARN Cc1sc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc1-c1ccc(Cl)cc1 ZINC000012940012 568868492 /nfs/dbraw/zinc/86/84/92/568868492.db2.gz IAKZESREDROFQM-UHFFFAOYSA-N 0 0 426.933 4.398 50 0 IIAARN Cc1ccc(N2C(=S)N[C@H](c3ccccc3OC(F)F)C(C(=O)N(C)C)=C2C)cc1 ZINC000016055031 568869531 /nfs/dbraw/zinc/86/95/31/568869531.db2.gz BZHOBJNQBHUXTH-LJQANCHMSA-N 0 0 431.508 4.394 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCCO4)c2oc1-c1ccccc1 ZINC000012940446 568869829 /nfs/dbraw/zinc/86/98/29/568869829.db2.gz ZJPGRDGLMXBGRD-UHFFFAOYSA-N 0 0 427.456 4.470 50 0 IIAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1ccc(F)cc1F ZINC000012947677 568871421 /nfs/dbraw/zinc/87/14/21/568871421.db2.gz ZAEUTTCXLMVVBA-UHFFFAOYSA-N 0 0 436.513 4.500 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000012949286 568871786 /nfs/dbraw/zinc/87/17/86/568871786.db2.gz WFMHPJLEHCVDLS-UHFFFAOYSA-N 0 0 445.853 4.180 50 0 IIAARN CN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000016175680 568872143 /nfs/dbraw/zinc/87/21/43/568872143.db2.gz LPICIHLLIRPXDM-UHFFFAOYSA-N 0 0 439.943 4.317 50 0 IIAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000575613548 568879802 /nfs/dbraw/zinc/87/98/02/568879802.db2.gz SYABRLNLLOAKCT-HHHXNRCGSA-N 0 0 429.516 4.355 50 0 IIAARN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cccc(Oc2ccc(F)cc2)c1 ZINC000575616738 568881693 /nfs/dbraw/zinc/88/16/93/568881693.db2.gz MIYRMDRQLGNPJN-AWEZNQCLSA-N 0 0 434.393 4.264 50 0 IIAARN O=C(c1cc(-c2cccs2)on1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575618894 568882576 /nfs/dbraw/zinc/88/25/76/568882576.db2.gz XDXQBJALWVYFDO-GOSISDBHSA-N 0 0 436.942 4.059 50 0 IIAARN O=C(Cc1ccccc1Br)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000035478052 568882654 /nfs/dbraw/zinc/88/26/54/568882654.db2.gz ZQSCNEPUYSKCCN-UHFFFAOYSA-N 0 0 426.314 4.448 50 0 IIAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1ccc(Br)cc1 ZINC000009451993 568883414 /nfs/dbraw/zinc/88/34/14/568883414.db2.gz RUDFKGROTJIKAV-XCVCLJGOSA-N 0 0 426.213 4.246 50 0 IIAARN O=C(CSc1c(Cl)cccc1Cl)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010238769 568884239 /nfs/dbraw/zinc/88/42/39/568884239.db2.gz ZPYWOOUUUXEEBG-CQSZACIVSA-N 0 0 430.378 4.306 50 0 IIAARN O=C(Nc1nc2c(s1)CN(C(=O)C1(c3cccs3)CCCC1)CC2)c1ccoc1 ZINC000090582653 568888296 /nfs/dbraw/zinc/88/82/96/568888296.db2.gz MSVSGOUFQZNRIG-UHFFFAOYSA-N 0 0 427.551 4.447 50 0 IIAARN O=C(Cn1cnc2ccccc21)N1CCN(c2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000090594434 568889154 /nfs/dbraw/zinc/88/91/54/568889154.db2.gz ASHXAYBZZLXVRC-UHFFFAOYSA-N 0 0 445.470 4.014 50 0 IIAARN COc1ccccc1-c1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1N ZINC000012972600 568889414 /nfs/dbraw/zinc/88/94/14/568889414.db2.gz NLRXNPGQIPKZDE-FQEVSTJZSA-N 0 0 449.511 4.279 50 0 IIAARN COc1cccc2cc(C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)c(=O)oc21 ZINC000090607143 568889691 /nfs/dbraw/zinc/88/96/91/568889691.db2.gz BZMRWYGXGWMVKH-UHFFFAOYSA-N 0 0 444.491 4.105 50 0 IIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006346730 568893094 /nfs/dbraw/zinc/89/30/94/568893094.db2.gz UXMVMRXIGDREGT-UHFFFAOYSA-N 0 0 442.566 4.022 50 0 IIAARN O=C(/C=C/c1ccc(Br)s1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032721593 568895835 /nfs/dbraw/zinc/89/58/35/568895835.db2.gz KVGORWKBEDGQHV-SOFGYWHQSA-N 0 0 447.335 4.490 50 0 IIAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000032815407 568896031 /nfs/dbraw/zinc/89/60/31/568896031.db2.gz VCFUCTWVAYGLKT-DEOSSOPVSA-N 0 0 428.517 4.478 50 0 IIAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)/C=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000096398806 568899075 /nfs/dbraw/zinc/89/90/75/568899075.db2.gz NJBHJJNFGCMTSX-UZHIMRIFSA-N 0 0 442.924 4.215 50 0 IIAARN CC(C)Cn1c(CCC(N)=O)nnc1SCc1nc2ccccc2c(-c2ccccc2)n1 ZINC000013009955 568899738 /nfs/dbraw/zinc/89/97/38/568899738.db2.gz HSZHTJWTQFFRLI-UHFFFAOYSA-N 0 0 446.580 4.255 50 0 IIAARN CCCNC(=O)[C@@H](C)SC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000013010529 568899932 /nfs/dbraw/zinc/89/99/32/568899932.db2.gz XEZVRUGJKMOMTI-KAECEXQPSA-N 0 0 447.944 4.333 50 0 IIAARN COC(=O)c1ccccc1NC=C1c2ccccc2C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000103005426 568900729 /nfs/dbraw/zinc/90/07/29/568900729.db2.gz MZCOTCUUNDPDDV-PXLXIMEGSA-N 0 0 442.471 4.117 50 0 IIAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000013014764 568901400 /nfs/dbraw/zinc/90/14/00/568901400.db2.gz PDBWPPDXKANTJC-UHFFFAOYSA-N 0 0 430.426 4.169 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c1C ZINC000013022741 568902566 /nfs/dbraw/zinc/90/25/66/568902566.db2.gz NPIXOCNWGDFZHH-UHFFFAOYSA-N 0 0 442.625 4.070 50 0 IIAARN C[C@H](C(=O)OCc1ccccc1Cl)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001785079 568907383 /nfs/dbraw/zinc/90/73/83/568907383.db2.gz ABRZDQHLWMCPFF-CYBMUJFWSA-N 0 0 425.897 4.478 50 0 IIAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000001789882 568907790 /nfs/dbraw/zinc/90/77/90/568907790.db2.gz RGNHMTVYWPOLLD-UHFFFAOYSA-N 0 0 443.411 4.035 50 0 IIAARN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000245312812 568914835 /nfs/dbraw/zinc/91/48/35/568914835.db2.gz XLXRUPRQLVRUSF-KJNZLNQQSA-N 0 0 433.581 4.494 50 0 IIAARN CNC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000001821177 568915861 /nfs/dbraw/zinc/91/58/61/568915861.db2.gz JFEMWNKCBBOTBF-AQTBWJFISA-N 0 0 425.282 4.226 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3ccccc3Cl)[C@H]2C1=O ZINC000248259785 568919096 /nfs/dbraw/zinc/91/90/96/568919096.db2.gz VVJOFZYHVPYVJR-XSDIEEQYSA-N 0 0 434.923 4.207 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064370100 568920067 /nfs/dbraw/zinc/92/00/67/568920067.db2.gz LGLXAVOQPRQWIN-UHFFFAOYSA-N 0 0 428.518 4.027 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000016531344 568920564 /nfs/dbraw/zinc/92/05/64/568920564.db2.gz 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COc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000064558048 568931865 /nfs/dbraw/zinc/93/18/65/568931865.db2.gz BNJIJADQBUXVBV-OAQYLSRUSA-N 0 0 435.501 4.022 50 0 IIAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064558142 568932154 /nfs/dbraw/zinc/93/21/54/568932154.db2.gz AWTLCDGOOXGDFA-FQEVSTJZSA-N 0 0 441.455 4.292 50 0 IIAARN COc1cccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1 ZINC000064565858 568932672 /nfs/dbraw/zinc/93/26/72/568932672.db2.gz KVKSJDXSDSFVLL-UHFFFAOYSA-N 0 0 440.931 4.389 50 0 IIAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035945950 568933164 /nfs/dbraw/zinc/93/31/64/568933164.db2.gz LZDNBDWDTLBZHD-OAQYLSRUSA-N 0 0 426.948 4.376 50 0 IIAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccn23)cc1 ZINC000064593908 568936219 /nfs/dbraw/zinc/93/62/19/568936219.db2.gz BUGQTUMTNGFHCT-UHFFFAOYSA-N 0 0 448.548 4.377 50 0 IIAARN Cc1sc(NC(=O)c2ncc(C(N)=O)cc2Cl)nc1-c1ccc(OC(F)F)cc1 ZINC000089556195 568937326 /nfs/dbraw/zinc/93/73/26/568937326.db2.gz RKTKRICJLSRIIR-UHFFFAOYSA-N 0 0 438.843 4.120 50 0 IIAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689890 568938301 /nfs/dbraw/zinc/93/83/01/568938301.db2.gz XGXWBHOESXAVGW-UHFFFAOYSA-N 0 0 434.371 4.126 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)c3ccccc3)c2=O)cc1 ZINC000064605129 568939084 /nfs/dbraw/zinc/93/90/84/568939084.db2.gz NVRAFDUTPWGMQO-UHFFFAOYSA-N 0 0 438.487 4.110 50 0 IIAARN COc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000027025257 568939263 /nfs/dbraw/zinc/93/92/63/568939263.db2.gz RMKYNCOPZGCFPR-HXUWFJFHSA-N 0 0 449.894 4.345 50 0 IIAARN CCc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605340 568939410 /nfs/dbraw/zinc/93/94/10/568939410.db2.gz SCFKNHDWRSOAFE-UHFFFAOYSA-N 0 0 432.524 4.014 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605349 568939434 /nfs/dbraw/zinc/93/94/34/568939434.db2.gz IYZGNJABYWJXIJ-UHFFFAOYSA-N 0 0 446.551 4.323 50 0 IIAARN COc1cc(C(=O)Nc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc(OC)c1OC ZINC000004808910 568940265 /nfs/dbraw/zinc/94/02/65/568940265.db2.gz KPBWXBSOBVVWTG-HZPDHXFCSA-N 0 0 426.513 4.368 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 ZINC000064656899 568942326 /nfs/dbraw/zinc/94/23/26/568942326.db2.gz XTBABJSQFTZZSE-CQSZACIVSA-N 0 0 435.473 4.342 50 0 IIAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)n2C)n1 ZINC000064668230 568943150 /nfs/dbraw/zinc/94/31/50/568943150.db2.gz JHUNHXYYOVSTPR-UHFFFAOYSA-N 0 0 444.351 4.468 50 0 IIAARN COc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1 ZINC000064664231 568943677 /nfs/dbraw/zinc/94/36/77/568943677.db2.gz XTHKGGFVOHCJPC-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN CCN1c2cc(C(=O)NCc3cc(OC)ccc3OC)ccc2Oc2ccccc2C1=O ZINC000064677332 568943940 /nfs/dbraw/zinc/94/39/40/568943940.db2.gz VEFAOVSNRINVKY-UHFFFAOYSA-N 0 0 432.476 4.406 50 0 IIAARN COc1ccccc1N1CCN(c2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)CC1 ZINC000064690612 568944143 /nfs/dbraw/zinc/94/41/43/568944143.db2.gz AEMINODVDTXHDM-UHFFFAOYSA-N 0 0 434.540 4.147 50 0 IIAARN CC(C)Cn1c(SCC(=O)NCc2ccccc2)nc2c3cccnc3sc2c1=O ZINC000064699775 568944391 /nfs/dbraw/zinc/94/43/91/568944391.db2.gz KOUATAVIOSADSR-UHFFFAOYSA-N 0 0 438.578 4.071 50 0 IIAARN CC(C)Cn1c(SCC(=O)NC2CCCCC2)nc2c3cccnc3sc2c1=O ZINC000064699776 568944393 /nfs/dbraw/zinc/94/43/93/568944393.db2.gz RWODAQCCWFCZNA-UHFFFAOYSA-N 0 0 430.599 4.203 50 0 IIAARN O=C(NCc1cccnc1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068591 568945347 /nfs/dbraw/zinc/94/53/47/568945347.db2.gz CBLNOTMXSDVYPB-UHFFFAOYSA-N 0 0 448.473 4.480 50 0 IIAARN CC[C@H](C)NC(=O)c1cccc(Nc2c(Oc3ccc(C)cc3OC)cnn(C)c2=O)c1 ZINC000036073188 568945716 /nfs/dbraw/zinc/94/57/16/568945716.db2.gz UBIDLLOWRMDANZ-INIZCTEOSA-N 0 0 436.512 4.162 50 0 IIAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)Cc2ccccc2)c1 ZINC000036073739 568946357 /nfs/dbraw/zinc/94/63/57/568946357.db2.gz FHMAFPOPTQEDIR-HSZRJFAPSA-N 0 0 433.552 4.403 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000036076916 568946616 /nfs/dbraw/zinc/94/66/16/568946616.db2.gz VNFVBPTUZULWBW-OYRUNEAGSA-N 0 0 434.536 4.403 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083440 568947046 /nfs/dbraw/zinc/94/70/46/568947046.db2.gz VEOSFDXVJPQSEX-HXUWFJFHSA-N 0 0 432.879 4.462 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000036083507 568947220 /nfs/dbraw/zinc/94/72/20/568947220.db2.gz YBKCYQXIXHGMKH-HXUWFJFHSA-N 0 0 430.501 4.140 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083888 568947634 /nfs/dbraw/zinc/94/76/34/568947634.db2.gz ZIZXLACICBFMHJ-OAQYLSRUSA-N 0 0 444.915 4.331 50 0 IIAARN O=C(Cn1cc(-c2ccccc2)c(N2CCSCC2)n1)NCc1ccc(F)c(Cl)c1 ZINC000064747933 568950632 /nfs/dbraw/zinc/95/06/32/568950632.db2.gz VDEQKNFKEIUCBH-UHFFFAOYSA-N 0 0 444.963 4.212 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000064757393 568951588 /nfs/dbraw/zinc/95/15/88/568951588.db2.gz ODYPGTACZJFJFP-HXUWFJFHSA-N 0 0 438.547 4.117 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095750 568951623 /nfs/dbraw/zinc/95/16/23/568951623.db2.gz NETLASIGWPMSRP-LJQANCHMSA-N 0 0 431.916 4.392 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)[C@H](C)CC ZINC000036117273 568955603 /nfs/dbraw/zinc/95/56/03/568955603.db2.gz QFABDECVPQTHTA-DYESRHJHSA-N 0 0 444.597 4.299 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)C(C)C ZINC000036117404 568955796 /nfs/dbraw/zinc/95/57/96/568955796.db2.gz MPAJBBLQYCTOJU-OAQYLSRUSA-N 0 0 444.597 4.156 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C1CC1 ZINC000036118695 568955926 /nfs/dbraw/zinc/95/59/26/568955926.db2.gz ONDHWKMHLSSLFH-HXUWFJFHSA-N 0 0 426.582 4.271 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1ccco1 ZINC000036119554 568956777 /nfs/dbraw/zinc/95/67/77/568956777.db2.gz HSZZIBDWSAITAD-FQEVSTJZSA-N 0 0 438.549 4.398 50 0 IIAARN Cc1ccc2cc(-c3noc(CCC(=O)Nc4cccc(C(F)(F)F)c4)n3)c(=O)[nH]c2c1 ZINC000064789891 568956970 /nfs/dbraw/zinc/95/69/70/568956970.db2.gz YRRBBLBKEWHKPM-UHFFFAOYSA-N 0 0 442.397 4.477 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036120184 568957200 /nfs/dbraw/zinc/95/72/00/568957200.db2.gz ZDEODAKTWLXALN-OAQYLSRUSA-N 0 0 426.582 4.210 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)[C@@H](C)CC ZINC000036120860 568957672 /nfs/dbraw/zinc/95/76/72/568957672.db2.gz JOFPRKIIJMAYII-OXJNMPFZSA-N 0 0 432.561 4.429 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(C)C ZINC000036122645 568958136 /nfs/dbraw/zinc/95/81/36/568958136.db2.gz LGHJJWFGBJPOLE-HXUWFJFHSA-N 0 0 429.586 4.081 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@@H](C)CC ZINC000036122821 568958316 /nfs/dbraw/zinc/95/83/16/568958316.db2.gz LFHZPZWZDCOVQM-GHTZIAJQSA-N 0 0 443.613 4.391 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)[C@H](C)CC ZINC000036122818 568958405 /nfs/dbraw/zinc/95/84/05/568958405.db2.gz LFHZPZWZDCOVQM-NQIIRXRSSA-N 0 0 443.613 4.391 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)NC(C)(C)C ZINC000036123194 568958521 /nfs/dbraw/zinc/95/85/21/568958521.db2.gz HNWAQLQGEIUEFY-LJQANCHMSA-N 0 0 447.576 4.222 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)N3CCCC[C@H]3C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791572 568959047 /nfs/dbraw/zinc/95/90/47/568959047.db2.gz BTAAVSWXMNAMHL-QGZVFWFLSA-N 0 0 427.512 4.253 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cccc(C)c2C)c1C ZINC000064792268 568959281 /nfs/dbraw/zinc/95/92/81/568959281.db2.gz JEMFYVKTBGJECH-UHFFFAOYSA-N 0 0 429.524 4.074 50 0 IIAARN CCc1ccccc1NC(=O)CCc1c(C)n(CC)c2nc(-c3ccccc3)nn2c1=O ZINC000064792273 568959308 /nfs/dbraw/zinc/95/93/08/568959308.db2.gz QTERHGQNPBYUFY-UHFFFAOYSA-N 0 0 429.524 4.020 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCCCCC1 ZINC000064792879 568959564 /nfs/dbraw/zinc/95/95/64/568959564.db2.gz XPYLBKUSJIUQKR-QFIPXVFZSA-N 0 0 448.958 4.180 50 0 IIAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(C)c3)c3nnnn32)cc1 ZINC000064793105 568959624 /nfs/dbraw/zinc/95/96/24/568959624.db2.gz UVVMUPVXQNMYQB-XMMPIXPASA-N 0 0 436.519 4.379 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCCCC2)cc1 ZINC000064793289 568959632 /nfs/dbraw/zinc/95/96/32/568959632.db2.gz OKPLQPLVKFTDMB-DEOSSOPVSA-N 0 0 442.567 4.143 50 0 IIAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064798645 568960612 /nfs/dbraw/zinc/96/06/12/568960612.db2.gz SLHRHWXYDGPCSM-KRWDZBQOSA-N 0 0 441.530 4.150 50 0 IIAARN Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCOCC2)n1 ZINC000064801087 568960722 /nfs/dbraw/zinc/96/07/22/568960722.db2.gz UVOCVBAFQDWJHR-UHFFFAOYSA-N 0 0 441.894 4.410 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064801824 568961440 /nfs/dbraw/zinc/96/14/40/568961440.db2.gz BTIKDCWLNZPSMA-UHFFFAOYSA-N 0 0 437.569 4.492 50 0 IIAARN COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146953 568962748 /nfs/dbraw/zinc/96/27/48/568962748.db2.gz HUUSDDMAXNKQPA-OZXSUGGESA-N 0 0 446.547 4.130 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1ccccc1 ZINC000036155451 568964763 /nfs/dbraw/zinc/96/47/63/568964763.db2.gz DEEQBTHQBVSWJL-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN COc1cccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)c1 ZINC000064819375 568966219 /nfs/dbraw/zinc/96/62/19/568966219.db2.gz CYWMAMJWISLIBM-UHFFFAOYSA-N 0 0 440.503 4.247 50 0 IIAARN CCOc1cc(CNC(=O)c2c(C)onc2-c2cccnc2)cc(OCC)c1OCC ZINC000064820012 568966737 /nfs/dbraw/zinc/96/67/37/568966737.db2.gz AXEPCUZMTZTVPT-UHFFFAOYSA-N 0 0 425.485 4.171 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000064835808 568968988 /nfs/dbraw/zinc/96/89/88/568968988.db2.gz YXPRJAWNFRGYKV-UHFFFAOYSA-N 0 0 439.581 4.082 50 0 IIAARN COC(=O)c1ccc(NC(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 ZINC000064835305 568969486 /nfs/dbraw/zinc/96/94/86/568969486.db2.gz RCHPIEZGDUTBDY-UHFFFAOYSA-N 0 0 429.480 4.015 50 0 IIAARN COc1cc(OC)c(NC(=O)N(C)CCc2noc(-c3ccc(F)cc3)n2)cc1Cl ZINC000064840191 568969651 /nfs/dbraw/zinc/96/96/51/568969651.db2.gz XEAFFGGHMSWYHL-UHFFFAOYSA-N 0 0 434.855 4.253 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1F)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842374 568970801 /nfs/dbraw/zinc/97/08/01/568970801.db2.gz QAFLJYHDCAWSTD-GOSISDBHSA-N 0 0 436.443 4.097 50 0 IIAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c1 ZINC000064844419 568971796 /nfs/dbraw/zinc/97/17/96/568971796.db2.gz IZURRLGFMFAVBN-QGZVFWFLSA-N 0 0 434.515 4.385 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)c2)on1 ZINC000064865992 568974246 /nfs/dbraw/zinc/97/42/46/568974246.db2.gz HHHJKHZGTQLFRA-UHFFFAOYSA-N 0 0 432.929 4.092 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N(C)c1cccc(C)c1 ZINC000064866989 568974801 /nfs/dbraw/zinc/97/48/01/568974801.db2.gz VLZYSHQAEMCNOS-UHFFFAOYSA-N 0 0 442.537 4.102 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3c4ccccc4C[C@H]3C)c2)c1C ZINC000064867302 568975134 /nfs/dbraw/zinc/97/51/34/568975134.db2.gz UPNIYUZLYJWTIF-MRXNPFEDSA-N 0 0 438.549 4.408 50 0 IIAARN COc1ccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247464 568982233 /nfs/dbraw/zinc/98/22/33/568982233.db2.gz CAXZPQPTJVQYEP-UHFFFAOYSA-N 0 0 443.521 4.117 50 0 IIAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cc(OC)cc(OC)c2)c1 ZINC000036248059 568982623 /nfs/dbraw/zinc/98/26/23/568982623.db2.gz DGMHELXCHVLQCU-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN CCCN(C)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036250759 568984290 /nfs/dbraw/zinc/98/42/90/568984290.db2.gz NYWLKWARCGDUGP-HXUWFJFHSA-N 0 0 440.415 4.178 50 0 IIAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000036253811 568984466 /nfs/dbraw/zinc/98/44/66/568984466.db2.gz HYHOIQLDGCSSQY-NSHDSACASA-N 0 0 429.548 4.358 50 0 IIAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCC3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255132 568984923 /nfs/dbraw/zinc/98/49/23/568984923.db2.gz QOJPGYSLYULDQB-XMMPIXPASA-N 0 0 425.617 4.008 50 0 IIAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924641 568986225 /nfs/dbraw/zinc/98/62/25/568986225.db2.gz WNBMKUCSDXQZHM-UHFFFAOYSA-N 0 0 446.555 4.043 50 0 IIAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000064924429 568986249 /nfs/dbraw/zinc/98/62/49/568986249.db2.gz YGITXLSBFTWRPV-UHFFFAOYSA-N 0 0 438.963 4.412 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928809 568987821 /nfs/dbraw/zinc/98/78/21/568987821.db2.gz JSAPTSLHVDYAIM-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930020 568988475 /nfs/dbraw/zinc/98/84/75/568988475.db2.gz SUQQZDBVRQLBRM-GOSISDBHSA-N 0 0 440.500 4.306 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)c2c(F)cccc2F)s1 ZINC000064930028 568988496 /nfs/dbraw/zinc/98/84/96/568988496.db2.gz PTLWIGVGQRZVSZ-OAHLLOKOSA-N 0 0 432.427 4.185 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)NCCc2ccccc2)s1 ZINC000064930412 568988947 /nfs/dbraw/zinc/98/89/47/568988947.db2.gz KDAKBBHYYCWMOT-GOSISDBHSA-N 0 0 439.516 4.019 50 0 IIAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C[C@@H](O)COCC(C)C)C1 ZINC000169677971 568990405 /nfs/dbraw/zinc/99/04/05/568990405.db2.gz DMRYSLFNTGJWCI-YADHBBJMSA-N 0 0 446.538 4.302 50 0 IIAARN COc1cccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4F)cc32)c1 ZINC000169681170 568991718 /nfs/dbraw/zinc/99/17/18/568991718.db2.gz LXOBNOJMJUFVKC-UHFFFAOYSA-N 0 0 442.450 4.098 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681202 568992763 /nfs/dbraw/zinc/99/27/63/568992763.db2.gz GXICMUFFEVQHPT-UHFFFAOYSA-N 0 0 448.404 4.367 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)c1 ZINC000064945080 568993347 /nfs/dbraw/zinc/99/33/47/568993347.db2.gz ZRGXBFKCYZLQHH-UHFFFAOYSA-N 0 0 444.944 4.490 50 0 IIAARN Cc1cccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(C(C)C)cc3)c2=O)c1 ZINC000064946516 568993653 /nfs/dbraw/zinc/99/36/53/568993653.db2.gz UIZSOAUFEJPRNM-UHFFFAOYSA-N 0 0 444.560 4.401 50 0 IIAARN CC(C)c1ccc(Cn2c3nn(Cc4ccccc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946517 568993672 /nfs/dbraw/zinc/99/36/72/568993672.db2.gz JDRALCKQOGNVIP-UHFFFAOYSA-N 0 0 430.533 4.092 50 0 IIAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303803 568994197 /nfs/dbraw/zinc/99/41/97/568994197.db2.gz JPCZBWIGXRBCEP-OAQYLSRUSA-N 0 0 439.556 4.201 50 0 IIAARN Cc1nnc2c(SCC(=O)Nc3ccc(Br)cc3)nc3ccccc3n12 ZINC000064948976 568994805 /nfs/dbraw/zinc/99/48/05/568994805.db2.gz ANLSICPQRWBGRT-UHFFFAOYSA-N 0 0 428.315 4.079 50 0 IIAARN CCc1cc(N(CC)CC)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000006802002 568995342 /nfs/dbraw/zinc/99/53/42/568995342.db2.gz MPPZPOHYQDXUET-HXUWFJFHSA-N 0 0 428.602 4.086 50 0 IIAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)nn1-c1ccc(Cl)cc1 ZINC000064949894 568995466 /nfs/dbraw/zinc/99/54/66/568995466.db2.gz KLWWYTGUOMLNAT-UHFFFAOYSA-N 0 0 444.834 4.485 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000036311213 568997131 /nfs/dbraw/zinc/99/71/31/568997131.db2.gz NRDGDGPHLFRKKO-QFIPXVFZSA-N 0 0 445.485 4.059 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3C[C@@H](C)CSc4ccccc43)cc21 ZINC000064952173 568997437 /nfs/dbraw/zinc/99/74/37/568997437.db2.gz GFCZUPPPEXILEO-OAHLLOKOSA-N 0 0 448.635 4.472 50 0 IIAARN Cc1cc(NC(=O)N2CCN(c3nc4cccnc4s3)CC2)ccc1Br ZINC000064955204 568998066 /nfs/dbraw/zinc/99/80/66/568998066.db2.gz KEVGESQMHZJYON-UHFFFAOYSA-N 0 0 432.347 4.116 50 0 IIAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)Cc2ccccc2)C(C)C)c1 ZINC000036314220 568998920 /nfs/dbraw/zinc/99/89/20/568998920.db2.gz SQQGTTMSONPSQU-UHFFFAOYSA-N 0 0 433.552 4.466 50 0 IIAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4c(C)cccc4C)c(=O)[nH]c3C2)cc1OC ZINC000064959234 568999644 /nfs/dbraw/zinc/99/96/44/568999644.db2.gz KUTYUVVFUWXDGH-KRWDZBQOSA-N 0 0 446.503 4.174 50 0 IIAARN CC(C)c1nc2ccc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)cc2o1 ZINC000064968394 569076119 /nfs/dbraw/zinc/07/61/19/569076119.db2.gz PNDMAROKYZHRKK-UHFFFAOYSA-N 0 0 426.948 4.157 50 0 IIAARN CCc1ccccc1NC(=O)[C@H](CC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970871 569076371 /nfs/dbraw/zinc/07/63/71/569076371.db2.gz QHCXJNZCNHSGGF-NRFANRHFSA-N 0 0 429.524 4.351 50 0 IIAARN CCc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000064972189 569076809 /nfs/dbraw/zinc/07/68/09/569076809.db2.gz NDILGMJDRLOOAS-XMMPIXPASA-N 0 0 434.561 4.312 50 0 IIAARN CCc1cccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000064977693 569077580 /nfs/dbraw/zinc/07/75/80/569077580.db2.gz NNXHIKPAFKVCNL-UHFFFAOYSA-N 0 0 428.536 4.451 50 0 IIAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)c1 ZINC000064977909 569077660 /nfs/dbraw/zinc/07/76/60/569077660.db2.gz SUCQNPSKOXSEGU-UHFFFAOYSA-N 0 0 444.878 4.256 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000036345519 569080717 /nfs/dbraw/zinc/08/07/17/569080717.db2.gz PVDXKFXJLMCSEA-VWLOTQADSA-N 0 0 442.563 4.084 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345779 569080790 /nfs/dbraw/zinc/08/07/90/569080790.db2.gz WEBFYYXFWJJPKM-DEOSSOPVSA-N 0 0 435.568 4.484 50 0 IIAARN COC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346366 569081199 /nfs/dbraw/zinc/08/11/99/569081199.db2.gz ASNSKYRWAUJFBQ-OAQYLSRUSA-N 0 0 425.504 4.084 50 0 IIAARN Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(Cl)c4)c3)nn12 ZINC000064983821 569081901 /nfs/dbraw/zinc/08/19/01/569081901.db2.gz OWLDGWGFEHVJAJ-UHFFFAOYSA-N 0 0 427.917 4.171 50 0 IIAARN CSc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 ZINC000064985368 569081903 /nfs/dbraw/zinc/08/19/03/569081903.db2.gz FPABLOGGBWDPTD-OAQYLSRUSA-N 0 0 440.546 4.004 50 0 IIAARN CCN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000064987174 569082361 /nfs/dbraw/zinc/08/23/61/569082361.db2.gz UVZHJHNCUNNGOV-UHFFFAOYSA-N 0 0 438.553 4.056 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986894 569082471 /nfs/dbraw/zinc/08/24/71/569082471.db2.gz NXHGXVIHMQMCFL-UHFFFAOYSA-N 0 0 438.553 4.474 50 0 IIAARN COc1ccccc1-c1nnc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C)CC3)c2)o1 ZINC000064987944 569082784 /nfs/dbraw/zinc/08/27/84/569082784.db2.gz VBJYFISIDVVKEI-UHFFFAOYSA-N 0 0 447.944 4.486 50 0 IIAARN CCOc1ccc(NC(=O)N2CCC(N3CCN(Cc4cccc(C)c4)C3=O)CC2)cc1 ZINC000064989035 569082917 /nfs/dbraw/zinc/08/29/17/569082917.db2.gz QKQILGNZTWHVLP-UHFFFAOYSA-N 0 0 436.556 4.328 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(N(C)C)c4)ccc3C[C@H]2C)cc1 ZINC000064990131 569083157 /nfs/dbraw/zinc/08/31/57/569083157.db2.gz PDSWVRIEWUBNHW-GOSISDBHSA-N 0 0 443.547 4.283 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccccc4OC)ccc3C[C@@H]2C)cc1 ZINC000064990225 569083268 /nfs/dbraw/zinc/08/32/68/569083268.db2.gz MGGOQMZYJHJODX-KRWDZBQOSA-N 0 0 430.504 4.225 50 0 biogenic IIAARN COC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990661 569083373 /nfs/dbraw/zinc/08/33/73/569083373.db2.gz VFILSENNASTUIV-QGZVFWFLSA-N 0 0 443.503 4.386 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1 ZINC000064999423 569085775 /nfs/dbraw/zinc/08/57/75/569085775.db2.gz ICGIDELNDMIPBJ-UHFFFAOYSA-N 0 0 426.307 4.354 50 0 IIAARN COc1ccc(F)cc1-c1cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)ncn1 ZINC000065008057 569087358 /nfs/dbraw/zinc/08/73/58/569087358.db2.gz RHVUWDZTWMJCKF-UHFFFAOYSA-N 0 0 435.503 4.262 50 0 IIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2cccnc2)CC1 ZINC000065006723 569087448 /nfs/dbraw/zinc/08/74/48/569087448.db2.gz XHJRKNLUGXSLOQ-QGZVFWFLSA-N 0 0 448.592 4.318 50 0 IIAARN COc1ccc(-c2ccc(Nc3ccc(Cl)cc3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009569 569087975 /nfs/dbraw/zinc/08/79/75/569087975.db2.gz JLMXNNGVZMDXCK-UHFFFAOYSA-N 0 0 444.944 4.334 50 0 IIAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 ZINC000065021073 569088653 /nfs/dbraw/zinc/08/86/53/569088653.db2.gz KUZNTHYTHGIMSJ-NRFANRHFSA-N 0 0 426.582 4.323 50 0 IIAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c(C)c1 ZINC000065020925 569088705 /nfs/dbraw/zinc/08/87/05/569088705.db2.gz XKISJDURGMMEDO-UHFFFAOYSA-N 0 0 429.586 4.286 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)c(OC)c1 ZINC000065023364 569089160 /nfs/dbraw/zinc/08/91/60/569089160.db2.gz AGLFPVFICPTYCT-IBGZPJMESA-N 0 0 432.524 4.324 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc(OC)c1 ZINC000065023524 569089383 /nfs/dbraw/zinc/08/93/83/569089383.db2.gz ZZLDJNBQKCKERV-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN O=C(CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)Nc1ccccc1 ZINC000065025949 569090852 /nfs/dbraw/zinc/09/08/52/569090852.db2.gz GVUDOTJEVDRZOX-UHFFFAOYSA-N 0 0 439.972 4.187 50 0 IIAARN COc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)c4cccc(F)c4)ccc3n2)cc1 ZINC000065034053 569091905 /nfs/dbraw/zinc/09/19/05/569091905.db2.gz OSMIPCGZDCJNMG-UHFFFAOYSA-N 0 0 445.450 4.166 50 0 IIAARN CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1 ZINC000065034563 569092049 /nfs/dbraw/zinc/09/20/49/569092049.db2.gz QTLRPZUSCUPFRC-UHFFFAOYSA-N 0 0 445.972 4.028 50 0 IIAARN O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169755579 569093518 /nfs/dbraw/zinc/09/35/18/569093518.db2.gz PZIWDSJRTSMMOC-GOSISDBHSA-N 0 0 443.320 4.377 50 0 IIAARN CCOc1ccc(C(=O)N2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1OCC ZINC000169755626 569093532 /nfs/dbraw/zinc/09/35/32/569093532.db2.gz GGVCTVJBIBHPGZ-UHFFFAOYSA-N 0 0 434.540 4.227 50 0 IIAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4c(F)cccc4Cl)C3)n[nH]2)cc1 ZINC000169753808 569093746 /nfs/dbraw/zinc/09/37/46/569093746.db2.gz SGUBBUAGMVIVHX-INIZCTEOSA-N 0 0 442.922 4.206 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754869 569093848 /nfs/dbraw/zinc/09/38/48/569093848.db2.gz SEXIBZYRKAQNHR-UHFFFAOYSA-N 0 0 434.721 4.016 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)CC2)c1 ZINC000169759582 569094044 /nfs/dbraw/zinc/09/40/44/569094044.db2.gz DWTZJNWEQSEVRR-HSZRJFAPSA-N 0 0 436.943 4.079 50 0 IIAARN Cc1cc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)ccc1F ZINC000169760357 569094537 /nfs/dbraw/zinc/09/45/37/569094537.db2.gz ZTUVOJBUFSPNJG-UHFFFAOYSA-N 0 0 430.483 4.123 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760266 569094595 /nfs/dbraw/zinc/09/45/95/569094595.db2.gz ZOHRBVZHQPJRLI-UHFFFAOYSA-N 0 0 432.911 4.329 50 0 IIAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc(Br)cc3)C2)c1 ZINC000065058304 569095511 /nfs/dbraw/zinc/09/55/11/569095511.db2.gz MKMBZYLKTDSTLV-JOCHJYFZSA-N 0 0 445.357 4.016 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1OC ZINC000065061104 569096294 /nfs/dbraw/zinc/09/62/94/569096294.db2.gz SWMSHGNALSINMT-UHFFFAOYSA-N 0 0 433.483 4.407 50 0 IIAARN CCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063352 569097837 /nfs/dbraw/zinc/09/78/37/569097837.db2.gz CLCAZEDGQSORNL-UHFFFAOYSA-N 0 0 443.500 4.344 50 0 IIAARN C[C@@H]1CCc2c(sc3ncnc(N4CCN(C(=O)N(C)Cc5ccccc5)CC4)c32)C1 ZINC000036395285 569098722 /nfs/dbraw/zinc/09/87/22/569098722.db2.gz WVMLCJWYWLDKSW-QGZVFWFLSA-N 0 0 435.597 4.190 50 0 IIAARN CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000065074555 569099023 /nfs/dbraw/zinc/09/90/23/569099023.db2.gz BGCYNUMTYQQHRV-UHFFFAOYSA-N 0 0 425.510 4.041 50 0 IIAARN COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(Cl)cc3OC)CC2)no1 ZINC000065077001 569100368 /nfs/dbraw/zinc/10/03/68/569100368.db2.gz BQJMMABZOGQHTA-UHFFFAOYSA-N 0 0 427.888 4.427 50 0 IIAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065077973 569100756 /nfs/dbraw/zinc/10/07/56/569100756.db2.gz WHXIURMFJQIAJR-HNNXBMFYSA-N 0 0 446.594 4.435 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N4CCC[C@H](C(=O)NC5CCCC5)C4)nc32)cc1 ZINC000065080564 569101028 /nfs/dbraw/zinc/10/10/28/569101028.db2.gz LBPCMWIWTFXHBR-INIZCTEOSA-N 0 0 439.585 4.074 50 0 IIAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(=O)NCc1ccccc1 ZINC000036398107 569101055 /nfs/dbraw/zinc/10/10/55/569101055.db2.gz PEWMFPLHKZOQBT-UHFFFAOYSA-N 0 0 446.334 4.198 50 0 IIAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000169774007 569102024 /nfs/dbraw/zinc/10/20/24/569102024.db2.gz AYUJPDINVOVRNU-KRWDZBQOSA-N 0 0 438.940 4.300 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NCc2ccccc2C)CO3)cc1 ZINC000065082716 569102434 /nfs/dbraw/zinc/10/24/34/569102434.db2.gz WPDMGCCYWVMMSR-OAQYLSRUSA-N 0 0 430.504 4.123 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)c1 ZINC000065085253 569102776 /nfs/dbraw/zinc/10/27/76/569102776.db2.gz OVNXXLDQEBJYML-UHFFFAOYSA-N 0 0 429.519 4.318 50 0 IIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000065084320 569102849 /nfs/dbraw/zinc/10/28/49/569102849.db2.gz MKBVWJQCCCGJJN-UHFFFAOYSA-N 0 0 435.955 4.338 50 0 IIAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(c2ccccc2)C2CCCCC2)C1=O ZINC000013114827 569102924 /nfs/dbraw/zinc/10/29/24/569102924.db2.gz NKRSJGLIJXMIET-MHZLTWQESA-N 0 0 445.563 4.308 50 0 IIAARN COc1ccc(CCc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)cc1 ZINC000169780689 569103142 /nfs/dbraw/zinc/10/31/42/569103142.db2.gz MIORBUNCAYOVDB-IBGZPJMESA-N 0 0 437.887 4.047 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2sc(N3CCCC3=O)nc2C(C)C)CC1 ZINC000065086401 569103294 /nfs/dbraw/zinc/10/32/94/569103294.db2.gz JKPXLFQTRXWJKX-UHFFFAOYSA-N 0 0 447.004 4.318 50 0 IIAARN COc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1 ZINC000065097901 569104127 /nfs/dbraw/zinc/10/41/27/569104127.db2.gz UTEMRDAAVYBKBV-UHFFFAOYSA-N 0 0 431.471 4.273 50 0 IIAARN O=S(=O)(NCc1ccc(F)cc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098100 569104579 /nfs/dbraw/zinc/10/45/79/569104579.db2.gz CZULAEGSJINBQS-UHFFFAOYSA-N 0 0 433.461 4.222 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C ZINC000065100004 569104928 /nfs/dbraw/zinc/10/49/28/569104928.db2.gz RHDUTNZTBIEGQI-UHFFFAOYSA-N 0 0 440.916 4.225 50 0 IIAARN 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/nfs/dbraw/zinc/10/80/16/569108016.db2.gz SRKIRLPHJYBPMQ-UHFFFAOYSA-N 0 0 447.944 4.275 50 0 IIAARN CSc1cccc(NC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1 ZINC000065118100 569108875 /nfs/dbraw/zinc/10/88/75/569108875.db2.gz GOEHUDNLJHWKGP-UHFFFAOYSA-N 0 0 438.557 4.331 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065133981 569110078 /nfs/dbraw/zinc/11/00/78/569110078.db2.gz OAYYQJBJDAYYQD-UHFFFAOYSA-N 0 0 445.397 4.260 50 0 IIAARN COc1cccc(N2CCN(C(=O)c3cc(NC(=O)C(C)C)cc4nc(C)ccc43)CC2)c1 ZINC000065136021 569110289 /nfs/dbraw/zinc/11/02/89/569110289.db2.gz ZHBXBFNGORBDTO-UHFFFAOYSA-N 0 0 446.551 4.109 50 0 IIAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000065136028 569110308 /nfs/dbraw/zinc/11/03/08/569110308.db2.gz GQHDMJYTTVRRDB-UHFFFAOYSA-N 0 0 434.515 4.239 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N1CCc3ccccc31)CC2 ZINC000036447709 569110793 /nfs/dbraw/zinc/11/07/93/569110793.db2.gz VLDUTPLNUVDIHN-HHHXNRCGSA-N 0 0 428.532 4.241 50 0 IIAARN COc1ccccc1-c1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3OC)C2)no1 ZINC000065149527 569110987 /nfs/dbraw/zinc/11/09/87/569110987.db2.gz DFRONTVAJHBOLW-CQSZACIVSA-N 0 0 427.888 4.427 50 0 IIAARN CC(C)Cn1cc(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000065163348 569112435 /nfs/dbraw/zinc/11/24/35/569112435.db2.gz KVTYZXCFTZBBMV-UHFFFAOYSA-N 0 0 425.476 4.232 50 0 IIAARN CC(C)Cn1cc(CCNS(=O)(=O)c2ccc(Br)s2)c2cccnc21 ZINC000065163314 569112453 /nfs/dbraw/zinc/11/24/53/569112453.db2.gz ILGOMACYVGCUCJ-UHFFFAOYSA-N 0 0 442.404 4.037 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165668 569113129 /nfs/dbraw/zinc/11/31/29/569113129.db2.gz DEGKPHMPRKMVCZ-UHFFFAOYSA-N 0 0 426.567 4.328 50 0 IIAARN CC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2)c(N2CCCCC2)c1 ZINC000065165823 569113135 /nfs/dbraw/zinc/11/31/35/569113135.db2.gz DTIQREGSYGZGKZ-UHFFFAOYSA-N 0 0 430.346 4.328 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3cccc(Cl)c3)cccn12 ZINC000065185275 569114259 /nfs/dbraw/zinc/11/42/59/569114259.db2.gz KYSWFKPXJBFXBQ-UHFFFAOYSA-N 0 0 444.919 4.480 50 0 IIAARN O=C(Cc1cccc(F)c1)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178464 569114395 /nfs/dbraw/zinc/11/43/95/569114395.db2.gz FEBKDQKZWZZIPJ-NRFANRHFSA-N 0 0 438.543 4.312 50 0 IIAARN CCc1noc(-c2ccc(SCC(=O)Nc3ccc(F)cc3Br)nc2)n1 ZINC000065185730 569114617 /nfs/dbraw/zinc/11/46/17/569114617.db2.gz YQRBQROKRAWLJU-UHFFFAOYSA-N 0 0 437.294 4.326 50 0 IIAARN CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3Cl)c(C)n2CC)o1 ZINC000065186616 569114665 /nfs/dbraw/zinc/11/46/65/569114665.db2.gz YAEVTLRRQZUVMJ-UHFFFAOYSA-N 0 0 440.928 4.008 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1c(C)c(-c2nnc(C3CCC3)o2)n(C)c1C ZINC000065186574 569114783 /nfs/dbraw/zinc/11/47/83/569114783.db2.gz OIZMYCJWBCOIJW-UHFFFAOYSA-N 0 0 428.558 4.170 50 0 IIAARN COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199001 569115031 /nfs/dbraw/zinc/11/50/31/569115031.db2.gz SXDONYAYYOETBP-UHFFFAOYSA-N 0 0 442.928 4.095 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1)c1ccc(Br)o1 ZINC000065203049 569116012 /nfs/dbraw/zinc/11/60/12/569116012.db2.gz CEIHXLPXKWTEEF-HNNXBMFYSA-N 0 0 445.317 4.129 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)CC1 ZINC000065209759 569116437 /nfs/dbraw/zinc/11/64/37/569116437.db2.gz UGPQDSHKRZEXDP-UHFFFAOYSA-N 0 0 431.536 4.322 50 0 IIAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NCc2cc(F)ccc2F)cc1 ZINC000065210088 569116567 /nfs/dbraw/zinc/11/65/67/569116567.db2.gz ZNBQIDDNFGSOBP-UHFFFAOYSA-N 0 0 437.446 4.498 50 0 IIAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1ccc2c(c1)OCCO2 ZINC000065213052 569116922 /nfs/dbraw/zinc/11/69/22/569116922.db2.gz XSSNHXYFMPSCRB-UHFFFAOYSA-N 0 0 449.536 4.112 50 0 IIAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2cccc(Cl)c2)s1 ZINC000065217447 569117189 /nfs/dbraw/zinc/11/71/89/569117189.db2.gz QQXFXSHHCOAPGH-UHFFFAOYSA-N 0 0 446.985 4.293 50 0 IIAARN COc1ccc2c(cc(C(=O)N[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)C(C)C)n2C)c1 ZINC000036576138 569118504 /nfs/dbraw/zinc/11/85/04/569118504.db2.gz NCOPYFAUEKSCDA-OAQYLSRUSA-N 0 0 443.931 4.242 50 0 IIAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)oc2C)n1 ZINC000065232418 569118964 /nfs/dbraw/zinc/11/89/64/569118964.db2.gz AUXCUBFYHZTYSP-UHFFFAOYSA-N 0 0 430.464 4.493 50 0 IIAARN COc1ccc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)cc1Cl ZINC000065232981 569119129 /nfs/dbraw/zinc/11/91/29/569119129.db2.gz UYXRTWQTRAWVGW-UHFFFAOYSA-N 0 0 447.919 4.364 50 0 IIAARN C=C1C(N2CCCN(C(=O)CCC3CCCCC3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239293 569120342 /nfs/dbraw/zinc/12/03/42/569120342.db2.gz MNEFKJVYXZEFIU-UHFFFAOYSA-N 0 0 443.613 4.054 50 0 IIAARN Cn1cc(-c2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)c2cccnc21 ZINC000065241017 569120883 /nfs/dbraw/zinc/12/08/83/569120883.db2.gz DKGOLZTYRGDGCC-UHFFFAOYSA-N 0 0 437.956 4.313 50 0 IIAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000036601868 569121787 /nfs/dbraw/zinc/12/17/87/569121787.db2.gz SYSDVNYEPMBWJR-QGZVFWFLSA-N 0 0 436.295 4.046 50 0 IIAARN CC(C)(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(Cl)cc4)c3)nc2)n1 ZINC000065251139 569122153 /nfs/dbraw/zinc/12/21/53/569122153.db2.gz PODXIQVXDCQVOI-UHFFFAOYSA-N 0 0 436.903 4.198 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4cncn4)c(Cl)c3)c12 ZINC000036616056 569122584 /nfs/dbraw/zinc/12/25/84/569122584.db2.gz BLCOUMRAZUEUCF-UHFFFAOYSA-N 0 0 449.927 4.492 50 0 IIAARN Cc1ccc(CN2CCN(C(=O)c3cc(C)nc4c3cnn4-c3ccccc3F)CC2)cc1 ZINC000036615935 569122597 /nfs/dbraw/zinc/12/25/97/569122597.db2.gz MDDSVYMDIZHGGP-UHFFFAOYSA-N 0 0 443.526 4.134 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cccc(CN4CCOCC4)c3)c12 ZINC000036616757 569122848 /nfs/dbraw/zinc/12/28/48/569122848.db2.gz XJOHERGVPCVZMH-UHFFFAOYSA-N 0 0 441.535 4.122 50 0 IIAARN CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000036618471 569124364 /nfs/dbraw/zinc/12/43/64/569124364.db2.gz VYVZQNBPKXCOIW-UHFFFAOYSA-N 0 0 430.483 4.474 50 0 IIAARN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)Cc4cn(C)nc4C)c32)cc1 ZINC000036618952 569124557 /nfs/dbraw/zinc/12/45/57/569124557.db2.gz RYMHLOQOTMODCM-CQSZACIVSA-N 0 0 445.523 4.179 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c1 ZINC000065259984 569124942 /nfs/dbraw/zinc/12/49/42/569124942.db2.gz IBUODMYREZDAMN-AREMUKBSSA-N 0 0 448.567 4.367 50 0 IIAARN COc1ccc(CNC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065260149 569125004 /nfs/dbraw/zinc/12/50/04/569125004.db2.gz QGSXCLKXRBZVMI-VWLOTQADSA-N 0 0 435.572 4.283 50 0 IIAARN COc1ccccc1-n1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc2c1=O ZINC000013131079 569125387 /nfs/dbraw/zinc/12/53/87/569125387.db2.gz ODVZYDXSZJLVHA-IRXDYDNUSA-N 0 0 437.565 4.276 50 0 IIAARN COc1cc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000524731215 569126411 /nfs/dbraw/zinc/12/64/11/569126411.db2.gz OEOOKLCEBFPKDS-HSZRJFAPSA-N 0 0 445.519 4.212 50 0 biogenic IIAARN CSCC[C@H](NC(=O)c1cc(=O)c(OCc2ccccc2)co1)c1nc2ccccc2[nH]1 ZINC000524732355 569126696 /nfs/dbraw/zinc/12/66/96/569126696.db2.gz SMWPPWVSDFZKMP-IBGZPJMESA-N 0 0 449.532 4.319 50 0 IIAARN COc1ccc(CCNC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc1OC ZINC000524735522 569128154 /nfs/dbraw/zinc/12/81/54/569128154.db2.gz HUADFLXRTBBLDN-UHFFFAOYSA-N 0 0 427.476 4.116 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)c1 ZINC000065272983 569129231 /nfs/dbraw/zinc/12/92/31/569129231.db2.gz XTTYMHSYQTVPQG-HNNXBMFYSA-N 0 0 428.554 4.135 50 0 IIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(Cn2cncn2)cc1 ZINC000036644470 569130259 /nfs/dbraw/zinc/13/02/59/569130259.db2.gz KFUYKVREYUMJRX-UHFFFAOYSA-N 0 0 427.295 4.130 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000036649028 569130362 /nfs/dbraw/zinc/13/03/62/569130362.db2.gz ZDJDDBCDUIRWAT-WZONZLPQSA-N 0 0 442.581 4.236 50 0 IIAARN CC(C)Cn1c2ccccc2n2nc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2c1=O ZINC000065292395 569130751 /nfs/dbraw/zinc/13/07/51/569130751.db2.gz AYCVJTPKDSEHLX-FQEVSTJZSA-N 0 0 429.524 4.068 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3cccc(Cl)c3)sc12 ZINC000065294036 569131201 /nfs/dbraw/zinc/13/12/01/569131201.db2.gz YXLWOIBDRDQBIM-UHFFFAOYSA-N 0 0 425.945 4.196 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1ccn2c(c1)nnc2-c1cc(F)cc(F)c1 ZINC000065296524 569131620 /nfs/dbraw/zinc/13/16/20/569131620.db2.gz QNMSKBJDGQGUGU-UHFFFAOYSA-N 0 0 443.251 4.367 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)c4ccccc4Cl)CC3)sc12 ZINC000065297211 569131735 /nfs/dbraw/zinc/13/17/35/569131735.db2.gz WCQLABCPUSMXTL-UHFFFAOYSA-N 0 0 437.956 4.406 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)sc12 ZINC000065297149 569131736 /nfs/dbraw/zinc/13/17/36/569131736.db2.gz AHZSLBKXSRHJNI-UHFFFAOYSA-N 0 0 431.565 4.370 50 0 IIAARN COc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5ccccc5)CC4)nc32)cc1 ZINC000065299567 569132160 /nfs/dbraw/zinc/13/21/60/569132160.db2.gz MIUGBYMWSJDEAD-UHFFFAOYSA-N 0 0 447.564 4.198 50 0 IIAARN COCCNc1c(-c2cccc(C)c2)nc2sc(C(=O)NCc3ccccn3)c(C)n21 ZINC000065312159 569133641 /nfs/dbraw/zinc/13/36/41/569133641.db2.gz FSOKTRKKBIDZCW-UHFFFAOYSA-N 0 0 435.553 4.063 50 0 IIAARN CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)C1 ZINC000065315501 569134090 /nfs/dbraw/zinc/13/40/90/569134090.db2.gz PKPHVJKGOYXZCQ-GOSISDBHSA-N 0 0 437.544 4.273 50 0 IIAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000065315484 569134091 /nfs/dbraw/zinc/13/40/91/569134091.db2.gz RTKHQJNMXUODNY-QZTJIDSGSA-N 0 0 437.544 4.489 50 0 IIAARN O=C(c1cnn2ccc(C3CCN(C(=O)c4cccc(F)c4)CC3)cc12)N1CCCCC1 ZINC000065315687 569134190 /nfs/dbraw/zinc/13/41/90/569134190.db2.gz DOAATMUTWGNCOT-UHFFFAOYSA-N 0 0 434.515 4.119 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)cc1 ZINC000036705807 569134601 /nfs/dbraw/zinc/13/46/01/569134601.db2.gz XNDZPKLBTDWCQV-UHFFFAOYSA-N 0 0 434.525 4.078 50 0 IIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 ZINC000065320279 569136114 /nfs/dbraw/zinc/13/61/14/569136114.db2.gz KVRQENBJUFCERU-PZJWPPBQSA-N 0 0 430.508 4.070 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 ZINC000065320275 569136118 /nfs/dbraw/zinc/13/61/18/569136118.db2.gz KVRQENBJUFCERU-CTNGQTDRSA-N 0 0 430.508 4.070 50 0 IIAARN CCn1nccc1C(=O)Nc1c(-c2ccc(C)cc2)nc2sc(N3CCCCC3)nn21 ZINC000065320988 569136347 /nfs/dbraw/zinc/13/63/47/569136347.db2.gz QOCUKLXBYYUENC-UHFFFAOYSA-N 0 0 435.557 4.225 50 0 IIAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000065320845 569136349 /nfs/dbraw/zinc/13/63/49/569136349.db2.gz IKQAHAIEAOVEGE-FQEVSTJZSA-N 0 0 427.501 4.280 50 0 IIAARN Cn1cc(CN2CCN(C(=O)Nc3ccccc3Br)CC2)c2ccccc21 ZINC000065330056 569137090 /nfs/dbraw/zinc/13/70/90/569137090.db2.gz UNDHKQXFENYNBD-UHFFFAOYSA-N 0 0 427.346 4.291 50 0 IIAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(Cl)cc4)c(=O)n3n2)c1 ZINC000065502057 569138881 /nfs/dbraw/zinc/13/88/81/569138881.db2.gz HMKYBIKBMOOWET-UHFFFAOYSA-N 0 0 444.878 4.256 50 0 IIAARN COc1ccc(Br)c(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 ZINC000240002262 569140399 /nfs/dbraw/zinc/14/03/99/569140399.db2.gz PQNABTNNQJTICA-GOSISDBHSA-N 0 0 438.368 4.247 50 0 IIAARN Cc1c(Br)cc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c(=O)n1C ZINC000170596405 569141942 /nfs/dbraw/zinc/14/19/42/569141942.db2.gz JNKKKXAANGUUAX-UHFFFAOYSA-N 0 0 446.301 4.227 50 0 IIAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000170601389 569143119 /nfs/dbraw/zinc/14/31/19/569143119.db2.gz FBCQVUBJENOWBJ-APWZRJJASA-N 0 0 444.601 4.088 50 0 IIAARN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000170602352 569143291 /nfs/dbraw/zinc/14/32/91/569143291.db2.gz FJMHVUCZMILWDE-VNQPRFMTSA-N 0 0 428.451 4.157 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000170602842 569143436 /nfs/dbraw/zinc/14/34/36/569143436.db2.gz IZBTWPRTQOAMSH-UHFFFAOYSA-N 0 0 429.484 4.025 50 0 IIAARN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccnc(OC3CCC3)c1)CC2 ZINC000170611385 569145285 /nfs/dbraw/zinc/14/52/85/569145285.db2.gz PJHZDYVFGKUMCG-UHFFFAOYSA-N 0 0 429.561 4.266 50 0 IIAARN CCOc1cccc2cc([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(Cl)nc21 ZINC000170612476 569146040 /nfs/dbraw/zinc/14/60/40/569146040.db2.gz UROZAPGLIUSLAA-OAHLLOKOSA-N 0 0 435.958 4.459 50 0 IIAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNc2ccc(C(=O)NCCO)cc2)cc1 ZINC000170616131 569146897 /nfs/dbraw/zinc/14/68/97/569146897.db2.gz JTUKRNDPVISDBU-UHFFFAOYSA-N 0 0 444.510 4.321 50 0 IIAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNc2ccc(C(=O)NCCO)cc2)c1 ZINC000170616133 569146929 /nfs/dbraw/zinc/14/69/29/569146929.db2.gz NFNQXTUFALHGPR-UHFFFAOYSA-N 0 0 444.510 4.321 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccsc3)C2)c1 ZINC000170618412 569147015 /nfs/dbraw/zinc/14/70/15/569147015.db2.gz HOHCRYVLFAHDPR-HXUWFJFHSA-N 0 0 443.525 4.250 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3ccsc3)C2)cc1 ZINC000170618374 569147026 /nfs/dbraw/zinc/14/70/26/569147026.db2.gz VFGJOSMWTHNRCV-FQEVSTJZSA-N 0 0 443.525 4.250 50 0 IIAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000170623268 569148293 /nfs/dbraw/zinc/14/82/93/569148293.db2.gz OVWQHICOYDJQAJ-UHFFFAOYSA-N 0 0 426.542 4.084 50 0 IIAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1Cl ZINC000071011363 569149251 /nfs/dbraw/zinc/14/92/51/569149251.db2.gz KYGDQZDFHMZGHD-UHFFFAOYSA-N 0 0 440.931 4.100 50 0 IIAARN C[C@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc2F)C[C@H](C)O1 ZINC000071185696 569149427 /nfs/dbraw/zinc/14/94/27/569149427.db2.gz CSDSXJPELMVWBC-KBPBESRZSA-N 0 0 447.894 4.029 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc2F)C[C@H](C)O1 ZINC000071185695 569149436 /nfs/dbraw/zinc/14/94/36/569149436.db2.gz CSDSXJPELMVWBC-OKILXGFUSA-N 0 0 447.894 4.029 50 0 IIAARN C[C@@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2C1 ZINC000009882616 569149821 /nfs/dbraw/zinc/14/98/21/569149821.db2.gz VDUGVSVMKWSNMG-CQSZACIVSA-N 0 0 426.538 4.093 50 0 IIAARN CCCn1c(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)nc2ccccc21 ZINC000009884123 569150225 /nfs/dbraw/zinc/15/02/25/569150225.db2.gz YECDPMAYWBGXCJ-UHFFFAOYSA-N 0 0 436.541 4.075 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Br)c2)c1 ZINC000009955596 569151238 /nfs/dbraw/zinc/15/12/38/569151238.db2.gz SBNKWUXQIXDUBV-UHFFFAOYSA-N 0 0 445.766 4.385 50 0 IIAARN CCC(=O)N(c1nnc(SCc2cc3c(cc2Br)OCO3)s1)C1CC1 ZINC000009996045 569151438 /nfs/dbraw/zinc/15/14/38/569151438.db2.gz ZDIPEVUPDLTQFL-UHFFFAOYSA-N 0 0 442.360 4.227 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000010028739 569151784 /nfs/dbraw/zinc/15/17/84/569151784.db2.gz SJIGHXDAXUJHPK-UHFFFAOYSA-N 0 0 447.563 4.026 50 0 IIAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000010036928 569151913 /nfs/dbraw/zinc/15/19/13/569151913.db2.gz FXYVZTYHQZXAEI-UHFFFAOYSA-N 0 0 435.549 4.109 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000010219397 569153766 /nfs/dbraw/zinc/15/37/66/569153766.db2.gz SMEHISAKMNZMPW-UHFFFAOYSA-N 0 0 431.322 4.024 50 0 IIAARN O=c1nc(SCc2ccc(Br)cc2)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000010255583 569154070 /nfs/dbraw/zinc/15/40/70/569154070.db2.gz HAIQLIQFPXAWCH-MRXNPFEDSA-N 0 0 435.387 4.356 50 0 IIAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013295088 569154862 /nfs/dbraw/zinc/15/48/62/569154862.db2.gz BGUICRCMLNKSOV-HUUCEWRRSA-N 0 0 433.512 4.413 50 0 IIAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc32)cc1 ZINC000013349910 569155235 /nfs/dbraw/zinc/15/52/35/569155235.db2.gz ZQBHNCDBMGSQHU-UHFFFAOYSA-N 0 0 447.495 4.167 50 0 IIAARN Cc1sc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000013574929 569155799 /nfs/dbraw/zinc/15/57/99/569155799.db2.gz VEIMMFXAHBSEJT-UHFFFAOYSA-N 0 0 426.469 4.402 50 0 IIAARN Cc1cc(OCC(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc(C)c1Cl ZINC000013653101 569156428 /nfs/dbraw/zinc/15/64/28/569156428.db2.gz DEBRJRAENZNKDL-UHFFFAOYSA-N 0 0 429.879 4.127 50 0 IIAARN COc1ccc(-c2ccc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc2)nn1 ZINC000013613949 569156463 /nfs/dbraw/zinc/15/64/63/569156463.db2.gz GAPCYOKMVDLLIT-UHFFFAOYSA-N 0 0 439.471 4.401 50 0 IIAARN c1ccc(CO[C@@H]2[C@H]([C@@H]3COC4(CCCCC4)O3)O[C@H]3OC4(CCCCC4)O[C@@H]23)cc1 ZINC000250649163 569157299 /nfs/dbraw/zinc/15/72/99/569157299.db2.gz OAEPJJXLQXXGMV-HPAIXVDQSA-N 0 0 430.541 4.448 50 0 biogenic IIAARN O=C(Cc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000014625973 569159548 /nfs/dbraw/zinc/15/95/48/569159548.db2.gz HWLLCRPAPLAKOD-BOPFTXTBSA-N 0 0 435.332 4.389 50 0 IIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC000089589198 569159665 /nfs/dbraw/zinc/15/96/65/569159665.db2.gz FMHPZYKBCIXXLF-UHFFFAOYSA-N 0 0 438.578 4.263 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccnc3OCC(F)F)c2)cc1 ZINC000089629684 569160137 /nfs/dbraw/zinc/16/01/37/569160137.db2.gz LCWDCIUINBEKMC-UHFFFAOYSA-N 0 0 425.435 4.216 50 0 IIAARN Cc1ccc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccco1 ZINC000089646819 569160527 /nfs/dbraw/zinc/16/05/27/569160527.db2.gz HZJOMTAVHMSDKJ-GOSISDBHSA-N 0 0 432.398 4.323 50 0 IIAARN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1NS(C)(=O)=O ZINC000089646945 569160532 /nfs/dbraw/zinc/16/05/32/569160532.db2.gz GYKPZUFMQPIPDE-XMMPIXPASA-N 0 0 434.561 4.349 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000014654322 569160617 /nfs/dbraw/zinc/16/06/17/569160617.db2.gz LDDTUIPEILTXLV-ONNFQVAWSA-N 0 0 432.851 4.261 50 0 IIAARN COc1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662037 569160730 /nfs/dbraw/zinc/16/07/30/569160730.db2.gz RTPFTTKFXSIMNB-UXHICEINSA-N 0 0 442.560 4.499 50 0 IIAARN CC(=O)O[C@@H]1C[C@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000498049247 569161403 /nfs/dbraw/zinc/16/14/03/569161403.db2.gz DGPZKDQQKGWWSJ-IHWIZGRESA-N 0 0 432.557 4.354 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016818988 569162365 /nfs/dbraw/zinc/16/23/65/569162365.db2.gz VNVWKQZKJMHGSO-FQEVSTJZSA-N 0 0 447.354 4.053 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000016838830 569162899 /nfs/dbraw/zinc/16/28/99/569162899.db2.gz HUJPQBVRTNAMFZ-UHFFFAOYSA-N 0 0 438.553 4.333 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2c(C)cccc2C)c2ccc(F)cc2)cc1 ZINC000016839655 569162952 /nfs/dbraw/zinc/16/29/52/569162952.db2.gz ZFPLEMQDSYSZBI-QFIPXVFZSA-N 0 0 443.540 4.386 50 0 IIAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)NCc1ccc2c(c1)OCO2 ZINC000016841116 569163250 /nfs/dbraw/zinc/16/32/50/569163250.db2.gz ICBQIVZXRJSDLL-UHFFFAOYSA-N 0 0 447.310 4.241 50 0 IIAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)c(Cl)c4)c3=O)n2)cc1 ZINC000016843493 569163695 /nfs/dbraw/zinc/16/36/95/569163695.db2.gz YAOBWKVTEIGDSH-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN CNc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000016847075 569164082 /nfs/dbraw/zinc/16/40/82/569164082.db2.gz AKDDIVSLRULYCD-UHFFFAOYSA-N 0 0 445.527 4.295 50 0 IIAARN COc1ccc(-c2cn3c(CCC(=O)N4CCN(c5ccccc5)CC4)csc3n2)cc1 ZINC000016848802 569164390 /nfs/dbraw/zinc/16/43/90/569164390.db2.gz BSONRZMAVFQUQU-UHFFFAOYSA-N 0 0 446.576 4.353 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)C1 ZINC000016848868 569164444 /nfs/dbraw/zinc/16/44/44/569164444.db2.gz SBSYLQWPIZNOBT-INIZCTEOSA-N 0 0 445.972 4.451 50 0 IIAARN COc1ccc(NC(=O)Nc2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000016849086 569164576 /nfs/dbraw/zinc/16/45/76/569164576.db2.gz PMGNRWOTZMJDHM-UHFFFAOYSA-N 0 0 428.489 4.184 50 0 IIAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n(-c2nc3ccccc3s2)n1 ZINC000016851063 569164877 /nfs/dbraw/zinc/16/48/77/569164877.db2.gz LAWHUGCRMFJXLB-UHFFFAOYSA-N 0 0 440.550 4.225 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000016890495 569165423 /nfs/dbraw/zinc/16/54/23/569165423.db2.gz HYEAIFNOZYBOJK-UHFFFAOYSA-N 0 0 449.532 4.039 50 0 IIAARN COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000016891267 569165748 /nfs/dbraw/zinc/16/57/48/569165748.db2.gz GOBFYLIDZNMIAP-NTKDMRAZSA-N 0 0 435.593 4.439 50 0 IIAARN COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000016891273 569165760 /nfs/dbraw/zinc/16/57/60/569165760.db2.gz GOBFYLIDZNMIAP-DVECYGJZSA-N 0 0 435.593 4.439 50 0 IIAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000089858188 569165877 /nfs/dbraw/zinc/16/58/77/569165877.db2.gz JPJLZZSFOAINIP-DVECYGJZSA-N 0 0 432.549 4.174 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC000089866591 569166409 /nfs/dbraw/zinc/16/64/09/569166409.db2.gz RTZPKSPXHUGGEN-UHFFFAOYSA-N 0 0 433.527 4.032 50 0 IIAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000089893483 569166677 /nfs/dbraw/zinc/16/66/77/569166677.db2.gz WJGZWDLFWJNWCG-QPPBQGQZSA-N 0 0 440.588 4.232 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c1 ZINC000016943186 569166845 /nfs/dbraw/zinc/16/68/45/569166845.db2.gz TXNHZCOZEWTCMS-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)c1 ZINC000089919938 569167721 /nfs/dbraw/zinc/16/77/21/569167721.db2.gz KZPWZFUGHKUKCB-CWTRNNRKSA-N 0 0 435.293 4.149 50 0 IIAARN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)c1 ZINC000089919939 569167767 /nfs/dbraw/zinc/16/77/67/569167767.db2.gz KZPWZFUGHKUKCB-HXPMCKFVSA-N 0 0 435.293 4.149 50 0 IIAARN COc1cccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000016960259 569168048 /nfs/dbraw/zinc/16/80/48/569168048.db2.gz VZGKIEKWYXXOOS-IBGZPJMESA-N 0 0 435.954 4.355 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1 ZINC000016960284 569168050 /nfs/dbraw/zinc/16/80/50/569168050.db2.gz NOSIGDQJDFCZKK-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN CCCOc1ccc(CCC(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000207983083 569170106 /nfs/dbraw/zinc/17/01/06/569170106.db2.gz MIWYBCDASBIUHL-QFIPXVFZSA-N 0 0 433.545 4.012 50 0 IIAARN Cc1cc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c(C)c1 ZINC000017010406 569170242 /nfs/dbraw/zinc/17/02/42/569170242.db2.gz HURPXASUHWBJKD-OAHLLOKOSA-N 0 0 435.596 4.157 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000017043010 569171388 /nfs/dbraw/zinc/17/13/88/569171388.db2.gz IYXBEJRUQCXWMT-UHFFFAOYSA-N 0 0 436.533 4.154 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4OC)ncn3)C[C@H]2C)cc1 ZINC000037356395 569172117 /nfs/dbraw/zinc/17/21/17/569172117.db2.gz VUYZOBWOKLXLLW-LJQANCHMSA-N 0 0 446.551 4.499 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4F)ncn3)C[C@@H]2C)cc1 ZINC000037356436 569172166 /nfs/dbraw/zinc/17/21/66/569172166.db2.gz NBUOTQNTJNMVQX-KRWDZBQOSA-N 0 0 436.487 4.076 50 0 IIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)C12CC3CC(CC(C3)C1)C2 ZINC000017150035 569174980 /nfs/dbraw/zinc/17/49/80/569174980.db2.gz JLDZLVJZBRIHFC-UHFFFAOYSA-N 0 0 445.972 4.109 50 0 IIAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Br)cc1 ZINC000017170213 569175376 /nfs/dbraw/zinc/17/53/76/569175376.db2.gz ZSEVAQYRELVUCO-UHFFFAOYSA-N 0 0 433.356 4.254 50 0 IIAARN COc1ccccc1-c1nc(NCc2cccnc2)nc2nn(-c3ccc(F)cc3)c(N)c21 ZINC000037358703 569176449 /nfs/dbraw/zinc/17/64/49/569176449.db2.gz QNYSYEDCMATZHW-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000001063149 569176615 /nfs/dbraw/zinc/17/66/15/569176615.db2.gz KRYPOJKXVZMFHT-UHFFFAOYSA-N 0 0 444.597 4.168 50 0 IIAARN O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(I)cc1 ZINC000001114645 569176731 /nfs/dbraw/zinc/17/67/31/569176731.db2.gz IEZXHVZZWBKSCK-UHFFFAOYSA-N 0 0 449.313 4.359 50 0 IIAARN COc1ccccc1-c1nc(NCc2ccccn2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037359278 569176965 /nfs/dbraw/zinc/17/69/65/569176965.db2.gz LQDLENOBTSCEJR-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000017270299 569176990 /nfs/dbraw/zinc/17/69/90/569176990.db2.gz JJBODWYDGNICIC-UHFFFAOYSA-N 0 0 447.582 4.368 50 0 IIAARN CC(C)COC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002151175 569177197 /nfs/dbraw/zinc/17/71/97/569177197.db2.gz SBIIPIYVHGZREK-KNXBSLHKSA-N 0 0 430.526 4.023 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC(c4nc5ccccc5s4)CC3)cnc12 ZINC000027099120 569177204 /nfs/dbraw/zinc/17/72/04/569177204.db2.gz YMTUTXJPOAYYSY-UHFFFAOYSA-N 0 0 432.549 4.111 50 0 IIAARN CCc1cc2c(nc(SCC(=O)NCc3ccccc3)n(Cc3ccco3)c2=O)s1 ZINC000002877714 569177683 /nfs/dbraw/zinc/17/76/83/569177683.db2.gz ZOVGOTKWSJXCCU-UHFFFAOYSA-N 0 0 439.562 4.070 50 0 IIAARN COc1ccc(CNC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1OC ZINC000002093353 569178945 /nfs/dbraw/zinc/17/89/45/569178945.db2.gz IEWUWBYHRHLXNX-UHFFFAOYSA-N 0 0 445.471 4.172 50 0 biogenic IIAARN CCOC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OCC)cc1)c2=O ZINC000002104809 569180192 /nfs/dbraw/zinc/18/01/92/569180192.db2.gz SBVWZEMMBAXVCA-UHFFFAOYSA-N 0 0 426.421 4.012 50 0 biogenic IIAARN CCCOC(=O)c1ccc(Oc2coc3cc(OCC(=O)OCC)ccc3c2=O)cc1 ZINC000002104838 569180221 /nfs/dbraw/zinc/18/02/21/569180221.db2.gz XNDCFBPCVMSTKB-UHFFFAOYSA-N 0 0 426.421 4.094 50 0 biogenic IIAARN COCCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037361573 569181687 /nfs/dbraw/zinc/18/16/87/569181687.db2.gz CPHNHARIJWMGAT-UHFFFAOYSA-N 0 0 430.846 4.055 50 0 IIAARN CC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Br)ccc2oc1=O ZINC000002111826 569181966 /nfs/dbraw/zinc/18/19/66/569181966.db2.gz VZVBNTVGEUTROL-UHFFFAOYSA-N 0 0 427.206 4.254 50 0 biogenic IIAARN O=C(N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000001181982 569185430 /nfs/dbraw/zinc/18/54/30/569185430.db2.gz AZQHUPCORXEVGY-AWEZNQCLSA-N 0 0 438.714 4.378 50 0 IIAARN CC(C)c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc3nn(C)c(N)c32)cc1 ZINC000037376175 569185599 /nfs/dbraw/zinc/18/55/99/569185599.db2.gz LPONSNKFMIQVHQ-UHFFFAOYSA-N 0 0 427.556 4.063 50 0 IIAARN COCCNc1nc2nn(-c3ccc(F)cc3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037376753 569185618 /nfs/dbraw/zinc/18/56/18/569185618.db2.gz SXACVZRVOUKUPX-UHFFFAOYSA-N 0 0 430.846 4.055 50 0 IIAARN c1coc([C@H]2CN(c3nnc(COCc4ccccc4)n3Cc3ccccc3)CCO2)c1 ZINC000252490581 569186807 /nfs/dbraw/zinc/18/68/07/569186807.db2.gz KXGNSEIFWYAESW-HSZRJFAPSA-N 0 0 430.508 4.214 50 0 IIAARN CC(C)C(=O)Nc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000027266805 569188191 /nfs/dbraw/zinc/18/81/91/569188191.db2.gz CCDWSNQHACTZKN-NRFANRHFSA-N 0 0 439.556 4.033 50 0 IIAARN COCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)cc1F ZINC000037543713 569199506 /nfs/dbraw/zinc/19/95/06/569199506.db2.gz PFCRGQFKASLULP-UHFFFAOYSA-N 0 0 429.286 4.168 50 0 IIAARN CC(C)CNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000037425778 569195612 /nfs/dbraw/zinc/19/56/12/569195612.db2.gz UABATUHWINNQJE-UHFFFAOYSA-N 0 0 444.532 4.424 50 0 IIAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2cccc(C(=O)N3CCCC3)c2)c1 ZINC000037428492 569195986 /nfs/dbraw/zinc/19/59/86/569195986.db2.gz IYKIXSUUCDKNDT-QPLCGJKRSA-N 0 0 449.576 4.200 50 0 IIAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)N2CCCC2)c1 ZINC000037428241 569196049 /nfs/dbraw/zinc/19/60/49/569196049.db2.gz ONONBNPSAABGEG-QPLCGJKRSA-N 0 0 449.576 4.200 50 0 IIAARN O=C(/N=c1\sccn1Cc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccco1 ZINC000037436829 569196242 /nfs/dbraw/zinc/19/62/42/569196242.db2.gz IXBZQAMXXDYUAV-RWEWTDSWSA-N 0 0 435.480 4.001 50 0 IIAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NCc2ccco2)c1 ZINC000037436896 569196246 /nfs/dbraw/zinc/19/62/46/569196246.db2.gz MRTNFZJOWFDDCU-LCUIJRPUSA-N 0 0 431.517 4.170 50 0 IIAARN COc1ccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3sc(Br)cc32)cc1 ZINC000037543230 569199421 /nfs/dbraw/zinc/19/94/21/569199421.db2.gz SHVMTOHGLHFHBP-OAHLLOKOSA-N 0 0 449.370 4.431 50 0 IIAARN CCCCNC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000037546602 569200229 /nfs/dbraw/zinc/20/02/29/569200229.db2.gz OCXXDUDGPWCRFX-GMAHTHKFSA-N 0 0 425.548 4.447 50 0 IIAARN CC(C)(C)CC(=O)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000037554594 569200415 /nfs/dbraw/zinc/20/04/15/569200415.db2.gz CTEWRMLPGUYZOD-UHFFFAOYSA-N 0 0 448.596 4.481 50 0 IIAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000037557344 569200648 /nfs/dbraw/zinc/20/06/48/569200648.db2.gz FTGVPAZSDWESQK-UHFFFAOYSA-N 0 0 428.532 4.243 50 0 IIAARN CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2 ZINC000037602559 569202625 /nfs/dbraw/zinc/20/26/25/569202625.db2.gz MOZTUOCOGFAROC-HXOBKFHXSA-N 0 0 426.532 4.248 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CCCC3)cc2[C@H]1c1cccc(F)c1 ZINC000037604075 569202940 /nfs/dbraw/zinc/20/29/40/569202940.db2.gz FQHZUWCSXIXOFK-UKILVPOCSA-N 0 0 438.543 4.490 50 0 IIAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@H]2c1ccc2c(c1)OCO2 ZINC000066091335 569205788 /nfs/dbraw/zinc/20/57/88/569205788.db2.gz HBHUFCORSPOXHF-VQTJNVASSA-N 0 0 429.480 4.141 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000002233914 569211086 /nfs/dbraw/zinc/21/10/86/569211086.db2.gz CAMKUESBVIOCKG-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1F ZINC000002234328 569211281 /nfs/dbraw/zinc/21/12/81/569211281.db2.gz XMEZEDGKELLONW-UHFFFAOYSA-N 0 0 446.507 4.381 50 0 IIAARN COc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000002691273 569212627 /nfs/dbraw/zinc/21/26/27/569212627.db2.gz FLNRWLVAOHXHJX-UHFFFAOYSA-N 0 0 447.462 4.446 50 0 IIAARN CC1(C)Cc2nc(-c3ccccc3)n3c(SCC(=O)Nc4ccccc4)nnc3c2CO1 ZINC000002246649 569214525 /nfs/dbraw/zinc/21/45/25/569214525.db2.gz CURVYCKVIKIEJR-UHFFFAOYSA-N 0 0 445.548 4.373 50 0 IIAARN COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(N3CCCC[C@H]3C)c2C1 ZINC000035606338 569257594 /nfs/dbraw/zinc/25/75/94/569257594.db2.gz MULUHSZMKRPZPM-LJQANCHMSA-N 0 0 434.584 4.388 50 0 IIAARN CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000060520193 569258582 /nfs/dbraw/zinc/25/85/82/569258582.db2.gz ANKQDHSPBWQPSK-YFBXQHAESA-N 0 0 440.540 4.111 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C)N([C@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000138948315 569258907 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IIAARN COc1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2Br)cc1 ZINC000027572326 569273722 /nfs/dbraw/zinc/27/37/22/569273722.db2.gz UUHRGKOSPPZLAJ-GOSISDBHSA-N 0 0 438.661 4.060 50 0 IIAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002384387 569294221 /nfs/dbraw/zinc/29/42/21/569294221.db2.gz NTEYJXSWUYEOHK-OAQYLSRUSA-N 0 0 435.476 4.282 50 0 IIAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccco1 ZINC000002398640 569298650 /nfs/dbraw/zinc/29/86/50/569298650.db2.gz WXXZEFQYNUTIOF-SFHVURJKSA-N 0 0 437.249 4.289 50 0 IIAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)s1 ZINC000002400917 569299533 /nfs/dbraw/zinc/29/95/33/569299533.db2.gz GWWMNLDDZRHKOJ-MRXNPFEDSA-N 0 0 427.844 4.495 50 0 IIAARN CC(C)OCCCNC(=O)c1c(N)n(CCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002410365 569300760 /nfs/dbraw/zinc/30/07/60/569300760.db2.gz HNHNTXVZCCJOPJ-UHFFFAOYSA-N 0 0 445.567 4.344 50 0 IIAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002418301 569301648 /nfs/dbraw/zinc/30/16/48/569301648.db2.gz BOSWZMAUWZBILI-DLBZAZTESA-N 0 0 442.306 4.385 50 0 IIAARN O=S(=O)(c1ccc(Cl)cc1)N1CN(Cc2ccco2)c2nc3ccccc3nc21 ZINC000002418953 569301763 /nfs/dbraw/zinc/30/17/63/569301763.db2.gz HUKBOFMSOQJERB-UHFFFAOYSA-N 0 0 426.885 4.049 50 0 IIAARN Cc1ccc(Cn2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002430914 569303309 /nfs/dbraw/zinc/30/33/09/569303309.db2.gz KOMKMLUQVWENDX-UHFFFAOYSA-N 0 0 431.540 4.068 50 0 IIAARN COc1cc(C(=O)Nc2c(-c3ccccc3)c(=O)c3ccccc3n2C)cc(OC)c1OC ZINC000002435898 569303813 /nfs/dbraw/zinc/30/38/13/569303813.db2.gz CHTJLNFPTFKMOI-UHFFFAOYSA-N 0 0 444.487 4.484 50 0 IIAARN COc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002441239 569304158 /nfs/dbraw/zinc/30/41/58/569304158.db2.gz CWKXVIVMGXVECM-UHFFFAOYSA-N 0 0 448.479 4.136 50 0 IIAARN O=C1C(=O)N(OCc2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000012956173 569305307 /nfs/dbraw/zinc/30/53/07/569305307.db2.gz ZERXYVTYOCOYBC-UHFFFAOYSA-N 0 0 431.634 4.209 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4.407 50 0 IIAARN C[C@@](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)(C(N)=O)c1ccccc1 ZINC000078720343 569318603 /nfs/dbraw/zinc/31/86/03/569318603.db2.gz QNTWFCYKMRFVNQ-NRFANRHFSA-N 0 0 429.398 4.023 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)cc1F ZINC000078903105 569320222 /nfs/dbraw/zinc/32/02/22/569320222.db2.gz KQLVYGWKLSUWDV-UHFFFAOYSA-N 0 0 437.540 4.426 50 0 IIAARN CC(C)[C@H]1CN(C(=O)COC2CCCC2)c2ccccc2N1C(=O)COC1CCCC1 ZINC000078968415 569320731 /nfs/dbraw/zinc/32/07/31/569320731.db2.gz ATUHSYFEXQQNAF-HSZRJFAPSA-N 0 0 428.573 4.309 50 0 IIAARN O=c1[nH]c2ccccc2n1C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000078995870 569321764 /nfs/dbraw/zinc/32/17/64/569321764.db2.gz NDQTWGPCTUZXAJ-UHFFFAOYSA-N 0 0 437.341 4.477 50 0 IIAARN COc1ccc([C@@H](CNC(=O)CCc2nc([C@@H](C)OC)no2)c2c[nH]c3ccccc32)cc1 ZINC000079018080 569322269 /nfs/dbraw/zinc/32/22/69/569322269.db2.gz DLKASEKYROMDRJ-OXQOHEQNSA-N 0 0 448.523 4.148 50 0 IIAARN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000079026384 569322945 /nfs/dbraw/zinc/32/29/45/569322945.db2.gz AGXVEWUPWOXAJL-HXPMCKFVSA-N 0 0 430.936 4.466 50 0 IIAARN Cc1ccc2sc(CCNC(=O)CCC(=O)N3CCSc4ccccc43)nc2c1 ZINC000079054056 569323573 /nfs/dbraw/zinc/32/35/73/569323573.db2.gz OAEJLPONWCQOIK-UHFFFAOYSA-N 0 0 425.579 4.183 50 0 IIAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CSCCS1 ZINC000079054448 569323574 /nfs/dbraw/zinc/32/35/74/569323574.db2.gz LJHWZLZKIOAMMU-AWEZNQCLSA-N 0 0 430.426 4.303 50 0 IIAARN NC(=O)[C@@H]1CCC[C@H]1Nc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063974 569324300 /nfs/dbraw/zinc/32/43/00/569324300.db2.gz IATODIXGVCSAKX-IEBWSBKVSA-N 0 0 435.597 4.410 50 0 IIAARN Cc1cc([C@@H](C)NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)c(C)s1 ZINC000079069450 569324422 /nfs/dbraw/zinc/32/44/22/569324422.db2.gz WOIHEYZTSHIKHM-DGCLKSJQSA-N 0 0 444.416 4.415 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC000079102618 569325494 /nfs/dbraw/zinc/32/54/94/569325494.db2.gz RZRPPIPUVMDAEW-ICSRJNTNSA-N 0 0 426.561 4.255 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc(Br)c3)N2C1=O ZINC000002463455 569331807 /nfs/dbraw/zinc/33/18/07/569331807.db2.gz PPZSAQQHJZXOIO-HOCLYGCPSA-N 0 0 437.359 4.439 50 0 IIAARN COc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020033016 569332575 /nfs/dbraw/zinc/33/25/75/569332575.db2.gz RWIZEYAQBRCTQW-IBGZPJMESA-N 0 0 429.542 4.348 50 0 IIAARN C[C@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O ZINC000020069940 569333428 /nfs/dbraw/zinc/33/34/28/569333428.db2.gz CVXGACRELYYDSN-JLCFBVMHSA-N 0 0 447.457 4.490 50 0 IIAARN Cc1nc2nc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)nn2c(C)c1Cc1ccccc1 ZINC000020116743 569335103 /nfs/dbraw/zinc/33/51/03/569335103.db2.gz ZTNJHMYUYRLVOU-WHSLLNHNSA-N 0 0 437.613 4.365 50 0 IIAARN COc1cc(/N=c2\oc3cc(OCc4ccccc4)ccc3cc2C(N)=O)cc(OC)c1 ZINC000020132025 569335457 /nfs/dbraw/zinc/33/54/57/569335457.db2.gz MHLGRJVMIRCDBH-RFBIWTDZSA-N 0 0 430.460 4.360 50 0 IIAARN CCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C[C@H]1C ZINC000020209163 569356078 /nfs/dbraw/zinc/35/60/78/569356078.db2.gz DZUXENBPIRERFS-GFCCVEGCSA-N 0 0 428.432 4.074 50 0 IIAARN CCOC(CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2)OCC ZINC000020355270 569361215 /nfs/dbraw/zinc/36/12/15/569361215.db2.gz SLLFVRBWPIVTQW-UDWIEESQSA-N 0 0 426.538 4.209 50 0 IIAARN CCc1cc2c(cc3c(=O)n(CC(=O)N[C@H]4CCCc5ccccc54)nc(CC)n23)s1 ZINC000020384361 569362869 /nfs/dbraw/zinc/36/28/69/569362869.db2.gz PUDHADHCGVSTIO-SFHVURJKSA-N 0 0 434.565 4.029 50 0 IIAARN O=C(Nc1ccc(N2CCCC2)nc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000095377558 569363172 /nfs/dbraw/zinc/36/31/72/569363172.db2.gz OEMVZELAUKKIBR-UHFFFAOYSA-N 0 0 445.361 4.272 50 0 IIAARN O=C(OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCCN1Cc1ccccc1 ZINC000095395330 569363562 /nfs/dbraw/zinc/36/35/62/569363562.db2.gz NDJDNUKGCUCFSY-GOSISDBHSA-N 0 0 431.414 4.463 50 0 IIAARN Cc1nn(C)c2c1N(C(=O)c1ccc(Oc3cccc(Br)c3)nc1)CCS2 ZINC000095402006 569363947 /nfs/dbraw/zinc/36/39/47/569363947.db2.gz TUCBJQOKHJQNDC-UHFFFAOYSA-N 0 0 445.342 4.431 50 0 IIAARN CC[C@H](OC1CCCC1)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000095401031 569364067 /nfs/dbraw/zinc/36/40/67/569364067.db2.gz LGAFCUMPEKKVFU-FQEVSTJZSA-N 0 0 428.495 4.010 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417682 569365044 /nfs/dbraw/zinc/36/50/44/569365044.db2.gz FLJGVWOSCIXGTA-MRXNPFEDSA-N 0 0 448.954 4.394 50 0 IIAARN Cc1cccc2[nH]cc(CC(=O)N(C)CCCN(C)C(=O)Cc3c[nH]c4cccc(C)c34)c21 ZINC000095410350 569365361 /nfs/dbraw/zinc/36/53/61/569365361.db2.gz HQGQHINVSYTDAF-UHFFFAOYSA-N 0 0 444.579 4.358 50 0 IIAARN CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCCCC2)c2ccccc21 ZINC000020439063 569365734 /nfs/dbraw/zinc/36/57/34/569365734.db2.gz XFOWUERCJLPWBI-XLNRJJMWSA-N 0 0 431.536 4.453 50 0 IIAARN C[C@@H](NC(=O)COC(=O)c1cc(N)cc2ccccc21)c1ccc(Br)cc1 ZINC000095443941 569366802 /nfs/dbraw/zinc/36/68/02/569366802.db2.gz LHTRIDIHSSOUME-CYBMUJFWSA-N 0 0 427.298 4.219 50 0 IIAARN CC(C)c1nccc(C2CCN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)n1 ZINC000095449612 569367657 /nfs/dbraw/zinc/36/76/57/569367657.db2.gz FRABBOJMTWZGAQ-UHFFFAOYSA-N 0 0 430.961 4.370 50 0 IIAARN CCCCN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2ccncc2)[C@H]1c1ccccc1OC ZINC000095454201 569368226 /nfs/dbraw/zinc/36/82/26/569368226.db2.gz BCQDIYVVGHJNQV-XUZZJYLKSA-N 0 0 437.584 4.264 50 0 IIAARN COc1cc(NCc2ccccc2OC2CCCC2)ccc1S(=O)(=O)N1CCCC1 ZINC000095457000 569368922 /nfs/dbraw/zinc/36/89/22/569368922.db2.gz BXLUKBJFOADEIK-UHFFFAOYSA-N 0 0 430.570 4.413 50 0 IIAARN Cc1ccc(C(=O)N2CC=C(c3ccccc3)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC000095465012 569370686 /nfs/dbraw/zinc/37/06/86/569370686.db2.gz UJKVVOMBKIKDPZ-UHFFFAOYSA-N 0 0 432.545 4.013 50 0 IIAARN CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000095465410 569370687 /nfs/dbraw/zinc/37/06/87/569370687.db2.gz PEEPBXCLZCMJDA-HXUWFJFHSA-N 0 0 440.341 4.108 50 0 IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1O ZINC000095475980 569372835 /nfs/dbraw/zinc/37/28/35/569372835.db2.gz PCKIXFWSKBWUIB-MRXNPFEDSA-N 0 0 448.443 4.317 50 0 IIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1 ZINC000095477655 569373387 /nfs/dbraw/zinc/37/33/87/569373387.db2.gz UJYFRCKIVGVVAJ-JOCHJYFZSA-N 0 0 436.987 4.097 50 0 IIAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1O ZINC000095480901 569374081 /nfs/dbraw/zinc/37/40/81/569374081.db2.gz ARVSLQMWOYHKDU-OAHLLOKOSA-N 0 0 433.432 4.006 50 0 IIAARN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482264 569374337 /nfs/dbraw/zinc/37/43/37/569374337.db2.gz NQEMXQAIRNWVSW-AWEZNQCLSA-N 0 0 430.302 4.233 50 0 IIAARN Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482265 569374366 /nfs/dbraw/zinc/37/43/66/569374366.db2.gz NQEMXQAIRNWVSW-CQSZACIVSA-N 0 0 430.302 4.233 50 0 IIAARN COCCn1c(=O)c2c3c(sc2nc1SCc1nc2cccnc2s1)CCCC3 ZINC000095977370 569377725 /nfs/dbraw/zinc/37/77/25/569377725.db2.gz QNKTZSXZXWTPAA-UHFFFAOYSA-N 0 0 444.607 4.280 50 0 IIAARN C[C@@H](O)CN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCCC1 ZINC000095996472 569378840 /nfs/dbraw/zinc/37/88/40/569378840.db2.gz QBKLOOYPIFJLAT-OAHLLOKOSA-N 0 0 429.483 4.089 50 0 IIAARN CCc1ccc(C(=O)N2CCN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 ZINC000096012300 569380026 /nfs/dbraw/zinc/38/00/26/569380026.db2.gz KUHMTEZIULASHC-UHFFFAOYSA-N 0 0 437.540 4.039 50 0 IIAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1)N1CCOCC1 ZINC000096096078 569381205 /nfs/dbraw/zinc/38/12/05/569381205.db2.gz MPIPFXRNBZOLLL-UYRXBGFRSA-N 0 0 442.924 4.049 50 0 IIAARN CCOc1cc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc(OCC)c1OCC ZINC000096097037 569381393 /nfs/dbraw/zinc/38/13/93/569381393.db2.gz FVXMIUOFYQUAGK-UHFFFAOYSA-N 0 0 425.485 4.417 50 0 IIAARN COc1cc(C(=O)Nc2c(C)cccc2-c2nc3ccccc3[nH]c2=O)cc(OC)c1OC ZINC000096102805 569381867 /nfs/dbraw/zinc/38/18/67/569381867.db2.gz IBOFMBGMVGDFDT-UHFFFAOYSA-N 0 0 445.475 4.177 50 0 IIAARN CCCc1nnc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)s1 ZINC000096114187 569382649 /nfs/dbraw/zinc/38/26/49/569382649.db2.gz ZLTDOFJVCFHWCK-KPKJPENVSA-N 0 0 445.541 4.091 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2cccc(C)c2)cc(=O)c1O ZINC000096114243 569382696 /nfs/dbraw/zinc/38/26/96/569382696.db2.gz DLDGSMNFXZURAR-LJQANCHMSA-N 0 0 426.490 4.347 50 0 biogenic IIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096114554 569382828 /nfs/dbraw/zinc/38/28/28/569382828.db2.gz VTMIMYUXFMQXEU-GIVPXCGWSA-N 0 0 435.955 4.123 50 0 biogenic IIAARN COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c21 ZINC000096114519 569382910 /nfs/dbraw/zinc/38/29/10/569382910.db2.gz INGAYPRUHFPLLW-INIZCTEOSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)ccc1O ZINC000096116092 569383638 /nfs/dbraw/zinc/38/36/38/569383638.db2.gz CBXOMWIZTAESBB-NZQKXSOJSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096116985 569383900 /nfs/dbraw/zinc/38/39/00/569383900.db2.gz IHWYKGHTAYDATJ-OAHLLOKOSA-N 0 0 427.498 4.033 50 0 IIAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1ccccc1OCc1ccccn1 ZINC000096118114 569384426 /nfs/dbraw/zinc/38/44/26/569384426.db2.gz ZVLDMCDGTQZHOY-NRFANRHFSA-N 0 0 443.503 4.375 50 0 IIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119159 569384625 /nfs/dbraw/zinc/38/46/25/569384625.db2.gz XCFRTIRNZWSZKB-GFCCVEGCSA-N 0 0 443.472 4.385 50 0 IIAARN O=S(=O)(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000096119627 569384730 /nfs/dbraw/zinc/38/47/30/569384730.db2.gz KMMQTGKDSBGLSC-UHFFFAOYSA-N 0 0 446.532 4.402 50 0 IIAARN O=C(CCc1ccccc1Br)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000096120379 569384948 /nfs/dbraw/zinc/38/49/48/569384948.db2.gz HLGHOLDHCDUFBE-UHFFFAOYSA-N 0 0 445.357 4.409 50 0 IIAARN CC(C)n1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000096125342 569385625 /nfs/dbraw/zinc/38/56/25/569385625.db2.gz ADTHGHXNEDMWTA-AWEZNQCLSA-N 0 0 436.940 4.124 50 0 IIAARN CCOc1cc(/C=C\C(=O)Nc2ccc(OCC(=O)OC)cc2C)cc(Cl)c1OC ZINC000096130208 569385870 /nfs/dbraw/zinc/38/58/70/569385870.db2.gz XRXFZUZWVWZOHZ-TWGQIWQCSA-N 0 0 433.888 4.259 50 0 IIAARN CN1c2cccnc2Sc2ccc(NC(=O)CCn3cnc(Cl)c3Cl)cc2C1=O ZINC000096231922 569387754 /nfs/dbraw/zinc/38/77/54/569387754.db2.gz WNWYDQMCFFLQJQ-UHFFFAOYSA-N 0 0 448.335 4.355 50 0 IIAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCCN1CCOCC1 ZINC000096278909 569389207 /nfs/dbraw/zinc/38/92/07/569389207.db2.gz CBHBHIDRBGPFQU-HXUWFJFHSA-N 0 0 445.485 4.157 50 0 IIAARN CC(C)n1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)c1=O ZINC000096281350 569389918 /nfs/dbraw/zinc/38/99/18/569389918.db2.gz CSGGPFYYZMXGBE-UHFFFAOYSA-N 0 0 447.297 4.424 50 0 IIAARN COCCN(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096292248 569391269 /nfs/dbraw/zinc/39/12/69/569391269.db2.gz OLCWYTXIHAPFJX-UHFFFAOYSA-N 0 0 437.393 4.226 50 0 IIAARN COc1ccc(-c2noc(CCN(C(=O)c3ccco3)C3CCCCC3)n2)cc1OC ZINC000096293089 569391396 /nfs/dbraw/zinc/39/13/96/569391396.db2.gz MXAUMQMHSPIOCZ-UHFFFAOYSA-N 0 0 425.485 4.364 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293141 569391480 /nfs/dbraw/zinc/39/14/80/569391480.db2.gz QMDBZSWFHLWVAP-OPAMFIHVSA-N 0 0 439.512 4.174 50 0 IIAARN CC(C)CN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1c1ccoc1 ZINC000096293440 569391576 /nfs/dbraw/zinc/39/15/76/569391576.db2.gz AXBDBVBGVAHZFM-UHFFFAOYSA-N 0 0 429.523 4.205 50 0 IIAARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000096299972 569392005 /nfs/dbraw/zinc/39/20/05/569392005.db2.gz NTZHWIHCJKMBCU-GOSISDBHSA-N 0 0 431.983 4.427 50 0 IIAARN CCOc1cc(/C=C\C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)cc(Cl)c1OC ZINC000096315894 569392715 /nfs/dbraw/zinc/39/27/15/569392715.db2.gz CMAXKDHNHNVOJP-GDCKJWNLSA-N 0 0 428.920 4.317 50 0 IIAARN CCOc1c(Cl)cc(/C=C\C(=O)Nc2ccn(CCc3ccccn3)n2)cc1OC ZINC000096314873 569392725 /nfs/dbraw/zinc/39/27/25/569392725.db2.gz DDVADSUDOGPRAF-FPLPWBNLSA-N 0 0 426.904 4.233 50 0 IIAARN CCNC(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2cccc(Cl)c2)CC1 ZINC000096316765 569392861 /nfs/dbraw/zinc/39/28/61/569392861.db2.gz QMNKUMWRVVGKEC-UHFFFAOYSA-N 0 0 429.996 4.258 50 0 IIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(C)c1 ZINC000096317234 569393132 /nfs/dbraw/zinc/39/31/32/569393132.db2.gz LNHPJLXWVWZJOC-UHFFFAOYSA-N 0 0 436.600 4.094 50 0 IIAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317346 569393321 /nfs/dbraw/zinc/39/33/21/569393321.db2.gz YUDGNPITPGVQFQ-UHFFFAOYSA-N 0 0 430.955 4.350 50 0 IIAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000096318401 569393824 /nfs/dbraw/zinc/39/38/24/569393824.db2.gz QRSMATMXASOWKC-UHFFFAOYSA-N 0 0 432.490 4.152 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(Cl)cc3)c4=O)n2)cc1 ZINC000096320217 569394097 /nfs/dbraw/zinc/39/40/97/569394097.db2.gz SPASKLYENKCOFL-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN O=S(=O)(c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)N1CCCCC1 ZINC000096322019 569394264 /nfs/dbraw/zinc/39/42/64/569394264.db2.gz WAYDZBABTKJATO-UHFFFAOYSA-N 0 0 448.342 4.341 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000096322201 569394449 /nfs/dbraw/zinc/39/44/49/569394449.db2.gz MKDMXNKXZIBKBS-UHFFFAOYSA-N 0 0 442.285 4.331 50 0 IIAARN CCOc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)n1 ZINC000096322793 569394929 /nfs/dbraw/zinc/39/49/29/569394929.db2.gz BADHGLBTEIFVOQ-UHFFFAOYSA-N 0 0 440.477 4.378 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cccc(Cl)c1)C3 ZINC000096326904 569396309 /nfs/dbraw/zinc/39/63/09/569396309.db2.gz XTHBKEMQOGYQMW-UHFFFAOYSA-N 0 0 432.307 4.253 50 0 IIAARN Cc1[nH]nc(-c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)s2)c1C ZINC000096341484 569396791 /nfs/dbraw/zinc/39/67/91/569396791.db2.gz JQEDZNIDGVTALN-UHFFFAOYSA-N 0 0 444.626 4.191 50 0 IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)NCCc2cccs2)cc1 ZINC000096335996 569396799 /nfs/dbraw/zinc/39/67/99/569396799.db2.gz KIFBPSAMEVALGF-NZQKXSOJSA-N 0 0 447.512 4.115 50 0 IIAARN CC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)n1 ZINC000096373127 569398035 /nfs/dbraw/zinc/39/80/35/569398035.db2.gz MUESSGLASJQTFJ-QGZVFWFLSA-N 0 0 434.005 4.060 50 0 IIAARN C[C@@H](NC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1)c1ccc(F)cc1 ZINC000096386412 569398557 /nfs/dbraw/zinc/39/85/57/569398557.db2.gz VSJGAJKJSFUKBM-OAHLLOKOSA-N 0 0 428.508 4.239 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000096398954 569399791 /nfs/dbraw/zinc/39/97/91/569399791.db2.gz ZLMZZDHKDUOYLF-UHFFFAOYSA-N 0 0 425.485 4.045 50 0 IIAARN COc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2cc(OC)c(OC)c(OC)c2)c(Cl)c1 ZINC000096398938 569399825 /nfs/dbraw/zinc/39/98/25/569399825.db2.gz RKSOSAVPYGYKLY-UHFFFAOYSA-N 0 0 445.903 4.254 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3C)sc2c1 ZINC000096399547 569400155 /nfs/dbraw/zinc/40/01/55/569400155.db2.gz WKAYRUDCBVXTAV-UHFFFAOYSA-N 0 0 439.559 4.236 50 0 IIAARN COc1ccc(OC)c(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000096399720 569400236 /nfs/dbraw/zinc/40/02/36/569400236.db2.gz HIGYPIBIXVQPHD-UHFFFAOYSA-N 0 0 449.554 4.387 50 0 IIAARN COc1ccc(CNC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1 ZINC000096399747 569400282 /nfs/dbraw/zinc/40/02/82/569400282.db2.gz OSSJTCHZHXOFCH-UHFFFAOYSA-N 0 0 433.555 4.056 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000021861270 569400923 /nfs/dbraw/zinc/40/09/23/569400923.db2.gz OMOZPISORWWKCV-WXJXEWBDSA-N 0 0 444.579 4.454 50 0 IIAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](c1nc2ccccc2n1C)C(C)C ZINC000334162813 569402211 /nfs/dbraw/zinc/40/22/11/569402211.db2.gz ZRVBOCIRLBDMHJ-RUZDIDTESA-N 0 0 447.535 4.443 50 0 IIAARN CCCNC(=O)[C@H](C)SC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000096915670 569402507 /nfs/dbraw/zinc/40/25/07/569402507.db2.gz XEZVRUGJKMOMTI-VLURKWGBSA-N 0 0 447.944 4.333 50 0 IIAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(Br)c1 ZINC000002459161 569403445 /nfs/dbraw/zinc/40/34/45/569403445.db2.gz WMAKAHSCIGIQKR-HSZRJFAPSA-N 0 0 436.305 4.457 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1C(=O)/C=C\c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000097288655 569403469 /nfs/dbraw/zinc/40/34/69/569403469.db2.gz VAVVVMDKJHMONB-BIGNBACZSA-N 0 0 429.948 4.159 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N(C)C3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000002468381 569403926 /nfs/dbraw/zinc/40/39/26/569403926.db2.gz BWYBCSFHWCQTHK-JWQCQUIFSA-N 0 0 448.563 4.332 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000027934351 569404139 /nfs/dbraw/zinc/40/41/39/569404139.db2.gz GOKSOTPQTNHCGQ-UHFFFAOYSA-N 0 0 441.535 4.008 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4cccc(Cl)c4)no3)ccc2c(=O)n1Cc1ccccc1 ZINC000225547778 569404166 /nfs/dbraw/zinc/40/41/66/569404166.db2.gz LYHPWBASDLWGGN-UHFFFAOYSA-N 0 0 430.851 4.109 50 0 IIAARN CCCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002487035 569405096 /nfs/dbraw/zinc/40/50/96/569405096.db2.gz RJAASRROMNQSDT-NRFANRHFSA-N 0 0 446.569 4.478 50 0 IIAARN Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccnc(-c2cccs2)c1 ZINC000225650983 569406433 /nfs/dbraw/zinc/40/64/33/569406433.db2.gz KDVVIEQJHCEAEV-UHFFFAOYSA-N 0 0 427.327 4.389 50 0 IIAARN COc1ccc(Sc2cc3c(cc2NC(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1 ZINC000028049318 569406707 /nfs/dbraw/zinc/40/67/07/569406707.db2.gz RPZVWIRSNSLQDO-UHFFFAOYSA-N 0 0 437.496 4.428 50 0 IIAARN O=C(CSc1nc2ccccc2s1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225729015 569407547 /nfs/dbraw/zinc/40/75/47/569407547.db2.gz VLIZXCHMTGVYHP-ZDUSSCGKSA-N 0 0 439.484 4.482 50 0 IIAARN C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000028366408 569409766 /nfs/dbraw/zinc/40/97/66/569409766.db2.gz FGUFRXICSIGLBW-HNNXBMFYSA-N 0 0 428.485 4.065 50 0 IIAARN CCCCc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000670417852 569409943 /nfs/dbraw/zinc/40/99/43/569409943.db2.gz VILCFRIRXPXIAA-JOCHJYFZSA-N 0 0 441.597 4.478 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cc2ccccc2cc1O ZINC000002633389 569412640 /nfs/dbraw/zinc/41/26/40/569412640.db2.gz BZATUTMSYRIOJP-UHFFFAOYSA-N 0 0 427.478 4.196 50 0 IIAARN Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)c2c1C ZINC000002634474 569412763 /nfs/dbraw/zinc/41/27/63/569412763.db2.gz VIRMIGLHXIXELF-SECBINFHSA-N 0 0 446.623 4.324 50 0 IIAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002634203 569412819 /nfs/dbraw/zinc/41/28/19/569412819.db2.gz LFKQPELFUMTEDW-NHYWBVRUSA-N 0 0 441.336 4.230 50 0 IIAARN CCc1cccc(CC)c1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O ZINC000002638507 569413375 /nfs/dbraw/zinc/41/33/75/569413375.db2.gz YNLKZPRKZJEWME-UHFFFAOYSA-N 0 0 432.568 4.146 50 0 IIAARN O=C(OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1c2c(nc3ccccc31)CCC2 ZINC000002643318 569413854 /nfs/dbraw/zinc/41/38/54/569413854.db2.gz ZAIFZQUXYMYMSD-UHFFFAOYSA-N 0 0 431.517 4.257 50 0 IIAARN FC(F)Oc1ccc(NC(=S)NNC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000002644779 569414002 /nfs/dbraw/zinc/41/40/02/569414002.db2.gz WLBHPTZRGUYRIJ-UHFFFAOYSA-N 0 0 436.431 4.495 50 0 IIAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000002644185 569414010 /nfs/dbraw/zinc/41/40/10/569414010.db2.gz YSWKKXWIOXHXGE-UHFFFAOYSA-N 0 0 426.498 4.042 50 0 IIAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(OC)c1 ZINC000002647269 569414318 /nfs/dbraw/zinc/41/43/18/569414318.db2.gz KNQOBIFLQKVIHX-UHFFFAOYSA-N 0 0 446.528 4.437 50 0 IIAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)s2)c(C)c1 ZINC000002647924 569414393 /nfs/dbraw/zinc/41/43/93/569414393.db2.gz VWBZNHZLTKMSHC-CQSZACIVSA-N 0 0 442.566 4.424 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)c1ccccc1F)CC2 ZINC000002649045 569414585 /nfs/dbraw/zinc/41/45/85/569414585.db2.gz WYPIMQSQHLUKST-RUZDIDTESA-N 0 0 449.478 4.174 50 0 IIAARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002651696 569414917 /nfs/dbraw/zinc/41/49/17/569414917.db2.gz CKNINSNIOQSGEZ-SFHVURJKSA-N 0 0 429.476 4.150 50 0 IIAARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002651697 569414946 /nfs/dbraw/zinc/41/49/46/569414946.db2.gz CKNINSNIOQSGEZ-GOSISDBHSA-N 0 0 429.476 4.150 50 0 IIAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NCc1ccc2c(c1)OCO2 ZINC000002660794 569415970 /nfs/dbraw/zinc/41/59/70/569415970.db2.gz RXIHBJAARLRKIC-UHFFFAOYSA-N 0 0 435.530 4.496 50 0 IIAARN O=c1c2cc(F)ccc2n(Cc2cccc(F)c2)cc1S(=O)(=O)c1ccc(F)cc1 ZINC000002692245 569417163 /nfs/dbraw/zinc/41/71/63/569417163.db2.gz SYQCWQNLFOLEMB-UHFFFAOYSA-N 0 0 429.419 4.300 50 0 IIAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002720107 569418008 /nfs/dbraw/zinc/41/80/08/569418008.db2.gz PDOBQBHSEBMLMX-UHFFFAOYSA-N 0 0 432.427 4.164 50 0 IIAARN COc1ccc(C=C2NC(=S)N(C[C@@H]3CCCO3)C2=O)cc1CSc1ccccn1 ZINC000002790041 569421484 /nfs/dbraw/zinc/42/14/84/569421484.db2.gz LNIXMPHAOWNLDK-KMTKGMGQSA-N 0 0 441.578 4.030 50 0 IIAARN Cc1c(C(=O)N(C)C)sc2ncn3nc(Cn4c5ccccc5c5c4CCCC5)nc3c12 ZINC000002791014 569421775 /nfs/dbraw/zinc/42/17/75/569421775.db2.gz VBLRAQKBHCVRJB-UHFFFAOYSA-N 0 0 444.564 4.231 50 0 IIAARN Cc1nn(CCc2nnc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)o2)c(C)c1Cl ZINC000002803810 569422548 /nfs/dbraw/zinc/42/25/48/569422548.db2.gz DDKZPCHUILIOOP-UHFFFAOYSA-N 0 0 443.792 4.364 50 0 IIAARN COc1ccc(Cc2nnc([C@@H](C)n3nc(C(F)F)c(Br)c3C)o2)cc1 ZINC000002804799 569422666 /nfs/dbraw/zinc/42/26/66/569422666.db2.gz DFDYAZBDZVTTPU-SNVBAGLBSA-N 0 0 427.249 4.483 50 0 IIAARN COC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000002937535 569426224 /nfs/dbraw/zinc/42/62/24/569426224.db2.gz IFNCCTXKMKTVIB-UHFFFAOYSA-N 0 0 428.444 4.038 50 0 IIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CCC2 ZINC000002944441 569426928 /nfs/dbraw/zinc/42/69/28/569426928.db2.gz BMTFSJNNGATRKG-IBGZPJMESA-N 0 0 440.540 4.073 50 0 biogenic IIAARN O=C(c1ccc2ccccc2n1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029256043 569429249 /nfs/dbraw/zinc/42/92/49/569429249.db2.gz IEQNXBQRLPMZTL-UHFFFAOYSA-N 0 0 432.524 4.455 50 0 IIAARN CCN1C[C@H](CN(C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)Oc2ccccc21 ZINC000057293254 569430496 /nfs/dbraw/zinc/43/04/96/569430496.db2.gz PIKCNCZDICUXOW-IBGZPJMESA-N 0 0 445.523 4.419 50 0 IIAARN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000029482231 569430669 /nfs/dbraw/zinc/43/06/69/569430669.db2.gz MXQMIMZSFICGCF-FQEVSTJZSA-N 0 0 440.565 4.192 50 0 IIAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)o2)cc1 ZINC000029509917 569431317 /nfs/dbraw/zinc/43/13/17/569431317.db2.gz HUYFNJAVIICUKW-UHFFFAOYSA-N 0 0 428.510 4.106 50 0 IIAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(C)cc3)N2C1=O ZINC000002968100 569432986 /nfs/dbraw/zinc/43/29/86/569432986.db2.gz AWWHKTGVYBPHMH-FQEVSTJZSA-N 0 0 434.565 4.193 50 0 IIAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O ZINC000002968061 569432996 /nfs/dbraw/zinc/43/29/96/569432996.db2.gz CVVJXCBMFHPIJL-LJQANCHMSA-N 0 0 438.528 4.024 50 0 IIAARN O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn21)NCc1ccccc1 ZINC000002969035 569433203 /nfs/dbraw/zinc/43/32/03/569433203.db2.gz CXTPDBXZCCZXGQ-UHFFFAOYSA-N 0 0 425.517 4.353 50 0 IIAARN COc1ccc(CCn2c(SCC(=O)C(C)(C)C)nc3ccccc3c2=O)cc1OC ZINC000002970067 569433315 /nfs/dbraw/zinc/43/33/15/569433315.db2.gz BBHXPNRCUQXMJL-UHFFFAOYSA-N 0 0 440.565 4.364 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000057425510 569434427 /nfs/dbraw/zinc/43/44/27/569434427.db2.gz CLAXELDXLCXBDG-UHFFFAOYSA-N 0 0 433.558 4.188 50 0 IIAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCC(C)CC2)ccc1F ZINC000057428626 569434959 /nfs/dbraw/zinc/43/49/59/569434959.db2.gz KZNZTINZOJHGRS-UHFFFAOYSA-N 0 0 431.558 4.245 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000057449689 569435176 /nfs/dbraw/zinc/43/51/76/569435176.db2.gz KBPZWQRCLCXTMG-UHFFFAOYSA-N 0 0 440.744 4.311 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(OC)c1 ZINC000003017659 569435509 /nfs/dbraw/zinc/43/55/09/569435509.db2.gz GXAHKHGODOVZNQ-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)no1 ZINC000057472599 569435634 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C[C@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000008241669 569462478 /nfs/dbraw/zinc/46/24/78/569462478.db2.gz BTHBWCNOJLSLCN-IOAHRDFVSA-N 0 0 425.598 4.058 50 0 IIAARN Cc1ccccc1NC(=O)c1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000038489260 569463084 /nfs/dbraw/zinc/46/30/84/569463084.db2.gz PCYZEJFAJQNMKU-UHFFFAOYSA-N 0 0 440.521 4.204 50 0 IIAARN COc1ccc(OC)c([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)c1 ZINC000038546169 569463519 /nfs/dbraw/zinc/46/35/19/569463519.db2.gz STBKUSVJVKZQQY-OAQYLSRUSA-N 0 0 442.537 4.341 50 0 IIAARN O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205859 569464609 /nfs/dbraw/zinc/46/46/09/569464609.db2.gz CAOBKHBDGLWUEB-UHFFFAOYSA-N 0 0 429.835 4.278 50 0 IIAARN COc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1F ZINC000067216297 569464885 /nfs/dbraw/zinc/46/48/85/569464885.db2.gz NTWVFMHRBFSNDQ-UHFFFAOYSA-N 0 0 441.509 4.326 50 0 IIAARN CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1)c1cccc(C)c1 ZINC000067236647 569465435 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4.316 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(Cc5cccc(OC)c5)c(=O)n4ccn3n2)cc1 ZINC000067260507 569466361 /nfs/dbraw/zinc/46/63/61/569466361.db2.gz MKTVKRYSRBGZQY-UHFFFAOYSA-N 0 0 443.507 4.047 50 0 IIAARN CCCCOc1ccc(-c2cc3c4nn(Cc5cc(F)ccc5F)c(=O)n4ccn3n2)cc1 ZINC000067260530 569466425 /nfs/dbraw/zinc/46/64/25/569466425.db2.gz JJSUWQUXYPESJJ-UHFFFAOYSA-N 0 0 449.461 4.316 50 0 IIAARN Cc1cccc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)c1 ZINC000067261047 569466434 /nfs/dbraw/zinc/46/64/34/569466434.db2.gz NAQUKRUZEMLODC-UHFFFAOYSA-N 0 0 428.536 4.301 50 0 IIAARN Cn1c2ccccc2nc1C1CCC(CNC(=O)c2cncc(Br)c2)CC1 ZINC000038671766 569466571 /nfs/dbraw/zinc/46/65/71/569466571.db2.gz XSNOMSXNFRJNPO-UHFFFAOYSA-N 0 0 427.346 4.435 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038678511 569466640 /nfs/dbraw/zinc/46/66/40/569466640.db2.gz PGLTWGVSNDWPOA-UHFFFAOYSA-N 0 0 434.970 4.370 50 0 IIAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2F)CC1)N1CCCCC1 ZINC000067288164 569467418 /nfs/dbraw/zinc/46/74/18/569467418.db2.gz BKMXFDYVIBPZCG-UHFFFAOYSA-N 0 0 436.506 4.466 50 0 IIAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(Cl)cc4F)c3)n2)c1 ZINC000067289514 569467473 /nfs/dbraw/zinc/46/74/73/569467473.db2.gz XBPZOSOGTNXIBF-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F ZINC000067292371 569467730 /nfs/dbraw/zinc/46/77/30/569467730.db2.gz YLDWZLCKLJXKJV-MEFNAMQOSA-N 0 0 445.288 4.476 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067294193 569467833 /nfs/dbraw/zinc/46/78/33/569467833.db2.gz DNIXWPAHVMGJHP-AZFOCITKSA-N 0 0 430.863 4.375 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(F)cc3Cl)oc21 ZINC000067293953 569467862 /nfs/dbraw/zinc/46/78/62/569467862.db2.gz WXQQAOBGOVYQJB-AZFOCITKSA-N 0 0 430.863 4.375 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 ZINC000038728024 569468357 /nfs/dbraw/zinc/46/83/57/569468357.db2.gz QPYQAIIAHUQAKX-ROUUACIJSA-N 0 0 432.973 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ZINC000008705619 569470444 /nfs/dbraw/zinc/47/04/44/569470444.db2.gz KKQONKKCKFWKRK-UHFFFAOYSA-N 0 0 447.944 4.043 50 0 IIAARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc2c(c1)NC(=O)CO2 ZINC000008719153 569471390 /nfs/dbraw/zinc/47/13/90/569471390.db2.gz FRRZFRWEJHWLIT-UHFFFAOYSA-N 0 0 444.310 4.145 50 0 IIAARN O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008719491 569471416 /nfs/dbraw/zinc/47/14/16/569471416.db2.gz JHARHVILCDTAFO-OAHLLOKOSA-N 0 0 448.426 4.073 50 0 IIAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008719772 569471422 /nfs/dbraw/zinc/47/14/22/569471422.db2.gz ZDYMPDSKBHUBIR-LLVKDONJSA-N 0 0 445.342 4.057 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(SCc2cc(Br)ccc2OC)nc1 ZINC000008724642 569471996 /nfs/dbraw/zinc/47/19/96/569471996.db2.gz RPUYGOTZEVKVAZ-UHFFFAOYSA-N 0 0 445.404 4.176 50 0 IIAARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)NCCc1ccc(OC(F)F)cc1 ZINC000008726856 569472286 /nfs/dbraw/zinc/47/22/86/569472286.db2.gz KWWRPQSEULLPOU-UHFFFAOYSA-N 0 0 426.866 4.404 50 0 IIAARN Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)cc1 ZINC000008726998 569472364 /nfs/dbraw/zinc/47/23/64/569472364.db2.gz ATBBTDWNYPDJJM-QGZVFWFLSA-N 0 0 448.552 4.316 50 0 IIAARN COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000008729145 569472467 /nfs/dbraw/zinc/47/24/67/569472467.db2.gz XFFPVJHEOZEWOT-KGLIPLIRSA-N 0 0 438.355 4.138 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000008733861 569472512 /nfs/dbraw/zinc/47/25/12/569472512.db2.gz LQMFGQTWGPEGCE-HNNXBMFYSA-N 0 0 426.369 4.289 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000008733781 569472542 /nfs/dbraw/zinc/47/25/42/569472542.db2.gz DUWIOQHTLPSAGK-INIZCTEOSA-N 0 0 439.558 4.202 50 0 IIAARN O=C(C1c2ccccc2Oc2ccccc21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000008733780 569472554 /nfs/dbraw/zinc/47/25/54/569472554.db2.gz DUWIOQHTLPSAGK-MRXNPFEDSA-N 0 0 439.558 4.202 50 0 IIAARN CCCCOC[C@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000008740425 569472846 /nfs/dbraw/zinc/47/28/46/569472846.db2.gz QYVHMNFSAAPKOQ-ZQMYSKGWSA-N 0 0 444.553 4.476 50 0 biogenic IIAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008746819 569473111 /nfs/dbraw/zinc/47/31/11/569473111.db2.gz YCFQYAHFVCBMOI-UHFFFAOYSA-N 0 0 448.474 4.217 50 0 IIAARN COCCn1c(Cc2ccccc2)nnc1SCc1nc2sc(C)c(C)c2c(N)n1 ZINC000008747371 569473123 /nfs/dbraw/zinc/47/31/23/569473123.db2.gz CLHOIGFZONYVCQ-UHFFFAOYSA-N 0 0 440.598 4.011 50 0 IIAARN CCCOc1ccc(OCC(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 ZINC000008748288 569473240 /nfs/dbraw/zinc/47/32/40/569473240.db2.gz QLABKMSFBYKRBL-UHFFFAOYSA-N 0 0 439.537 4.253 50 0 IIAARN Cc1cc(Br)c(OCCn2cnc3ccccc3c2=O)c(Br)c1 ZINC000008750567 569473380 /nfs/dbraw/zinc/47/33/80/569473380.db2.gz JFOSCHVAWHOQBL-UHFFFAOYSA-N 0 0 438.119 4.309 50 0 IIAARN CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008751696 569473450 /nfs/dbraw/zinc/47/34/50/569473450.db2.gz SZLCTYHMAYRDDC-AREMUKBSSA-N 0 0 443.503 4.228 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CSC(=O)N2)cc1 ZINC000008752024 569473538 /nfs/dbraw/zinc/47/35/38/569473538.db2.gz AAWQCFKMBKBSOX-QFBILLFUSA-N 0 0 446.326 4.111 50 0 IIAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000008756855 569474105 /nfs/dbraw/zinc/47/41/05/569474105.db2.gz TVMMHSULPIBSME-UHFFFAOYSA-N 0 0 447.513 4.198 50 0 IIAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 ZINC000008776115 569475330 /nfs/dbraw/zinc/47/53/30/569475330.db2.gz VTARQSOAGJUOPZ-OAQYLSRUSA-N 0 0 445.544 4.330 50 0 IIAARN Cc1sc2ncn(CC(=O)N(CCc3ccccc3)Cc3cccs3)c(=O)c2c1C ZINC000008778263 569475444 /nfs/dbraw/zinc/47/54/44/569475444.db2.gz VEIJKGIXRYWFHF-UHFFFAOYSA-N 0 0 437.590 4.408 50 0 IIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000008780198 569475581 /nfs/dbraw/zinc/47/55/81/569475581.db2.gz YBPSWHAPHKVEPQ-UHFFFAOYSA-N 0 0 446.425 4.384 50 0 IIAARN CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008789379 569475933 /nfs/dbraw/zinc/47/59/33/569475933.db2.gz YOIYNKDARMAMBK-UDQFGIIBSA-N 0 0 448.600 4.070 50 0 biogenic IIAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1OC ZINC000008791453 569476218 /nfs/dbraw/zinc/47/62/18/569476218.db2.gz IODHYXKMHXRBJI-UHFFFAOYSA-N 0 0 437.492 4.403 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc2c(c1)OCCO2)OC(C)(C)CC3 ZINC000008791505 569476224 /nfs/dbraw/zinc/47/62/24/569476224.db2.gz BPEKEWMQYYMHAX-UHFFFAOYSA-N 0 0 435.476 4.157 50 0 biogenic IIAARN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N1CCCCCC1 ZINC000008826251 569477592 /nfs/dbraw/zinc/47/75/92/569477592.db2.gz IUUFHDCULSZPTA-UHFFFAOYSA-N 0 0 440.544 4.480 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827483 569477613 /nfs/dbraw/zinc/47/76/13/569477613.db2.gz XGROCWLDXUWXPF-NRFANRHFSA-N 0 0 426.428 4.033 50 0 IIAARN CCCOC(=O)c1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000008844355 569478579 /nfs/dbraw/zinc/47/85/79/569478579.db2.gz TWQJXNTWYLIBOL-UHFFFAOYSA-N 0 0 434.521 4.489 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000008851046 569479344 /nfs/dbraw/zinc/47/93/44/569479344.db2.gz QZROUAHXZJJNBR-UHFFFAOYSA-N 0 0 443.550 4.072 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 ZINC000008852827 569479493 /nfs/dbraw/zinc/47/94/93/569479493.db2.gz LUVDTQRNUFBPIP-UHFFFAOYSA-N 0 0 425.579 4.084 50 0 IIAARN COc1cc(CSc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc(OC)c1 ZINC000008853640 569479571 /nfs/dbraw/zinc/47/95/71/569479571.db2.gz UIPFQMLEGXTWDJ-UHFFFAOYSA-N 0 0 432.542 4.451 50 0 IIAARN O=C(COc1ccccc1Cc1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000008853328 569479589 /nfs/dbraw/zinc/47/95/89/569479589.db2.gz WVIAPRFBSKZZFV-UHFFFAOYSA-N 0 0 426.520 4.105 50 0 IIAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000008856159 569479736 /nfs/dbraw/zinc/47/97/36/569479736.db2.gz VBYDQOQBFNKMRN-UHFFFAOYSA-N 0 0 447.516 4.134 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc2NC1=O ZINC000008861440 569479980 /nfs/dbraw/zinc/47/99/80/569479980.db2.gz CSFKNTWLVSNKPO-OAHLLOKOSA-N 0 0 449.532 4.223 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000008861300 569479998 /nfs/dbraw/zinc/47/99/98/569479998.db2.gz DRFKYOLNWPCBQE-UHFFFAOYSA-N 0 0 430.489 4.092 50 0 IIAARN COc1cccc(N2C[C@@H](CNC(=O)NC(c3ccccc3)c3ccccc3)OC2=O)c1 ZINC000008867988 569480328 /nfs/dbraw/zinc/48/03/28/569480328.db2.gz IMTUMUGPKOJFHO-JOCHJYFZSA-N 0 0 431.492 4.109 50 0 IIAARN O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)NCc1cccc(-n2cccn2)c1 ZINC000039380450 569481511 /nfs/dbraw/zinc/48/15/11/569481511.db2.gz MXGHNBAIPGBWKC-DEOSSOPVSA-N 0 0 444.560 4.186 50 0 IIAARN O=C(CSc1nncn1C1CC1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000039539372 569481727 /nfs/dbraw/zinc/48/17/27/569481727.db2.gz MKFNTUZSKSVKTN-QGZVFWFLSA-N 0 0 433.493 4.422 50 0 IIAARN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000040005357 569482430 /nfs/dbraw/zinc/48/24/30/569482430.db2.gz TURBMGDMRFQURL-SNVBAGLBSA-N 0 0 447.335 4.390 50 0 IIAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C(c1ccccc1)c1ccccc1 ZINC000008882098 569482927 /nfs/dbraw/zinc/48/29/27/569482927.db2.gz OCADZRRAPCEVBG-UHFFFAOYSA-N 0 0 443.528 4.071 50 0 IIAARN Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000040040360 569483431 /nfs/dbraw/zinc/48/34/31/569483431.db2.gz FZKUPIDPLFLFSV-QHCPKHFHSA-N 0 0 445.544 4.072 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000008899953 569484115 /nfs/dbraw/zinc/48/41/15/569484115.db2.gz SKODYQKXWBAFKL-SFHVURJKSA-N 0 0 443.528 4.345 50 0 IIAARN CC1CCN(c2nnc(SCc3noc(-c4ccsc4)n3)n2C[C@@H]2CCCO2)CC1 ZINC000040057426 569484629 /nfs/dbraw/zinc/48/46/29/569484629.db2.gz ZDDRVDKCMSRBQL-INIZCTEOSA-N 0 0 446.602 4.097 50 0 IIAARN CC(C)c1c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cnn1-c1ccc(F)cc1 ZINC000040070187 569485597 /nfs/dbraw/zinc/48/55/97/569485597.db2.gz ZOWZGPHYYPAKPE-UHFFFAOYSA-N 0 0 434.515 4.299 50 0 IIAARN Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)c(C)c1 ZINC000008916811 569485879 /nfs/dbraw/zinc/48/58/79/569485879.db2.gz IHYYINDJOFKGAA-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000040081842 569486611 /nfs/dbraw/zinc/48/66/11/569486611.db2.gz RTYAFBNYAOFSTP-QHCPKHFHSA-N 0 0 437.547 4.413 50 0 IIAARN Cc1cc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)n(-c2ccccc2)n1 ZINC000008936324 569488055 /nfs/dbraw/zinc/48/80/55/569488055.db2.gz DKAALKHPEUNKLG-UHFFFAOYSA-N 0 0 428.540 4.054 50 0 IIAARN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000040113045 569488986 /nfs/dbraw/zinc/48/89/86/569488986.db2.gz KBXBTOFLRBQFSJ-ZHRRBRCNSA-N 0 0 425.960 4.252 50 0 IIAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)n1 ZINC000040122449 569489630 /nfs/dbraw/zinc/48/96/30/569489630.db2.gz QREMXDLXGYXOCR-UHFFFAOYSA-N 0 0 432.455 4.365 50 0 IIAARN CCc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c3nc(C)sc32)cc1 ZINC000008956089 569490248 /nfs/dbraw/zinc/49/02/48/569490248.db2.gz IWRSATUYOFNVBM-UHFFFAOYSA-N 0 0 440.475 4.308 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c(OC)c1 ZINC000008959803 569490329 /nfs/dbraw/zinc/49/03/29/569490329.db2.gz VHJDVBQCWHEDLW-UHFFFAOYSA-N 0 0 426.513 4.364 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1F ZINC000008961476 569491041 /nfs/dbraw/zinc/49/10/41/569491041.db2.gz QQOWGJSFMFBFLK-UHFFFAOYSA-N 0 0 442.468 4.326 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCCc1ccccc1 ZINC000008965200 569491347 /nfs/dbraw/zinc/49/13/47/569491347.db2.gz OEMPDSQSXJDJRS-HXUWFJFHSA-N 0 0 428.536 4.114 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1ccc(F)cc1 ZINC000008965353 569491417 /nfs/dbraw/zinc/49/14/17/569491417.db2.gz INZLIEXQEMKZBC-UHFFFAOYSA-N 0 0 432.499 4.040 50 0 IIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000008965619 569491474 /nfs/dbraw/zinc/49/14/74/569491474.db2.gz MWWYATVNEQNGCV-GFCCVEGCSA-N 0 0 449.985 4.224 50 0 IIAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000008966355 569491768 /nfs/dbraw/zinc/49/17/68/569491768.db2.gz WEFSQMSUGISMGV-LSDHHAIUSA-N 0 0 428.533 4.401 50 0 IIAARN COc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000008966354 569491791 /nfs/dbraw/zinc/49/17/91/569491791.db2.gz WEFSQMSUGISMGV-CABCVRRESA-N 0 0 428.533 4.401 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000040145190 569492087 /nfs/dbraw/zinc/49/20/87/569492087.db2.gz DOSFCJTZBFGUKB-UHFFFAOYSA-N 0 0 429.567 4.331 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 ZINC000040146152 569492235 /nfs/dbraw/zinc/49/22/35/569492235.db2.gz GJQQTLQFKHWGGC-BIUIZQBUSA-N 0 0 436.600 4.489 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 ZINC000040146721 569492359 /nfs/dbraw/zinc/49/23/59/569492359.db2.gz BQYMTKRXGPDXDH-QFIPXVFZSA-N 0 0 449.555 4.388 50 0 IIAARN O=C1c2ccccc2C(=O)N1CC1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000040149363 569492451 /nfs/dbraw/zinc/49/24/51/569492451.db2.gz AQRYLMKAEMHUBL-UHFFFAOYSA-N 0 0 449.514 4.204 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccnc1)c1ccc(Cl)cc1 ZINC000008979417 569493005 /nfs/dbraw/zinc/49/30/05/569493005.db2.gz GRWCKGKIUMBDNS-INIZCTEOSA-N 0 0 426.929 4.180 50 0 IIAARN O=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 ZINC000008979970 569493128 /nfs/dbraw/zinc/49/31/28/569493128.db2.gz HXJIIJGJKVUYHS-UHFFFAOYSA-N 0 0 443.479 4.028 50 0 IIAARN Cc1cccc(NC(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)CC2)c1 ZINC000040150343 569493132 /nfs/dbraw/zinc/49/31/32/569493132.db2.gz KTPNPNFPPFTSEL-QFIPXVFZSA-N 0 0 442.991 4.311 50 0 IIAARN O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000040155082 569493827 /nfs/dbraw/zinc/49/38/27/569493827.db2.gz NRSDUWPOSWFSRJ-UHFFFAOYSA-N 0 0 442.450 4.199 50 0 IIAARN Cc1cccc(C)c1OCC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000040156038 569494021 /nfs/dbraw/zinc/49/40/21/569494021.db2.gz KJOURLPYJGKZLX-UHFFFAOYSA-N 0 0 432.358 4.309 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cn2cc(-c3ccccc3)oc2=S)CC1 ZINC000040158201 569494494 /nfs/dbraw/zinc/49/44/94/569494494.db2.gz MAOJBVCWHNGCCG-UHFFFAOYSA-N 0 0 436.581 4.308 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)NCc4cccc(Cl)c4)c(=O)c23)s1 ZINC000008988586 569494923 /nfs/dbraw/zinc/49/49/23/569494923.db2.gz DOTLXGUXIVAWKL-UHFFFAOYSA-N 0 0 429.954 4.465 50 0 IIAARN CC1(C)Cc2c(sc3c2c2nc(-c4ccncc4)nn2c(=O)n3Cc2ccccc2)CO1 ZINC000008990646 569494990 /nfs/dbraw/zinc/49/49/90/569494990.db2.gz JJPJUXIHJYZCMG-UHFFFAOYSA-N 0 0 443.532 4.067 50 0 IIAARN Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccc(Cl)cc1Cl ZINC000008993508 569495413 /nfs/dbraw/zinc/49/54/13/569495413.db2.gz SMTGRQVSPXXJLU-IBGZPJMESA-N 0 0 426.307 4.250 50 0 IIAARN C[C@@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009031699 569497141 /nfs/dbraw/zinc/49/71/41/569497141.db2.gz WXKGDKSEVIRYPK-QGZVFWFLSA-N 0 0 433.460 4.221 50 0 IIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ncc(C)s3)c3ccccc3C(=O)N2C)cc1OC ZINC000040284939 569498012 /nfs/dbraw/zinc/49/80/12/569498012.db2.gz WCEHIMUZSCTVFI-UXHICEINSA-N 0 0 437.521 4.018 50 0 IIAARN CC(C)c1cc2c(nc(CSCC(=O)NCCc3c[nH]c4ccccc34)[nH]c2=O)s1 ZINC000040288470 569498466 /nfs/dbraw/zinc/49/84/66/569498466.db2.gz TVMPLZQYFUOCCZ-UHFFFAOYSA-N 0 0 440.594 4.181 50 0 IIAARN Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1C ZINC000009049772 569498558 /nfs/dbraw/zinc/49/85/58/569498558.db2.gz OXIOFRYARFONAP-OAHLLOKOSA-N 0 0 448.445 4.042 50 0 IIAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4s3)cc1)C2=O ZINC000009056619 569499107 /nfs/dbraw/zinc/49/91/07/569499107.db2.gz UKDRQTAQYZZASF-MYYSRTQBSA-N 0 0 448.548 4.403 50 0 IIAARN C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc2c(c1)OCCO2 ZINC000009057986 569499203 /nfs/dbraw/zinc/49/92/03/569499203.db2.gz IFZSWNPDQLDYOY-QGZVFWFLSA-N 0 0 429.476 4.176 50 0 IIAARN C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCCO3 ZINC000009059062 569499365 /nfs/dbraw/zinc/49/93/65/569499365.db2.gz OQKGQFDXLCLEES-LBPRGKRZSA-N 0 0 428.337 4.463 50 0 IIAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCc4c[nH]cn4)c(=O)oc12)CCCC3 ZINC000009060020 569499414 /nfs/dbraw/zinc/49/94/14/569499414.db2.gz CWTBUNILEZXTHY-UHFFFAOYSA-N 0 0 433.508 4.049 50 0 IIAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCCc2ccccc2)CO1 ZINC000009060954 569499563 /nfs/dbraw/zinc/49/95/63/569499563.db2.gz HJVWZXSDHMHRLL-UHFFFAOYSA-N 0 0 447.560 4.093 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009072635 569500141 /nfs/dbraw/zinc/50/01/41/569500141.db2.gz SAMIIHKZWTXXFP-GOSISDBHSA-N 0 0 434.521 4.412 50 0 IIAARN COc1cc2c(cc1OC)-c1cc(Nc3ccc(Cc4ccncc4)cc3)nc(=O)n1CC2 ZINC000009089707 569501002 /nfs/dbraw/zinc/50/10/02/569501002.db2.gz CEXCTUFSUBAJMY-UHFFFAOYSA-N 0 0 440.503 4.213 50 0 IIAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC ZINC000040400279 569501563 /nfs/dbraw/zinc/50/15/63/569501563.db2.gz WGBXABYTGCMHQL-WOJBJXKFSA-N 0 0 444.959 4.129 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCc2cccs2)cc1 ZINC000009100915 569501749 /nfs/dbraw/zinc/50/17/49/569501749.db2.gz IYVUKABZHOYVKQ-MRXNPFEDSA-N 0 0 427.551 4.202 50 0 IIAARN C[C@@H](NC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 ZINC000009104012 569501783 /nfs/dbraw/zinc/50/17/83/569501783.db2.gz GYDDOLDEUITNMM-PBHICJAKSA-N 0 0 449.532 4.421 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)c1 ZINC000009109312 569501912 /nfs/dbraw/zinc/50/19/12/569501912.db2.gz DRNPPYGUROOWBH-CQSZACIVSA-N 0 0 437.883 4.312 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)c(OC)c1 ZINC000009115447 569502764 /nfs/dbraw/zinc/50/27/64/569502764.db2.gz MUQKZPIGKQRUTL-PMERELPUSA-N 0 0 447.940 4.231 50 0 IIAARN O=C(NCCc1ccccc1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000009117245 569503114 /nfs/dbraw/zinc/50/31/14/569503114.db2.gz SJHSVBIKKPMVLB-UHFFFAOYSA-N 0 0 449.555 4.172 50 0 IIAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)cc1 ZINC000009117572 569503186 /nfs/dbraw/zinc/50/31/86/569503186.db2.gz NRJJVWRKMMKXOU-LJQANCHMSA-N 0 0 449.555 4.438 50 0 IIAARN CCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000009118272 569503280 /nfs/dbraw/zinc/50/32/80/569503280.db2.gz PPQASKYBNNVGTN-UHFFFAOYSA-N 0 0 427.545 4.057 50 0 IIAARN COc1ccc(-n2c(SC[C@H]3COc4ccccc4O3)nnc2-c2ccncc2)cc1 ZINC000009118597 569503404 /nfs/dbraw/zinc/50/34/04/569503404.db2.gz VNEKXKMGBPBFQM-LJQANCHMSA-N 0 0 432.505 4.270 50 0 IIAARN C[C@@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000245343335 569504486 /nfs/dbraw/zinc/50/44/86/569504486.db2.gz MAKXOYHQYOAWGZ-XKPGHWPRSA-N 0 0 449.016 4.171 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 ZINC000009125400 569504619 /nfs/dbraw/zinc/50/46/19/569504619.db2.gz FAWONUPPRRHAPP-UHFFFAOYSA-N 0 0 436.512 4.237 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CCc1cccs1 ZINC000009125431 569504671 /nfs/dbraw/zinc/50/46/71/569504671.db2.gz KMDFNQZOYJEWOK-DEOSSOPVSA-N 0 0 435.549 4.059 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccccc2OC)cc1 ZINC000009126097 569504808 /nfs/dbraw/zinc/50/48/08/569504808.db2.gz SNBVFJYTEJIKOZ-UHFFFAOYSA-N 0 0 433.508 4.027 50 0 IIAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000009126527 569504994 /nfs/dbraw/zinc/50/49/94/569504994.db2.gz OJOUFJVOJYSICC-UHFFFAOYSA-N 0 0 449.576 4.116 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2N2CCCC2)cc1 ZINC000009127446 569505181 /nfs/dbraw/zinc/50/51/81/569505181.db2.gz CBGHGBXCGGTGSB-UHFFFAOYSA-N 0 0 443.569 4.225 50 0 IIAARN COc1ccc(-c2c(NC(=O)CN3CCC[C@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129556 569505768 /nfs/dbraw/zinc/50/57/68/569505768.db2.gz RVELSBJYJSGGRJ-INIZCTEOSA-N 0 0 436.508 4.148 50 0 IIAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1nc(-c2ccccc2)no1 ZINC000069454744 569506650 /nfs/dbraw/zinc/50/66/50/569506650.db2.gz MCGGDUHEKLYJCV-HNNXBMFYSA-N 0 0 430.555 4.160 50 0 IIAARN Cc1ccccc1OCc1nc(-c2ccccc2OCC(=O)NCc2ccccc2)no1 ZINC000040488364 569506871 /nfs/dbraw/zinc/50/68/71/569506871.db2.gz GKEAGKNCOHGRFE-UHFFFAOYSA-N 0 0 429.476 4.319 50 0 IIAARN COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(C)cc3)nc21 ZINC000009132173 569506952 /nfs/dbraw/zinc/50/69/52/569506952.db2.gz GGRGHMUWAFIMJK-SFHVURJKSA-N 0 0 435.549 4.101 50 0 IIAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)cc1 ZINC000009132247 569506960 /nfs/dbraw/zinc/50/69/60/569506960.db2.gz WWAJHNVPGPKJOC-QGZVFWFLSA-N 0 0 435.505 4.159 50 0 IIAARN CCCn1c2ccccc2c2cnn(CC(=O)N(Cc3ccco3)C3CCCC3)c(=O)c21 ZINC000009153440 569508116 /nfs/dbraw/zinc/50/81/16/569508116.db2.gz QTPVIMLOKRWGEW-UHFFFAOYSA-N 0 0 432.524 4.326 50 0 IIAARN Cc1cc(OCc2nc(S[C@H](C(=O)NC3CC3)c3ccccc3)n[nH]2)ccc1Cl ZINC000009155615 569508299 /nfs/dbraw/zinc/50/82/99/569508299.db2.gz NBXVAYURVKEWAZ-IBGZPJMESA-N 0 0 428.945 4.458 50 0 IIAARN COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000009158336 569508497 /nfs/dbraw/zinc/50/84/97/569508497.db2.gz QAEKBESWASVBTP-QFIPXVFZSA-N 0 0 431.444 4.462 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000069600442 569509001 /nfs/dbraw/zinc/50/90/01/569509001.db2.gz KYSOYEGADLOYTP-UHFFFAOYSA-N 0 0 428.939 4.372 50 0 IIAARN CC(C)CN1c2ccc(NS(=O)(=O)CCc3ccccc3)cc2OCC(C)(C)C1=O ZINC000009168291 569509141 /nfs/dbraw/zinc/50/91/41/569509141.db2.gz DTOIVCSVEKAKPQ-UHFFFAOYSA-N 0 0 430.570 4.079 50 0 IIAARN CC(C)CCN1c2cc(NS(=O)(=O)CCc3ccccc3)ccc2OCC(C)(C)C1=O ZINC000009174266 569509656 /nfs/dbraw/zinc/50/96/56/569509656.db2.gz NMLOSAWBZJOZGN-UHFFFAOYSA-N 0 0 444.597 4.469 50 0 IIAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2cc(C)ccc2C)c1=O ZINC000009185182 569510084 /nfs/dbraw/zinc/51/00/84/569510084.db2.gz VNIQDYFZJIEGDB-UHFFFAOYSA-N 0 0 445.342 4.225 50 0 IIAARN COc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000009189898 569510529 /nfs/dbraw/zinc/51/05/29/569510529.db2.gz RKYVKYBCFUIXES-SANMLTNESA-N 0 0 439.515 4.347 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000009190517 569510592 /nfs/dbraw/zinc/51/05/92/569510592.db2.gz GMWRNJHMAVLVHT-UHFFFAOYSA-N 0 0 447.364 4.431 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009192128 569510713 /nfs/dbraw/zinc/51/07/13/569510713.db2.gz UWIDVIKPOUIBLX-OAQYLSRUSA-N 0 0 444.418 4.172 50 0 IIAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC ZINC000009193230 569510811 /nfs/dbraw/zinc/51/08/11/569510811.db2.gz OCNXGNGEUPVFAC-QFIPXVFZSA-N 0 0 428.444 4.263 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009193142 569510829 /nfs/dbraw/zinc/51/08/29/569510829.db2.gz UJAXHLBHKRGUBO-QFIPXVFZSA-N 0 0 440.455 4.341 50 0 IIAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ncc(Br)s3)ccc2c1 ZINC000009193532 569510897 /nfs/dbraw/zinc/51/08/97/569510897.db2.gz ZHJPRGFJLNVNBA-NSHDSACASA-N 0 0 449.326 4.353 50 0 IIAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009198025 569511027 /nfs/dbraw/zinc/51/10/27/569511027.db2.gz JCGZQFHBUJOHCY-RTBURBONSA-N 0 0 443.960 4.290 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1CC)S2 ZINC000009198088 569511050 /nfs/dbraw/zinc/51/10/50/569511050.db2.gz YGFZMCMHNGJCAQ-RBUKOAKNSA-N 0 0 427.961 4.454 50 0 IIAARN COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009211022 569511758 /nfs/dbraw/zinc/51/17/58/569511758.db2.gz ANYMBSWGUYKRSB-QFIPXVFZSA-N 0 0 428.444 4.263 50 0 IIAARN Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000009211742 569511839 /nfs/dbraw/zinc/51/18/39/569511839.db2.gz ZYBPOILALHDHEE-KRWDZBQOSA-N 0 0 441.524 4.239 50 0 biogenic IIAARN Cc1oc(-c2ccc(C(=O)NCc3ccccn3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212011 569511931 /nfs/dbraw/zinc/51/19/31/569511931.db2.gz JYICMGSCAPRIKL-WJOKGBTCSA-N 0 0 431.517 4.283 50 0 IIAARN C[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009220881 569512597 /nfs/dbraw/zinc/51/25/97/569512597.db2.gz QXUBIBRXEZOTOB-LBPRGKRZSA-N 0 0 446.374 4.420 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000009218383 569512363 /nfs/dbraw/zinc/51/23/63/569512363.db2.gz SLWRHZAEEJLXFP-HXUWFJFHSA-N 0 0 439.562 4.298 50 0 IIAARN O=C(Cn1nnc(-c2ccsc2)n1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009218817 569512433 /nfs/dbraw/zinc/51/24/33/569512433.db2.gz CQZSUNULVYAGHC-KRWDZBQOSA-N 0 0 438.900 4.026 50 0 IIAARN Cc1cccc(Oc2ccccc2NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000009220525 569512576 /nfs/dbraw/zinc/51/25/76/569512576.db2.gz ZDSHSICVOZUAJO-UHFFFAOYSA-N 0 0 443.425 4.371 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 ZINC000009220920 569512592 /nfs/dbraw/zinc/51/25/92/569512592.db2.gz RXSMEFPAUXDMBT-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN COCCCNC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000009229208 569513725 /nfs/dbraw/zinc/51/37/25/569513725.db2.gz FPAIVJIFWWRPRH-UHFFFAOYSA-N 0 0 439.581 4.005 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009236846 569514159 /nfs/dbraw/zinc/51/41/59/569514159.db2.gz BIDCRGJSUFAJCJ-DLBZAZTESA-N 0 0 449.458 4.012 50 0 IIAARN COc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009238224 569514240 /nfs/dbraw/zinc/51/42/40/569514240.db2.gz GWHJHCBGADFOKO-RTWAWAEBSA-N 0 0 443.532 4.352 50 0 IIAARN CCN(CC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 ZINC000009238831 569514403 /nfs/dbraw/zinc/51/44/03/569514403.db2.gz SXYDSIFMTJAZET-MSOLQXFVSA-N 0 0 427.961 4.226 50 0 IIAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCCCC2)cc1 ZINC000009238860 569514412 /nfs/dbraw/zinc/51/44/12/569514412.db2.gz SRYZYCUAVQNCFZ-SFTDATJTSA-N 0 0 449.580 4.115 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239382 569514501 /nfs/dbraw/zinc/51/45/01/569514501.db2.gz LUGFJCBLDYNHQF-ZWKOTPCHSA-N 0 0 431.924 4.421 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239418 569514537 /nfs/dbraw/zinc/51/45/37/569514537.db2.gz DLABMWUSQFWCPX-OALUTQOASA-N 0 0 443.960 4.290 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239519 569514551 /nfs/dbraw/zinc/51/45/51/569514551.db2.gz RBSBVIDDWMQXEM-WOJBJXKFSA-N 0 0 441.532 4.166 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(OCC)cc1)S2 ZINC000009239657 569514553 /nfs/dbraw/zinc/51/45/53/569514553.db2.gz ZOLHXFBENUULKC-SFTDATJTSA-N 0 0 437.569 4.336 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(OCC)cc1)S2 ZINC000009239653 569514556 /nfs/dbraw/zinc/51/45/56/569514556.db2.gz ZOLHXFBENUULKC-NHCUHLMSSA-N 0 0 437.569 4.336 50 0 IIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1 ZINC000009243558 569514912 /nfs/dbraw/zinc/51/49/12/569514912.db2.gz OUSWAEPCTOQSGT-UHFFFAOYSA-N 0 0 436.899 4.316 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000009245101 569515222 /nfs/dbraw/zinc/51/52/22/569515222.db2.gz KCPWSHNPJGHDBI-NRFANRHFSA-N 0 0 441.487 4.118 50 0 IIAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]c2ccccc12 ZINC000009245257 569515269 /nfs/dbraw/zinc/51/52/69/569515269.db2.gz DNCFBEGBSVOBBO-UHFFFAOYSA-N 0 0 434.473 4.008 50 0 IIAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 ZINC000009249894 569515565 /nfs/dbraw/zinc/51/55/65/569515565.db2.gz BWXILAITEJNGJY-OAHLLOKOSA-N 0 0 427.476 4.133 50 0 IIAARN Cn1c(SCc2ccccc2Cl)nc(=O)c2c1NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000009249920 569515614 /nfs/dbraw/zinc/51/56/14/569515614.db2.gz JKBNAKIZXDWPJS-AWEZNQCLSA-N 0 0 447.894 4.478 50 0 IIAARN C=C1C(Nc2cccc(C(=O)OCC)c2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009251804 569515964 /nfs/dbraw/zinc/51/59/64/569515964.db2.gz DLCYRSFJUIOPQS-UHFFFAOYSA-N 0 0 449.326 4.211 50 0 IIAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCN1C(=O)SC(=Cc2ccccc2)C1=O ZINC000009253190 569516126 /nfs/dbraw/zinc/51/61/26/569516126.db2.gz SHKWQQFLYBZTKN-DEDYPNTBSA-N 0 0 447.516 4.025 50 0 IIAARN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000009253857 569516230 /nfs/dbraw/zinc/51/62/30/569516230.db2.gz SRCVCWCBDAPWCD-LIFICJDPSA-N 0 0 433.533 4.428 50 0 IIAARN COc1ccc(-c2nc(NC(=O)CCCOc3ccc(Cl)c(C)c3)n[nH]2)cc1OC ZINC000009254917 569516429 /nfs/dbraw/zinc/51/64/29/569516429.db2.gz FUHZFJBYEJKCHY-UHFFFAOYSA-N 0 0 430.892 4.248 50 0 IIAARN Cc1ccc(NC(=O)[C@H](Sc2nnnn2C[C@@H]2CCCO2)c2ccccc2)cc1Cl ZINC000009255324 569516519 /nfs/dbraw/zinc/51/65/19/569516519.db2.gz PUSCAEKGGZRPKJ-PKOBYXMFSA-N 0 0 443.960 4.286 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009256225 569516682 /nfs/dbraw/zinc/51/66/82/569516682.db2.gz JQQLKGNYNOOYAS-OAQYLSRUSA-N 0 0 436.552 4.239 50 0 IIAARN CCCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000009257232 569516842 /nfs/dbraw/zinc/51/68/42/569516842.db2.gz KBCVEGSIZSJOIE-AWEZNQCLSA-N 0 0 427.595 4.154 50 0 IIAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000009268026 569517514 /nfs/dbraw/zinc/51/75/14/569517514.db2.gz KDUFALGHRPWUQR-UHFFFAOYSA-N 0 0 443.478 4.276 50 0 IIAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3nc(C)ccc3c2=O)cc1 ZINC000009268097 569517538 /nfs/dbraw/zinc/51/75/38/569517538.db2.gz RXZMWBHZUCRMRZ-UHFFFAOYSA-N 0 0 439.515 4.445 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H](C)S2 ZINC000009276333 569518400 /nfs/dbraw/zinc/51/84/00/569518400.db2.gz IYYWMXAEHFUARP-SNVBAGLBSA-N 0 0 429.489 4.050 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2nc3sc4c(c3c(N)n2)CCCC4)c1C ZINC000009283359 569518838 /nfs/dbraw/zinc/51/88/38/569518838.db2.gz HPYKIYWUXULSMZ-UHFFFAOYSA-N 0 0 430.599 4.192 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(OC)c1 ZINC000009283295 569518849 /nfs/dbraw/zinc/51/88/49/569518849.db2.gz VGWXXFVLOWKUJE-UHFFFAOYSA-N 0 0 445.475 4.147 50 0 IIAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1OC(F)F ZINC000009284898 569519133 /nfs/dbraw/zinc/51/91/33/569519133.db2.gz JZRVQSMXJUJRKX-UHFFFAOYSA-N 0 0 440.402 4.336 50 0 IIAARN COc1ccccc1/C=C/C(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1OC ZINC000009288944 569519488 /nfs/dbraw/zinc/51/94/88/569519488.db2.gz PPYMAQBHYGFVRB-BUHFOSPRSA-N 0 0 441.491 4.323 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000009304152 569521117 /nfs/dbraw/zinc/52/11/17/569521117.db2.gz VRSIDVBGOYHAJN-AWEZNQCLSA-N 0 0 442.541 4.110 50 0 IIAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000009307072 569521377 /nfs/dbraw/zinc/52/13/77/569521377.db2.gz MCTQVXGQMRKITL-UHFFFAOYSA-N 0 0 427.892 4.398 50 0 IIAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000009307096 569521396 /nfs/dbraw/zinc/52/13/96/569521396.db2.gz ULEBGRJPQWCXFL-UHFFFAOYSA-N 0 0 425.901 4.208 50 0 IIAARN Cc1cccc(NC(=O)[C@H](C)n2cnc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)c1 ZINC000009308937 569521580 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/nfs/dbraw/zinc/54/33/08/569543308.db2.gz QLFHIZDLFWGBJU-UHFFFAOYSA-N 0 0 448.531 4.146 50 0 IIAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000009517682 569543668 /nfs/dbraw/zinc/54/36/68/569543668.db2.gz SPKOPVXAHKNYCP-UHFFFAOYSA-N 0 0 427.892 4.017 50 0 IIAARN Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000009518160 569543932 /nfs/dbraw/zinc/54/39/32/569543932.db2.gz UPNVRVPNBKOZOV-UHFFFAOYSA-N 0 0 439.299 4.343 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1F)NC1CCCC1 ZINC000009518298 569544032 /nfs/dbraw/zinc/54/40/32/569544032.db2.gz BCRYRLYAEMGKRD-UHFFFAOYSA-N 0 0 436.512 4.157 50 0 IIAARN CSc1nc2c3c(sc2c2nnc(SCC(=O)Nc4nccs4)n21)CCCC3 ZINC000009530500 569545003 /nfs/dbraw/zinc/54/50/03/569545003.db2.gz UTKSNCDNAIZPSW-UHFFFAOYSA-N 0 0 448.624 4.127 50 0 IIAARN Cc1nc2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)cc2s1 ZINC000009534216 569545506 /nfs/dbraw/zinc/54/55/06/569545506.db2.gz YUIBILYCJHOUEB-DEOSSOPVSA-N 0 0 444.516 4.164 50 0 IIAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)NC4CCCC4)ccc3c2=O)cc1OC ZINC000009547970 569546454 /nfs/dbraw/zinc/54/64/54/569546454.db2.gz NAYXPHMERDYIBJ-UHFFFAOYSA-N 0 0 437.492 4.223 50 0 biogenic IIAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)Nc2nccs2)C[C@H](C)S3)c1 ZINC000009560169 569547040 /nfs/dbraw/zinc/54/70/40/569547040.db2.gz SOUAQHWZZHBHBJ-ZDUSSCGKSA-N 0 0 444.607 4.073 50 0 IIAARN Cc1nnc2c(NCc3ccc4c(c3)OCO4)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000009561371 569547105 /nfs/dbraw/zinc/54/71/05/569547105.db2.gz OARKQUQBJCWZJT-UHFFFAOYSA-N 0 0 437.459 4.158 50 0 IIAARN COc1ccc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1OC ZINC000009568898 569547468 /nfs/dbraw/zinc/54/74/68/569547468.db2.gz ZNUOONLAPHZIPM-UHFFFAOYSA-N 0 0 442.928 4.101 50 0 IIAARN CCOc1ccccc1C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009568916 569547477 /nfs/dbraw/zinc/54/74/77/569547477.db2.gz CIRARIALLQHWMD-UHFFFAOYSA-N 0 0 426.929 4.482 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1 ZINC000009572643 569547813 /nfs/dbraw/zinc/54/78/13/569547813.db2.gz GCWIKFMTLCNYMW-UHFFFAOYSA-N 0 0 437.473 4.278 50 0 IIAARN COc1ccc(OC)c(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573591 569547893 /nfs/dbraw/zinc/54/78/93/569547893.db2.gz FAVXIWMOQIYPCI-GOSISDBHSA-N 0 0 446.511 4.167 50 0 IIAARN O=C(Nc1cccc2ncccc21)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009575626 569547993 /nfs/dbraw/zinc/54/79/93/569547993.db2.gz MKIZBSSDLTXGBO-UHFFFAOYSA-N 0 0 443.528 4.234 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)c2cn(C3CC3)c3c(cc(F)c(F)c3OC)c2=O)cc1 ZINC000009575893 569547997 /nfs/dbraw/zinc/54/79/97/569547997.db2.gz ZWOJSTDDBOZAAW-UHFFFAOYSA-N 0 0 442.418 4.052 50 0 IIAARN CC1(C)Cc2c(sc3c2c2nc(-c4ccco4)nn2c(=O)n3Cc2ccccc2)CO1 ZINC000009576938 569548195 /nfs/dbraw/zinc/54/81/95/569548195.db2.gz ZNXFUJYCWBUBCD-UHFFFAOYSA-N 0 0 432.505 4.265 50 0 IIAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2o1 ZINC000009579382 569548507 /nfs/dbraw/zinc/54/85/07/569548507.db2.gz NDYWXSIMCIHBID-CQSZACIVSA-N 0 0 432.929 4.362 50 0 IIAARN O=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009579868 569548545 /nfs/dbraw/zinc/54/85/45/569548545.db2.gz DOGUTHAQTFZIBV-JOCHJYFZSA-N 0 0 444.531 4.204 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1OC ZINC000009580164 569548718 /nfs/dbraw/zinc/54/87/18/569548718.db2.gz SRESKURJBMVPGY-HXUWFJFHSA-N 0 0 432.407 4.094 50 0 IIAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3cc(OC)ccc3OC)C2=O)c1 ZINC000009580612 569548821 /nfs/dbraw/zinc/54/88/21/569548821.db2.gz XJUPWCATFBBFES-RCCKNPSSSA-N 0 0 430.460 4.352 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C(C)C)cc1 ZINC000009582900 569549256 /nfs/dbraw/zinc/54/92/56/569549256.db2.gz QPSNHFZPIMJADU-UHFFFAOYSA-N 0 0 440.525 4.037 50 0 IIAARN CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009583455 569549259 /nfs/dbraw/zinc/54/92/59/569549259.db2.gz XLLVSEPIFADFFC-LLVKDONJSA-N 0 0 433.436 4.066 50 0 IIAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009584272 569549381 /nfs/dbraw/zinc/54/93/81/569549381.db2.gz FCDMIRAFKZQUOB-VWLOTQADSA-N 0 0 434.492 4.113 50 0 IIAARN C[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000009590197 569550009 /nfs/dbraw/zinc/55/00/09/569550009.db2.gz RJURFXMSJRZCJM-YOEHRIQHSA-N 0 0 439.537 4.330 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cn1ccccc1=O ZINC000009593781 569550489 /nfs/dbraw/zinc/55/04/89/569550489.db2.gz AZSUZDPXXJXHDU-UHFFFAOYSA-N 0 0 432.911 4.013 50 0 IIAARN COC(=O)[C@H](CCSC)NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21 ZINC000070666422 569550628 /nfs/dbraw/zinc/55/06/28/569550628.db2.gz HHNSFSLMXTYHPB-NRFANRHFSA-N 0 0 440.565 4.021 50 0 biogenic IIAARN CCCN(C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1=CCCC1 ZINC000009594698 569550657 /nfs/dbraw/zinc/55/06/57/569550657.db2.gz OCHKTOSKMALWRW-MHZLTWQESA-N 0 0 445.563 4.405 50 0 IIAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C)c1)c(=O)n2CC(=O)Nc1ccc(C)cc1 ZINC000009599110 569551158 /nfs/dbraw/zinc/55/11/58/569551158.db2.gz IONFKZNSNGLOMX-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN CCOc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc(OCC)c1OCC ZINC000009599651 569551317 /nfs/dbraw/zinc/55/13/17/569551317.db2.gz YIDMWUYTELMCNT-UHFFFAOYSA-N 0 0 430.482 4.473 50 0 IIAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000009601339 569551626 /nfs/dbraw/zinc/55/16/26/569551626.db2.gz UFJQHCPLPGWINQ-UHFFFAOYSA-N 0 0 431.587 4.496 50 0 IIAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc(Cl)cc1 ZINC000009603157 569551801 /nfs/dbraw/zinc/55/18/01/569551801.db2.gz VZKWTSKLMOBDAL-UHFFFAOYSA-N 0 0 445.862 4.191 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c1 ZINC000009610446 569552520 /nfs/dbraw/zinc/55/25/20/569552520.db2.gz KVMDYHWWVHGPRI-UHFFFAOYSA-N 0 0 430.508 4.293 50 0 IIAARN CCOc1ccc2nc(NC(=O)c3cc4c(c5ccccc5n(C)c4=O)n3C)sc2c1 ZINC000009611098 569552691 /nfs/dbraw/zinc/55/26/91/569552691.db2.gz HCZQWKBKFJPPKU-UHFFFAOYSA-N 0 0 432.505 4.291 50 0 IIAARN CC(C)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000009613231 569552956 /nfs/dbraw/zinc/55/29/56/569552956.db2.gz WVHXBDUDKIUOHH-UHFFFAOYSA-N 0 0 435.471 4.269 50 0 IIAARN O=C(Nc1ccc(Br)cc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009615151 569553127 /nfs/dbraw/zinc/55/31/27/569553127.db2.gz RNIUGJMJIUPUHZ-UHFFFAOYSA-N 0 0 432.698 4.187 50 0 IIAARN CCOc1ccc2nc(NC(=O)Cc3csc(NC(=O)NC4CCCC4)n3)sc2c1 ZINC000009626468 569553531 /nfs/dbraw/zinc/55/35/31/569553531.db2.gz ZRJWPFKRZPUQCK-UHFFFAOYSA-N 0 0 445.570 4.397 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000009631901 569553862 /nfs/dbraw/zinc/55/38/62/569553862.db2.gz ODDWAURTJZTYTO-UHFFFAOYSA-N 0 0 449.967 4.434 50 0 IIAARN Cc1ccc(C)c(C(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)c1 ZINC000009632089 569553910 /nfs/dbraw/zinc/55/39/10/569553910.db2.gz HWNGJPXTPXECLX-UHFFFAOYSA-N 0 0 432.907 4.365 50 0 IIAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1cc(F)ccc1F ZINC000009633195 569554157 /nfs/dbraw/zinc/55/41/57/569554157.db2.gz FPDQVOUPJSIUFP-UHFFFAOYSA-N 0 0 434.402 4.008 50 0 IIAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NC(=O)NC1CCCCC1 ZINC000009634668 569554525 /nfs/dbraw/zinc/55/45/25/569554525.db2.gz DWSWERBQSVZAOW-UHFFFAOYSA-N 0 0 426.564 4.053 50 0 IIAARN O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009634902 569554576 /nfs/dbraw/zinc/55/45/76/569554576.db2.gz ZHWAYVOSYIKEOM-UHFFFAOYSA-N 0 0 434.945 4.116 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(CC)c3cccc(C)c3)c2)on1 ZINC000009637660 569554847 /nfs/dbraw/zinc/55/48/47/569554847.db2.gz ZTLHKLZEHGDICI-UHFFFAOYSA-N 0 0 444.509 4.051 50 0 IIAARN COc1ccc(Cl)cc1-n1nnc(-c2nsc(NC(=O)c3ccccc3)n2)c1C ZINC000009638162 569554915 /nfs/dbraw/zinc/55/49/15/569554915.db2.gz WLTFUFIIVPGZPH-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccnc2)n2nc(-c3cccc(Cl)c3)nc2N1 ZINC000009638046 569554943 /nfs/dbraw/zinc/55/49/43/569554943.db2.gz HSJVAEAVHHNOQL-FQEVSTJZSA-N 0 0 443.898 4.316 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(F)cc1C ZINC000009638250 569555008 /nfs/dbraw/zinc/55/50/08/569555008.db2.gz ZAFHSJBQGDSPLG-UHFFFAOYSA-N 0 0 428.880 4.447 50 0 IIAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(SC)c4)c3C)ns2)cc1 ZINC000009638652 569555017 /nfs/dbraw/zinc/55/50/17/569555017.db2.gz OKLWWGUVYKFRQR-UHFFFAOYSA-N 0 0 438.538 4.077 50 0 IIAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccccc3Cl)c2C)ns1 ZINC000009638872 569555042 /nfs/dbraw/zinc/55/50/42/569555042.db2.gz ZPXCUJAPNBXWGG-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccc(C)c(Cl)c3)c2C)ns1 ZINC000009638936 569555100 /nfs/dbraw/zinc/55/51/00/569555100.db2.gz IDWZXBJFKPUTAX-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)c(Cl)c4)c3C)ns2)c1 ZINC000009639016 569555111 /nfs/dbraw/zinc/55/51/11/569555111.db2.gz DCOWBNOXUUCWHB-UHFFFAOYSA-N 0 0 444.879 4.148 50 0 IIAARN Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)o2)cc1 ZINC000009639930 569555303 /nfs/dbraw/zinc/55/53/03/569555303.db2.gz RMUXGNGKEWLCFV-UHFFFAOYSA-N 0 0 437.565 4.492 50 0 IIAARN CCc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000009640899 569555557 /nfs/dbraw/zinc/55/55/57/569555557.db2.gz RDPHNFVPOIAEIK-UHFFFAOYSA-N 0 0 426.929 4.472 50 0 IIAARN COc1cccc(-c2nc3cc(=O)[nH]n3c(SCc3ccc(Br)cc3)n2)c1 ZINC000009641218 569555632 /nfs/dbraw/zinc/55/56/32/569555632.db2.gz LPXWPNYGXARDIA-UHFFFAOYSA-N 0 0 443.326 4.148 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659314 569556630 /nfs/dbraw/zinc/55/66/30/569556630.db2.gz BUFPBZNARJWFBF-UHFFFAOYSA-N 0 0 429.885 4.267 50 0 IIAARN COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009660328 569556787 /nfs/dbraw/zinc/55/67/87/569556787.db2.gz XNLFRYRFJZRNCB-UHFFFAOYSA-N 0 0 437.805 4.474 50 0 IIAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 ZINC000009661286 569557048 /nfs/dbraw/zinc/55/70/48/569557048.db2.gz UATXGRAQDVBAJC-UHFFFAOYSA-N 0 0 437.507 4.108 50 0 IIAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009663822 569557287 /nfs/dbraw/zinc/55/72/87/569557287.db2.gz HSTXEIONSJLSKS-CYBMUJFWSA-N 0 0 441.987 4.193 50 0 IIAARN Cc1cc2sc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000009663937 569557300 /nfs/dbraw/zinc/55/73/00/569557300.db2.gz OMHVQRKRIGZGLW-AWEZNQCLSA-N 0 0 435.596 4.157 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000009664031 569557356 /nfs/dbraw/zinc/55/73/56/569557356.db2.gz ZBFSIYJTBMCDQV-UHFFFAOYSA-N 0 0 439.468 4.339 50 0 IIAARN O=C(COC(=O)COc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl ZINC000009665375 569557536 /nfs/dbraw/zinc/55/75/36/569557536.db2.gz DCOMESFXYHRYAH-UHFFFAOYSA-N 0 0 433.085 4.317 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NCC(C)C)n2C2CCCCC2)cc1 ZINC000009666119 569557699 /nfs/dbraw/zinc/55/76/99/569557699.db2.gz DONKVGQHCQRMFB-UHFFFAOYSA-N 0 0 445.589 4.033 50 0 IIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCCn1ccc2ccccc21 ZINC000009672406 569558778 /nfs/dbraw/zinc/55/87/78/569558778.db2.gz QGTZAUAXAKEKSX-UHFFFAOYSA-N 0 0 425.941 4.446 50 0 IIAARN COCCCNC(=O)CSc1[nH]c(-c2ccc(OC)cc2)nc1-c1ccc(F)cc1 ZINC000009674163 569559148 /nfs/dbraw/zinc/55/91/48/569559148.db2.gz MLBGGTYEWLHLEL-UHFFFAOYSA-N 0 0 429.517 4.136 50 0 IIAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000009678366 569559678 /nfs/dbraw/zinc/55/96/78/569559678.db2.gz DOVOPYHMWLSGSD-GOSISDBHSA-N 0 0 427.456 4.338 50 0 IIAARN CCN(CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1 ZINC000009694072 569561198 /nfs/dbraw/zinc/56/11/98/569561198.db2.gz TUPYGTQMINXERY-UHFFFAOYSA-N 0 0 435.568 4.039 50 0 IIAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000009707408 569561562 /nfs/dbraw/zinc/56/15/62/569561562.db2.gz DOAVBZOIKOSAMN-UHFFFAOYSA-N 0 0 425.897 4.148 50 0 IIAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000009707614 569561605 /nfs/dbraw/zinc/56/16/05/569561605.db2.gz DUXKFWPKYZYAFY-UHFFFAOYSA-N 0 0 435.461 4.185 50 0 IIAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1 ZINC000009708297 569561894 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/nfs/dbraw/zinc/56/53/46/569565346.db2.gz COURTCAWQTWBPY-UHFFFAOYSA-N 0 0 427.888 4.201 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)c1 ZINC000009743796 569565527 /nfs/dbraw/zinc/56/55/27/569565527.db2.gz WBCYBOMHIJBVOE-UHFFFAOYSA-N 0 0 448.914 4.164 50 0 IIAARN Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21 ZINC000009743954 569565541 /nfs/dbraw/zinc/56/55/41/569565541.db2.gz CPWAFFLQIZIINN-UHFFFAOYSA-N 0 0 438.894 4.409 50 0 IIAARN O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cn1 ZINC000009745782 569565662 /nfs/dbraw/zinc/56/56/62/569565662.db2.gz BEOSKXVFEJATLC-UHFFFAOYSA-N 0 0 442.310 4.010 50 0 IIAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000009751814 569566093 /nfs/dbraw/zinc/56/60/93/569566093.db2.gz SFNIBLRSUJQDPG-UHFFFAOYSA-N 0 0 425.485 4.100 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1 ZINC000009761506 569566300 /nfs/dbraw/zinc/56/63/00/569566300.db2.gz YIZAYCFDBSFXRW-UHFFFAOYSA-N 0 0 444.354 4.343 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)CCN(C)C2 ZINC000009762089 569566420 /nfs/dbraw/zinc/56/64/20/569566420.db2.gz MXYZZHVONXOHTR-UHFFFAOYSA-N 0 0 447.607 4.253 50 0 IIAARN Cc1sc2nc(CN3CCCC3)nc(Sc3nnnn3Cc3cccs3)c2c1C ZINC000009764336 569566721 /nfs/dbraw/zinc/56/67/21/569566721.db2.gz GGYMRDQPNVKQOB-UHFFFAOYSA-N 0 0 443.627 4.151 50 0 IIAARN CCOC(=O)C(=C(O)COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009765217 569566748 /nfs/dbraw/zinc/56/67/48/569566748.db2.gz LQVRXKDNWFLURU-FQEVSTJZSA-N 0 0 438.505 4.268 50 0 IIAARN O=C(CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)NCC1CCCCC1 ZINC000009764930 569566770 /nfs/dbraw/zinc/56/67/70/569566770.db2.gz FHJYRIAYOLDJRU-UHFFFAOYSA-N 0 0 440.565 4.134 50 0 IIAARN O=C(Cc1sc(NNc2ccccc2)nc1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009778224 569567231 /nfs/dbraw/zinc/56/72/31/569567231.db2.gz HSMVOBUQBSIAJW-HXUWFJFHSA-N 0 0 432.505 4.422 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccco1 ZINC000009782625 569567732 /nfs/dbraw/zinc/56/77/32/569567732.db2.gz 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Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc4c(c3)OCCCO4)c(=O)c12 ZINC000009817883 569569282 /nfs/dbraw/zinc/56/92/82/569569282.db2.gz VBZQJUBPBOWDPU-UHFFFAOYSA-N 0 0 447.516 4.233 50 0 IIAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000009822627 569569540 /nfs/dbraw/zinc/56/95/40/569569540.db2.gz ZSUUIWOXMSNKOA-UHFFFAOYSA-N 0 0 428.473 4.437 50 0 IIAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Br)cc3)co2)n1 ZINC000009829235 569570001 /nfs/dbraw/zinc/57/00/01/569570001.db2.gz IMGGTWRRQAWYOF-UHFFFAOYSA-N 0 0 447.310 4.321 50 0 IIAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000009833283 569570349 /nfs/dbraw/zinc/57/03/49/569570349.db2.gz JVYQWVMVTZENHQ-UHFFFAOYSA-N 0 0 446.319 4.146 50 0 IIAARN O=S(=O)(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009846780 569571050 /nfs/dbraw/zinc/57/10/50/569571050.db2.gz WISCYLQXIDEEDH-OAQYLSRUSA-N 0 0 448.544 4.440 50 0 IIAARN O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000009847674 569571202 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4.087 50 0 IIAARN CCCOc1c(Cl)cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1OCC ZINC000009961183 569575604 /nfs/dbraw/zinc/57/56/04/569575604.db2.gz OWDVWRSUROAOKK-UHFFFAOYSA-N 0 0 430.888 4.201 50 0 IIAARN COc1cc2c(cc1NC(=O)CSc1nc3nc(C)cc(C)n3n1)oc1ccccc12 ZINC000009963581 569575825 /nfs/dbraw/zinc/57/58/25/569575825.db2.gz LJQXSLZMIUUOAP-UHFFFAOYSA-N 0 0 433.493 4.380 50 0 IIAARN CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000010013853 569577127 /nfs/dbraw/zinc/57/71/27/569577127.db2.gz XMKQTHJMIBOZNA-SFHVURJKSA-N 0 0 442.400 4.456 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(C3CC3)o2)cc1 ZINC000010109353 569577963 /nfs/dbraw/zinc/57/79/63/569577963.db2.gz JGWDFIZWFHSDGT-FQEVSTJZSA-N 0 0 434.521 4.426 50 0 IIAARN Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000010186304 569578369 /nfs/dbraw/zinc/57/83/69/569578369.db2.gz DCXWFISKHYMWMH-UHFFFAOYSA-N 0 0 427.839 4.062 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000010188205 569578857 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CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)nc2)n1 ZINC000071768325 569580681 /nfs/dbraw/zinc/58/06/81/569580681.db2.gz WDYRGADPTKTSHC-UHFFFAOYSA-N 0 0 440.866 4.163 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 ZINC000071768633 569580800 /nfs/dbraw/zinc/58/08/00/569580800.db2.gz JNOBMRJFCUFTFM-OAHLLOKOSA-N 0 0 446.511 4.114 50 0 IIAARN Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCOc4ccc(C)cc43)C2=O)cc1 ZINC000071769004 569580834 /nfs/dbraw/zinc/58/08/34/569580834.db2.gz JUDBOUQWRMMEAK-UHFFFAOYSA-N 0 0 431.536 4.021 50 0 IIAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1cc(Cl)ccc1Cl ZINC000071772306 569580940 /nfs/dbraw/zinc/58/09/40/569580940.db2.gz PNBCSLPSJIDHJI-UHFFFAOYSA-N 0 0 444.278 4.009 50 0 IIAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337135 569581225 /nfs/dbraw/zinc/58/12/25/569581225.db2.gz NHNKTZIEFRYSDT-YADHBBJMSA-N 0 0 444.882 4.290 50 0 IIAARN Cc1cc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c(C)c1 ZINC000010337471 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IIAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)CCS2)N1CCN(c2ccccn2)CC1 ZINC000009962452 132332847 /nfs/dbraw/zinc/33/28/47/132332847.db2.gz MEBCMFOAEQNAEP-UHFFFAOYSA-N 0 0 430.577 4.156 50 0 IIAARN O=C(c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000010013266 132334006 /nfs/dbraw/zinc/33/40/06/132334006.db2.gz NZJBWBGQAFTFHS-UHFFFAOYSA-N 0 0 444.922 4.002 50 0 IIAARN COc1ccc2cc(CNC(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc2c1 ZINC000010494855 132335927 /nfs/dbraw/zinc/33/59/27/132335927.db2.gz WUMIZCRLIHHEPS-UHFFFAOYSA-N 0 0 433.556 4.102 50 0 IIAARN Cc1ccc(C)c(OCc2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)no2)c1 ZINC000011753741 132339402 /nfs/dbraw/zinc/33/94/02/132339402.db2.gz JPSYGECLECFTAD-UHFFFAOYSA-N 0 0 425.916 4.486 50 0 IIAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000012939460 132341000 /nfs/dbraw/zinc/34/10/00/132341000.db2.gz JNSYUEZIKKDXSY-QFIPXVFZSA-N 0 0 443.576 4.015 50 0 IIAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000012981060 132341217 /nfs/dbraw/zinc/34/12/17/132341217.db2.gz HPCHXVIIPYFNHS-JOCHJYFZSA-N 0 0 443.576 4.015 50 0 IIAARN COc1ccc(-c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1 ZINC000012998013 132341596 /nfs/dbraw/zinc/34/15/96/132341596.db2.gz SPJVERIVDZEMIT-UHFFFAOYSA-N 0 0 429.476 4.492 50 0 IIAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013006047 132341740 /nfs/dbraw/zinc/34/17/40/132341740.db2.gz BFVVXAXBIVXDDV-HNNXBMFYSA-N 0 0 449.473 4.450 50 0 IIAARN Cc1ccc2c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc(=O)oc2c1 ZINC000013039885 132343154 /nfs/dbraw/zinc/34/31/54/132343154.db2.gz SIQMNWXLSNBXFY-UHFFFAOYSA-N 0 0 437.849 4.491 50 0 IIAARN CC(C)N(C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000013059721 132343733 /nfs/dbraw/zinc/34/37/33/132343733.db2.gz AJMBPRZMFYHUKL-UHFFFAOYSA-N 0 0 440.897 4.317 50 0 IIAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000013068520 132343804 /nfs/dbraw/zinc/34/38/04/132343804.db2.gz SZBYIQKEQCLDMD-SFHVURJKSA-N 0 0 449.938 4.321 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)c1 ZINC000013469199 132347001 /nfs/dbraw/zinc/34/70/01/132347001.db2.gz LJGALZMJLOFEOQ-UHFFFAOYSA-N 0 0 441.457 4.383 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000013583628 132351026 /nfs/dbraw/zinc/35/10/26/132351026.db2.gz VMLXZBFLSDIDFY-UHFFFAOYSA-N 0 0 449.532 4.039 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)C[C@@H](c1cccs1)N1Cc3ccccc3C1=O)OCO2 ZINC000020560958 518294426 /nfs/dbraw/zinc/29/44/26/518294426.db2.gz NJCBZLJUONVBAG-IBGZPJMESA-N 0 0 448.500 4.405 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)c1nc(-c3ccccc3)n(-c3ccccc3)n1)OCO2 ZINC000021083265 518294920 /nfs/dbraw/zinc/29/49/20/518294920.db2.gz LBKPHIOORJMDMN-UHFFFAOYSA-N 0 0 426.432 4.118 50 0 IIAARN CC(=O)c1ccc(NC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1 ZINC000012887031 518362090 /nfs/dbraw/zinc/36/20/90/518362090.db2.gz BSQUROHCHIHNCU-UHFFFAOYSA-N 0 0 435.476 4.425 50 0 biogenic IIAARN C(=C/c1ccccc1)\CN1CCN(c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)CC1 ZINC000041151801 518371470 /nfs/dbraw/zinc/37/14/70/518371470.db2.gz ZJHZFMAYMSXNFA-FLVSMNSFSA-N 0 0 429.568 4.056 50 0 IIAARN CC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000012380157 518382222 /nfs/dbraw/zinc/38/22/22/518382222.db2.gz QVJRZKFDOGFYIM-INIZCTEOSA-N 0 0 444.771 4.302 50 0 IIAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000012380238 518425534 /nfs/dbraw/zinc/42/55/34/518425534.db2.gz PCYFLYNUGXYJSP-UHFFFAOYSA-N 0 0 436.533 4.082 50 0 IIAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(Br)cc2Br)c1 ZINC000015303409 518450415 /nfs/dbraw/zinc/45/04/15/518450415.db2.gz ZXPBFDVAUAXQHA-UHFFFAOYSA-N 0 0 427.092 4.432 50 0 IIAARN CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)c1 ZINC000012762051 518452204 /nfs/dbraw/zinc/45/22/04/518452204.db2.gz XJAFWTSIWPGRIQ-FQEVSTJZSA-N 0 0 448.544 4.384 50 0 IIAARN CC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012747541 518468679 /nfs/dbraw/zinc/46/86/79/518468679.db2.gz VNIIIYIBBMUPOY-UHFFFAOYSA-N 0 0 428.554 4.025 50 0 IIAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1cc2c(cc1C(C)=O)OCO2 ZINC000020446796 518494931 /nfs/dbraw/zinc/49/49/31/518494931.db2.gz VBEVASGUBXCVOU-UHFFFAOYSA-N 0 0 448.357 4.043 50 0 IIAARN CC(C)(C)C(=O)NCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012775423 518579016 /nfs/dbraw/zinc/57/90/16/518579016.db2.gz CCOKLZLZHXSHFA-UHFFFAOYSA-N 0 0 435.446 4.449 50 0 IIAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)cc1 ZINC000021706203 518590709 /nfs/dbraw/zinc/59/07/09/518590709.db2.gz JPAHIGDCINWMCG-FQEVSTJZSA-N 0 0 427.589 4.220 50 0 IIAARN CC(C)(C)OC(=O)N1Cc2nc(-c3ccc(Cl)cc3)ncc2[C@H]1C(=O)N1CCCC1 ZINC000091689998 518819223 /nfs/dbraw/zinc/81/92/23/518819223.db2.gz WQWSFCNLRULQPJ-SFHVURJKSA-N 0 0 428.920 4.211 50 0 IIAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000012322000 518834763 /nfs/dbraw/zinc/83/47/63/518834763.db2.gz HXQRPZWPJUOGTB-UHFFFAOYSA-N 0 0 444.959 4.489 50 0 IIAARN CC(C)(C)c1cc([C@@H](c2cccnc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O ZINC000021486607 519005824 /nfs/dbraw/zinc/00/58/24/519005824.db2.gz BCZBEPCVKBTUCC-HSZRJFAPSA-N 0 0 425.617 4.082 50 0 IIAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C2=O ZINC000021852118 519007444 /nfs/dbraw/zinc/00/74/44/519007444.db2.gz DOLSMGOLYRGAAH-RUZDIDTESA-N 0 0 440.563 4.183 50 0 IIAARN CC(C)(C)c1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCOCC3)O2)cc1 ZINC000012401088 519026292 /nfs/dbraw/zinc/02/62/92/519026292.db2.gz JYVKTJZDNOLBAJ-UHFFFAOYSA-N 0 0 437.384 4.270 50 0 IIAARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 ZINC000012875356 519040341 /nfs/dbraw/zinc/04/03/41/519040341.db2.gz MHLLHLJBJQWIIU-UHFFFAOYSA-N 0 0 438.524 4.060 50 0 IIAARN CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C[C@H]1CCCO1 ZINC000036046071 519451326 /nfs/dbraw/zinc/45/13/26/519451326.db2.gz FUXCESLBAJNHEG-JOCHJYFZSA-N 0 0 446.551 4.141 50 0 IIAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035946122 519521667 /nfs/dbraw/zinc/52/16/67/519521667.db2.gz SMUZDOGKHODPPQ-UHFFFAOYSA-N 0 0 447.576 4.087 50 0 IIAARN CC(=O)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc21 ZINC000023293079 519635764 /nfs/dbraw/zinc/63/57/64/519635764.db2.gz HXDUJCAKZMQRBY-MRXNPFEDSA-N 0 0 432.320 4.477 50 0 IIAARN CC(=O)N1N=C(COc2ccc(C)cc2)O[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 ZINC000021090899 519638392 /nfs/dbraw/zinc/63/83/92/519638392.db2.gz GNPWOUGFKXCUIP-XMMPIXPASA-N 0 0 430.460 4.484 50 0 IIAARN CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000012760382 519646643 /nfs/dbraw/zinc/64/66/43/519646643.db2.gz OWAHEOUPLHUMNH-RBZFPXEDSA-N 0 0 428.360 4.091 50 0 IIAARN CC(C)CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012734403 519647951 /nfs/dbraw/zinc/64/79/51/519647951.db2.gz JNEBFNHHNOPADK-KRWDZBQOSA-N 0 0 446.569 4.203 50 0 IIAARN CC(C)CCN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021851238 519653212 /nfs/dbraw/zinc/65/32/12/519653212.db2.gz WARUQXUDZXMORA-QHCPKHFHSA-N 0 0 428.602 4.321 50 0 IIAARN CC(C)CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000012884334 519662895 /nfs/dbraw/zinc/66/28/95/519662895.db2.gz LLEOAXWBLPFJTM-ZHRRBRCNSA-N 0 0 444.535 4.398 50 0 biogenic IIAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(I)c1 ZINC000012382439 519663628 /nfs/dbraw/zinc/66/36/28/519663628.db2.gz SPVPCFPCPDPFOX-UHFFFAOYSA-N 0 0 447.276 4.392 50 0 IIAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)s1 ZINC000009813117 519668237 /nfs/dbraw/zinc/66/82/37/519668237.db2.gz MYWMEJOQJKPRIY-UHFFFAOYSA-N 0 0 429.567 4.348 50 0 IIAARN CC(=O)Nc1c(C)cc(C)c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1C ZINC000012853728 519701756 /nfs/dbraw/zinc/70/17/56/519701756.db2.gz SHHFDRPBBGXPGH-UHFFFAOYSA-N 0 0 429.933 4.174 50 0 IIAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2cc(C)n(CCC(C)C)c2C)c1 ZINC000020993904 519706559 /nfs/dbraw/zinc/70/65/59/519706559.db2.gz HKXYOWOBVMTUCH-UHFFFAOYSA-N 0 0 441.528 4.108 50 0 IIAARN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000035907773 519716341 /nfs/dbraw/zinc/71/63/41/519716341.db2.gz HMQRDMIKNIRUIM-LAUBAEHRSA-N 0 0 435.465 4.237 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cl ZINC000012734819 519722364 /nfs/dbraw/zinc/72/23/64/519722364.db2.gz WGVWVDFBTAGGLL-UHFFFAOYSA-N 0 0 444.944 4.047 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000012781709 519741503 /nfs/dbraw/zinc/74/15/03/519741503.db2.gz VSXUSVLMWMOFHB-UHFFFAOYSA-N 0 0 444.413 4.288 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000012767260 519741937 /nfs/dbraw/zinc/74/19/37/519741937.db2.gz MGWSYHVZGQAFNR-UHFFFAOYSA-N 0 0 446.532 4.421 50 0 IIAARN CC(C)COC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1I ZINC000012382311 519750014 /nfs/dbraw/zinc/75/00/14/519750014.db2.gz CQBQOHODIIMRBO-LDADJPATSA-N 0 0 449.288 4.261 50 0 IIAARN CC(C)C[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260160 519772501 /nfs/dbraw/zinc/77/25/01/519772501.db2.gz DMYALBWLWBIUAX-MRXNPFEDSA-N 0 0 440.979 4.212 50 0 IIAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021052736 519828325 /nfs/dbraw/zinc/82/83/25/519828325.db2.gz IXWMQKFVPFSSJU-GOSISDBHSA-N 0 0 426.929 4.326 50 0 IIAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O ZINC000021052651 519828364 /nfs/dbraw/zinc/82/83/64/519828364.db2.gz OURSHDHAPWWAKP-GOSISDBHSA-N 0 0 426.929 4.326 50 0 IIAARN CC(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000021658763 519835677 /nfs/dbraw/zinc/83/56/77/519835677.db2.gz FNFNWNMBYZOAEP-OAQYLSRUSA-N 0 0 438.549 4.295 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035485622 519837652 /nfs/dbraw/zinc/83/76/52/519837652.db2.gz WEPZKJIBAVSIRI-UIOOFZCWSA-N 0 0 441.575 4.191 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC(C)CC2)c2ccccc23)cc1 ZINC000020355974 519838936 /nfs/dbraw/zinc/83/89/36/519838936.db2.gz ONQLLEGCUWKJOH-UHFFFAOYSA-N 0 0 449.580 4.470 50 0 IIAARN CC(C)c1ccccc1-n1ccnc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000012604478 519844190 /nfs/dbraw/zinc/84/41/90/519844190.db2.gz BVAQAWQUNNMCOI-UHFFFAOYSA-N 0 0 444.507 4.121 50 0 IIAARN CCCN1c2ccc(C(=O)Nc3cccc(Br)c3)cc2S(=O)(=O)N=C1C ZINC000015867571 519864895 /nfs/dbraw/zinc/86/48/95/519864895.db2.gz VHGCHMDXUSPTGI-UHFFFAOYSA-N 0 0 436.331 4.039 50 0 IIAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000036002961 519868793 /nfs/dbraw/zinc/86/87/93/519868793.db2.gz OVPNUTMYZFYHTO-UHFFFAOYSA-N 0 0 434.931 4.434 50 0 IIAARN CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccco1 ZINC000012321757 519877183 /nfs/dbraw/zinc/87/71/83/519877183.db2.gz SAHPTYOZLSTGGE-UHFFFAOYSA-N 0 0 430.526 4.326 50 0 IIAARN CCCC(=O)Nc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)c(Cl)c1 ZINC000020581677 519878296 /nfs/dbraw/zinc/87/82/96/519878296.db2.gz CJAQMKJIRNJNGD-UHFFFAOYSA-N 0 0 425.964 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ZINC000021939908 521442988 /nfs/dbraw/zinc/44/29/88/521442988.db2.gz TYVFFYVVGWNGJQ-HNNXBMFYSA-N 0 0 447.944 4.357 50 0 IIAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656464 521497980 /nfs/dbraw/zinc/49/79/80/521497980.db2.gz GRDNEAMTPJYNDB-FQEVSTJZSA-N 0 0 432.524 4.200 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)C[S@@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000020737604 521499930 /nfs/dbraw/zinc/49/99/30/521499930.db2.gz VVQTUPAGBNCVKY-WJOKGBTCSA-N 0 0 440.521 4.023 50 0 IIAARN CCOc1ccccc1NC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000020931102 521531707 /nfs/dbraw/zinc/53/17/07/521531707.db2.gz DEUDTMIYJKFKIJ-UHFFFAOYSA-N 0 0 429.498 4.024 50 0 IIAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)NC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035867501 521544079 /nfs/dbraw/zinc/54/40/79/521544079.db2.gz LOSGYVZLBBOBOV-OAHLLOKOSA-N 0 0 429.634 4.399 50 0 IIAARN CCOc1ccccc1[C@H]1CC(=O)N(c2cccc(Br)c2)C2=C1C(=O)OC2 ZINC000035142718 521590228 /nfs/dbraw/zinc/59/02/28/521590228.db2.gz XNCYOLSZERFTHA-MRXNPFEDSA-N 0 0 428.282 4.179 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1COC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000022000990 521608330 /nfs/dbraw/zinc/60/83/30/521608330.db2.gz AAMKWYVCAOPGQF-SFHVURJKSA-N 0 0 425.462 4.156 50 0 IIAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccncc1 ZINC000012322254 521620885 /nfs/dbraw/zinc/62/08/85/521620885.db2.gz MVXFWUFRKCOGNN-UHFFFAOYSA-N 0 0 427.526 4.004 50 0 IIAARN CCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nnc1C(C)C ZINC000017100740 521634240 /nfs/dbraw/zinc/63/42/40/521634240.db2.gz KDVBCBKUVXLXKC-UHFFFAOYSA-N 0 0 436.603 4.269 50 0 IIAARN CCCn1cc(Br)c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)n1 ZINC000020616327 521641779 /nfs/dbraw/zinc/64/17/79/521641779.db2.gz QJZHUEGKVMTXKD-UHFFFAOYSA-N 0 0 433.306 4.492 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3F)C2)cc1 ZINC000020846408 521684588 /nfs/dbraw/zinc/68/45/88/521684588.db2.gz ZQKPGEAGPYCSTD-FQEVSTJZSA-N 0 0 441.484 4.172 50 0 IIAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccs3)C2)c1 ZINC000012630856 521685817 /nfs/dbraw/zinc/68/58/17/521685817.db2.gz MZNZRTGNHBAZNW-KRWDZBQOSA-N 0 0 429.523 4.094 50 0 IIAARN CCS(=O)(=O)c1ncc(CN2CC[C@@H](c3ccccc3F)C2)n1CCc1ccccc1 ZINC000020869636 521694387 /nfs/dbraw/zinc/69/43/87/521694387.db2.gz QBIFAYNMXASNON-HXUWFJFHSA-N 0 0 441.572 4.048 50 0 IIAARN CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000012810467 521695655 /nfs/dbraw/zinc/69/56/55/521695655.db2.gz APVHOPLTJIAPOW-UHFFFAOYSA-N 0 0 428.539 4.256 50 0 IIAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000035372183 521730512 /nfs/dbraw/zinc/73/05/12/521730512.db2.gz RTTYMOPCKHKNEJ-UHFFFAOYSA-N 0 0 429.520 4.486 50 0 biogenic IIAARN COC(=O)c1c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2cccs2)c(C)n1C ZINC000036014579 521751664 /nfs/dbraw/zinc/75/16/64/521751664.db2.gz GOTCXQBKIQXPNA-UHFFFAOYSA-N 0 0 430.570 4.395 50 0 IIAARN CCc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000012876720 521774651 /nfs/dbraw/zinc/77/46/51/521774651.db2.gz IALKUXHWGWVVSZ-UHFFFAOYSA-N 0 0 430.570 4.140 50 0 IIAARN COC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Cl ZINC000016426567 521891204 /nfs/dbraw/zinc/89/12/04/521891204.db2.gz GZXFFBDVPYFMED-UHFFFAOYSA-N 0 0 444.896 4.180 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000012781033 521899562 /nfs/dbraw/zinc/89/95/62/521899562.db2.gz ZURQGZQVMBHCTA-UHFFFAOYSA-N 0 0 442.493 4.087 50 0 IIAARN COC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(C)ccc2n1 ZINC000035462602 521902337 /nfs/dbraw/zinc/90/23/37/521902337.db2.gz GYNWCVRNNLIQEB-UHFFFAOYSA-N 0 0 429.270 4.110 50 0 IIAARN COC(=O)c1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000023332208 521952899 /nfs/dbraw/zinc/95/28/99/521952899.db2.gz KJDKXORNRHNILV-XMMPIXPASA-N 0 0 432.495 4.160 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C3SCCS3)cc2)c1 ZINC000018120260 521982166 /nfs/dbraw/zinc/98/21/66/521982166.db2.gz YNGJTVWKPQQYTA-UHFFFAOYSA-N 0 0 443.999 4.288 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC000022829157 521984101 /nfs/dbraw/zinc/98/41/01/521984101.db2.gz VEXAVCDJHOLOOO-UHFFFAOYSA-N 0 0 435.977 4.223 50 0 IIAARN COCCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000012763207 522010743 /nfs/dbraw/zinc/01/07/43/522010743.db2.gz WDFQPEHAFKXQPZ-UHFFFAOYSA-N 0 0 445.491 4.036 50 0 IIAARN COc1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc(Cl)c1OCC(N)=O ZINC000021466957 522062602 /nfs/dbraw/zinc/06/26/02/522062602.db2.gz OXYKHGVOBSQHRR-UHFFFAOYSA-N 0 0 430.932 4.141 50 0 IIAARN COc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(OC)c1Br ZINC000012905203 522110988 /nfs/dbraw/zinc/11/09/88/522110988.db2.gz JVRXFBSTCVQILQ-UHFFFAOYSA-N 0 0 430.298 4.428 50 0 IIAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc(OC)c1OC ZINC000022460178 522162224 /nfs/dbraw/zinc/16/22/24/522162224.db2.gz JLVXRGMWIRBZDF-UHFFFAOYSA-N 0 0 432.436 4.077 50 0 IIAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1S2 ZINC000021939508 522181196 /nfs/dbraw/zinc/18/11/96/522181196.db2.gz ACZHDWRDQQNSNG-UHFFFAOYSA-N 0 0 448.500 4.232 50 0 IIAARN COC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000033272090 522182564 /nfs/dbraw/zinc/18/25/64/522182564.db2.gz FLBZSXCILBYGNE-UHFFFAOYSA-N 0 0 441.892 4.120 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000020739705 522229340 /nfs/dbraw/zinc/22/93/40/522229340.db2.gz GVAKKDMZIAXDEK-IBGZPJMESA-N 0 0 428.851 4.168 50 0 IIAARN CC[C@@H](C)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020358047 522236462 /nfs/dbraw/zinc/23/64/62/522236462.db2.gz UPHXKKJZXMGTNX-CYBMUJFWSA-N 0 0 427.574 4.138 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035522409 522312372 /nfs/dbraw/zinc/31/23/72/522312372.db2.gz VNLBGCHEIWKRMV-SJKOYZFVSA-N 0 0 431.514 4.341 50 0 IIAARN CC[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccc(C)cc1 ZINC000012805885 522380153 /nfs/dbraw/zinc/38/01/53/522380153.db2.gz OGBJTNKCNFSMSE-SFHVURJKSA-N 0 0 428.330 4.125 50 0 IIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)CC(C)C)CC2)n1 ZINC000036002932 522441913 /nfs/dbraw/zinc/44/19/13/522441913.db2.gz NPUNJXPRGDPQDD-LJQANCHMSA-N 0 0 434.588 4.414 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000036006152 522468842 /nfs/dbraw/zinc/46/88/42/522468842.db2.gz JORPAIWXALIDNJ-UHFFFAOYSA-N 0 0 446.580 4.100 50 0 IIAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000036001947 522469689 /nfs/dbraw/zinc/46/96/89/522469689.db2.gz SDSMSIKJKTVCBO-UHFFFAOYSA-N 0 0 446.580 4.100 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012754812 522517892 /nfs/dbraw/zinc/51/78/92/522517892.db2.gz OFMLIVOQLWWGIH-KRWDZBQOSA-N 0 0 443.975 4.012 50 0 IIAARN COc1cc(Cl)c(NC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)c(OC)c1 ZINC000035505238 522527919 /nfs/dbraw/zinc/52/79/19/522527919.db2.gz PWDMZJYJAGHJAJ-GFCCVEGCSA-N 0 0 432.933 4.217 50 0 IIAARN COc1cc(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O ZINC000033293577 522531401 /nfs/dbraw/zinc/53/14/01/522531401.db2.gz HCNRXWRSZMYTBA-LZYBPNLTSA-N 0 0 432.885 4.038 50 0 IIAARN CC[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccc(C)cc1 ZINC000012805880 522680620 /nfs/dbraw/zinc/68/06/20/522680620.db2.gz OGBJTNKCNFSMSE-GOSISDBHSA-N 0 0 428.330 4.125 50 0 IIAARN COc1cc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc(OC)c1OC ZINC000012361874 522688616 /nfs/dbraw/zinc/68/86/16/522688616.db2.gz NFWMZDZRNQDDPQ-OAQYLSRUSA-N 0 0 425.460 4.290 50 0 IIAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3c2)o1 ZINC000035462179 522719652 /nfs/dbraw/zinc/71/96/52/522719652.db2.gz SRLCQCQOLMECIG-UHFFFAOYSA-N 0 0 449.942 4.256 50 0 IIAARN CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)s1 ZINC000012633294 522774559 /nfs/dbraw/zinc/77/45/59/522774559.db2.gz YZJLQPJRXNUZIO-UHFFFAOYSA-N 0 0 441.520 4.208 50 0 IIAARN COc1cc(OC)c(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl ZINC000020760949 522798299 /nfs/dbraw/zinc/79/82/99/522798299.db2.gz DWBWNYTVDBGJKT-UHFFFAOYSA-N 0 0 441.915 4.142 50 0 biogenic IIAARN COc1cc(OC)c(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1Cl ZINC000021529760 522811314 /nfs/dbraw/zinc/81/13/14/522811314.db2.gz BTFCXBALICGSQG-UHFFFAOYSA-N 0 0 445.878 4.367 50 0 IIAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000012845378 522823133 /nfs/dbraw/zinc/82/31/33/522823133.db2.gz FQLAOTZSFKODOP-UHFFFAOYSA-N 0 0 437.492 4.230 50 0 IIAARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012137444 522872246 /nfs/dbraw/zinc/87/22/46/522872246.db2.gz OTGBUIVVIXEVKX-QFIPXVFZSA-N 0 0 430.570 4.356 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000033268551 522889831 /nfs/dbraw/zinc/88/98/31/522889831.db2.gz QESDKNPOHXNSEK-QFIPXVFZSA-N 0 0 443.503 4.378 50 0 IIAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000036043168 523038075 /nfs/dbraw/zinc/03/80/75/523038075.db2.gz BLHMSWAHOPBXEF-WAIKUNEKSA-N 0 0 443.563 4.429 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000035428433 523054168 /nfs/dbraw/zinc/05/41/68/523054168.db2.gz GTJFXCDLUGWQCL-OAQYLSRUSA-N 0 0 447.491 4.279 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035448113 523054507 /nfs/dbraw/zinc/05/45/07/523054507.db2.gz IJADDZPDKLQUTE-OAQYLSRUSA-N 0 0 447.491 4.279 50 0 IIAARN CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1cccc(OC)c1 ZINC000020807057 523081620 /nfs/dbraw/zinc/08/16/20/523081620.db2.gz CTPNNNNZTOEPDQ-FCQUAONHSA-N 0 0 443.594 4.262 50 0 IIAARN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]n2)cc1 ZINC000021017184 523092429 /nfs/dbraw/zinc/09/24/29/523092429.db2.gz WZERXONGTWPJMU-UHFFFAOYSA-N 0 0 430.430 4.067 50 0 IIAARN COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000020683111 523094587 /nfs/dbraw/zinc/09/45/87/523094587.db2.gz JBEBDPBZOJBQPV-UHFFFAOYSA-N 0 0 433.552 4.096 50 0 IIAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3OC)N3CCCCC3)no2)cc1 ZINC000011905379 523098917 /nfs/dbraw/zinc/09/89/17/523098917.db2.gz DVRLYPZRIVRYDB-JOCHJYFZSA-N 0 0 435.524 4.316 50 0 IIAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)CCOc3ccc(C)cc3)cc2)c1C ZINC000012922630 523121280 /nfs/dbraw/zinc/12/12/80/523121280.db2.gz NAQBZGCZJKKUMS-UHFFFAOYSA-N 0 0 449.551 4.054 50 0 IIAARN CCn1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C2CC2)c(C)c1C(=O)OC ZINC000036025623 523122390 /nfs/dbraw/zinc/12/23/90/523122390.db2.gz SWJPWRMQMCNIQF-INIZCTEOSA-N 0 0 428.504 4.061 50 0 IIAARN CCn1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C2CCC2)c(C)c1C(=O)OC ZINC000036025602 523122749 /nfs/dbraw/zinc/12/27/49/523122749.db2.gz QBXIBRIJTBWEQJ-QGZVFWFLSA-N 0 0 442.531 4.451 50 0 IIAARN CCn1c(C[C@H]2c3cc(Br)ccc3N(C(C)C)C2=O)nc2ccccc2c1=O ZINC000021151174 523200991 /nfs/dbraw/zinc/20/09/91/523200991.db2.gz YSDVVJXYTVSACJ-KRWDZBQOSA-N 0 0 440.341 4.260 50 0 IIAARN CCn1c(SCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)nnc1C1CC1 ZINC000012749226 523219253 /nfs/dbraw/zinc/21/92/53/523219253.db2.gz VZILBRNLBWMOSZ-QFIPXVFZSA-N 0 0 447.004 4.418 50 0 IIAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000017095025 523223191 /nfs/dbraw/zinc/22/31/91/523223191.db2.gz WEYWCUFHSUAHON-UHFFFAOYSA-N 0 0 426.542 4.330 50 0 IIAARN COc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CCCC4)n32)cc1 ZINC000021727167 523232430 /nfs/dbraw/zinc/23/24/30/523232430.db2.gz RVXCJQYGSIVMDN-UHFFFAOYSA-N 0 0 433.537 4.104 50 0 IIAARN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000012816118 523279590 /nfs/dbraw/zinc/27/95/90/523279590.db2.gz ZKCMLYMVLSARMG-LLVKDONJSA-N 0 0 427.853 4.003 50 0 IIAARN COc1ccc(-c2noc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000021583581 523291438 /nfs/dbraw/zinc/29/14/38/523291438.db2.gz CDUNHESMAPWWJW-UHFFFAOYSA-N 0 0 432.446 4.082 50 0 IIAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)cn1 ZINC000020603822 523299961 /nfs/dbraw/zinc/29/99/61/523299961.db2.gz BYSVRMADDYKMPQ-UHFFFAOYSA-N 0 0 447.442 4.354 50 0 IIAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012517503 523303000 /nfs/dbraw/zinc/30/30/00/523303000.db2.gz DABAKHGSQWXBSE-UHFFFAOYSA-N 0 0 431.945 4.093 50 0 IIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000012888677 523305176 /nfs/dbraw/zinc/30/51/76/523305176.db2.gz SQVJFSIREVDFIK-UHFFFAOYSA-N 0 0 447.771 4.360 50 0 IIAARN COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000035325475 523306907 /nfs/dbraw/zinc/30/69/07/523306907.db2.gz BUQCGSMNSOCVAZ-AWEZNQCLSA-N 0 0 440.477 4.039 50 0 IIAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1 ZINC000011818223 523334001 /nfs/dbraw/zinc/33/40/01/523334001.db2.gz DXRWJICDKGOVDN-HSZRJFAPSA-N 0 0 440.494 4.325 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000012550891 523340767 /nfs/dbraw/zinc/34/07/67/523340767.db2.gz CQNMSSHJBWYDJF-UHFFFAOYSA-N 0 0 443.579 4.338 50 0 IIAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)N(C)c3ccccc3)c2s1 ZINC000035534189 523355253 /nfs/dbraw/zinc/35/52/53/523355253.db2.gz UVQKKHZVNWQXNW-UHFFFAOYSA-N 0 0 435.578 4.478 50 0 IIAARN COc1ccc(Br)c(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c1 ZINC000021600962 523481591 /nfs/dbraw/zinc/48/15/91/523481591.db2.gz GCJCIJKBQIMIIT-QGZVFWFLSA-N 0 0 434.721 4.364 50 0 IIAARN COc1ccc(Br)cc1-c1nc(CSc2nnc(C3CC3)n2N)cs1 ZINC000021329016 523487060 /nfs/dbraw/zinc/48/70/60/523487060.db2.gz IODKNERUBOSETR-UHFFFAOYSA-N 0 0 438.376 4.056 50 0 IIAARN COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012748637 523489512 /nfs/dbraw/zinc/48/95/12/523489512.db2.gz MSHFIDLWALQQQB-XLNAKTSKSA-N 0 0 443.341 4.348 50 0 IIAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 ZINC000012391011 523499129 /nfs/dbraw/zinc/49/91/29/523499129.db2.gz PMCHTTDCZMZBSM-UHFFFAOYSA-N 0 0 430.526 4.128 50 0 IIAARN COCCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)C1=CCCCC1 ZINC000012597917 523538464 /nfs/dbraw/zinc/53/84/64/523538464.db2.gz RGMCSULPDPOKIM-UHFFFAOYSA-N 0 0 449.580 4.354 50 0 IIAARN CN(Cc1nnc(SCCOc2ccccc2)n1C)Cc1cc2c(cc1Cl)OCO2 ZINC000014969179 523607619 /nfs/dbraw/zinc/60/76/19/523607619.db2.gz WQWWZENVNSOLRS-UHFFFAOYSA-N 0 0 446.960 4.000 50 0 IIAARN CN(Cc1nnc(SCc2ccccc2Cl)n1C)Cc1ccc2c(c1)OCCO2 ZINC000014997862 523607638 /nfs/dbraw/zinc/60/76/38/523607638.db2.gz FSBJZPLOLYGSIC-UHFFFAOYSA-N 0 0 430.961 4.164 50 0 IIAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000035767122 523610100 /nfs/dbraw/zinc/61/01/00/523610100.db2.gz XMAHVXROGZNZTD-UHFFFAOYSA-N 0 0 436.483 4.261 50 0 IIAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000033036374 523610289 /nfs/dbraw/zinc/61/02/89/523610289.db2.gz XIQZTEKUAJVTQX-UHFFFAOYSA-N 0 0 433.331 4.473 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)-c2ccccc2CC3)C1=O ZINC000012914773 523630629 /nfs/dbraw/zinc/63/06/29/523630629.db2.gz OMXLWAOTYSGMHY-XMMPIXPASA-N 0 0 431.517 4.016 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1F ZINC000012385205 523640273 /nfs/dbraw/zinc/64/02/73/523640273.db2.gz HWVJIDIYJWJORC-OAHLLOKOSA-N 0 0 434.458 4.061 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCCOC(C)C)c3)C2)cc1 ZINC000033034748 523642832 /nfs/dbraw/zinc/64/28/32/523642832.db2.gz NQTODMSPDAHNQC-QHCPKHFHSA-N 0 0 438.568 4.260 50 0 biogenic IIAARN CCn1nc(C)c(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)c1C ZINC000021362347 523643566 /nfs/dbraw/zinc/64/35/66/523643566.db2.gz KMPOIUWSIUDHKN-UHFFFAOYSA-N 0 0 429.524 4.492 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000012512219 523649259 /nfs/dbraw/zinc/64/92/59/523649259.db2.gz NIZRNFTVHXHLBH-UHFFFAOYSA-N 0 0 435.549 4.364 50 0 IIAARN CN1C(=O)N(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)C(=O)C12CCCCC2 ZINC000012777692 523715364 /nfs/dbraw/zinc/71/53/64/523715364.db2.gz FROAFBYBSZDMEJ-FQEVSTJZSA-N 0 0 449.576 4.464 50 0 IIAARN CN1C(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C(=O)C12CCCCC2 ZINC000012777688 523715538 /nfs/dbraw/zinc/71/55/38/523715538.db2.gz FROAFBYBSZDMEJ-HXUWFJFHSA-N 0 0 449.576 4.464 50 0 IIAARN COc1ccc(C(=O)NCc2nnc(SCc3ccccc3F)n2CC(C)C)cc1 ZINC000012244579 523717889 /nfs/dbraw/zinc/71/78/89/523717889.db2.gz GOQJRUYZWWOXIR-UHFFFAOYSA-N 0 0 428.533 4.304 50 0 IIAARN COc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000033048631 523724115 /nfs/dbraw/zinc/72/41/15/523724115.db2.gz GFCVULTUURVFBY-OAQYLSRUSA-N 0 0 433.439 4.412 50 0 IIAARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000012599349 523736708 /nfs/dbraw/zinc/73/67/08/523736708.db2.gz XFKADCDFLFCZEV-GOSISDBHSA-N 0 0 429.567 4.104 50 0 IIAARN COc1ccc(C(=O)N[C@H](c2nnc(SCCOc3ccccc3)n2C)C(C)C)cc1 ZINC000035655175 523736737 /nfs/dbraw/zinc/73/67/37/523736737.db2.gz GTDPGCKHQXHQNE-FQEVSTJZSA-N 0 0 440.569 4.122 50 0 IIAARN CCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(C)cc2)n1 ZINC000012464247 523741376 /nfs/dbraw/zinc/74/13/76/523741376.db2.gz UGNRKTLINASMRL-SFHVURJKSA-N 0 0 438.578 4.172 50 0 IIAARN CCn1nnc2cc(C(=O)N[C@@H](Cc3ccc(OC)cc3)c3ccc(OC)cc3)ccc21 ZINC000009664349 523761460 /nfs/dbraw/zinc/76/14/60/523761460.db2.gz SVTJPAJMXZXBBM-QFIPXVFZSA-N 0 0 430.508 4.182 50 0 IIAARN CC[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nc(-c2ccccc2)ccc1=O ZINC000021783831 523797700 /nfs/dbraw/zinc/79/77/00/523797700.db2.gz AWMXRSYHGNESAM-GOSISDBHSA-N 0 0 427.888 4.171 50 0 IIAARN COC(=O)[C@@]1(Cc2ccccc2)C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)C1=O ZINC000012384121 523837828 /nfs/dbraw/zinc/83/78/28/523837828.db2.gz LLBZRXAOWWABSN-VGSWGCGISA-N 0 0 445.309 4.044 50 0 IIAARN COc1ccc(C)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089218 523842371 /nfs/dbraw/zinc/84/23/71/523842371.db2.gz QXHAQYCBZIHSBP-LBPRGKRZSA-N 0 0 427.298 4.450 50 0 IIAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)NCc4ccc(C)cc4)nc(CC)n23)s1 ZINC000020862707 523845189 /nfs/dbraw/zinc/84/51/89/523845189.db2.gz XSZFTXNLQNGRLI-UHFFFAOYSA-N 0 0 436.581 4.241 50 0 IIAARN CCc1cc2c(nc(S[C@@H](C)C(=O)N(C)c3ccccc3)n(CCCOC)c2=O)s1 ZINC000012788603 523846948 /nfs/dbraw/zinc/84/69/48/523846948.db2.gz LOECMXCVXQCKQU-HNNXBMFYSA-N 0 0 445.610 4.201 50 0 IIAARN CCc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1Cl ZINC000022039498 523851481 /nfs/dbraw/zinc/85/14/81/523851481.db2.gz XVYHTSCKSOPELG-UHFFFAOYSA-N 0 0 440.927 4.055 50 0 IIAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)NCc4ccccc4)cc3)CCOCC2)cc1 ZINC000012420464 523867000 /nfs/dbraw/zinc/86/70/00/523867000.db2.gz ZJZSEVDHCTWTHI-UHFFFAOYSA-N 0 0 444.531 4.312 50 0 biogenic IIAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccccc4OC)CC3)N=C2SC)cc1 ZINC000020578321 523874365 /nfs/dbraw/zinc/87/43/65/523874365.db2.gz LIRJBPYIMGRQCX-UHFFFAOYSA-N 0 0 438.553 4.292 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(OC)c3)C(=O)Cc3ccccc3)C2)cc1 ZINC000035835797 523879946 /nfs/dbraw/zinc/87/99/46/523879946.db2.gz KHPKVZWFUJBGSW-RUZDIDTESA-N 0 0 444.531 4.468 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3F)CC2)cc1 ZINC000035887616 523887128 /nfs/dbraw/zinc/88/71/28/523887128.db2.gz WIDDJVAFRHSOQO-UHFFFAOYSA-N 0 0 432.543 4.348 50 0 IIAARN COc1ccc(CC(=O)NC[C@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)cc1OC ZINC000014990692 523902300 /nfs/dbraw/zinc/90/23/00/523902300.db2.gz LJXWJWGAHUEPBR-OAQYLSRUSA-N 0 0 445.515 4.236 50 0 IIAARN COc1ccc(CC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1 ZINC000024539470 523912489 /nfs/dbraw/zinc/91/24/89/523912489.db2.gz NLRWKTPQVIWMGZ-HXUWFJFHSA-N 0 0 447.531 4.407 50 0 IIAARN CCc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3C)s2)cc1 ZINC000032987345 523933892 /nfs/dbraw/zinc/93/38/92/523933892.db2.gz TVRQEDNIIFEOED-UHFFFAOYSA-N 0 0 440.594 4.211 50 0 IIAARN CC[C@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000035945561 523941715 /nfs/dbraw/zinc/94/17/15/523941715.db2.gz MKMAVHZZARLHAI-KRWDZBQOSA-N 0 0 449.592 4.476 50 0 IIAARN CO[C@H](c1nnc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)o1)c1ccccc1 ZINC000012594823 523959591 /nfs/dbraw/zinc/95/95/91/523959591.db2.gz QUDBQWHBDSSPON-FQEVSTJZSA-N 0 0 433.430 4.116 50 0 IIAARN CCc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000021716223 523974443 /nfs/dbraw/zinc/97/44/43/523974443.db2.gz XABQLHJMIPNNOU-UHFFFAOYSA-N 0 0 439.928 4.468 50 0 IIAARN COc1ccc(CCNc2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1OC ZINC000021150291 523978738 /nfs/dbraw/zinc/97/87/38/523978738.db2.gz JXJJUEUWINIRCT-UHFFFAOYSA-N 0 0 448.523 4.394 50 0 IIAARN COc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1F ZINC000012926763 523995611 /nfs/dbraw/zinc/99/56/11/523995611.db2.gz PIMPMPUZFJKEDW-UHFFFAOYSA-N 0 0 432.546 4.240 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000036000857 524022482 /nfs/dbraw/zinc/02/24/82/524022482.db2.gz AXPHAKKJLPFJDC-UHFFFAOYSA-N 0 0 440.446 4.222 50 0 IIAARN CN(C)C(=O)c1cccc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000021354894 524029902 /nfs/dbraw/zinc/02/99/02/524029902.db2.gz DCGKPOKNEHYGMF-UHFFFAOYSA-N 0 0 433.352 4.477 50 0 IIAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(OC)cc3)n2)cc1 ZINC000015670176 524034771 /nfs/dbraw/zinc/03/47/71/524034771.db2.gz MEURDQSGWUPORK-FQEVSTJZSA-N 0 0 440.507 4.078 50 0 IIAARN COc1ccc(CNC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)c(OC)c1 ZINC000014995090 524048263 /nfs/dbraw/zinc/04/82/63/524048263.db2.gz KDRRBLDIOVIQCK-MHZLTWQESA-N 0 0 446.547 4.145 50 0 IIAARN CCc1cccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nnc2N2CCOCC2)c1 ZINC000012825351 524061964 /nfs/dbraw/zinc/06/19/64/524061964.db2.gz FNEOKEUICQCQLI-OAHLLOKOSA-N 0 0 428.562 4.026 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)c(OC)c1 ZINC000035398005 524062888 /nfs/dbraw/zinc/06/28/88/524062888.db2.gz KJKFRSCWEAEOMR-HXUWFJFHSA-N 0 0 446.551 4.002 50 0 IIAARN CCc1cccc(CC)c1-n1c(=O)cc(O)nc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000012636761 524067375 /nfs/dbraw/zinc/06/73/75/524067375.db2.gz IJTRICRDGMYVCM-UHFFFAOYSA-N 0 0 437.565 4.411 50 0 IIAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](c1cccc2ccccc21)n1cccc1 ZINC000263586818 524089939 /nfs/dbraw/zinc/08/99/39/524089939.db2.gz YHDPEDSRNQJLQE-UIOOFZCWSA-N 0 0 437.543 4.320 50 0 biogenic IIAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)NCc4ccc(Cl)cc4)c3s2)C1 ZINC000035533655 524108603 /nfs/dbraw/zinc/10/86/03/524108603.db2.gz BSEFYNRCHYCJQB-ZDUSSCGKSA-N 0 0 448.017 4.385 50 0 IIAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000012875169 524114529 /nfs/dbraw/zinc/11/45/29/524114529.db2.gz ZFQPWXZBMUVMHQ-UHFFFAOYSA-N 0 0 435.553 4.380 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(-c4nccnc4N4CCCC4)cc3)CC2)c1 ZINC000033313040 524125686 /nfs/dbraw/zinc/12/56/86/524125686.db2.gz BOEJLIJKGAMLPZ-UHFFFAOYSA-N 0 0 441.579 4.323 50 0 IIAARN Cc1cccc(-n2c(SCCN3CCOCC3)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000012808579 524140770 /nfs/dbraw/zinc/14/07/70/524140770.db2.gz ZTHLGABJWPCGJJ-UHFFFAOYSA-N 0 0 441.622 4.059 50 0 IIAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nn1-c1ccccc1 ZINC000001030501 524158588 /nfs/dbraw/zinc/15/85/88/524158588.db2.gz PPYIHBJDHIBOIT-UHFFFAOYSA-N 0 0 430.430 4.288 50 0 IIAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C)C[C@@H]2CCCO2)c1 ZINC000035944746 524163963 /nfs/dbraw/zinc/16/39/63/524163963.db2.gz TYCZUQLUALYIKT-QHCPKHFHSA-N 0 0 437.584 4.477 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036055223 524179363 /nfs/dbraw/zinc/17/93/63/524179363.db2.gz WDQWUUNPEWFTEB-RTWAWAEBSA-N 0 0 439.556 4.032 50 0 IIAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)c(C)o1 ZINC000042379213 524187953 /nfs/dbraw/zinc/18/79/53/524187953.db2.gz HBRZRGIOWVGHBV-UHFFFAOYSA-N 0 0 428.539 4.072 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccnc2)c1OC ZINC000012432025 524189465 /nfs/dbraw/zinc/18/94/65/524189465.db2.gz XGWYLIUSFDYPBI-VWLOTQADSA-N 0 0 427.504 4.297 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccco3)c2)c1 ZINC000012508302 524194590 /nfs/dbraw/zinc/19/45/90/524194590.db2.gz NEDJKXASPLYZIL-UHFFFAOYSA-N 0 0 444.578 4.360 50 0 IIAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCCCOC(C)C)CC3)ncn2)c1 ZINC000035528199 524202579 /nfs/dbraw/zinc/20/25/79/524202579.db2.gz SELPSNIXIWAHJY-UHFFFAOYSA-N 0 0 442.629 4.392 50 0 IIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)cc1C ZINC000012897166 524211531 /nfs/dbraw/zinc/21/15/31/524211531.db2.gz LZIPJPRWSSZUSE-UHFFFAOYSA-N 0 0 441.578 4.310 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)c1 ZINC000033321011 524219105 /nfs/dbraw/zinc/21/91/05/524219105.db2.gz MOZAGTFKPQNUPS-UHFFFAOYSA-N 0 0 430.483 4.246 50 0 IIAARN Cc1ccc(C2(c3noc(CN4CCCN(C(=O)c5ccco5)CC4)n3)CCCC2)cc1 ZINC000012571245 524228886 /nfs/dbraw/zinc/22/88/86/524228886.db2.gz CHQVSHCFLUNBEY-UHFFFAOYSA-N 0 0 434.540 4.179 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000022606333 524233643 /nfs/dbraw/zinc/23/36/43/524233643.db2.gz RPQZRQFOJVZNKP-UHFFFAOYSA-N 0 0 432.933 4.415 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000022506349 524236735 /nfs/dbraw/zinc/23/67/35/524236735.db2.gz BNWULJFTNJLGJA-UHFFFAOYSA-N 0 0 430.313 4.186 50 0 IIAARN Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1C ZINC000012931881 524245528 /nfs/dbraw/zinc/24/55/28/524245528.db2.gz NRKSVIAHMOTSFP-INIZCTEOSA-N 0 0 425.506 4.235 50 0 IIAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccc(F)cc1)C2 ZINC000035538756 524248243 /nfs/dbraw/zinc/24/82/43/524248243.db2.gz LJVZUACKJGJCBC-UHFFFAOYSA-N 0 0 445.450 4.122 50 0 IIAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)NCCC4=CCCCC4)c3s2)C1 ZINC000035483759 524248580 /nfs/dbraw/zinc/24/85/80/524248580.db2.gz IJXPCTAXZPBJIG-OAHLLOKOSA-N 0 0 431.631 4.421 50 0 IIAARN COc1ccc(Cl)cc1[C@@H](OC(=O)CCn1cnc2ccccc2c1=O)C(F)(F)F ZINC000012925715 524254614 /nfs/dbraw/zinc/25/46/14/524254614.db2.gz LKXSYXBGPPBLJG-GOSISDBHSA-N 0 0 440.805 4.295 50 0 IIAARN Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(=O)[C@@H](c1ccccc1)N1CCOCC1 ZINC000020506481 524264883 /nfs/dbraw/zinc/26/48/83/524264883.db2.gz MAHHRESFVZEMEC-HHHXNRCGSA-N 0 0 442.559 4.479 50 0 IIAARN COc1ccc(Cn2nnnc2SCCCC(=O)c2ccc(Br)cc2)cc1 ZINC000012774252 524268186 /nfs/dbraw/zinc/26/81/86/524268186.db2.gz QTPCBPIXLGIVJM-UHFFFAOYSA-N 0 0 447.358 4.248 50 0 IIAARN COc1ccc(Cn2nnnc2SCc2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000021732190 524268647 /nfs/dbraw/zinc/26/86/47/524268647.db2.gz JMCKCWCJAXPTTO-UHFFFAOYSA-N 0 0 426.933 4.170 50 0 IIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1 ZINC000012927463 524275184 /nfs/dbraw/zinc/27/51/84/524275184.db2.gz JTIVFZJFVXVCDL-IAGOWNOFSA-N 0 0 446.494 4.386 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000021151343 524292460 /nfs/dbraw/zinc/29/24/60/524292460.db2.gz UHGYVUBFXPWYFM-UHFFFAOYSA-N 0 0 439.515 4.500 50 0 IIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000020939584 524347519 /nfs/dbraw/zinc/34/75/19/524347519.db2.gz BQPUUJNBMLIJML-UHFFFAOYSA-N 0 0 436.537 4.408 50 0 IIAARN COc1ccccc1C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000015781018 524352307 /nfs/dbraw/zinc/35/23/07/524352307.db2.gz AALYRDWDLLBIPQ-HXUWFJFHSA-N 0 0 433.526 4.149 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(CCc1ccc(F)cc1)C(=O)[C@@H](C)O2 ZINC000035909413 524358462 /nfs/dbraw/zinc/35/84/62/524358462.db2.gz VYIFRVFTIAJCOJ-QGZVFWFLSA-N 0 0 448.494 4.439 50 0 IIAARN COc1ccc(N(Cc2ccccc2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 ZINC000035673253 524368117 /nfs/dbraw/zinc/36/81/17/524368117.db2.gz NDTCCGPSSZPCTL-UHFFFAOYSA-N 0 0 449.528 4.042 50 0 IIAARN COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012878394 524370493 /nfs/dbraw/zinc/37/04/93/524370493.db2.gz LZGULCCXHFECNQ-UHFFFAOYSA-N 0 0 435.505 4.449 50 0 IIAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccncc3)[C@H]2c2ccccc2OC)cc1 ZINC000012527796 524387737 /nfs/dbraw/zinc/38/77/37/524387737.db2.gz HEVREWWAUKZUAB-XUZZJYLKSA-N 0 0 431.492 4.222 50 0 IIAARN Cc1cccc(CN2CCN(Cc3nc(=O)c4c(-c5ccc(F)cc5)csc4[nH]3)CC2)c1 ZINC000022834579 524400054 /nfs/dbraw/zinc/40/00/54/524400054.db2.gz OUMYQMWDIOAANG-UHFFFAOYSA-N 0 0 448.567 4.417 50 0 IIAARN Cc1cc(C)cc(N(Cc2c(F)cccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000020867335 524409981 /nfs/dbraw/zinc/40/99/81/524409981.db2.gz UMQFFZNUWITWIF-MOPGFXCFSA-N 0 0 438.977 4.371 50 0 IIAARN Cc1cc(C)cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000012902713 524420584 /nfs/dbraw/zinc/42/05/84/524420584.db2.gz OZAKVQBGFOAVNG-UHFFFAOYSA-N 0 0 430.551 4.208 50 0 IIAARN C[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)c2ccccc2S1 ZINC000012850563 524435070 /nfs/dbraw/zinc/43/50/70/524435070.db2.gz ZULAKQRKAGEBOJ-XLNAKTSKSA-N 0 0 428.579 4.157 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000023994432 524443065 /nfs/dbraw/zinc/44/30/65/524443065.db2.gz MGPZTXCCYJBUBA-UHFFFAOYSA-N 0 0 445.562 4.309 50 0 IIAARN COc1ccccc1CNC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000020679566 524464258 /nfs/dbraw/zinc/46/42/58/524464258.db2.gz LSNVIAOVUFQTGA-UHFFFAOYSA-N 0 0 443.588 4.160 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c(OC)c1 ZINC000035398416 524473163 /nfs/dbraw/zinc/47/31/63/524473163.db2.gz AFQGPKVDCCNQDM-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)Cn3cc4ccccc4n3)C2)c(C)c1 ZINC000012755407 524482040 /nfs/dbraw/zinc/48/20/40/524482040.db2.gz QHMZSLJPKNAVBF-IBGZPJMESA-N 0 0 434.540 4.011 50 0 IIAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000012297363 524483035 /nfs/dbraw/zinc/48/30/35/524483035.db2.gz CWTTZQHLDYGUNZ-SFHVURJKSA-N 0 0 442.581 4.468 50 0 IIAARN COc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 ZINC000012921806 524488384 /nfs/dbraw/zinc/48/83/84/524488384.db2.gz DYWSDSPCGKDXCP-UHFFFAOYSA-N 0 0 429.929 4.491 50 0 IIAARN COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000015968648 524488857 /nfs/dbraw/zinc/48/88/57/524488857.db2.gz NTCXZHNNGRWAJM-UHFFFAOYSA-N 0 0 440.503 4.259 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)CC1 ZINC000021868011 524552196 /nfs/dbraw/zinc/55/21/96/524552196.db2.gz PPSPHRJVMGKWHY-UHFFFAOYSA-N 0 0 448.542 4.387 50 0 IIAARN COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1 ZINC000022239173 524557673 /nfs/dbraw/zinc/55/76/73/524557673.db2.gz HDIRLWYGQMZPSK-UHFFFAOYSA-N 0 0 428.330 4.034 50 0 aggregator IIAARN Cc1cccc(N2CCN(c3c(C)c(C)nc4nc(Cc5cccc(F)c5)nn43)CC2)c1C ZINC000015865151 524560208 /nfs/dbraw/zinc/56/02/08/524560208.db2.gz YZYXVLDGPWAOQH-UHFFFAOYSA-N 0 0 444.558 4.414 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000012860237 524564383 /nfs/dbraw/zinc/56/43/83/524564383.db2.gz GHCPYTZZCMVANY-NRFANRHFSA-N 0 0 441.531 4.225 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)cc1OC ZINC000022497039 524578443 /nfs/dbraw/zinc/57/84/43/524578443.db2.gz NGZGYGOWHPDDPC-UHFFFAOYSA-N 0 0 430.464 4.355 50 0 IIAARN Cc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000020541477 524585239 /nfs/dbraw/zinc/58/52/39/524585239.db2.gz YMEFJDYNFVIHJQ-UHFFFAOYSA-N 0 0 437.565 4.363 50 0 IIAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C ZINC000012819346 524588689 /nfs/dbraw/zinc/58/86/89/524588689.db2.gz JKRHIRWEEQCOCW-UHFFFAOYSA-N 0 0 426.517 4.075 50 0 IIAARN Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc(Br)cc2F)c1C ZINC000012748492 524590307 /nfs/dbraw/zinc/59/03/07/524590307.db2.gz CYNUHDGCYUFFJG-UHFFFAOYSA-N 0 0 436.325 4.104 50 0 IIAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C ZINC000012781874 524591215 /nfs/dbraw/zinc/59/12/15/524591215.db2.gz NGUNXVUSSCANOX-UHFFFAOYSA-N 0 0 447.583 4.296 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c1C ZINC000020854701 524600175 /nfs/dbraw/zinc/60/01/75/524600175.db2.gz FRXXXFRFRHZNSF-SFTDATJTSA-N 0 0 434.536 4.181 50 0 IIAARN COc1ccc(NC(=O)[C@H](OC(=O)COc2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000012926633 524610271 /nfs/dbraw/zinc/61/02/71/524610271.db2.gz SPSLNWRPHFOJAP-RUZDIDTESA-N 0 0 431.488 4.486 50 0 IIAARN COc1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021099938 524616556 /nfs/dbraw/zinc/61/65/56/524616556.db2.gz MGEHYSOVJJWXEI-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000012749256 524645732 /nfs/dbraw/zinc/64/57/32/524645732.db2.gz GMLOXEOOUIOQNZ-UHFFFAOYSA-N 0 0 448.475 4.256 50 0 IIAARN COc1ccccc1Nc1nc(N)nc(CSCC(=O)c2c(C)[nH]c3ccccc32)n1 ZINC000024346870 524650409 /nfs/dbraw/zinc/65/04/09/524650409.db2.gz GOZSDZYWMXIONF-UHFFFAOYSA-N 0 0 434.525 4.112 50 0 IIAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)c1C ZINC000020323589 524660859 /nfs/dbraw/zinc/66/08/59/524660859.db2.gz XIIMPBGHPQGNPY-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)N[C@H](C)c4ccccc4)CC3=O)c2)c1 ZINC000033308641 524662458 /nfs/dbraw/zinc/66/24/58/524662458.db2.gz AKLHSHRNYFHQGQ-DENIHFKCSA-N 0 0 441.531 4.478 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000012926536 524667887 /nfs/dbraw/zinc/66/78/87/524667887.db2.gz QUCQHVYZGATLMH-QFIPXVFZSA-N 0 0 441.578 4.363 50 0 IIAARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)CC(C)(C)C ZINC000034706569 524676516 /nfs/dbraw/zinc/67/65/16/524676516.db2.gz KUUCOUYSLOMTDN-INIZCTEOSA-N 0 0 448.596 4.479 50 0 IIAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)s2)c1C ZINC000012643946 524702831 /nfs/dbraw/zinc/70/28/31/524702831.db2.gz QVEIQLWMKSCHAX-CQSZACIVSA-N 0 0 439.566 4.364 50 0 IIAARN Cc1ccc(Cl)c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1Cl ZINC000012914421 524703593 /nfs/dbraw/zinc/70/35/93/524703593.db2.gz BQVDRELRZIOOLJ-UHFFFAOYSA-N 0 0 426.388 4.355 50 0 IIAARN COc1ccc(Nc2nc(COC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cs2)cc1 ZINC000012656548 524717110 /nfs/dbraw/zinc/71/71/10/524717110.db2.gz DLEZSIWIMJTVAQ-KRWDZBQOSA-N 0 0 427.457 4.204 50 0 IIAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(I)c2)N3)C1 ZINC000017086072 524725439 /nfs/dbraw/zinc/72/54/39/524725439.db2.gz POGOJDTWZSTBKT-GLEZIHRCSA-N 0 0 440.306 4.037 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000012569423 524734338 /nfs/dbraw/zinc/73/43/38/524734338.db2.gz ASCOUNIDEHFHOO-UHFFFAOYSA-N 0 0 428.005 4.436 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2NS(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684007 524807648 /nfs/dbraw/zinc/80/76/48/524807648.db2.gz HPFQCFDZACCCLC-HSZRJFAPSA-N 0 0 449.532 4.194 50 0 IIAARN COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc(C)cc2)c1 ZINC000015971766 524812611 /nfs/dbraw/zinc/81/26/11/524812611.db2.gz NDCIWTRYPYEFBJ-BKMJKUGQSA-N 0 0 442.471 4.093 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020744330 524861467 /nfs/dbraw/zinc/86/14/67/524861467.db2.gz PKXVMKNGUZXTGO-KRWDZBQOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1 ZINC000015828853 524892558 /nfs/dbraw/zinc/89/25/58/524892558.db2.gz WMIICFHWRWIIFY-KRWDZBQOSA-N 0 0 430.888 4.019 50 0 IIAARN Cc1cccc([C@H]2CC[C@@H](C(=O)NCCc3ccccn3)CN2C(=O)c2ccccc2)c1 ZINC000034671248 524900885 /nfs/dbraw/zinc/90/08/85/524900885.db2.gz XEWCXNLSDBKUDR-ILBGXUMGSA-N 0 0 427.548 4.342 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012386772 524925132 /nfs/dbraw/zinc/92/51/32/524925132.db2.gz OGPCAAPBIGIPLJ-INIZCTEOSA-N 0 0 440.515 4.105 50 0 IIAARN Cc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000012289029 524925541 /nfs/dbraw/zinc/92/55/41/524925541.db2.gz NRBJCLWZDCGBDY-IRXDYDNUSA-N 0 0 444.862 4.279 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCC2=CCCCC2)c1 ZINC000012387496 524926041 /nfs/dbraw/zinc/92/60/41/524926041.db2.gz JLDVJRKBHSLIMS-UHFFFAOYSA-N 0 0 426.557 4.095 50 0 IIAARN COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000020818345 524963615 /nfs/dbraw/zinc/96/36/15/524963615.db2.gz PNKQIPWMONLIOG-NRFANRHFSA-N 0 0 441.553 4.312 50 0 IIAARN COc1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000012748687 524972781 /nfs/dbraw/zinc/97/27/81/524972781.db2.gz ANANDIRHLQKNOO-MRXNPFEDSA-N 0 0 442.924 4.227 50 0 IIAARN Cc1cc(F)ccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012930327 524989148 /nfs/dbraw/zinc/98/91/48/524989148.db2.gz GEQNSVXTYNPWMN-UHFFFAOYSA-N 0 0 434.514 4.038 50 0 IIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000012782062 524990223 /nfs/dbraw/zinc/99/02/23/524990223.db2.gz PWXUXLKAZIQMEY-INIZCTEOSA-N 0 0 431.521 4.051 50 0 IIAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000020729160 525055952 /nfs/dbraw/zinc/05/59/52/525055952.db2.gz MPPOHTOOKJQSSZ-UHFFFAOYSA-N 0 0 436.618 4.009 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccccc3)c2NC(=O)C2CC2)cc1 ZINC000012410029 525093072 /nfs/dbraw/zinc/09/30/72/525093072.db2.gz WGIBWZJSGZZSMI-UHFFFAOYSA-N 0 0 438.549 4.343 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)[C@H]2CCCO2)cc1 ZINC000012390102 525093657 /nfs/dbraw/zinc/09/36/57/525093657.db2.gz LFXBEWGYPVRBQQ-HXUWFJFHSA-N 0 0 446.569 4.179 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)cc1 ZINC000021713603 525133829 /nfs/dbraw/zinc/13/38/29/525133829.db2.gz GGINDHSSVHVXOT-UHFFFAOYSA-N 0 0 426.524 4.079 50 0 IIAARN Cc1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)cc1C ZINC000033290671 525154055 /nfs/dbraw/zinc/15/40/55/525154055.db2.gz IBXLYWYHSAQZDU-UHFFFAOYSA-N 0 0 447.583 4.460 50 0 IIAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000016248432 525156664 /nfs/dbraw/zinc/15/66/64/525156664.db2.gz GSEFEXRLNQMSMG-UHFFFAOYSA-N 0 0 428.941 4.236 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccc5c(c4)OCCO5)n3)ccc21 ZINC000020672904 525172919 /nfs/dbraw/zinc/17/29/19/525172919.db2.gz KBYBFQHCLDYKNP-UHFFFAOYSA-N 0 0 443.550 4.037 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1CCc1ccccc1 ZINC000021850996 525200599 /nfs/dbraw/zinc/20/05/99/525200599.db2.gz VBEQIXNHGUAKJW-AREMUKBSSA-N 0 0 446.551 4.049 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccnc1 ZINC000021858006 525200843 /nfs/dbraw/zinc/20/08/43/525200843.db2.gz VARQYTKDNCXRCH-AREMUKBSSA-N 0 0 430.552 4.290 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000035536996 525211902 /nfs/dbraw/zinc/21/19/02/525211902.db2.gz WZSYKHIGKDBCPR-NRFANRHFSA-N 0 0 430.346 4.400 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1F ZINC000012888262 525213045 /nfs/dbraw/zinc/21/30/45/525213045.db2.gz CWKQUWPQDZIDJH-HNNXBMFYSA-N 0 0 448.541 4.427 50 0 IIAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CC1=O ZINC000016902612 525225908 /nfs/dbraw/zinc/22/59/08/525225908.db2.gz XVCMGYVOHYKYRA-RTWAWAEBSA-N 0 0 441.531 4.305 50 0 IIAARN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 ZINC000012521281 525231188 /nfs/dbraw/zinc/23/11/88/525231188.db2.gz LVNYDODRFFSJPE-SGTLLEGYSA-N 0 0 443.352 4.092 50 0 IIAARN CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1Cl ZINC000012760120 525239428 /nfs/dbraw/zinc/23/94/28/525239428.db2.gz CBOUMDVXNUUNHP-UHFFFAOYSA-N 0 0 434.926 4.054 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000017135947 525239909 /nfs/dbraw/zinc/23/99/09/525239909.db2.gz WTKAAHCILNLBFC-UHFFFAOYSA-N 0 0 425.901 4.214 50 0 IIAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000022471840 525246953 /nfs/dbraw/zinc/24/69/53/525246953.db2.gz YBGNTFYDEQNAJI-ZDUSSCGKSA-N 0 0 445.397 4.308 50 0 IIAARN CS(=O)(=O)c1ccc(F)c(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000013006434 525251034 /nfs/dbraw/zinc/25/10/34/525251034.db2.gz GDWFTWHKRPPDKK-JOCHJYFZSA-N 0 0 437.496 4.175 50 0 IIAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3N2)cc1OC ZINC000012846748 525257695 /nfs/dbraw/zinc/25/76/95/525257695.db2.gz ZKGQFIBTJCMIIB-KSSFIOAISA-N 0 0 438.450 4.187 50 0 IIAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCc3sccc3C2)c1 ZINC000012216739 525272742 /nfs/dbraw/zinc/27/27/42/525272742.db2.gz WPDYXWQDRDGFSU-UHFFFAOYSA-N 0 0 426.563 4.364 50 0 IIAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012344228 525281127 /nfs/dbraw/zinc/28/11/27/525281127.db2.gz LMTMKPYTJLWLBQ-JOCHJYFZSA-N 0 0 437.496 4.160 50 0 IIAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2ccccc2c1 ZINC000012778820 525329139 /nfs/dbraw/zinc/32/91/39/525329139.db2.gz IMNWSCHTTHPDKC-MRXNPFEDSA-N 0 0 445.548 4.190 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000012729450 525335754 /nfs/dbraw/zinc/33/57/54/525335754.db2.gz IUYTXZABRSCJLX-GFCCVEGCSA-N 0 0 427.353 4.197 50 0 IIAARN Cc1ccc(O)c(N(C)S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000015109670 525354013 /nfs/dbraw/zinc/35/40/13/525354013.db2.gz LHMAKEZRCFXJAM-UHFFFAOYSA-N 0 0 430.913 4.431 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2cccc(Oc3ccccc3)c2)N2CCOCC2)cc1 ZINC000023882593 525359047 /nfs/dbraw/zinc/35/90/47/525359047.db2.gz XVMFNWYCMWXMBG-VWLOTQADSA-N 0 0 432.520 4.291 50 0 IIAARN CSCCC(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000011880662 525369742 /nfs/dbraw/zinc/36/97/42/525369742.db2.gz XGPQTDVSMPSVCZ-JOCHJYFZSA-N 0 0 432.605 4.297 50 0 IIAARN COc1ccc([C@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000012889725 525383459 /nfs/dbraw/zinc/38/34/59/525383459.db2.gz GZTLDPTXVGJEOM-VWLOTQADSA-N 0 0 430.504 4.442 50 0 biogenic IIAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041542 525420368 /nfs/dbraw/zinc/42/03/68/525420368.db2.gz PTGXDRCCCWBUSU-JWQCQUIFSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c(NC(=O)c2ccco2)c1 ZINC000035447969 525443356 /nfs/dbraw/zinc/44/33/56/525443356.db2.gz DOICGFKJWODIQB-UHFFFAOYSA-N 0 0 435.505 4.368 50 0 IIAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738596 525494254 /nfs/dbraw/zinc/49/42/54/525494254.db2.gz FOQSFQXQVVFSFM-VWLOTQADSA-N 0 0 429.520 4.273 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(OC(C)C)cc4)no3)C2)cc1 ZINC000021939805 525531391 /nfs/dbraw/zinc/53/13/91/525531391.db2.gz XQSSXJVMGKPAMW-LJQANCHMSA-N 0 0 441.553 4.401 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2F)c1 ZINC000012857942 525535899 /nfs/dbraw/zinc/53/58/99/525535899.db2.gz CXZMFGYSLDHEQK-CQSZACIVSA-N 0 0 428.460 4.357 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000035446866 525550406 /nfs/dbraw/zinc/55/04/06/525550406.db2.gz KUUKQWSWISUHBJ-UHFFFAOYSA-N 0 0 448.523 4.452 50 0 biogenic IIAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000035871794 525550575 /nfs/dbraw/zinc/55/05/75/525550575.db2.gz BDKCWXZHYWYCQR-BDYUSTAISA-N 0 0 441.575 4.188 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000035399514 525551882 /nfs/dbraw/zinc/55/18/82/525551882.db2.gz ULBNDSLMOVXAOV-UHFFFAOYSA-N 0 0 433.508 4.060 50 0 biogenic IIAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012923550 525554248 /nfs/dbraw/zinc/55/42/48/525554248.db2.gz VNVBWKARBJAPFQ-UHFFFAOYSA-N 0 0 438.484 4.418 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000035559300 525554226 /nfs/dbraw/zinc/55/42/26/525554226.db2.gz FTYPDMBYVSGOCM-RUZDIDTESA-N 0 0 448.588 4.298 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012380755 525576074 /nfs/dbraw/zinc/57/60/74/525576074.db2.gz XATOJAGZEQRSNP-SECBINFHSA-N 0 0 441.258 4.318 50 0 IIAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000021100367 525606753 /nfs/dbraw/zinc/60/67/53/525606753.db2.gz WQIMAWPXBBJXNU-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1c(C(=O)NC[C@H]2OCCc3ccccc32)sc2ncnc(NCc3ccccn3)c12 ZINC000012190969 525625577 /nfs/dbraw/zinc/62/55/77/525625577.db2.gz XDCGUQSQRNFYOG-LJQANCHMSA-N 0 0 445.548 4.051 50 0 IIAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)CCC4CCCC4)c3C)cc(=O)n2o1 ZINC000041089640 525671927 /nfs/dbraw/zinc/67/19/27/525671927.db2.gz JYVFDDXSTGSFTL-UHFFFAOYSA-N 0 0 437.496 4.170 50 0 IIAARN Cc1cc2nc(COc3cc(NC(=O)COc4cccc(C)c4C)ccc3C)cc(=O)n2o1 ZINC000035378620 525674021 /nfs/dbraw/zinc/67/40/21/525674021.db2.gz CNLYNGDEGSLCGF-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1cc2nc(CSc3nnc(NC(=O)c4cccc5ccccc54)s3)cc(=O)n2o1 ZINC000035429474 525676717 /nfs/dbraw/zinc/67/67/17/525676717.db2.gz ZPOJFMDZXXGCSO-UHFFFAOYSA-N 0 0 449.517 4.145 50 0 IIAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c12 ZINC000020947411 525678208 /nfs/dbraw/zinc/67/82/08/525678208.db2.gz GJBAXIDSOGKEIZ-INIZCTEOSA-N 0 0 434.927 4.335 50 0 IIAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N[C@H](C)c3ccccc3)c(=O)c12 ZINC000015863293 525678875 /nfs/dbraw/zinc/67/88/75/525678875.db2.gz KUDUENIDVUGKFG-QGZVFWFLSA-N 0 0 432.499 4.211 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Cl)c3)n2)c1 ZINC000015670540 525718613 /nfs/dbraw/zinc/71/86/13/525718613.db2.gz JIGRZZULUYNQCI-GOSISDBHSA-N 0 0 446.898 4.169 50 0 IIAARN COc1cccc(-c2nc(COC(=O)CCc3ccc4c(c3)OCO4)cs2)c1OC ZINC000012451658 525724270 /nfs/dbraw/zinc/72/42/70/525724270.db2.gz UHMOXRAXDPUCGN-UHFFFAOYSA-N 0 0 427.478 4.232 50 0 IIAARN COc1cccc(-c2nc(COC(=O)c3ccc4c(c3)OCCCO4)cs2)c1OC ZINC000021418385 525725307 /nfs/dbraw/zinc/72/53/07/525725307.db2.gz GUJUXEXFCGAZPT-UHFFFAOYSA-N 0 0 427.478 4.346 50 0 IIAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](c2ccco2)N(C)C)c1 ZINC000012785627 525728769 /nfs/dbraw/zinc/72/87/69/525728769.db2.gz GGBNZQFRHUNUML-JOCHJYFZSA-N 0 0 448.498 4.313 50 0 IIAARN COc1cccc(-c2nn(Cc3nc(-c4ccccc4)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883110 525731711 /nfs/dbraw/zinc/73/17/11/525731711.db2.gz ZYGJRCVQURJUKT-UHFFFAOYSA-N 0 0 428.448 4.380 50 0 IIAARN COc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Cl)cc4)n3)c2C)c1 ZINC000020597775 525755565 /nfs/dbraw/zinc/75/55/65/525755565.db2.gz QYBDVDFRVJYPKX-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000032983414 525763218 /nfs/dbraw/zinc/76/32/18/525763218.db2.gz DYNACTJLPWMUQF-UHFFFAOYSA-N 0 0 425.920 4.219 50 0 IIAARN Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccs3)N3CCOCC3)o2)cc1C ZINC000012912039 525769600 /nfs/dbraw/zinc/76/96/00/525769600.db2.gz FZOQTWIOJZOWQQ-HXUWFJFHSA-N 0 0 439.581 4.142 50 0 IIAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012541228 525787793 /nfs/dbraw/zinc/78/77/93/525787793.db2.gz FZOPMCXGMATKGU-KRWDZBQOSA-N 0 0 432.553 4.369 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021861730 525790265 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4.462 50 0 IIAARN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)Nc1ccc(C(C)C)cc1)c(=O)n2C ZINC000021640801 527554707 /nfs/dbraw/zinc/55/47/07/527554707.db2.gz PMLAWNJIWLGHAN-UHFFFAOYSA-N 0 0 429.524 4.122 50 0 IIAARN Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000035597849 527556233 /nfs/dbraw/zinc/55/62/33/527556233.db2.gz GSFAKQBEFGBGLF-QGZVFWFLSA-N 0 0 438.915 4.344 50 0 IIAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000020891235 527571622 /nfs/dbraw/zinc/57/16/22/527571622.db2.gz NEAUEASMKANELS-LJQANCHMSA-N 0 0 436.518 4.294 50 0 IIAARN Nn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1cc(Cl)ccc1Cl ZINC000012568652 527584347 /nfs/dbraw/zinc/58/43/47/527584347.db2.gz FDUXRCLQUPVXQE-QGZVFWFLSA-N 0 0 448.379 4.422 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCCOc2ccc3ccccc3c2)CC1 ZINC000012567642 527630740 /nfs/dbraw/zinc/63/07/40/527630740.db2.gz ZYXDOZSTURSDSR-JLHYYAGUSA-N 0 0 428.532 4.287 50 0 IIAARN O=C(NCCCCOc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012392620 527655822 /nfs/dbraw/zinc/65/58/22/527655822.db2.gz KALQBEQWMFOXOQ-UHFFFAOYSA-N 0 0 431.467 4.114 50 0 IIAARN FC(F)(F)c1ccc(N2CCCN(Cn3nc(-c4ccccc4)oc3=S)CC2)nc1 ZINC000012567061 527683143 /nfs/dbraw/zinc/68/31/43/527683143.db2.gz SVACWUZMPSGCRN-UHFFFAOYSA-N 0 0 435.475 4.456 50 0 IIAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@H](OCc4cccnc4)C3)n2)c1 ZINC000012448146 527685410 /nfs/dbraw/zinc/68/54/10/527685410.db2.gz UEHMIVQQICENBN-IBGZPJMESA-N 0 0 432.446 4.255 50 0 IIAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(C)cc1Cl ZINC000009530180 535003275 /nfs/dbraw/zinc/00/32/75/535003275.db2.gz BQGHNQPOKAIBDP-UHFFFAOYSA-N 0 0 437.974 4.295 50 0 IIAARN CCNC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000006775596 535791294 /nfs/dbraw/zinc/79/12/94/535791294.db2.gz QVYJMQLFTMSFLC-UHFFFAOYSA-N 0 0 429.568 4.203 50 0 IIAARN COC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1N1CCOCC1 ZINC000009907756 536559730 /nfs/dbraw/zinc/55/97/30/536559730.db2.gz MMDOZNVEOCZTIM-UHFFFAOYSA-N 0 0 446.503 4.141 50 0 IIAARN COc1cccc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)c1 ZINC000010352960 536913449 /nfs/dbraw/zinc/91/34/49/536913449.db2.gz DQCPSRRZFDCWQF-OAQYLSRUSA-N 0 0 434.521 4.340 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc2c1C ZINC000009429675 536962618 /nfs/dbraw/zinc/96/26/18/536962618.db2.gz ZYCSGANTOUWSDX-UHFFFAOYSA-N 0 0 448.563 4.317 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)oc2c1 ZINC000013729067 536962727 /nfs/dbraw/zinc/96/27/27/536962727.db2.gz NZEVPUAWIFFHSC-UHFFFAOYSA-N 0 0 440.927 4.045 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)CC1 ZINC000009228387 537068629 /nfs/dbraw/zinc/06/86/29/537068629.db2.gz BHRSEKFQEYPMBC-UHFFFAOYSA-N 0 0 445.475 4.249 50 0 IIAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)c1 ZINC000013574349 537078045 /nfs/dbraw/zinc/07/80/45/537078045.db2.gz IFNCRQKRWXPYJZ-UUYOSTAYSA-N 0 0 431.517 4.130 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000623389 555511386 /nfs/dbraw/zinc/51/13/86/555511386.db2.gz ZVQGOSLFLRAEIH-LJQANCHMSA-N 0 0 445.313 4.219 50 0 IIAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000000624738 555511996 /nfs/dbraw/zinc/51/19/96/555511996.db2.gz HNCYZPVCKBFJJX-UHFFFAOYSA-N 0 0 434.930 4.183 50 0 IIAARN CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)N=C1SCC(=O)NCc1ccco1 ZINC000000625429 555512395 /nfs/dbraw/zinc/51/23/95/555512395.db2.gz DACHGTQJBSCWJB-SXGWCWSVSA-N 0 0 438.336 4.195 50 0 IIAARN CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)N=C1SCC(=O)NCc1ccccc1 ZINC000000625374 555512418 /nfs/dbraw/zinc/51/24/18/555512418.db2.gz JUJKWOQYWCNMNC-MFOYZWKCSA-N 0 0 434.348 4.212 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000000627299 555513006 /nfs/dbraw/zinc/51/30/06/555513006.db2.gz UNSIRPAXHDFLBP-UHFFFAOYSA-N 0 0 441.911 4.500 50 0 IIAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000000634519 555516389 /nfs/dbraw/zinc/51/63/89/555516389.db2.gz GSJYHJAQOAOALX-NRFANRHFSA-N 0 0 435.476 4.282 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1C ZINC000000642767 555519034 /nfs/dbraw/zinc/51/90/34/555519034.db2.gz DVNUIKMBULFJPT-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc(C)ccc3C)cc21 ZINC000000645603 555520346 /nfs/dbraw/zinc/52/03/46/555520346.db2.gz PJFSWFMFIVWEQS-UHFFFAOYSA-N 0 0 429.494 4.277 50 0 IIAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000663083 555527411 /nfs/dbraw/zinc/52/74/11/555527411.db2.gz DIJGSMXVUZCCCJ-OAHLLOKOSA-N 0 0 432.259 4.358 50 0 biogenic,in-vitro IIAARN COc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1 ZINC000000671347 555531232 /nfs/dbraw/zinc/53/12/32/555531232.db2.gz METJVLVNMRGPAL-RXFWQSSRSA-N 0 0 438.568 4.449 50 0 IIAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc3c(c2)OCO3)c1C(=O)OC(C)C ZINC000000671733 555531561 /nfs/dbraw/zinc/53/15/61/555531561.db2.gz RNKVESAJNVRTSU-UHFFFAOYSA-N 0 0 433.482 4.168 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000000674138 555532773 /nfs/dbraw/zinc/53/27/73/555532773.db2.gz FCCOUWVCLZCTBR-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN CC(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000000674775 555533678 /nfs/dbraw/zinc/53/36/78/555533678.db2.gz GJNKCVILJLUVAW-ZIAGYGMSSA-N 0 0 431.256 4.444 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C ZINC000000682103 555538058 /nfs/dbraw/zinc/53/80/58/555538058.db2.gz SCWHHAYCQXEOPQ-UHFFFAOYSA-N 0 0 446.960 4.404 50 0 IIAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCC3)N1CCCC1 ZINC000000686586 555539895 /nfs/dbraw/zinc/53/98/95/555539895.db2.gz JVKJRQYUWDHDJN-UHFFFAOYSA-N 0 0 443.569 4.180 50 0 IIAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ncc(C)s1 ZINC000000686633 555540096 /nfs/dbraw/zinc/54/00/96/555540096.db2.gz BRZBGBMPATVHMC-UHFFFAOYSA-N 0 0 431.587 4.496 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 ZINC000000688746 555541383 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O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)N1CCCCC1 ZINC000000920016 555584318 /nfs/dbraw/zinc/58/43/18/555584318.db2.gz CBFBVHZZJVCKBE-UHFFFAOYSA-N 0 0 439.459 4.386 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC3CCCC3)n2)cc1OC ZINC000000919843 555584348 /nfs/dbraw/zinc/58/43/48/555584348.db2.gz RCFOCPGGKACBRC-UHFFFAOYSA-N 0 0 441.475 4.331 50 0 IIAARN CCOC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000939640 555586824 /nfs/dbraw/zinc/58/68/24/555586824.db2.gz YBEPPFGAYKGNAL-UHFFFAOYSA-N 0 0 438.789 4.318 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)OCc3ccccc3)c(=O)c12 ZINC000000955588 555590083 /nfs/dbraw/zinc/59/00/83/555590083.db2.gz WZDCSSMRGZLQOF-INIZCTEOSA-N 0 0 447.516 4.323 50 0 IIAARN Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCc2ccco2)c1 ZINC000000983613 555594288 /nfs/dbraw/zinc/59/42/88/555594288.db2.gz POAQNUDXQGKPJR-UHFFFAOYSA-N 0 0 432.549 4.362 50 0 IIAARN COc1ccc(Cn2c3nncn3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000986057 555594850 /nfs/dbraw/zinc/59/48/50/555594850.db2.gz FZAXGDXQOPABQL-UHFFFAOYSA-N 0 0 426.520 4.373 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000001004022 555600740 /nfs/dbraw/zinc/60/07/40/555600740.db2.gz JSJFEXHDWQYYQJ-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN CC(C)C(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O ZINC000001014152 555602467 /nfs/dbraw/zinc/60/24/67/555602467.db2.gz MSIUIVGXGUKILA-SFHVURJKSA-N 0 0 435.705 4.417 50 0 IIAARN COC(=O)CN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000001018630 555603047 /nfs/dbraw/zinc/60/30/47/555603047.db2.gz HRCSUZHMLFBOEJ-RGVLZGJSSA-N 0 0 438.480 4.346 50 0 IIAARN Cc1csc2c1ncnc2N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000001027169 555604770 /nfs/dbraw/zinc/60/47/70/555604770.db2.gz NJQQVASVGXHRDC-UHFFFAOYSA-N 0 0 437.447 4.252 50 0 IIAARN COc1ccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)n(C)nc2C(F)(F)F)cc1 ZINC000001030228 555605649 /nfs/dbraw/zinc/60/56/49/555605649.db2.gz KSGLOPYKQQKJIO-UHFFFAOYSA-N 0 0 435.402 4.384 50 0 IIAARN 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O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1)Nc1ccc(F)cc1 ZINC000001125679 555640541 /nfs/dbraw/zinc/64/05/41/555640541.db2.gz MKWOEQRXKMLNRS-QFIPXVFZSA-N 0 0 431.467 4.234 50 0 IIAARN CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001129083 555643105 /nfs/dbraw/zinc/64/31/05/555643105.db2.gz LMRMQYXMVXLSKA-FQEVSTJZSA-N 0 0 430.913 4.467 50 0 IIAARN CCc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000001138481 555648428 /nfs/dbraw/zinc/64/84/28/555648428.db2.gz OYOJNCVHQJKGRQ-UHFFFAOYSA-N 0 0 434.867 4.326 50 0 IIAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(C(C)C)cc2Br)n1 ZINC000001141594 555650318 /nfs/dbraw/zinc/65/03/18/555650318.db2.gz MKXVYNXVFXFNGG-UHFFFAOYSA-N 0 0 441.347 4.152 50 0 IIAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000001142113 555650733 /nfs/dbraw/zinc/65/07/33/555650733.db2.gz PZNXRGFXCRDLFB-XMMPIXPASA-N 0 0 443.572 4.375 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2cccc(C)c2C)cc1 ZINC000001142613 555650895 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50 0 IIAARN Cc1cccc(CN(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001162511 555662754 /nfs/dbraw/zinc/66/27/54/555662754.db2.gz UHLUHLIDMIUQAZ-UHFFFAOYSA-N 0 0 434.989 4.288 50 0 IIAARN Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000001171373 555666703 /nfs/dbraw/zinc/66/67/03/555666703.db2.gz SIKDMHHJIWWERE-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN CC(=O)Oc1cc(C(=O)Nc2cc(C)ccc2O)cc(C(=O)Nc2cc(C)ccc2O)c1 ZINC000001174972 555669189 /nfs/dbraw/zinc/66/91/89/555669189.db2.gz OTTACHYVFOWWPO-UHFFFAOYSA-N 0 0 434.448 4.145 50 0 IIAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(I)cc1Cl ZINC000001180582 555671396 /nfs/dbraw/zinc/67/13/96/555671396.db2.gz ALVWLYJEMXWCMZ-UHFFFAOYSA-N 0 0 430.698 4.000 50 0 IIAARN O=C(NCCc1ccccc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000001188728 555675191 /nfs/dbraw/zinc/67/51/91/555675191.db2.gz YMXBSPCBJPJQHZ-UHFFFAOYSA-N 0 0 428.467 4.236 50 0 IIAARN COc1ccc2c(c1)C1=NC(=S)N[C@H](c3cccc(I)c3)C1CC2 ZINC000001190348 555675520 /nfs/dbraw/zinc/67/55/20/555675520.db2.gz GILCXOPHRYLLAJ-QGZVFWFLSA-N 0 0 448.329 4.176 50 0 IIAARN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001190300 555675525 /nfs/dbraw/zinc/67/55/25/555675525.db2.gz XQWQOZPEHOZOCD-LJQANCHMSA-N 0 0 431.945 4.097 50 0 IIAARN CC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206813 555680837 /nfs/dbraw/zinc/68/08/37/555680837.db2.gz PLASUMGFWRNMFA-UHFFFAOYSA-N 0 0 440.496 4.171 50 0 IIAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)cc2Br ZINC000001208699 555681655 /nfs/dbraw/zinc/68/16/55/555681655.db2.gz ZWPFPVOXIQFMKG-UHFFFAOYSA-N 0 0 438.299 4.481 50 0 IIAARN O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000001229622 555686190 /nfs/dbraw/zinc/68/61/90/555686190.db2.gz DYJRCJNPTSEYSY-UHFFFAOYSA-N 0 0 437.359 4.312 50 0 IIAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000002070823 555734772 /nfs/dbraw/zinc/73/47/72/555734772.db2.gz KOCAIANWCJSXPA-UHFFFAOYSA-N 0 0 440.279 4.364 50 0 IIAARN COc1ccc(/C=C/C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1OC ZINC000002103706 555742967 /nfs/dbraw/zinc/74/29/67/555742967.db2.gz NTRLNTXFAYJAQN-VQHVLOKHSA-N 0 0 433.460 4.047 50 0 biogenic IIAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(C[C@H]2c2nc(-c3cccnc3)no2)CC1 ZINC000071890437 555744675 /nfs/dbraw/zinc/74/46/75/555744675.db2.gz MLWWFRSSMAUFET-INIZCTEOSA-N 0 0 444.944 4.052 50 0 IIAARN Cc1ccc(C(=O)NC(=S)N(CCCCO)C2CCCCC2)cc1Br ZINC000002137221 555747600 /nfs/dbraw/zinc/74/76/00/555747600.db2.gz PKWQTLPMBDNUNA-UHFFFAOYSA-N 0 0 427.408 4.179 50 0 IIAARN CC(C)C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002152166 555749695 /nfs/dbraw/zinc/74/96/95/555749695.db2.gz YFVGPKZYTLHIOX-SFHVURJKSA-N 0 0 448.302 4.430 50 0 IIAARN O=C(CSc1nc2ccccc2s1)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O ZINC000002236330 555760825 /nfs/dbraw/zinc/76/08/25/555760825.db2.gz NKARQIXOVXZZAL-LBPRGKRZSA-N 0 0 436.518 4.323 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 ZINC000002323189 555768658 /nfs/dbraw/zinc/76/86/58/555768658.db2.gz SVTOJWHAHNDQPG-UHFFFAOYSA-N 0 0 426.523 4.387 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000002412756 555777111 /nfs/dbraw/zinc/77/71/11/555777111.db2.gz SGHKGSZEAAFRCH-NRFANRHFSA-N 0 0 425.456 4.301 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)cc1 ZINC000002445870 555780151 /nfs/dbraw/zinc/78/01/51/555780151.db2.gz OBRVTQVQAKVTTE-UHFFFAOYSA-N 0 0 432.505 4.322 50 0 IIAARN CCOc1ccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000002565295 555787939 /nfs/dbraw/zinc/78/79/39/555787939.db2.gz RZMLXCCBALWXGG-CQSZACIVSA-N 0 0 426.797 4.230 50 0 IIAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCC1CC1 ZINC000034679914 555791164 /nfs/dbraw/zinc/79/11/64/555791164.db2.gz QCBBJIVMUGVQJV-UHFFFAOYSA-N 0 0 428.532 4.368 50 0 IIAARN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1 ZINC000034668510 555792419 /nfs/dbraw/zinc/79/24/19/555792419.db2.gz RKKVWAUWFKQHJZ-UHFFFAOYSA-N 0 0 429.564 4.256 50 0 IIAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccc(Cl)cc4)CC3)n2)cc1F ZINC000034678266 555796761 /nfs/dbraw/zinc/79/67/61/555796761.db2.gz ORLUMGQAIFVHNF-UHFFFAOYSA-N 0 0 442.922 4.346 50 0 IIAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl ZINC000002678307 555797803 /nfs/dbraw/zinc/79/78/03/555797803.db2.gz GEHHZQXKWFKYOG-CQSZACIVSA-N 0 0 426.797 4.462 50 0 IIAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)NCc1ccccn1 ZINC000034686499 555801388 /nfs/dbraw/zinc/80/13/88/555801388.db2.gz NXKAGUJZEOJNSU-UHFFFAOYSA-N 0 0 425.488 4.381 50 0 IIAARN CCCNC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000002739160 555807152 /nfs/dbraw/zinc/80/71/52/555807152.db2.gz VVCGVQLZRBBTLK-UHFFFAOYSA-N 0 0 427.224 4.317 50 0 IIAARN O=C(NCc1ccccc1)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000034685342 555820507 /nfs/dbraw/zinc/82/05/07/555820507.db2.gz HOGKTRHRTPBAQD-UHFFFAOYSA-N 0 0 426.973 4.049 50 0 IIAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)CC(C)(C)C ZINC000034706568 555821596 /nfs/dbraw/zinc/82/15/96/555821596.db2.gz KUUCOUYSLOMTDN-MRXNPFEDSA-N 0 0 448.596 4.479 50 0 IIAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)C[C@@H](c3ccccc3)C2)cc1 ZINC000034708706 555823444 /nfs/dbraw/zinc/82/34/44/555823444.db2.gz NZKBPAGSLBXICH-RPWUZVMVSA-N 0 0 428.532 4.258 50 0 IIAARN CCc1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000002812427 555827582 /nfs/dbraw/zinc/82/75/82/555827582.db2.gz RMNORTWRVQXENJ-UHFFFAOYSA-N 0 0 426.582 4.451 50 0 IIAARN COc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC ZINC000002813206 555827928 /nfs/dbraw/zinc/82/79/28/555827928.db2.gz QQWSUJCGJQPQEY-UHFFFAOYSA-N 0 0 436.382 4.222 50 0 IIAARN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NC4CC4)ccc3CCN2C(=O)c2ccco2)c1 ZINC000034713874 555828731 /nfs/dbraw/zinc/82/87/31/555828731.db2.gz OJIDNMJELYJVPO-BVZFJXPGSA-N 0 0 444.531 4.422 50 0 IIAARN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)N(C)C1=S ZINC000002818870 555829467 /nfs/dbraw/zinc/82/94/67/555829467.db2.gz GNFXGQSHKDFWEZ-YVLHZVERSA-N 0 0 434.920 4.486 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 ZINC000002835504 555832589 /nfs/dbraw/zinc/83/25/89/555832589.db2.gz PZMNOTSBLRHXMC-ZDUSSCGKSA-N 0 0 431.359 4.214 50 0 IIAARN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)c1 ZINC000002835516 555832598 /nfs/dbraw/zinc/83/25/98/555832598.db2.gz HZOSBBPYIQIJOY-UHFFFAOYSA-N 0 0 429.933 4.133 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Br)cc1 ZINC000002836413 555833221 /nfs/dbraw/zinc/83/32/21/555833221.db2.gz CCMDDOMPQKTCKL-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000002841109 555835567 /nfs/dbraw/zinc/83/55/67/555835567.db2.gz NQYPXYNDRKWGEC-UHFFFAOYSA-N 0 0 436.459 4.164 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000002843357 555836731 /nfs/dbraw/zinc/83/67/31/555836731.db2.gz ARDPAMXWQAKOCT-UHFFFAOYSA-N 0 0 445.522 4.217 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Br)c(Cl)c2)nnc1-c1ccco1 ZINC000002854599 555841048 /nfs/dbraw/zinc/84/10/48/555841048.db2.gz DXKHLGJBNVDEGN-UHFFFAOYSA-N 0 0 427.711 4.222 50 0 IIAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl ZINC000002858616 555843215 /nfs/dbraw/zinc/84/32/15/555843215.db2.gz QXSVCKFGYGNVOG-UHFFFAOYSA-N 0 0 436.855 4.372 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000002865492 555847077 /nfs/dbraw/zinc/84/70/77/555847077.db2.gz LKFIMOXRMLHELT-UHFFFAOYSA-N 0 0 438.549 4.305 50 0 IIAARN CSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002874299 555851404 /nfs/dbraw/zinc/85/14/04/555851404.db2.gz SBISWPGQJKKIPF-GOSISDBHSA-N 0 0 443.326 4.467 50 0 IIAARN CCc1ccc(Cc2cnc(NC(=O)CSc3nnnn3-c3ccccc3)s2)cc1 ZINC000002884817 555857576 /nfs/dbraw/zinc/85/75/76/555857576.db2.gz BWBIZKFWYAGOPI-UHFFFAOYSA-N 0 0 436.566 4.003 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 ZINC000002982308 555872846 /nfs/dbraw/zinc/87/28/46/555872846.db2.gz BVQZQIOTXRAWSA-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1ccccc1/C=C/C=c1\sc2nc(-c3ccc(OCC(C)C)cc3)nn2c1=O ZINC000002986533 555874383 /nfs/dbraw/zinc/87/43/83/555874383.db2.gz XFFZCPARJZNFTL-XNRSFFRDSA-N 0 0 433.533 4.074 50 0 IIAARN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002989018 555874511 /nfs/dbraw/zinc/87/45/11/555874511.db2.gz STNHHFLAVBYTDQ-OAHLLOKOSA-N 0 0 443.396 4.407 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000003000081 555877575 /nfs/dbraw/zinc/87/75/75/555877575.db2.gz IHQCNRNAAZTRIP-UHFFFAOYSA-N 0 0 432.881 4.473 50 0 IIAARN CCOC(=O)[C@H](CC(C)C)N(CCC(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000003027647 555881774 /nfs/dbraw/zinc/88/17/74/555881774.db2.gz KDSAKPPQKFWARG-SFHVURJKSA-N 0 0 448.423 4.464 50 0 IIAARN O=C(N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003129969 555890197 /nfs/dbraw/zinc/89/01/97/555890197.db2.gz ZZYSDLAPCBVEJV-CQSZACIVSA-N 0 0 427.136 4.240 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(F)c(F)c1)C(F)(F)F ZINC000003138676 555891477 /nfs/dbraw/zinc/89/14/77/555891477.db2.gz PIWBCEJLKCCRRV-QGZVFWFLSA-N 0 0 436.764 4.282 50 0 IIAARN Cc1ccsc1CN1CCc2nc(N3CCOCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034755723 555900811 /nfs/dbraw/zinc/90/08/11/555900811.db2.gz YKZCPSWFLUEMBH-UHFFFAOYSA-N 0 0 440.544 4.173 50 0 IIAARN COc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccccc4F)c3C2)c1 ZINC000034759337 555903768 /nfs/dbraw/zinc/90/37/68/555903768.db2.gz LXNNWIAZDYILCG-UHFFFAOYSA-N 0 0 448.498 4.215 50 0 IIAARN CCCCOc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2C(=O)N3)cc1 ZINC000034811831 555909429 /nfs/dbraw/zinc/90/94/29/555909429.db2.gz MZDASHIFCRDMTG-UHFFFAOYSA-N 0 0 427.932 4.307 50 0 IIAARN COc1ccc2c(c1)C(N1CCN(C(=O)NCc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000034814169 555910640 /nfs/dbraw/zinc/91/06/40/555910640.db2.gz SEKHOOCVSVCRKQ-UHFFFAOYSA-N 0 0 442.519 4.407 50 0 IIAARN COc1cccc([C@@H]2c3cccn3CCN2C(=O)CN(C(=O)c2cccc(F)c2)C(C)C)c1 ZINC000034795716 555917748 /nfs/dbraw/zinc/91/77/48/555917748.db2.gz KGPNWOJUONDTGN-RUZDIDTESA-N 0 0 449.526 4.118 50 0 IIAARN CCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)Nc1cc(OC)cc(OC)c1 ZINC000034796686 555918101 /nfs/dbraw/zinc/91/81/01/555918101.db2.gz AJLJYJKJUXMOOU-UHFFFAOYSA-N 0 0 426.473 4.318 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)C3CCC3)cs2)c1 ZINC000034905548 555919820 /nfs/dbraw/zinc/91/98/20/555919820.db2.gz QHTSZZWQCQRDJK-PMACEKPBSA-N 0 0 441.597 4.296 50 0 IIAARN Cc1ccc(C(C)C)c(OCc2nc(C(=O)NCCNC(=O)c3ccccc3)cs2)c1 ZINC000034905985 555920343 /nfs/dbraw/zinc/92/03/43/555920343.db2.gz PZDSFIOYPWEPQD-UHFFFAOYSA-N 0 0 437.565 4.314 50 0 IIAARN CCOC(=O)CNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908669 555922137 /nfs/dbraw/zinc/92/21/37/555922137.db2.gz LNRPZIPFCKUGEZ-SFHVURJKSA-N 0 0 429.423 4.183 50 0 IIAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000034854246 555923678 /nfs/dbraw/zinc/92/36/78/555923678.db2.gz YAAALBUYRLTYSW-RUZDIDTESA-N 0 0 438.568 4.251 50 0 IIAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)C)N(Cc1cccc(F)c1)CC2 ZINC000034855548 555923958 /nfs/dbraw/zinc/92/39/58/555923958.db2.gz DMSOADFZWXTDGY-MWTRTKDXSA-N 0 0 429.536 4.038 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000003362109 555927005 /nfs/dbraw/zinc/92/70/05/555927005.db2.gz IZJQZKNAFJSNKB-UHFFFAOYSA-N 0 0 426.494 4.147 50 0 IIAARN COc1ccc(CN2C[C@H](C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916668 555930622 /nfs/dbraw/zinc/93/06/22/555930622.db2.gz ZXLCPUGNHKTKRE-NOZRDPDXSA-N 0 0 428.532 4.144 50 0 IIAARN CCCN(Cc1cc(NC(=O)CCC(=O)OCC)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921636 555932045 /nfs/dbraw/zinc/93/20/45/555932045.db2.gz PZYWMUWNKPVYAI-UHFFFAOYSA-N 0 0 433.593 4.209 50 0 IIAARN CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003464829 555936000 /nfs/dbraw/zinc/93/60/00/555936000.db2.gz OHNQTPHMMAIRDG-HNNXBMFYSA-N 0 0 443.396 4.142 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c1 ZINC000003491011 555936654 /nfs/dbraw/zinc/93/66/54/555936654.db2.gz DTSBVORNPHDLDW-UHFFFAOYSA-N 0 0 431.517 4.184 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1OC)N(C(C)=O)c1ccccc1-2 ZINC000003640711 555943075 /nfs/dbraw/zinc/94/30/75/555943075.db2.gz JMRSNZJJJAQZJB-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000003670219 555945722 /nfs/dbraw/zinc/94/57/22/555945722.db2.gz RZMJSCGYOYAVNT-QYBDOPJKSA-N 0 0 445.519 4.030 50 0 IIAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000003670220 555945756 /nfs/dbraw/zinc/94/57/56/555945756.db2.gz RZMJSCGYOYAVNT-DWXRJYCRSA-N 0 0 445.519 4.030 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000004157243 555968978 /nfs/dbraw/zinc/96/89/78/555968978.db2.gz UXRVHNKYKPGECU-UHFFFAOYSA-N 0 0 445.899 4.442 50 0 IIAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000004207937 555976415 /nfs/dbraw/zinc/97/64/15/555976415.db2.gz RKLLRLUICMBOFD-SLDRDFCHSA-N 0 0 440.293 4.204 50 0 IIAARN COC(=O)c1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc(C(=O)OC)c1 ZINC000004869894 556016898 /nfs/dbraw/zinc/01/68/98/556016898.db2.gz VABDLPQYQONUGB-UHFFFAOYSA-N 0 0 425.481 4.325 50 0 IIAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2sccc2Br)C1 ZINC000022656845 556065700 /nfs/dbraw/zinc/06/57/00/556065700.db2.gz WZXXLAKUHQIDPC-WQGACYEGSA-N 0 0 438.318 4.281 50 0 IIAARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088656 556075635 /nfs/dbraw/zinc/07/56/35/556075635.db2.gz IEEYAOZRFWPLEB-SFHVURJKSA-N 0 0 431.539 4.048 50 0 IIAARN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@H](C)C3)cc2c1 ZINC000006197981 556080234 /nfs/dbraw/zinc/08/02/34/556080234.db2.gz BXPZLOIJWAAZLC-SBUREZEXSA-N 0 0 434.588 4.404 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1 ZINC000002623707 556114753 /nfs/dbraw/zinc/11/47/53/556114753.db2.gz LOCVRZKXZVHRGT-UHFFFAOYSA-N 0 0 427.533 4.319 50 0 IIAARN COCCCNC(=O)c1c(NC(=O)COc2c(C)cc(C)cc2C)sc2c1CCCC2 ZINC000002665840 556119881 /nfs/dbraw/zinc/11/98/81/556119881.db2.gz RLFKAFNSAIAGJY-UHFFFAOYSA-N 0 0 444.597 4.336 50 0 IIAARN CCOc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(F)cc3c2=O)cc1 ZINC000002692556 556120569 /nfs/dbraw/zinc/12/05/69/556120569.db2.gz ANQQOIDGLHLBEN-UHFFFAOYSA-N 0 0 437.492 4.420 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)sc2c1CC[C@H](C)C2 ZINC000002709908 556124741 /nfs/dbraw/zinc/12/47/41/556124741.db2.gz KYRIJMCBIPDPEW-NPMABZOXSA-N 0 0 427.522 4.160 50 0 IIAARN O=C(CSc1nccc(C(F)(F)F)n1)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002731254 556134485 /nfs/dbraw/zinc/13/44/85/556134485.db2.gz MDGFSRUVYJLZQK-UHFFFAOYSA-N 0 0 445.829 4.264 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)o1)C[C@H](C)CC2 ZINC000002809473 556146940 /nfs/dbraw/zinc/14/69/40/556146940.db2.gz ZVYGNAWPFLYYSG-LLVKDONJSA-N 0 0 447.538 4.423 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 ZINC000033293184 556150713 /nfs/dbraw/zinc/15/07/13/556150713.db2.gz HLGTXTHWAYROQI-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccccc4)CC3=O)cc2)cc1 ZINC000008384201 556160045 /nfs/dbraw/zinc/16/00/45/556160045.db2.gz LNRXJDLCGRIXAW-LJQANCHMSA-N 0 0 445.471 4.267 50 0 IIAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1)c1ccc(Cl)cc1 ZINC000008384151 556160049 /nfs/dbraw/zinc/16/00/49/556160049.db2.gz UTTZLRYHSJKCLO-MRXNPFEDSA-N 0 0 440.908 4.243 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000008439307 556175489 /nfs/dbraw/zinc/17/54/89/556175489.db2.gz UEOSFDXCDSVKGJ-UHFFFAOYSA-N 0 0 433.457 4.107 50 0 IIAARN Cc1ccc(C2=N/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)O2)cc1 ZINC000008443059 556178038 /nfs/dbraw/zinc/17/80/38/556178038.db2.gz ZIVPWDDCKUAJLT-QNGOZBTKSA-N 0 0 433.485 4.416 50 0 IIAARN O=C(N=S1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000008648420 556196005 /nfs/dbraw/zinc/19/60/05/556196005.db2.gz MVUCWZZSBAAGAW-UHFFFAOYSA-N 0 0 446.381 4.032 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000008722851 556203656 /nfs/dbraw/zinc/20/36/56/556203656.db2.gz DSZVMVKMYIUPTJ-LLVKDONJSA-N 0 0 425.710 4.210 50 0 IIAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)NC1CCCC1 ZINC000010603271 556204123 /nfs/dbraw/zinc/20/41/23/556204123.db2.gz UQQCIEGJAHZKAN-UHFFFAOYSA-N 0 0 426.538 4.251 50 0 IIAARN CCCCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740413 556206185 /nfs/dbraw/zinc/20/61/85/556206185.db2.gz LKTAAXAVMICVEO-XGRCMKMKSA-N 0 0 430.526 4.167 50 0 biogenic IIAARN C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008787859 556215277 /nfs/dbraw/zinc/21/52/77/556215277.db2.gz ACADVRBHPHPJCW-HNNXBMFYSA-N 0 0 426.505 4.419 50 0 IIAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000008856458 556227330 /nfs/dbraw/zinc/22/73/30/556227330.db2.gz IAQQPKKCHJCVJZ-RUZDIDTESA-N 0 0 441.531 4.077 50 0 biogenic,in-vitro IIAARN Cc1nc2ccccc2n1Cc1nnc2sc(-c3ccc(F)c(Br)c3)nn12 ZINC000008992514 556239204 /nfs/dbraw/zinc/23/92/04/556239204.db2.gz AUBXICHQZOEGQQ-UHFFFAOYSA-N 0 0 443.305 4.461 50 0 IIAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1Cl)N2c1ccccc1 ZINC000009061309 556244227 /nfs/dbraw/zinc/24/42/27/556244227.db2.gz NXEMLCIQSGQHGY-SJORKVTESA-N 0 0 427.378 4.268 50 0 IIAARN O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1)c1ccc(Cl)cc1Cl ZINC000009134693 556248841 /nfs/dbraw/zinc/24/88/41/556248841.db2.gz NZNXLGZPCJJFBM-UHFFFAOYSA-N 0 0 446.312 4.210 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009196992 556254725 /nfs/dbraw/zinc/25/47/25/556254725.db2.gz NOXVOYFGSUHRCP-RTBURBONSA-N 0 0 427.961 4.454 50 0 IIAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)c1 ZINC000009198594 556256419 /nfs/dbraw/zinc/25/64/19/556256419.db2.gz RSVYHDBKKTWQIQ-INIZCTEOSA-N 0 0 438.578 4.406 50 0 IIAARN CCOc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 ZINC000009199799 556257405 /nfs/dbraw/zinc/25/74/05/556257405.db2.gz JSHZUPRSXNGOEC-MRXNPFEDSA-N 0 0 436.537 4.272 50 0 IIAARN O=C(Cn1nnnc1-c1ccc(Br)cc1)N(c1ccccc1)c1ccccc1 ZINC000009224915 556258683 /nfs/dbraw/zinc/25/86/83/556258683.db2.gz KMZFWIVKWYQMRD-UHFFFAOYSA-N 0 0 434.297 4.468 50 0 IIAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000009225692 556259525 /nfs/dbraw/zinc/25/95/25/556259525.db2.gz PJCHOSOCMNVAKK-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN CS(=O)(=O)N(CCCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000009226346 556260357 /nfs/dbraw/zinc/26/03/57/556260357.db2.gz OXSGETSWBNULMU-UHFFFAOYSA-N 0 0 449.016 4.368 50 0 IIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(F)c3)c2c1 ZINC000009228304 556261025 /nfs/dbraw/zinc/26/10/25/556261025.db2.gz FUYZZCPNGXVEQV-UHFFFAOYSA-N 0 0 431.467 4.400 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009236547 556264089 /nfs/dbraw/zinc/26/40/89/556264089.db2.gz WQSJWOIEDWHQJM-WOJBJXKFSA-N 0 0 431.496 4.482 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009237665 556264402 /nfs/dbraw/zinc/26/44/02/556264402.db2.gz ZSLQUUICHVPGRX-HZPDHXFCSA-N 0 0 437.422 4.142 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009238984 556265253 /nfs/dbraw/zinc/26/52/53/556265253.db2.gz GKYXPNIHRNZNBT-OALUTQOASA-N 0 0 443.960 4.345 50 0 IIAARN O=C1N/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000009260762 556268652 /nfs/dbraw/zinc/26/86/52/556268652.db2.gz UWVNFARIJMXPGL-OQLLNIDSSA-N 0 0 436.103 4.305 50 0 IIAARN COc1cc(OC)c([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000009288518 556272840 /nfs/dbraw/zinc/27/28/40/556272840.db2.gz YYHSUSFEGNQJEH-QFIPXVFZSA-N 0 0 437.496 4.303 50 0 IIAARN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000013689603 556278956 /nfs/dbraw/zinc/27/89/56/556278956.db2.gz AZBQINHTUGCKKG-IAGOWNOFSA-N 0 0 427.378 4.268 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)ccn3n2)cc1 ZINC000009321189 556281042 /nfs/dbraw/zinc/28/10/42/556281042.db2.gz TYFCPSIYUDYEHI-UHFFFAOYSA-N 0 0 436.899 4.162 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1C[C@@H](c1ccco1)N1CCCC1 ZINC000009418907 556289120 /nfs/dbraw/zinc/28/91/20/556289120.db2.gz NTSXTJZIJLFBGY-WMZHIEFXSA-N 0 0 441.487 4.163 50 0 IIAARN O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000009425486 556289943 /nfs/dbraw/zinc/28/99/43/556289943.db2.gz NZGWDIBLZMBNGD-UHFFFAOYSA-N 0 0 438.549 4.005 50 0 IIAARN COc1cc(-c2nnc3sc(-c4ccccc4Br)nn32)cc(OC)c1OC ZINC000009432005 556291166 /nfs/dbraw/zinc/29/11/66/556291166.db2.gz JYJBHIPPRQBWEM-UHFFFAOYSA-N 0 0 447.314 4.308 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccc(OC)c1 ZINC000009479979 556293840 /nfs/dbraw/zinc/29/38/40/556293840.db2.gz LWZWFNSFEWAUHJ-UHFFFAOYSA-N 0 0 447.358 4.467 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(Cl)c1 ZINC000009497298 556295046 /nfs/dbraw/zinc/29/50/46/556295046.db2.gz FQHBIBBYTXMNFC-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000009541121 556297368 /nfs/dbraw/zinc/29/73/68/556297368.db2.gz XMQVBAONGKWXKU-KRWDZBQOSA-N 0 0 443.617 4.026 50 0 IIAARN O=C(N[C@@H](C(=O)NCc1cccnc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013734769 556297445 /nfs/dbraw/zinc/29/74/45/556297445.db2.gz VFUTVKOZRBRQNO-AREMUKBSSA-N 0 0 435.527 4.387 50 0 IIAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)c1 ZINC000009559787 556298209 /nfs/dbraw/zinc/29/82/09/556298209.db2.gz LWGVWNBGLYRDRM-KRWDZBQOSA-N 0 0 449.503 4.489 50 0 IIAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569606 556299800 /nfs/dbraw/zinc/29/98/00/556299800.db2.gz JGJVLRBNFRGUMZ-KRWDZBQOSA-N 0 0 429.542 4.065 50 0 IIAARN Cc1sc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)nc1-c1ccc(C)cc1 ZINC000009581268 556300480 /nfs/dbraw/zinc/30/04/80/556300480.db2.gz BZNRQMTUISDNHJ-IBGZPJMESA-N 0 0 434.517 4.206 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nnc3ccccn32)c2ccccc2)cc1 ZINC000032741600 556303162 /nfs/dbraw/zinc/30/31/62/556303162.db2.gz AZJLRRADTATFFK-FQEVSTJZSA-N 0 0 438.578 4.240 50 0 IIAARN CC(=O)Nc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 ZINC000009614825 556304010 /nfs/dbraw/zinc/30/40/10/556304010.db2.gz TVETXQNTBUDZBV-UHFFFAOYSA-N 0 0 428.315 4.024 50 0 IIAARN CCCCc1ccc(NC(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661589 556304651 /nfs/dbraw/zinc/30/46/51/556304651.db2.gz TXFUXLICCUCQHQ-UHFFFAOYSA-N 0 0 444.535 4.380 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000009830327 556310713 /nfs/dbraw/zinc/31/07/13/556310713.db2.gz IFCVPTXDWIHFHT-UHFFFAOYSA-N 0 0 434.496 4.018 50 0 IIAARN COc1cc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC ZINC000009846617 556313567 /nfs/dbraw/zinc/31/35/67/556313567.db2.gz ZUBYKICCFLGWPF-UHFFFAOYSA-N 0 0 434.517 4.410 50 0 IIAARN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)oc21 ZINC000032744953 556314404 /nfs/dbraw/zinc/31/44/04/556314404.db2.gz UEGNAWOZGPXXLM-MRXNPFEDSA-N 0 0 442.537 4.107 50 0 IIAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1nnc2ccccn21)c1ccccc1 ZINC000032747580 556316699 /nfs/dbraw/zinc/31/66/99/556316699.db2.gz OXDOQINUYDXKFR-DEOSSOPVSA-N 0 0 427.533 4.156 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 ZINC000009933962 556317171 /nfs/dbraw/zinc/31/71/71/556317171.db2.gz RLSLCDHOCWXKGB-FQEVSTJZSA-N 0 0 434.883 4.101 50 0 IIAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(OC)c(Cl)c4)c3)nn12 ZINC000010010223 556322006 /nfs/dbraw/zinc/32/20/06/556322006.db2.gz NXHXFQBOIPIIBL-UHFFFAOYSA-N 0 0 443.916 4.338 50 0 IIAARN CCn1nc(C(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)c2ccccc2c1=O ZINC000032753632 556322896 /nfs/dbraw/zinc/32/28/96/556322896.db2.gz ZXSFDFGKYKZDFW-UHFFFAOYSA-N 0 0 438.814 4.037 50 0 IIAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCSc1nc2ccccc2s1 ZINC000032754227 556323425 /nfs/dbraw/zinc/32/34/25/556323425.db2.gz UAPHHNCCQIBIJQ-AWEZNQCLSA-N 0 0 434.608 4.402 50 0 IIAARN Nc1cc(=O)nc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000010059004 556323807 /nfs/dbraw/zinc/32/38/07/556323807.db2.gz ZMASJEBVWACVRM-UHFFFAOYSA-N 0 0 428.517 4.272 50 0 IIAARN Cn1c2ccc(S(=O)(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc2oc1=O ZINC000032754927 556324326 /nfs/dbraw/zinc/32/43/26/556324326.db2.gz BJYCGHBCZSDDJE-UHFFFAOYSA-N 0 0 437.502 4.209 50 0 IIAARN CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)nc1-c1ccccc1 ZINC000010060480 556324720 /nfs/dbraw/zinc/32/47/20/556324720.db2.gz KXXXXDCYAKXLKB-UHFFFAOYSA-N 0 0 428.539 4.124 50 0 IIAARN CC(C)c1cccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000032759036 556324905 /nfs/dbraw/zinc/32/49/05/556324905.db2.gz VTUPTMQKBRWCER-UHFFFAOYSA-N 0 0 439.320 4.430 50 0 IIAARN O=C(NCc1cccnc1-n1ccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000032778132 556331131 /nfs/dbraw/zinc/33/11/31/556331131.db2.gz PRFWJDAWFDWVSE-UHFFFAOYSA-N 0 0 426.505 4.112 50 0 IIAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000032768204 556333290 /nfs/dbraw/zinc/33/32/90/556333290.db2.gz PLMGJJPDRHNRJA-UHFFFAOYSA-N 0 0 435.871 4.337 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3nc(-c4ccco4)sc3C)n2)o1 ZINC000032772390 556335158 /nfs/dbraw/zinc/33/51/58/556335158.db2.gz GNDORBZRMUGIAR-UHFFFAOYSA-N 0 0 428.495 4.316 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 ZINC000032772781 556335665 /nfs/dbraw/zinc/33/56/65/556335665.db2.gz HJXICFRBKAYGSG-SFHVURJKSA-N 0 0 427.917 4.023 50 0 IIAARN Cc1c2c(cc(=O)n1Cc1ccccc1)n(Cc1ccccc1)n(-c1ccc(F)cc1)c2=O ZINC000010493843 556336270 /nfs/dbraw/zinc/33/62/70/556336270.db2.gz IBEKNFNDBLPMHM-UHFFFAOYSA-N 0 0 439.490 4.498 50 0 IIAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1cccc(C)c1 ZINC000013941749 556338682 /nfs/dbraw/zinc/33/86/82/556338682.db2.gz LIZOCNBKWSDWGC-OEAKJJBVSA-N 0 0 428.513 4.353 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3n1C(C)=O)CCC2 ZINC000013942887 556340414 /nfs/dbraw/zinc/34/04/14/556340414.db2.gz TUGSVKNLKAWAEQ-UHFFFAOYSA-N 0 0 443.550 4.154 50 0 IIAARN COc1cc(SC)ccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000013944405 556341584 /nfs/dbraw/zinc/34/15/84/556341584.db2.gz TXPYCLPOANQTJG-CYBMUJFWSA-N 0 0 440.550 4.041 50 0 IIAARN O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944706 556342047 /nfs/dbraw/zinc/34/20/47/556342047.db2.gz YVTFLGMDWFAZEQ-AWEZNQCLSA-N 0 0 438.940 4.461 50 0 IIAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)cc2)N(c2nnc(C)s2)C1=O ZINC000011614522 556342444 /nfs/dbraw/zinc/34/24/44/556342444.db2.gz BZBHNWPDYVOFIE-QGZVFWFLSA-N 0 0 439.880 4.365 50 0 IIAARN Cc1nnsc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000011661417 556343056 /nfs/dbraw/zinc/34/30/56/556343056.db2.gz ZXLJQVIIGOEUTD-ZDUSSCGKSA-N 0 0 426.464 4.136 50 0 IIAARN CCCCc1nc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664844 556345757 /nfs/dbraw/zinc/34/57/57/556345757.db2.gz WLORZLFPILEHQQ-GOSISDBHSA-N 0 0 429.008 4.466 50 0 IIAARN CCc1ccc(CN(C)C(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cc1 ZINC000011783249 556351855 /nfs/dbraw/zinc/35/18/55/556351855.db2.gz ZMHVGZOXCZKDDR-RUZDIDTESA-N 0 0 426.532 4.027 50 0 IIAARN COc1cc(Br)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1OC ZINC000014009709 556354466 /nfs/dbraw/zinc/35/44/66/556354466.db2.gz CHOLHYHLMNWYMU-AUWJEWJLSA-N 0 0 437.677 4.217 50 0 IIAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N[C@H](c1cccnc1)C(F)(F)F ZINC000011791034 556356118 /nfs/dbraw/zinc/35/61/18/556356118.db2.gz WCPGRGAYIDGLOJ-UXHICEINSA-N 0 0 439.865 4.126 50 0 IIAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000011815323 556358481 /nfs/dbraw/zinc/35/84/81/556358481.db2.gz SIQUNIWHHDZQNR-IBGZPJMESA-N 0 0 435.524 4.224 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000032802263 556364957 /nfs/dbraw/zinc/36/49/57/556364957.db2.gz CTLZFCXQQZGSSA-KRWDZBQOSA-N 0 0 427.917 4.379 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014095843 556367569 /nfs/dbraw/zinc/36/75/69/556367569.db2.gz LBCNKLHIBSESOB-UHFFFAOYSA-N 0 0 442.468 4.040 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000014109283 556369133 /nfs/dbraw/zinc/36/91/33/556369133.db2.gz KTGIDMIUPSDAIS-UHFFFAOYSA-N 0 0 443.503 4.256 50 0 IIAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000014109948 556369146 /nfs/dbraw/zinc/36/91/46/556369146.db2.gz TYZSUMGANXELKW-PZJWPPBQSA-N 0 0 437.521 4.283 50 0 IIAARN CN(Cc1cccc(F)c1)C(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O ZINC000014126013 556373436 /nfs/dbraw/zinc/37/34/36/556373436.db2.gz YVKQJIFLJSIYHR-UHFFFAOYSA-N 0 0 443.522 4.370 50 0 IIAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NC(=O)NCc2ccco2)n1 ZINC000014137442 556375396 /nfs/dbraw/zinc/37/53/96/556375396.db2.gz IXJIAWMFJSKIFI-UHFFFAOYSA-N 0 0 438.534 4.378 50 0 IIAARN COc1ccc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)cc1 ZINC000011913128 556375903 /nfs/dbraw/zinc/37/59/03/556375903.db2.gz ZLUVBQRZSBYBJE-NRFANRHFSA-N 0 0 432.520 4.348 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000014139551 556376100 /nfs/dbraw/zinc/37/61/00/556376100.db2.gz QGXIZOYMROBUMI-UHFFFAOYSA-N 0 0 431.517 4.308 50 0 IIAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)c(C)cc3O)[nH]n1)CCCC2 ZINC000011914588 556376210 /nfs/dbraw/zinc/37/62/10/556376210.db2.gz RDUSHXGFUMSTAS-UHFFFAOYSA-N 0 0 438.553 4.341 50 0 IIAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)cc(OC)c1 ZINC000011932825 556376414 /nfs/dbraw/zinc/37/64/14/556376414.db2.gz XIENJECPSPIKIU-INIZCTEOSA-N 0 0 444.503 4.123 50 0 IIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)no1 ZINC000011937727 556379520 /nfs/dbraw/zinc/37/95/20/556379520.db2.gz UUAYXXGCZNRQRF-QGZVFWFLSA-N 0 0 434.496 4.476 50 0 IIAARN CCN(Cc1ccccc1)C(=O)c1cc2ncn(CCc3ccccn3)c2c(NC(C)=O)c1 ZINC000011964876 556381437 /nfs/dbraw/zinc/38/14/37/556381437.db2.gz MFRCTEOUSKQWKH-UHFFFAOYSA-N 0 0 441.535 4.295 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)s2)cs1 ZINC000014180250 556382288 /nfs/dbraw/zinc/38/22/88/556382288.db2.gz USEATSYZYAGCRD-RHSMWYFYSA-N 0 0 425.579 4.406 50 0 IIAARN CSc1ccc(C[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)cc1 ZINC000011976323 556383024 /nfs/dbraw/zinc/38/30/24/556383024.db2.gz WESROKSBXHEEAJ-RUZDIDTESA-N 0 0 435.593 4.220 50 0 IIAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccc(Br)c1 ZINC000014185158 556385084 /nfs/dbraw/zinc/38/50/84/556385084.db2.gz MXZFXIRZXMJJBW-UHFFFAOYSA-N 0 0 436.331 4.098 50 0 IIAARN Cc1nonc1[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012001421 556385602 /nfs/dbraw/zinc/38/56/02/556385602.db2.gz IJXHNIGENMBPIM-NRFANRHFSA-N 0 0 443.507 4.356 50 0 IIAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000014185959 556385660 /nfs/dbraw/zinc/38/56/60/556385660.db2.gz PTVKTQOCPZJTPJ-UHFFFAOYSA-N 0 0 447.560 4.394 50 0 IIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn32)c1Cl ZINC000014196637 556388392 /nfs/dbraw/zinc/38/83/92/556388392.db2.gz NCEXUDBPEJLJDT-AWEZNQCLSA-N 0 0 425.341 4.179 50 0 IIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cc2ccccc2o1 ZINC000014202217 556392357 /nfs/dbraw/zinc/39/23/57/556392357.db2.gz JUFNDTLFSYJVNI-KRWDZBQOSA-N 0 0 434.517 4.402 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)s2)cc1F ZINC000032817101 556393142 /nfs/dbraw/zinc/39/31/42/556393142.db2.gz FUUZUVDPUIZELJ-MRXNPFEDSA-N 0 0 427.501 4.265 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000012062146 556395422 /nfs/dbraw/zinc/39/54/22/556395422.db2.gz ZNKREMKEWBXAGY-HXUWFJFHSA-N 0 0 430.552 4.268 50 0 IIAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)CCn2cnc3ccccc32)CC1 ZINC000012076133 556397429 /nfs/dbraw/zinc/39/74/29/556397429.db2.gz GXYSJZGXMDNAAR-UHFFFAOYSA-N 0 0 433.552 4.231 50 0 IIAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000032811067 556397863 /nfs/dbraw/zinc/39/78/63/556397863.db2.gz WTEKKFVQKMNGRE-NRFANRHFSA-N 0 0 430.526 4.082 50 0 IIAARN CCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000032811088 556397887 /nfs/dbraw/zinc/39/78/87/556397887.db2.gz PBPCYKNTFYGNFG-UHFFFAOYSA-N 0 0 428.323 4.340 50 0 IIAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000014231479 556397902 /nfs/dbraw/zinc/39/79/02/556397902.db2.gz KCVVGXOMLLYXQK-UHFFFAOYSA-N 0 0 430.483 4.467 50 0 IIAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CCOc1ccccc1Cl ZINC000014232965 556398529 /nfs/dbraw/zinc/39/85/29/556398529.db2.gz SYKSUGRUTDKHNR-UHFFFAOYSA-N 0 0 434.923 4.495 50 0 IIAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000014241714 556402048 /nfs/dbraw/zinc/40/20/48/556402048.db2.gz FCPYFZUOLGDGHL-RUZDIDTESA-N 0 0 446.576 4.217 50 0 IIAARN Cc1ccc(CN(C)CC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)o1 ZINC000014244577 556404229 /nfs/dbraw/zinc/40/42/29/556404229.db2.gz XMOSRSZXKAKNAQ-UHFFFAOYSA-N 0 0 446.551 4.108 50 0 IIAARN COc1ccc(CNC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(OC)c1 ZINC000032579172 556404794 /nfs/dbraw/zinc/40/47/94/556404794.db2.gz XRKWHXGRQNZAJE-UHFFFAOYSA-N 0 0 445.475 4.263 50 0 IIAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000014245708 556405531 /nfs/dbraw/zinc/40/55/31/556405531.db2.gz ZEDJCQHNOLGCDG-VGSWGCGISA-N 0 0 442.491 4.136 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(C)cc4)cc3)n2)cc1 ZINC000032578836 556405737 /nfs/dbraw/zinc/40/57/37/556405737.db2.gz YXVMJTRBFPVCMW-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN COc1cccc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1OC ZINC000032578945 556406071 /nfs/dbraw/zinc/40/60/71/556406071.db2.gz SJVARVQBZZEUPM-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)COc3ccc(-c4nc(C(C)C)no4)cc3)CC2)c1 ZINC000032579085 556406393 /nfs/dbraw/zinc/40/63/93/556406393.db2.gz FGQGDGCIEIFVTH-UHFFFAOYSA-N 0 0 434.540 4.204 50 0 IIAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000014246730 556406575 /nfs/dbraw/zinc/40/65/75/556406575.db2.gz PEIFFESRUFMRIB-UHFFFAOYSA-N 0 0 449.410 4.096 50 0 IIAARN COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1 ZINC000014249827 556408396 /nfs/dbraw/zinc/40/83/96/556408396.db2.gz OIGFUKWHQLAFEB-INIZCTEOSA-N 0 0 427.522 4.169 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(N4CCCC4)nc3)CCCC2)c1 ZINC000032614743 556408882 /nfs/dbraw/zinc/40/88/82/556408882.db2.gz SLLNGYSGTGIOMS-UHFFFAOYSA-N 0 0 427.570 4.024 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC000032824572 556409807 /nfs/dbraw/zinc/40/98/07/556409807.db2.gz DOFOMLLZXNATJP-LJQANCHMSA-N 0 0 440.931 4.352 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4OC)cc3)n2)cc1 ZINC000032624059 556411191 /nfs/dbraw/zinc/41/11/91/556411191.db2.gz MIIHSQHOJLGBHF-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000032827844 556411461 /nfs/dbraw/zinc/41/14/61/556411461.db2.gz GHHHBDWGPUXCQB-ZDUSSCGKSA-N 0 0 427.302 4.084 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(-n2cnnc2)c1 ZINC000032646931 556412886 /nfs/dbraw/zinc/41/28/86/556412886.db2.gz BUTUPABGHDFFLH-UHFFFAOYSA-N 0 0 439.947 4.491 50 0 IIAARN Cc1cc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1CCC(C)C ZINC000014358254 556414166 /nfs/dbraw/zinc/41/41/66/556414166.db2.gz XQVMBLRXWIMPPA-UHFFFAOYSA-N 0 0 442.600 4.210 50 0 IIAARN COc1ccccc1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000014389724 556415447 /nfs/dbraw/zinc/41/54/47/556415447.db2.gz RPYYOAJIJITPPM-UHFFFAOYSA-N 0 0 436.533 4.457 50 0 IIAARN CCn1c(SCc2nc3ccccc3c(=O)n2Cc2ccco2)nnc1-c1ccco1 ZINC000012972580 556419290 /nfs/dbraw/zinc/41/92/90/556419290.db2.gz AYSXTWMEGKTYKL-UHFFFAOYSA-N 0 0 433.493 4.202 50 0 IIAARN Cc1nc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)c(C(N)=O)c(C)c1C ZINC000012974418 556420323 /nfs/dbraw/zinc/42/03/23/556420323.db2.gz KODYTTDUOXLREG-UHFFFAOYSA-N 0 0 447.604 4.469 50 0 IIAARN Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000012981019 556424541 /nfs/dbraw/zinc/42/45/41/556424541.db2.gz UHGMCOXLOMIKNW-AWEZNQCLSA-N 0 0 448.180 4.076 50 0 IIAARN CC(=O)N(c1nc(COC(=O)c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1F ZINC000032841142 556426707 /nfs/dbraw/zinc/42/67/07/556426707.db2.gz YXEYEKVTHQQAOO-UHFFFAOYSA-N 0 0 439.468 4.209 50 0 IIAARN 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CCCCN1C(=S)SC(C)(C)[C@H]1n1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000003090149 556519265 /nfs/dbraw/zinc/51/92/65/556519265.db2.gz VKEFQXHTISYOPN-CYBMUJFWSA-N 0 0 448.397 4.310 50 0 IIAARN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)ccc1Cl ZINC000072300908 556523610 /nfs/dbraw/zinc/52/36/10/556523610.db2.gz QCAUZBMOPNSWCR-AWEZNQCLSA-N 0 0 428.904 4.124 50 0 IIAARN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000013576174 556525869 /nfs/dbraw/zinc/52/58/69/556525869.db2.gz QMWKRVGYXNDQQM-KACMKLLYSA-N 0 0 449.507 4.258 50 0 IIAARN Cc1cc(C(=O)CCC(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c(C)s1 ZINC000013592258 556530401 /nfs/dbraw/zinc/53/04/01/556530401.db2.gz MUWLJQBGTARVCH-UHFFFAOYSA-N 0 0 444.866 4.359 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCc1nc(N)nc(Nc2ccccc2)n1 ZINC000015495206 556530975 /nfs/dbraw/zinc/53/09/75/556530975.db2.gz BWUNHKJKGGHFRI-CYBMUJFWSA-N 0 0 428.949 4.420 50 0 IIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1 ZINC000015496268 556531018 /nfs/dbraw/zinc/53/10/18/556531018.db2.gz FIDFGMAYJQPLKK-CQSZACIVSA-N 0 0 426.521 4.214 50 0 IIAARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013596953 556532340 /nfs/dbraw/zinc/53/23/40/556532340.db2.gz QGSYQWMAQIQJSC-FXKZBUDASA-N 0 0 438.948 4.063 50 0 IIAARN COCc1nn2c(ncc3c2C[C@@H](c2ccc(OC)cc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638327 556541856 /nfs/dbraw/zinc/54/18/56/556541856.db2.gz BOXYZIQUBKXFBY-GOSISDBHSA-N 0 0 443.503 4.473 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCOCC2)cc1 ZINC000015669166 556541945 /nfs/dbraw/zinc/54/19/45/556541945.db2.gz XFYPWGDMWXKNDW-SFHVURJKSA-N 0 0 430.957 4.367 50 0 IIAARN Cc1cc(C)cc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015684611 556543397 /nfs/dbraw/zinc/54/33/97/556543397.db2.gz SNPMINGYHSSILZ-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN Cc1cccc(CNC(=O)CN(C(=O)C2=C(C)OCCS2)c2ccc(Cl)cc2)c1 ZINC000015724457 556545775 /nfs/dbraw/zinc/54/57/75/556545775.db2.gz SOZYXERRGGGJPM-UHFFFAOYSA-N 0 0 430.957 4.293 50 0 IIAARN COc1ccc(C)cc1NC(=O)N1CCC(N2CCN(Cc3cccc(C)c3)C2=O)CC1 ZINC000064989068 556547034 /nfs/dbraw/zinc/54/70/34/556547034.db2.gz LEQRXHYGCVPONB-UHFFFAOYSA-N 0 0 436.556 4.246 50 0 IIAARN CNc1nc(Nc2ccc(Br)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000004433459 556548711 /nfs/dbraw/zinc/54/87/11/556548711.db2.gz SBMFLHMEPYOCFI-UHFFFAOYSA-N 0 0 446.149 4.291 50 0 IIAARN O=C(NCc1ccccc1)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 ZINC000015767437 556549176 /nfs/dbraw/zinc/54/91/76/556549176.db2.gz AQRTYCHYUHAKDF-QGOAFFKASA-N 0 0 425.282 4.129 50 0 IIAARN COC(=O)CCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccc(F)c1F ZINC000072305334 556550462 /nfs/dbraw/zinc/55/04/62/556550462.db2.gz DQJYRCYDBUTUEX-UHFFFAOYSA-N 0 0 444.450 4.283 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccs2)c(Br)c1 ZINC000048344950 556556338 /nfs/dbraw/zinc/55/63/38/556556338.db2.gz MEQYKWSMPULLRW-NSHDSACASA-N 0 0 432.361 4.069 50 0 IIAARN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 ZINC000015859648 556558281 /nfs/dbraw/zinc/55/82/81/556558281.db2.gz UXXYXCKNCGEFCU-QHCPKHFHSA-N 0 0 433.552 4.442 50 0 IIAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)Nc3ccccc3C)nn12 ZINC000033274428 556558516 /nfs/dbraw/zinc/55/85/16/556558516.db2.gz HBZWVJNBHKZQIE-UHFFFAOYSA-N 0 0 441.466 4.101 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033274601 556558687 /nfs/dbraw/zinc/55/86/87/556558687.db2.gz OGXYFRUINBMTDY-UHFFFAOYSA-N 0 0 448.588 4.440 50 0 IIAARN CCCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000032907254 556558783 /nfs/dbraw/zinc/55/87/83/556558783.db2.gz LRWQJSSZPCTQQZ-HXUWFJFHSA-N 0 0 438.597 4.309 50 0 IIAARN O=C(c1ccc(SCc2cc(=O)oc3cc(Br)ccc23)nc1)N1CCCC1 ZINC000032907199 556558802 /nfs/dbraw/zinc/55/88/02/556558802.db2.gz MVRVQENCKNXQEQ-UHFFFAOYSA-N 0 0 445.338 4.479 50 0 IIAARN CN1CCc2nc(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000032907399 556559118 /nfs/dbraw/zinc/55/91/18/556559118.db2.gz SBSNXCPTXJIEMX-UHFFFAOYSA-N 0 0 439.928 4.482 50 0 IIAARN Brc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 ZINC000015866484 556559139 /nfs/dbraw/zinc/55/91/39/556559139.db2.gz MVSLUSJVJSRLCI-HUUCEWRRSA-N 0 0 435.123 4.344 50 0 IIAARN CC(C)[C@@H](C)CC(=O)NC1CCC(NC(=O)C2CCN(C(=O)C[C@H](C)C(C)C)CC2)CC1 ZINC000072306379 556559863 /nfs/dbraw/zinc/55/98/63/556559863.db2.gz YLAZMRHYZOPKKK-LHAJZYKRSA-N 0 0 449.680 4.133 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1-n1cccc1 ZINC000015881952 556560959 /nfs/dbraw/zinc/56/09/59/556560959.db2.gz UMOLFNKVMAHEEL-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1-n1cccc1 ZINC000015882530 556561210 /nfs/dbraw/zinc/56/12/10/556561210.db2.gz AVRVCJDGDJPECT-UHFFFAOYSA-N 0 0 425.539 4.167 50 0 IIAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nc(C)n2)cc1 ZINC000033326804 556561707 /nfs/dbraw/zinc/56/17/07/556561707.db2.gz AJZXJSKBFNOFDK-UHFFFAOYSA-N 0 0 438.482 4.469 50 0 IIAARN O=C(NCc1ccccc1)NC1(C(=O)NCc2ccccc2OC(F)(F)F)CCCC1 ZINC000032907964 556563891 /nfs/dbraw/zinc/56/38/91/556563891.db2.gz XOTNSHQEJWXAFV-UHFFFAOYSA-N 0 0 435.446 4.014 50 0 IIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000015931198 556565064 /nfs/dbraw/zinc/56/50/64/556565064.db2.gz DRRKPMAHZPLAIH-UHFFFAOYSA-N 0 0 442.556 4.254 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000072308332 556566262 /nfs/dbraw/zinc/56/62/62/556566262.db2.gz PRTMJXKLEKSFTR-FQEVSTJZSA-N 0 0 433.552 4.287 50 0 IIAARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000015952678 556569117 /nfs/dbraw/zinc/56/91/17/556569117.db2.gz BLFNRIXYRKQHJE-HSZRJFAPSA-N 0 0 431.448 4.138 50 0 IIAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000015990450 556571790 /nfs/dbraw/zinc/57/17/90/556571790.db2.gz NWEHQKJGDZLDTF-UHFFFAOYSA-N 0 0 435.332 4.314 50 0 IIAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3cc4sc(NC(C)=O)nc4c(C)c3)n[nH]c1-2 ZINC000032961361 556571791 /nfs/dbraw/zinc/57/17/91/556571791.db2.gz YNUGWXSBCJBGGB-UHFFFAOYSA-N 0 0 447.520 4.313 50 0 IIAARN O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015999329 556572361 /nfs/dbraw/zinc/57/23/61/556572361.db2.gz QFBLJROSCCMYSS-AFXVXQJMSA-N 0 0 440.524 4.142 50 0 IIAARN CCSCc1ccc(C(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000072310408 556576009 /nfs/dbraw/zinc/57/60/09/556576009.db2.gz FUMPFEKMQJJBEM-KRWDZBQOSA-N 0 0 427.488 4.470 50 0 IIAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3CNC(=O)OC(C)(C)C)cc2)n1 ZINC000072311330 556580700 /nfs/dbraw/zinc/58/07/00/556580700.db2.gz WTNSRQYEOOPFAN-VGSWGCGISA-N 0 0 440.588 4.314 50 0 IIAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H]1c1ccccc1 ZINC000034862982 556584305 /nfs/dbraw/zinc/58/43/05/556584305.db2.gz GKNSZHKMQDAONK-NQIIRXRSSA-N 0 0 432.973 4.104 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@H](C(F)(F)F)C3)[C@H](c3ccco3)C2)cc1 ZINC000034889474 556585757 /nfs/dbraw/zinc/58/57/57/556585757.db2.gz GKMAPZZLSYXNRP-LPHOPBHVSA-N 0 0 435.446 4.240 50 0 IIAARN N=C1S/C(=C\c2ccc(-c3ccc4c(c3)COC4=O)o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000016157576 556586083 /nfs/dbraw/zinc/58/60/83/556586083.db2.gz ZIHFOANSPAQDCM-JDOALCRBSA-N 0 0 446.440 4.401 50 0 IIAARN CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)cc2C1 ZINC000032969201 556588607 /nfs/dbraw/zinc/58/86/07/556588607.db2.gz BJVYYCADZVWQGJ-LAUBAEHRSA-N 0 0 428.598 4.075 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c(C)c1 ZINC000016285025 556597459 /nfs/dbraw/zinc/59/74/59/556597459.db2.gz GBZIEECFXRJMDN-UHFFFAOYSA-N 0 0 449.576 4.345 50 0 IIAARN Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000036646114 556599687 /nfs/dbraw/zinc/59/96/87/556599687.db2.gz BOHKMNAWAXPFEC-UHFFFAOYSA-N 0 0 427.938 4.467 50 0 IIAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000016320145 556600237 /nfs/dbraw/zinc/60/02/37/556600237.db2.gz BBEYNSJARJNSNE-UHFFFAOYSA-N 0 0 444.314 4.185 50 0 IIAARN CC[C@H](C)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000016361065 556602275 /nfs/dbraw/zinc/60/22/75/556602275.db2.gz IWSZEKGCIAUHBB-INIZCTEOSA-N 0 0 433.599 4.030 50 0 IIAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1OC)O2 ZINC000032983758 556602363 /nfs/dbraw/zinc/60/23/63/556602363.db2.gz OSIZDFXDDANWTM-IWIPYMOSSA-N 0 0 444.487 4.396 50 0 IIAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)NCc2cccs2)CC1 ZINC000032985996 556605728 /nfs/dbraw/zinc/60/57/28/556605728.db2.gz IGFLFCNHHRRQHA-UHFFFAOYSA-N 0 0 437.594 4.451 50 0 IIAARN O=C(OCc1cccc(Cl)c1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000032986810 556606491 /nfs/dbraw/zinc/60/64/91/556606491.db2.gz CYQUHYPZCSCIPY-FQEVSTJZSA-N 0 0 428.897 4.100 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@H](C)c3ccccc3)s2)cc1 ZINC000032987066 556606957 /nfs/dbraw/zinc/60/69/57/556606957.db2.gz QYEPGVBWDIEGOT-OAHLLOKOSA-N 0 0 426.567 4.209 50 0 IIAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@H](C)c2ccccc2)s1 ZINC000032987304 556607244 /nfs/dbraw/zinc/60/72/44/556607244.db2.gz BDYWURDCFNYLPV-OAHLLOKOSA-N 0 0 426.567 4.209 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000032987842 556608150 /nfs/dbraw/zinc/60/81/50/556608150.db2.gz PWQDOWWUNSUIRJ-UHFFFAOYSA-N 0 0 442.972 4.434 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cnc12 ZINC000016470718 556609669 /nfs/dbraw/zinc/60/96/69/556609669.db2.gz XQJYYJBYPUGTGQ-DEOSSOPVSA-N 0 0 429.545 4.331 50 0 IIAARN CSc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032995159 556610158 /nfs/dbraw/zinc/61/01/58/556610158.db2.gz BASMKRQBVGRYNL-UHFFFAOYSA-N 0 0 440.594 4.460 50 0 IIAARN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)C1 ZINC000032915292 556611862 /nfs/dbraw/zinc/61/18/62/556611862.db2.gz IYLLZQUXCJJTOH-LJQANCHMSA-N 0 0 446.551 4.243 50 0 IIAARN O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016488255 556611874 /nfs/dbraw/zinc/61/18/74/556611874.db2.gz ANGXUHUCBPZCHE-GFCCVEGCSA-N 0 0 431.316 4.172 50 0 IIAARN COc1ccc(-c2csc3c2ncn(CC(=O)NCc2ccc(Cl)cc2)c3=O)cc1 ZINC000038487060 556612896 /nfs/dbraw/zinc/61/28/96/556612896.db2.gz QMVAVLNRINRSQO-UHFFFAOYSA-N 0 0 439.924 4.103 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)cc1OC ZINC000038652071 556615301 /nfs/dbraw/zinc/61/53/01/556615301.db2.gz SLZZRAKDJDGBIR-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN COc1cc(/C=C2/SC(=N)N(c3ccc(Br)cc3)C2=O)ccc1OCC#N ZINC000033678886 556620953 /nfs/dbraw/zinc/62/09/53/556620953.db2.gz LUJCFKCCGSXVHX-CDLNYGKDSA-N 0 0 444.310 4.416 50 0 IIAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)C1=O ZINC000016695123 556628570 /nfs/dbraw/zinc/62/85/70/556628570.db2.gz OMJHKEKVXVXVAO-UHFFFAOYSA-N 0 0 443.573 4.158 50 0 IIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000016741823 556635378 /nfs/dbraw/zinc/63/53/78/556635378.db2.gz GLPYIZRZPKSOCG-SBLNNXNXSA-N 0 0 442.339 4.362 50 0 IIAARN CCCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742123 556635983 /nfs/dbraw/zinc/63/59/83/556635983.db2.gz PBWYIHKSTONPIQ-NRFANRHFSA-N 0 0 445.581 4.092 50 0 IIAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OCC ZINC000016750425 556637073 /nfs/dbraw/zinc/63/70/73/556637073.db2.gz USBCCCCJLLSSHR-GAJHUEQPSA-N 0 0 449.503 4.315 50 0 IIAARN COCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(F)cc1 ZINC000040397214 556639533 /nfs/dbraw/zinc/63/95/33/556639533.db2.gz XFFCZHMSCFVHOA-UHFFFAOYSA-N 0 0 434.496 4.301 50 0 IIAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)C(C)C)C(C)C)cc1OC ZINC000033853803 556642929 /nfs/dbraw/zinc/64/29/29/556642929.db2.gz HDUHGIOIBBJMSG-UHFFFAOYSA-N 0 0 444.572 4.070 50 0 IIAARN COc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)cc1 ZINC000040484843 556643770 /nfs/dbraw/zinc/64/37/70/556643770.db2.gz PPWAWAVEKOYKPO-UHFFFAOYSA-N 0 0 442.450 4.103 50 0 IIAARN CC/C(=C(/CC)c1ccc(OCCNC(C)=O)cc1)c1ccc(OCCNC(C)=O)cc1 ZINC000040545810 556644702 /nfs/dbraw/zinc/64/47/02/556644702.db2.gz ZXAYWDMTJXBFEQ-OCEACIFDSA-N 0 0 438.568 4.447 50 0 IIAARN NC(=O)c1ccc(COC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000016815858 556645041 /nfs/dbraw/zinc/64/50/41/556645041.db2.gz VUDLCMAZAKSVJW-UHFFFAOYSA-N 0 0 449.894 4.111 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1 ZINC000016842680 556646403 /nfs/dbraw/zinc/64/64/03/556646403.db2.gz MFAFTUXSVDIAHX-UHFFFAOYSA-N 0 0 447.882 4.313 50 0 IIAARN Cc1cccc([C@H]2c3cc(OCC(=O)N4CCCC4)ccc3CCN2C(=O)c2ccco2)c1 ZINC000037603298 556646656 /nfs/dbraw/zinc/64/66/56/556646656.db2.gz LGAUXPDIDFKVNI-SANMLTNESA-N 0 0 444.531 4.377 50 0 IIAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC3CC3)cc2[C@@H]1c1cccc(F)c1 ZINC000037603011 556646693 /nfs/dbraw/zinc/64/66/93/556646693.db2.gz ZJUIPARNEPSMKK-ZCYQVOJMSA-N 0 0 438.543 4.393 50 0 IIAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H](C)S2 ZINC000011726503 556647103 /nfs/dbraw/zinc/64/71/03/556647103.db2.gz JMVXNELEGDEXMN-VIFPVBQESA-N 0 0 430.382 4.338 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@H](C)C3)c1 ZINC000011726580 556647486 /nfs/dbraw/zinc/64/74/86/556647486.db2.gz ZCMGWVAVWPXNJL-MRXNPFEDSA-N 0 0 437.590 4.368 50 0 IIAARN COc1ccc(OC)c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899419 556648535 /nfs/dbraw/zinc/64/85/35/556648535.db2.gz HVUGDPAYEDHNLU-MRXNPFEDSA-N 0 0 426.416 4.164 50 0 IIAARN Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000016903667 556649167 /nfs/dbraw/zinc/64/91/67/556649167.db2.gz LEFXSKJYDIPPPY-WOJBJXKFSA-N 0 0 435.568 4.207 50 0 IIAARN CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000033000286 556653862 /nfs/dbraw/zinc/65/38/62/556653862.db2.gz JEZZDVHIOAUDHA-QGZVFWFLSA-N 0 0 446.619 4.238 50 0 IIAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(Br)o4)c3)csc2n1 ZINC000011768245 556654074 /nfs/dbraw/zinc/65/40/74/556654074.db2.gz PRANGJYWSYPXHN-UHFFFAOYSA-N 0 0 430.283 4.339 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3ccccc3F)c2=O)cc1 ZINC000033006839 556655672 /nfs/dbraw/zinc/65/56/72/556655672.db2.gz MRXONINLMJXUKX-UHFFFAOYSA-N 0 0 447.535 4.301 50 0 IIAARN Oc1cccc(N2CCN(C(=S)Nc3ccc(Br)cc3Cl)CC2)c1 ZINC000017095117 556658360 /nfs/dbraw/zinc/65/83/60/556658360.db2.gz RZFGRZRHRPENAV-UHFFFAOYSA-N 0 0 426.767 4.327 50 0 IIAARN O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011834995 556659403 /nfs/dbraw/zinc/65/94/03/556659403.db2.gz SCMFNADBXPSHGK-UHFFFAOYSA-N 0 0 425.388 4.458 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011899 556660452 /nfs/dbraw/zinc/66/04/52/556660452.db2.gz XNYDIXBUOBVBHY-UHFFFAOYSA-N 0 0 448.957 4.492 50 0 IIAARN C[C@@H]1CCc2c(sc3ncn4nc(-c5cc(-c6ccc7c(c6)OCO7)[nH]n5)nc4c23)C1 ZINC000017096916 556660631 /nfs/dbraw/zinc/66/06/31/556660631.db2.gz UMSHOVJZUFOZIY-LLVKDONJSA-N 0 0 430.493 4.250 50 0 IIAARN O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056839 556660724 /nfs/dbraw/zinc/66/07/24/556660724.db2.gz QHTNDVYCUBMJSZ-VWLOTQADSA-N 0 0 438.531 4.329 50 0 IIAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)NCCc4ccccc4)c3)n2)cc1 ZINC000033012401 556661478 /nfs/dbraw/zinc/66/14/78/556661478.db2.gz SDVVGXQIXRBRKY-UHFFFAOYSA-N 0 0 429.476 4.150 50 0 biogenic IIAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033012588 556661535 /nfs/dbraw/zinc/66/15/35/556661535.db2.gz PFRNBASBZGHTSM-UHFFFAOYSA-N 0 0 428.448 4.380 50 0 IIAARN O=C(CSCc1ccccc1)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3 ZINC000017097681 556662059 /nfs/dbraw/zinc/66/20/59/556662059.db2.gz LGCPKTHGQVJPOP-UHFFFAOYSA-N 0 0 431.608 4.393 50 0 IIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 ZINC000017098608 556663478 /nfs/dbraw/zinc/66/34/78/556663478.db2.gz PVIDSNPYGQADRQ-UHFFFAOYSA-N 0 0 433.599 4.020 50 0 IIAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)NCc4ccccc4Cl)n3)cc2c1 ZINC000033013815 556663808 /nfs/dbraw/zinc/66/38/08/556663808.db2.gz HDWSTGFCTOFZSP-UHFFFAOYSA-N 0 0 436.899 4.179 50 0 IIAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)C(C)(C)C)N2C=Cc4ccccc4[C@H]32)cc1 ZINC000043726418 556664745 /nfs/dbraw/zinc/66/47/45/556664745.db2.gz INYHTINQBXLMFU-KAOXLYBCSA-N 0 0 442.515 4.020 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccn4)n3C)n2)cc1C ZINC000017100594 556665401 /nfs/dbraw/zinc/66/54/01/556665401.db2.gz IGFJJIRFBZBBOM-UHFFFAOYSA-N 0 0 436.566 4.348 50 0 IIAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1 ZINC000017106095 556667530 /nfs/dbraw/zinc/66/75/30/556667530.db2.gz GFBWAGFCENOVGK-MRXNPFEDSA-N 0 0 435.553 4.129 50 0 IIAARN C[C@H](OC(=O)CN1C(=O)CSc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017132681 556669172 /nfs/dbraw/zinc/66/91/72/556669172.db2.gz PMNFWWBABCMYHC-NSHDSACASA-N 0 0 439.320 4.003 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccc(OC(F)F)c(OC)c3)CC2)c(OC)c1 ZINC000011918255 556674711 /nfs/dbraw/zinc/67/47/11/556674711.db2.gz COXLLYFCTJONJI-UHFFFAOYSA-N 0 0 449.450 4.252 50 0 IIAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000017976119 556680674 /nfs/dbraw/zinc/68/06/74/556680674.db2.gz XMELEKRXAGYRQJ-QZTJIDSGSA-N 0 0 428.282 4.348 50 0 IIAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)c2)cc1C ZINC000017986585 556680713 /nfs/dbraw/zinc/68/07/13/556680713.db2.gz PGINAICVSKRJIB-YROCYRMSSA-N 0 0 431.488 4.045 50 0 IIAARN O=C(Oc1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000017987590 556680941 /nfs/dbraw/zinc/68/09/41/556680941.db2.gz UILJWMXNKDWNKM-HOTGVXAUSA-N 0 0 426.266 4.124 50 0 IIAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 ZINC000033019205 556682069 /nfs/dbraw/zinc/68/20/69/556682069.db2.gz LDJVLVJYRNCRPC-HXUWFJFHSA-N 0 0 443.551 4.203 50 0 IIAARN COc1ccc(C(=O)N2CCCN(c3nc(C)nc(C)c3Cc3cccc(F)c3)CC2)cc1 ZINC000000694264 556682162 /nfs/dbraw/zinc/68/21/62/556682162.db2.gz YBOCHMLYBHFFGD-UHFFFAOYSA-N 0 0 448.542 4.184 50 0 IIAARN CCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccnc2)cc1 ZINC000010629101 556683018 /nfs/dbraw/zinc/68/30/18/556683018.db2.gz QYMJVHSTIMZCEX-UHFFFAOYSA-N 0 0 430.533 4.464 50 0 IIAARN Cc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)c3cccnc32)cc1 ZINC000033019562 556683361 /nfs/dbraw/zinc/68/33/61/556683361.db2.gz KLLGGIHPCGBILB-UHFFFAOYSA-N 0 0 433.577 4.484 50 0 IIAARN Nc1nnc(SCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)s1 ZINC000018191082 556686127 /nfs/dbraw/zinc/68/61/27/556686127.db2.gz OIPOIBGHOGDCOO-UHFFFAOYSA-N 0 0 443.598 4.006 50 0 IIAARN C=CCOc1ccccc1/C=C1/N=C(c2cccc(I)c2)OC1=O ZINC000002081196 556686202 /nfs/dbraw/zinc/68/62/02/556686202.db2.gz JFBAUZMBAFUIEV-FOWTUZBSSA-N 0 0 431.229 4.201 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000018247508 556688221 /nfs/dbraw/zinc/68/82/21/556688221.db2.gz REPPSLWYXGSPOP-RTBURBONSA-N 0 0 447.516 4.391 50 0 IIAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000071949427 556688975 /nfs/dbraw/zinc/68/89/75/556688975.db2.gz WWXNADLOQOJIMH-UHFFFAOYSA-N 0 0 428.168 4.026 50 0 IIAARN O=C(CN1CCCCC1)Nc1ccc(-c2ccc(NC(=O)CN3CCCCC3)cc2)cc1 ZINC000000825328 556690029 /nfs/dbraw/zinc/69/00/29/556690029.db2.gz KXNSWQLXDOAIEB-UHFFFAOYSA-N 0 0 434.584 4.202 50 0 IIAARN Cc1nc2nc(-c3cccnc3)nn2c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046023899 556691158 /nfs/dbraw/zinc/69/11/58/556691158.db2.gz MTJCWZPTCSKXKK-UHFFFAOYSA-N 0 0 426.402 4.003 50 0 IIAARN Cc1nc(NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)sc1-c1ccccc1 ZINC000072313727 556694215 /nfs/dbraw/zinc/69/42/15/556694215.db2.gz KVDVCMLISNOSCY-UHFFFAOYSA-N 0 0 437.569 4.150 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N[C@@H](C)CCc4ccccc4)ccc32)cc1 ZINC000013583337 556699710 /nfs/dbraw/zinc/69/97/10/556699710.db2.gz IMXNDILRQZMLCJ-FQEVSTJZSA-N 0 0 448.588 4.498 50 0 IIAARN Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccc(F)cc3)nc2c1 ZINC000033025984 556702069 /nfs/dbraw/zinc/70/20/69/556702069.db2.gz WLNYSAFYQPXWSN-UHFFFAOYSA-N 0 0 449.507 4.452 50 0 IIAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)N1CCCCCC1 ZINC000033031939 556712271 /nfs/dbraw/zinc/71/22/71/556712271.db2.gz UJNMWECJCRBMTC-UHFFFAOYSA-N 0 0 430.346 4.200 50 0 IIAARN O=C(NCc1cccc(Br)c1)C1CCN(c2ncccc2-n2cccc2)CC1 ZINC000033034642 556716845 /nfs/dbraw/zinc/71/68/45/556716845.db2.gz KNCQZEHVIXEPFU-UHFFFAOYSA-N 0 0 439.357 4.168 50 0 IIAARN CC(=O)c1ccccc1OCCOC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1 ZINC000011140237 556720249 /nfs/dbraw/zinc/72/02/49/556720249.db2.gz YCXQIAQAHNTILV-UHFFFAOYSA-N 0 0 444.549 4.215 50 0 IIAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 ZINC000061718049 556724427 /nfs/dbraw/zinc/72/44/27/556724427.db2.gz UPHXSMHUXGJHMD-UHFFFAOYSA-N 0 0 441.487 4.267 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Br)c3)CC2)c1 ZINC000072328688 556726498 /nfs/dbraw/zinc/72/64/98/556726498.db2.gz FSZSANFIACLXOO-UHFFFAOYSA-N 0 0 439.357 4.418 50 0 IIAARN Cc1c(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c2ccccc2n1C ZINC000061719887 556726896 /nfs/dbraw/zinc/72/68/96/556726896.db2.gz NYPAXZSKLVEEHJ-UHFFFAOYSA-N 0 0 436.309 4.356 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(CCOc4ccc(F)cc4)ccn3n2)cc1Cl ZINC000072329607 556727401 /nfs/dbraw/zinc/72/74/01/556727401.db2.gz BFBGQRDIFMTZFO-UHFFFAOYSA-N 0 0 427.863 4.433 50 0 IIAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 ZINC000011141263 556728355 /nfs/dbraw/zinc/72/83/55/556728355.db2.gz AGQPLUAVIAUZKQ-INIZCTEOSA-N 0 0 425.916 4.021 50 0 IIAARN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)c1 ZINC000011142600 556728882 /nfs/dbraw/zinc/72/88/82/556728882.db2.gz ZYUCQPZMNBURAF-AWEZNQCLSA-N 0 0 443.956 4.180 50 0 IIAARN Nn1c(=O)c2cc(Br)ccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000071327694 556730750 /nfs/dbraw/zinc/73/07/50/556730750.db2.gz GAHBGBRTEFTIGD-UHFFFAOYSA-N 0 0 430.249 4.184 50 0 IIAARN COc1ccc(F)cc1CN1CCN([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000170599928 556732864 /nfs/dbraw/zinc/73/28/64/556732864.db2.gz WIJDPKUBQKELDL-HNNXBMFYSA-N 0 0 430.524 4.371 50 0 IIAARN CCOc1ccccc1-c1nc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)c(C)o1 ZINC000055089618 556734062 /nfs/dbraw/zinc/73/40/62/556734062.db2.gz PCXHOBVESOEGRF-UHFFFAOYSA-N 0 0 435.524 4.015 50 0 IIAARN Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)cc1 ZINC000055108740 556734989 /nfs/dbraw/zinc/73/49/89/556734989.db2.gz HSOUNIKIURIFSF-UHFFFAOYSA-N 0 0 425.598 4.453 50 0 IIAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3CO)[C@H]2c2cccs2)cc1 ZINC000078939202 556736960 /nfs/dbraw/zinc/73/69/60/556736960.db2.gz NTYQIPALEXYPPD-URXFXBBRSA-N 0 0 434.561 4.350 50 0 IIAARN CC(C)(C)c1cc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)n(C(C)(C)C)n1 ZINC000079052158 556738144 /nfs/dbraw/zinc/73/81/44/556738144.db2.gz NRASJKRKIIUGIH-UHFFFAOYSA-N 0 0 427.517 4.325 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1 ZINC000055231326 556738651 /nfs/dbraw/zinc/73/86/51/556738651.db2.gz IBJMYEFRWTXVQO-UHFFFAOYSA-N 0 0 442.519 4.078 50 0 IIAARN Cc1cccc(-n2cc(CN3CCN(c4ncccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000055245406 556738920 /nfs/dbraw/zinc/73/89/20/556738920.db2.gz RTANMXKQFQNBLY-UHFFFAOYSA-N 0 0 428.515 4.099 50 0 IIAARN CC(C)c1nc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000055310663 556740169 /nfs/dbraw/zinc/74/01/69/556740169.db2.gz GSDKCMWRUKEVLN-IBGZPJMESA-N 0 0 433.021 4.347 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1cccc(Br)c1 ZINC000033048909 556745531 /nfs/dbraw/zinc/74/55/31/556745531.db2.gz KTPNTUCAVAKDFH-UHFFFAOYSA-N 0 0 448.320 4.142 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1ccc(Br)cc1 ZINC000033048908 556745535 /nfs/dbraw/zinc/74/55/35/556745535.db2.gz ZOSBABJPORLHSH-UHFFFAOYSA-N 0 0 448.320 4.142 50 0 IIAARN CC(=O)c1cccc(OC[C@@H](O)Cn2c3ccccc3nc2N(C)Cc2ccccc2)c1 ZINC000057986927 556750456 /nfs/dbraw/zinc/75/04/56/556750456.db2.gz CWNSVPPOSSTAEI-QFIPXVFZSA-N 0 0 429.520 4.315 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(OC(F)F)c(OC)c2)c1C ZINC000058128678 556759895 /nfs/dbraw/zinc/75/98/95/556759895.db2.gz XYAYTSUKFDULTC-CQSZACIVSA-N 0 0 438.471 4.121 50 0 IIAARN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000058140098 556761163 /nfs/dbraw/zinc/76/11/63/556761163.db2.gz GNZKKFOWCFJULI-QGZVFWFLSA-N 0 0 435.406 4.416 50 0 IIAARN Cc1ccc(Nc2nc(N)nc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000058160766 556764668 /nfs/dbraw/zinc/76/46/68/556764668.db2.gz IDJYUEOAKFWZOU-IBGZPJMESA-N 0 0 432.528 4.004 50 0 IIAARN Cc1cccc(OC(F)F)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000058161827 556765520 /nfs/dbraw/zinc/76/55/20/556765520.db2.gz LGNDJYKAZPIENY-HNNXBMFYSA-N 0 0 438.496 4.412 50 0 IIAARN COc1cccc(-c2nc3c(c(SCC(=O)N4CCCCC4)n2)COC(C)(C)C3)c1 ZINC000005322591 556766869 /nfs/dbraw/zinc/76/68/69/556766869.db2.gz TZTRXYGDXZBDGV-UHFFFAOYSA-N 0 0 427.570 4.108 50 0 IIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC(n3nnc4c3CCCC4)CC2)c1Cl ZINC000058173350 556768521 /nfs/dbraw/zinc/76/85/21/556768521.db2.gz SQGPESZJBBKJQC-UHFFFAOYSA-N 0 0 443.400 4.106 50 0 IIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(O)c1 ZINC000058225815 556773759 /nfs/dbraw/zinc/77/37/59/556773759.db2.gz MWBQRSBJUWWNMD-KRWDZBQOSA-N 0 0 436.533 4.025 50 0 IIAARN Cc1c(C)c(C)c(S(=O)(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)c1C ZINC000058245517 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GQYOWPXKCLXRMH-UHFFFAOYSA-N 0 0 433.504 4.374 50 0 IIAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613267 557155777 /nfs/dbraw/zinc/15/57/77/557155777.db2.gz VRQPRBSKIAUZEV-UHFFFAOYSA-N 0 0 442.984 4.028 50 0 IIAARN CC(=O)N1c2ccc(C(=O)CSc3nnc4c(Cl)cc(Cl)cn34)cc2C[C@H]1C ZINC000024827013 557155981 /nfs/dbraw/zinc/15/59/81/557155981.db2.gz LVDTZVGDIRFALL-SNVBAGLBSA-N 0 0 435.336 4.309 50 0 IIAARN O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000010959040 557157056 /nfs/dbraw/zinc/15/70/56/557157056.db2.gz SANSUFOYUFEUPF-UHFFFAOYSA-N 0 0 429.851 4.082 50 0 IIAARN O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024658427 557157653 /nfs/dbraw/zinc/15/76/53/557157653.db2.gz ZTQGVMGPNJLKHB-DEOSSOPVSA-N 0 0 429.545 4.243 50 0 IIAARN O=C(NCCC(c1ccccc1)c1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000024667691 557157979 /nfs/dbraw/zinc/15/79/79/557157979.db2.gz UCPZUNXBEVAHRG-UHFFFAOYSA-N 0 0 431.536 4.406 50 0 IIAARN O=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000024687339 557158831 /nfs/dbraw/zinc/15/88/31/557158831.db2.gz YLOSJNUVWQMFEI-UHFFFAOYSA-N 0 0 429.851 4.082 50 0 IIAARN CSc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 ZINC000095929289 557161667 /nfs/dbraw/zinc/16/16/67/557161667.db2.gz LAZPNKFFUDDHFI-JOCHJYFZSA-N 0 0 430.533 4.370 50 0 IIAARN CSc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 ZINC000095929290 557161786 /nfs/dbraw/zinc/16/17/86/557161786.db2.gz LAZPNKFFUDDHFI-QFIPXVFZSA-N 0 0 430.533 4.370 50 0 IIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000011547091 557161979 /nfs/dbraw/zinc/16/19/79/557161979.db2.gz REMZHQSCPWMNLB-SFHVURJKSA-N 0 0 439.560 4.371 50 0 IIAARN O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000206819507 557162787 /nfs/dbraw/zinc/16/27/87/557162787.db2.gz DGEAHIDZDJNXNV-AWEZNQCLSA-N 0 0 435.958 4.146 50 0 IIAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1ccc(SC(C)C)cc1 ZINC000206798152 557163800 /nfs/dbraw/zinc/16/38/00/557163800.db2.gz NSSLFROMPRLTOH-PXNSSMCTSA-N 0 0 431.529 4.090 50 0 IIAARN Cc1cccn2cc(-c3ccccc3NC(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)nc12 ZINC000206902036 557166025 /nfs/dbraw/zinc/16/60/25/557166025.db2.gz PCMWLPSKRJRHDJ-KRWDZBQOSA-N 0 0 445.548 4.159 50 0 IIAARN O=C(CSc1nnnn1CCc1cccs1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000024790308 557168014 /nfs/dbraw/zinc/16/80/14/557168014.db2.gz GSDJCEHSEXETIX-NRFANRHFSA-N 0 0 449.605 4.170 50 0 IIAARN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807741 557168334 /nfs/dbraw/zinc/16/83/34/557168334.db2.gz RLGZGEDOEGYGRA-KBPBESRZSA-N 0 0 447.366 4.469 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)CCCOc1ccc(Br)cc1)c1ccccc1 ZINC000024865179 557172182 /nfs/dbraw/zinc/17/21/82/557172182.db2.gz HFQLHDHNFRDELA-HXUWFJFHSA-N 0 0 428.330 4.247 50 0 IIAARN O=C(CCCNC(=O)c1ccco1)Nc1ncc(Cc2ccccc2Br)s1 ZINC000024843039 557173622 /nfs/dbraw/zinc/17/36/22/557173622.db2.gz QDLPDEFIWAGFEQ-UHFFFAOYSA-N 0 0 448.342 4.238 50 0 IIAARN CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1Cl ZINC000024871523 557175953 /nfs/dbraw/zinc/17/59/53/557175953.db2.gz NZMZVNAXOVTUMD-UHFFFAOYSA-N 0 0 430.913 4.026 50 0 IIAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C ZINC000024886570 557176899 /nfs/dbraw/zinc/17/68/99/557176899.db2.gz RJCJSUBLWUVZNM-UZLBHIALSA-N 0 0 428.602 4.077 50 0 IIAARN CS(=O)(=O)Nc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000024891391 557177358 /nfs/dbraw/zinc/17/73/58/557177358.db2.gz HDLWIXRYUKKJIS-UHFFFAOYSA-N 0 0 430.913 4.396 50 0 IIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024899792 557177646 /nfs/dbraw/zinc/17/76/46/557177646.db2.gz WCSYHQABUWHYJB-MRXNPFEDSA-N 0 0 441.443 4.215 50 0 IIAARN CSc1ncccc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920820 557178808 /nfs/dbraw/zinc/17/88/08/557178808.db2.gz NADZBDHAHWYQNL-UHFFFAOYSA-N 0 0 428.558 4.024 50 0 IIAARN O=C(CN(CCc1cccs1)Cc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000024940650 557181446 /nfs/dbraw/zinc/18/14/46/557181446.db2.gz KCXFHJLPPCZKJV-UHFFFAOYSA-N 0 0 439.606 4.385 50 0 IIAARN CCc1ccccc1NC(=O)Cc1nnc(SCc2nnc(-c3ccccc3)o2)n1CC ZINC000009327803 557187003 /nfs/dbraw/zinc/18/70/03/557187003.db2.gz SDJFMBGTJSHIRH-UHFFFAOYSA-N 0 0 448.552 4.384 50 0 IIAARN O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000024988282 557187018 /nfs/dbraw/zinc/18/70/18/557187018.db2.gz PENHXLHSUJXPGU-GFCCVEGCSA-N 0 0 431.316 4.172 50 0 IIAARN Cc1cc(Sc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)n2ncnc2n1 ZINC000025044400 557190448 /nfs/dbraw/zinc/19/04/48/557190448.db2.gz XFCCZUBYAJDDFY-UHFFFAOYSA-N 0 0 443.536 4.360 50 0 IIAARN CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C)cc1 ZINC000009582669 557190449 /nfs/dbraw/zinc/19/04/49/557190449.db2.gz MPZHIGFWTGTLAM-UHFFFAOYSA-N 0 0 442.972 4.207 50 0 IIAARN COc1ccc(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2CC(C)C)cc1 ZINC000009699332 557191431 /nfs/dbraw/zinc/19/14/31/557191431.db2.gz UECQZZTYOAGMOM-UHFFFAOYSA-N 0 0 435.553 4.062 50 0 IIAARN O=C(OCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000168642301 557191585 /nfs/dbraw/zinc/19/15/85/557191585.db2.gz CVHUWFLTKKZKSQ-CLOONOSVSA-N 0 0 443.499 4.114 50 0 IIAARN O=C(CCN1c2ccccc2Sc2ccccc21)N1CCN(Cc2cccnc2)CC1 ZINC000072232926 557194823 /nfs/dbraw/zinc/19/48/23/557194823.db2.gz WGGSKTKOVHSNAH-UHFFFAOYSA-N 0 0 430.577 4.419 50 0 IIAARN COc1ccccc1C(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000096318726 557199232 /nfs/dbraw/zinc/19/92/32/557199232.db2.gz GWVHEKZOEWRRPZ-UHFFFAOYSA-N 0 0 445.519 4.264 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)COc1cccc(Oc3ccccn3)c1)O[C@H](C)C2 ZINC000025262076 557201832 /nfs/dbraw/zinc/20/18/32/557201832.db2.gz XPZIZVBNTZLKIS-QGZVFWFLSA-N 0 0 434.492 4.291 50 0 IIAARN Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O ZINC000011573188 557202602 /nfs/dbraw/zinc/20/26/02/557202602.db2.gz CKGQCRDHJCALNO-UHFFFAOYSA-N 0 0 441.534 4.102 50 0 IIAARN COc1cc(OC)c(NC(=O)CCn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1Cl ZINC000011602059 557207669 /nfs/dbraw/zinc/20/76/69/557207669.db2.gz BPDYOOLBMMISNA-UHFFFAOYSA-N 0 0 436.896 4.446 50 0 IIAARN O=C(c1cccnc1)N(CCN1C(=O)c2cccc3cccc(c32)C1=O)c1cccc(F)c1 ZINC000025502011 557212393 /nfs/dbraw/zinc/21/23/93/557212393.db2.gz NIZYUEDRAGAVKM-UHFFFAOYSA-N 0 0 439.446 4.317 50 0 IIAARN CCOCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000101035770 557214495 /nfs/dbraw/zinc/21/44/95/557214495.db2.gz XDJBEUBKZCLEHP-LNVKXUELSA-N 0 0 443.550 4.107 50 0 IIAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000018018848 557219081 /nfs/dbraw/zinc/21/90/81/557219081.db2.gz WVYPXIWPOALBRW-AWEZNQCLSA-N 0 0 440.554 4.069 50 0 IIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)n2)c(F)c1 ZINC000010993908 557219927 /nfs/dbraw/zinc/21/99/27/557219927.db2.gz UOFLMDHENDESTG-JOCHJYFZSA-N 0 0 439.468 4.018 50 0 IIAARN O=C(NCc1ccccc1OC(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000010996250 557221017 /nfs/dbraw/zinc/22/10/17/557221017.db2.gz WJSGPUVMEVPBPE-UHFFFAOYSA-N 0 0 440.849 4.407 50 0 IIAARN O=C(c1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000025699218 557222635 /nfs/dbraw/zinc/22/26/35/557222635.db2.gz FDFSKHMCJBCHNU-HXUWFJFHSA-N 0 0 449.576 4.104 50 0 IIAARN COC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C ZINC000097756746 557223806 /nfs/dbraw/zinc/22/38/06/557223806.db2.gz JUUNWLUOCROAHR-NRFANRHFSA-N 0 0 439.508 4.189 50 0 IIAARN O=C(COC(=O)c1ccccc1COc1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000010852404 557225012 /nfs/dbraw/zinc/22/50/12/557225012.db2.gz ZBBGKCQUKSBYMQ-UHFFFAOYSA-N 0 0 429.432 4.111 50 0 IIAARN CC(C)c1ccc(-c2nc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000025820398 557227841 /nfs/dbraw/zinc/22/78/41/557227841.db2.gz KSRAPLOHICCNCD-SFHVURJKSA-N 0 0 444.578 4.356 50 0 IIAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000085405844 557228421 /nfs/dbraw/zinc/22/84/21/557228421.db2.gz FYHJOFCCLHKSCB-UHFFFAOYSA-N 0 0 448.548 4.255 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000011612880 557230354 /nfs/dbraw/zinc/23/03/54/557230354.db2.gz VCYPNVTWCBQUQP-OAHLLOKOSA-N 0 0 428.888 4.190 50 0 IIAARN COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000011693334 557232176 /nfs/dbraw/zinc/23/21/76/557232176.db2.gz ZLQYDSDFDBLVLO-UHFFFAOYSA-N 0 0 431.414 4.357 50 0 IIAARN Cc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1NS(C)(=O)=O ZINC000026011947 557232298 /nfs/dbraw/zinc/23/22/98/557232298.db2.gz PZVMHFRBIYRPSP-UHFFFAOYSA-N 0 0 428.485 4.337 50 0 IIAARN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000032950056 557233349 /nfs/dbraw/zinc/23/33/49/557233349.db2.gz NHDTWWIHPJIHII-UHFFFAOYSA-N 0 0 444.333 4.209 50 0 IIAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)Nc1ccc(F)c(Cl)c1 ZINC000098211500 557235099 /nfs/dbraw/zinc/23/50/99/557235099.db2.gz HBRVLASROBIVMH-UHFFFAOYSA-N 0 0 440.818 4.365 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc4c(c3)CCC4)n2)cc1F ZINC000098211493 557235145 /nfs/dbraw/zinc/23/51/45/557235145.db2.gz OCPLKOFAJTZLFP-UHFFFAOYSA-N 0 0 432.455 4.480 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000018078104 557235248 /nfs/dbraw/zinc/23/52/48/557235248.db2.gz WWRMNVFLTBQMRQ-UHFFFAOYSA-N 0 0 445.541 4.376 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000098211762 557235421 /nfs/dbraw/zinc/23/54/21/557235421.db2.gz DJLUUACAPOSMQA-UHFFFAOYSA-N 0 0 431.323 4.355 50 0 IIAARN CCn1c(=O)c2sccc2nc1SC[C@@H]1CSc2nnc(-c3ccccc3)n21 ZINC000026128988 557235788 /nfs/dbraw/zinc/23/57/88/557235788.db2.gz FBAUFYFVPDHJLH-CYBMUJFWSA-N 0 0 427.580 4.176 50 0 IIAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4cc(Cl)ccc4F)CC3)n[nH]2)cc1 ZINC000098212792 557236023 /nfs/dbraw/zinc/23/60/23/557236023.db2.gz MAJQJGISATYOMV-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1sc(-c2cccs2)nc1C ZINC000018094722 557236627 /nfs/dbraw/zinc/23/66/27/557236627.db2.gz KKCTXYGZPNXCFQ-UHFFFAOYSA-N 0 0 443.550 4.052 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018096296 557236756 /nfs/dbraw/zinc/23/67/56/557236756.db2.gz PUCZXUVHKHVZFL-VXNXHJTFSA-N 0 0 444.487 4.063 50 0 IIAARN O=C(c1ccccc1-c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011002659 557238007 /nfs/dbraw/zinc/23/80/07/557238007.db2.gz ZYIYJCKTSMXCKG-UHFFFAOYSA-N 0 0 438.524 4.030 50 0 IIAARN COc1ccccc1-c1cc(COC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)on1 ZINC000026276624 557238418 /nfs/dbraw/zinc/23/84/18/557238418.db2.gz WIQQQDXISVDKQS-UHFFFAOYSA-N 0 0 426.856 4.487 50 0 IIAARN COc1ccc2sc(S[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)nc2c1 ZINC000100119464 557241419 /nfs/dbraw/zinc/24/14/19/557241419.db2.gz NUHMEWIXEDRUSP-OAHLLOKOSA-N 0 0 449.351 4.492 50 0 IIAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1nc(SCc4ccccc4)ns1)(C3)C2 ZINC000018127383 557242099 /nfs/dbraw/zinc/24/20/99/557242099.db2.gz JQVVKZUAHZSAQR-RGMRCXJASA-N 0 0 442.610 4.244 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)CSCc2cc(=O)n3ccsc3n2)cc1 ZINC000026556409 557244805 /nfs/dbraw/zinc/24/48/05/557244805.db2.gz CWBQHZZWXAYJKL-LJQANCHMSA-N 0 0 443.594 4.142 50 0 IIAARN CCOc1cc2c(cc1NC(=O)CSc1nncn1-c1ccc(C)c(C)c1)O[C@H](C)C2 ZINC000026611916 557245539 /nfs/dbraw/zinc/24/55/39/557245539.db2.gz IAOYPQXUBFFCCL-MRXNPFEDSA-N 0 0 438.553 4.337 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000032951537 557245820 /nfs/dbraw/zinc/24/58/20/557245820.db2.gz NSHOXOVJJMKZEL-UHFFFAOYSA-N 0 0 443.906 4.166 50 0 IIAARN COc1ccc([C@H](NC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)C(C)C)cc1OC ZINC000604404571 557247529 /nfs/dbraw/zinc/24/75/29/557247529.db2.gz PTRHPYFNDLYHMR-FDDCHVKYSA-N 0 0 428.529 4.405 50 0 biogenic IIAARN FC(F)(F)c1cnc(N2CCN(Cc3nccn3Cc3ccccc3)CC2)c(Cl)c1 ZINC000026900171 557250524 /nfs/dbraw/zinc/25/05/24/557250524.db2.gz PTODKTMXBPWWIL-UHFFFAOYSA-N 0 0 435.881 4.321 50 0 IIAARN O=C(Cc1ccc(Br)cc1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215887 557252513 /nfs/dbraw/zinc/25/25/13/557252513.db2.gz NUMSKCKJHQWLIS-UHFFFAOYSA-N 0 0 436.659 4.287 50 0 IIAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OCCC)c4)c(=O)n3n2)cc1 ZINC000027022684 557255501 /nfs/dbraw/zinc/25/55/01/557255501.db2.gz YHMQCRIQJIHNAU-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027033868 557255867 /nfs/dbraw/zinc/25/58/67/557255867.db2.gz GJCCAZQVQRNTSX-LIRRHRJNSA-N 0 0 443.956 4.020 50 0 IIAARN CN(CCOc1ccc(Br)cc1)C(=O)CSc1ncnc2ccccc21 ZINC000027033805 557255891 /nfs/dbraw/zinc/25/58/91/557255891.db2.gz DGCXAIUTVZWEJL-UHFFFAOYSA-N 0 0 432.343 4.022 50 0 IIAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)c1c[nH]c2ccccc21 ZINC000101160996 557257407 /nfs/dbraw/zinc/25/74/07/557257407.db2.gz ZKLIPTPSQFPIGR-UHFFFAOYSA-N 0 0 434.521 4.024 50 0 IIAARN CC(=O)N1CCCN(c2nc(CN(C)[C@@H](C)c3cccs3)nc3c(C)cccc32)CC1 ZINC000014969978 557263560 /nfs/dbraw/zinc/26/35/60/557263560.db2.gz ZSAQKOXTQFKGMU-SFHVURJKSA-N 0 0 437.613 4.251 50 0 IIAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000000821490 557268084 /nfs/dbraw/zinc/26/80/84/557268084.db2.gz NCZWLKXTENZZAG-UHFFFAOYSA-N 0 0 427.353 4.201 50 0 IIAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)cc3)on1)CCCC2 ZINC000027662613 557268928 /nfs/dbraw/zinc/26/89/28/557268928.db2.gz BACKEPYZRZNWEB-UHFFFAOYSA-N 0 0 439.537 4.219 50 0 IIAARN COc1ccc(/C=C/C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1OC ZINC000000824046 557269179 /nfs/dbraw/zinc/26/91/79/557269179.db2.gz CWUZJSKGMDLVJD-XYOKQWHBSA-N 0 0 425.525 4.362 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000827518 557270602 /nfs/dbraw/zinc/27/06/02/557270602.db2.gz PUXBTQRBFYLEGO-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000829760 557272431 /nfs/dbraw/zinc/27/24/31/557272431.db2.gz XSOYTSWFRVZXDP-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000100736579 557272913 /nfs/dbraw/zinc/27/29/13/557272913.db2.gz APDVGRBZNXOVEU-LLGFUMIMSA-N 0 0 438.421 4.227 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000027752736 557273235 /nfs/dbraw/zinc/27/32/35/557273235.db2.gz KBVZLYXWLQUCQH-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cccc(Cl)c4)c(O)c23)cc1 ZINC000101361455 557276958 /nfs/dbraw/zinc/27/69/58/557276958.db2.gz IPKXEGBMKUGFHF-RBBKRZOGSA-N 0 0 431.879 4.131 50 0 IIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000101233369 557285120 /nfs/dbraw/zinc/28/51/20/557285120.db2.gz GZRIXSLKERGLNO-AQKFKSFVSA-N 0 0 433.504 4.269 50 0 IIAARN COCCCNC(=O)CC1=C(C)/C(=C\c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 ZINC000101448995 557285577 /nfs/dbraw/zinc/28/55/77/557285577.db2.gz LNMCXKHWVCSUJG-SKPQCYFASA-N 0 0 427.541 4.434 50 0 IIAARN COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)c(CC(=S)N4CCOCC4)cc3CC[C@H]12 ZINC000101362272 557291808 /nfs/dbraw/zinc/29/18/08/557291808.db2.gz HWSTUAPZICADRB-GVXSCFBNSA-N 0 0 445.625 4.081 50 0 IIAARN Cc1cc(C)cc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629061 557291814 /nfs/dbraw/zinc/29/18/14/557291814.db2.gz YSZSCEWZAULDHA-SFTDATJTSA-N 0 0 440.565 4.088 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000101390573 557292267 /nfs/dbraw/zinc/29/22/67/557292267.db2.gz QYAKPKBBJJABOU-QFIPXVFZSA-N 0 0 439.581 4.474 50 0 IIAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000101879390 557296280 /nfs/dbraw/zinc/29/62/80/557296280.db2.gz ZAYSVDYPHSILKN-SLFFLAALSA-N 0 0 440.908 4.461 50 0 IIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000014075833 557299070 /nfs/dbraw/zinc/29/90/70/557299070.db2.gz ZVNQWQMVRUMTOQ-UHFFFAOYSA-N 0 0 449.488 4.264 50 0 IIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000014115573 557305538 /nfs/dbraw/zinc/30/55/38/557305538.db2.gz KVFHGHXZRWFHJH-NRFANRHFSA-N 0 0 447.560 4.230 50 0 IIAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c2ccccc2S1 ZINC000014139159 557309338 /nfs/dbraw/zinc/30/93/38/557309338.db2.gz CZAAVERCJVSXPM-NSYGIPOTSA-N 0 0 449.576 4.078 50 0 IIAARN COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)cc(OC)c1OC ZINC000032819562 557315854 /nfs/dbraw/zinc/31/58/54/557315854.db2.gz QDNVJPFWPUWCNB-MOPGFXCFSA-N 0 0 438.524 4.047 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102256527 557316618 /nfs/dbraw/zinc/31/66/18/557316618.db2.gz CZKUXILRVZQWNJ-NRFANRHFSA-N 0 0 425.554 4.146 50 0 IIAARN C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102272062 557317198 /nfs/dbraw/zinc/31/71/98/557317198.db2.gz JIKPEUOWUNNUBR-FHWLQOOXSA-N 0 0 432.524 4.269 50 0 IIAARN CCc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000102288650 557317433 /nfs/dbraw/zinc/31/74/33/557317433.db2.gz FVGQPNPUCKBQKG-WOJBJXKFSA-N 0 0 440.565 4.033 50 0 IIAARN Cc1cc(Sc2ccccc2NC(=O)COc2ccc(Cl)cc2)n2ncnc2n1 ZINC000032958434 557319177 /nfs/dbraw/zinc/31/91/77/557319177.db2.gz CTFPKMHFEJKJLC-UHFFFAOYSA-N 0 0 425.901 4.255 50 0 IIAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nnnn32)cc1OCc1ccccc1 ZINC000102374655 557321320 /nfs/dbraw/zinc/32/13/20/557321320.db2.gz BFYMOHJTJFKKTC-OAQYLSRUSA-N 0 0 429.455 4.456 50 0 IIAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N3CCCCCC3)c2sc1NC(C)=O ZINC000033113598 557325985 /nfs/dbraw/zinc/32/59/85/557325985.db2.gz LVEVNKMPXMVQJH-UHFFFAOYSA-N 0 0 432.542 4.126 50 0 IIAARN CCCCN(CC)c1ccc2nnc(CCc3nc(-c4ccc(Cl)cc4)no3)n2n1 ZINC000033279876 557331596 /nfs/dbraw/zinc/33/15/96/557331596.db2.gz BMOMTJNZFZUQBU-UHFFFAOYSA-N 0 0 425.924 4.239 50 0 IIAARN CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(F)cc2)CO1 ZINC000100142971 557333975 /nfs/dbraw/zinc/33/39/75/557333975.db2.gz KPPWSVICCUUWOM-UHFFFAOYSA-N 0 0 439.512 4.024 50 0 IIAARN C[C@@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1Cc1cccc2ccccc21 ZINC000033433999 557335420 /nfs/dbraw/zinc/33/54/20/557335420.db2.gz BRMNHBLSLCMDOK-MHZLTWQESA-N 0 0 443.547 4.196 50 0 IIAARN CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000328590507 557337813 /nfs/dbraw/zinc/33/78/13/557337813.db2.gz RRHOLMXPHGORBP-UHFFFAOYSA-N 0 0 429.645 4.341 50 0 IIAARN C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916977 557343546 /nfs/dbraw/zinc/34/35/46/557343546.db2.gz RQTJYMZKHFRGCB-JSGCOSHPSA-N 0 0 436.396 4.474 50 0 IIAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N(C)CC(C)C)cc2)n1 ZINC000023429834 557355153 /nfs/dbraw/zinc/35/51/53/557355153.db2.gz GLLOWCKESLCZFQ-UHFFFAOYSA-N 0 0 435.524 4.453 50 0 IIAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102603323 557358129 /nfs/dbraw/zinc/35/81/29/557358129.db2.gz QWEWPUFCABXJGN-YCRPNKLZSA-N 0 0 432.480 4.369 50 0 IIAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1 ZINC000023458433 557359737 /nfs/dbraw/zinc/35/97/37/557359737.db2.gz OIQQVXFHJIECGK-UHFFFAOYSA-N 0 0 435.434 4.316 50 0 IIAARN Cc1ccccc1CSc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12 ZINC000064593850 557363914 /nfs/dbraw/zinc/36/39/14/557363914.db2.gz DPECQFFLJWLAJR-UHFFFAOYSA-N 0 0 427.327 4.243 50 0 IIAARN C[C@H](c1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000023483454 557363983 /nfs/dbraw/zinc/36/39/83/557363983.db2.gz MKGHSNXYPHODSN-HRCADAONSA-N 0 0 436.025 4.425 50 0 IIAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)c1 ZINC000102742332 557376619 /nfs/dbraw/zinc/37/66/19/557376619.db2.gz LETHRQGOKYTXCQ-RCXJIHSJSA-N 0 0 438.568 4.319 50 0 IIAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(C)c3cc2c1C ZINC000011691866 557385134 /nfs/dbraw/zinc/38/51/34/557385134.db2.gz RQVQFDBFVGFBAL-UHFFFAOYSA-N 0 0 433.460 4.442 50 0 biogenic IIAARN FC(F)Oc1ccccc1[C@@H]1CC(c2ccc(Br)s2)=Nc2nnnn21 ZINC000102799928 557390024 /nfs/dbraw/zinc/39/00/24/557390024.db2.gz RXVUEEBHHBSETE-JTQLQIEISA-N 0 0 426.246 4.155 50 0 IIAARN CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CCN(c3ccccc3)CC2)c1=O ZINC000024022822 557391242 /nfs/dbraw/zinc/39/12/42/557391242.db2.gz VAGXGNSLZXAILL-DEOSSOPVSA-N 0 0 437.971 4.447 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000102872875 557395856 /nfs/dbraw/zinc/39/58/56/557395856.db2.gz IAMAPSZJPUDCCM-GGAORHGYSA-N 0 0 437.496 4.440 50 0 IIAARN Cn1c2ccccc2nc(CCC(=O)NCCC(c2ccccc2)c2ccccc2)c1=O ZINC000072404032 557396053 /nfs/dbraw/zinc/39/60/53/557396053.db2.gz GRBDWNQKIVSAEA-UHFFFAOYSA-N 0 0 425.532 4.205 50 0 IIAARN CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)cc4)cc3)nn12 ZINC000013954814 557397391 /nfs/dbraw/zinc/39/73/91/557397391.db2.gz UWOQAFYONYMJBZ-UHFFFAOYSA-N 0 0 442.342 4.108 50 0 IIAARN CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccco1 ZINC000002387766 557414714 /nfs/dbraw/zinc/41/47/14/557414714.db2.gz SMYYBFHADSLNSX-UHFFFAOYSA-N 0 0 443.273 4.330 50 0 IIAARN CC(=O)N1CCc2cc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3Cl)ccc21 ZINC000024485189 557425665 /nfs/dbraw/zinc/42/56/65/557425665.db2.gz WJVNBRWNDISGBX-HXUWFJFHSA-N 0 0 428.916 4.062 50 0 IIAARN O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOCC2)nc1 ZINC000014803488 557457231 /nfs/dbraw/zinc/45/72/31/557457231.db2.gz TXPZIWBKEKYJTR-UHFFFAOYSA-N 0 0 440.503 4.128 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2sccc2C1 ZINC000014808152 557457996 /nfs/dbraw/zinc/45/79/96/557457996.db2.gz IEONNDRXVCCKED-UHFFFAOYSA-N 0 0 433.558 4.124 50 0 IIAARN CCOc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)C(C)C)cc1 ZINC000104960438 557469462 /nfs/dbraw/zinc/46/94/62/557469462.db2.gz JYJXTTTUPQDWMQ-NQIIRXRSSA-N 0 0 429.561 4.029 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000106536027 557529906 /nfs/dbraw/zinc/52/99/06/557529906.db2.gz FGLYMLHCRSZOMT-WBADGQHESA-N 0 0 440.524 4.455 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC[C@H](C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000106884535 557532918 /nfs/dbraw/zinc/53/29/18/557532918.db2.gz SJJDDKMWQDLQFO-WDNCENIBSA-N 0 0 445.563 4.354 50 0 IIAARN CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000106916168 557533650 /nfs/dbraw/zinc/53/36/50/557533650.db2.gz CWMJUDKHKGHCSU-YFXJRYMSSA-N 0 0 440.609 4.417 50 0 IIAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000107176904 557535329 /nfs/dbraw/zinc/53/53/29/557535329.db2.gz OUTUFTUYHVIXOP-GQOCTPOGSA-N 0 0 435.886 4.250 50 0 IIAARN O=c1c2sccc2nc(SCc2nc(-c3ccncc3)no2)n1-c1ccc(F)cc1 ZINC000045939281 557548411 /nfs/dbraw/zinc/54/84/11/557548411.db2.gz JXJVNLZNEOXXPH-UHFFFAOYSA-N 0 0 437.481 4.324 50 0 IIAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4c(C)cccc4CC)n3n2)cc1 ZINC000045939213 557548421 /nfs/dbraw/zinc/54/84/21/557548421.db2.gz ZHRIZBFAGWODBI-UHFFFAOYSA-N 0 0 447.564 4.249 50 0 IIAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccc4c(c2)OCO4)n(C)c(=O)n3C)cc1 ZINC000045940949 557549350 /nfs/dbraw/zinc/54/93/50/557549350.db2.gz RBBUMOMERVJBDT-UHFFFAOYSA-N 0 0 447.516 4.318 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1 ZINC000045942888 557552192 /nfs/dbraw/zinc/55/21/92/557552192.db2.gz SJIABXYJYGYHBY-UHFFFAOYSA-N 0 0 441.896 4.080 50 0 IIAARN C[C@@H]1CN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000039404180 557646895 /nfs/dbraw/zinc/64/68/95/557646895.db2.gz VUGVVZVEEYRGLD-ZIAGYGMSSA-N 0 0 434.464 4.066 50 0 IIAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000000842003 557700438 /nfs/dbraw/zinc/70/04/38/557700438.db2.gz HTJRYTCZBGXUTI-BAWWGMJKSA-N 0 0 439.511 4.165 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 ZINC000225511934 557732858 /nfs/dbraw/zinc/73/28/58/557732858.db2.gz UGQXFYRWOZVSLE-FQEVSTJZSA-N 0 0 438.509 4.370 50 0 IIAARN O=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225511899 557732871 /nfs/dbraw/zinc/73/28/71/557732871.db2.gz UGQXFYRWOZVSLE-HXUWFJFHSA-N 0 0 438.509 4.370 50 0 IIAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1C ZINC000225540276 557738830 /nfs/dbraw/zinc/73/88/30/557738830.db2.gz CVNDXSRJTNHHBJ-UHFFFAOYSA-N 0 0 432.586 4.084 50 0 IIAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000225641233 557755637 /nfs/dbraw/zinc/75/56/37/557755637.db2.gz 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COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000000856414 557831447 /nfs/dbraw/zinc/83/14/47/557831447.db2.gz OMAGOCFBAVCMJJ-UHFFFAOYSA-N 0 0 435.889 4.050 50 0 IIAARN O=C(c1cccs1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000229991987 557834851 /nfs/dbraw/zinc/83/48/51/557834851.db2.gz HROKOPSLEPNVPX-YSFYHYPLSA-N 0 0 444.487 4.286 50 0 IIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC4CCCC4)c3N2)cc1OC ZINC000000866096 557839492 /nfs/dbraw/zinc/83/94/92/557839492.db2.gz LBWOOPQEVHQFFQ-QAPCUYQASA-N 0 0 438.450 4.233 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cnc12 ZINC000025023579 557840156 /nfs/dbraw/zinc/84/01/56/557840156.db2.gz BEFYGSMPOLVATK-QGZVFWFLSA-N 0 0 432.549 4.111 50 0 IIAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000002724254 557841434 /nfs/dbraw/zinc/84/14/34/557841434.db2.gz UZTLTDLDMOJORK-QHCPKHFHSA-N 0 0 434.467 4.335 50 0 IIAARN O=S(=O)(NC[C@H](c1ccc(F)cc1F)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000238950234 557842235 /nfs/dbraw/zinc/84/22/35/557842235.db2.gz XGSIEJKLFVQFRL-QGZVFWFLSA-N 0 0 435.323 4.387 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000241644472 557846905 /nfs/dbraw/zinc/84/69/05/557846905.db2.gz PRAVPOLHNVFSPT-LBRJOISOSA-N 0 0 430.770 4.412 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3nc(C)c(Cc4cccc(C)c4)c(C)n3n2)c1 ZINC000003631693 557849492 /nfs/dbraw/zinc/84/94/92/557849492.db2.gz KYHQCNFYTZUCHL-UHFFFAOYSA-N 0 0 447.564 4.380 50 0 IIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018702140 557854923 /nfs/dbraw/zinc/85/49/23/557854923.db2.gz YWILVTCKGQDLDA-HOTGVXAUSA-N 0 0 439.478 4.055 50 0 IIAARN Cc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)c(C)c1 ZINC000001320931 562921206 /nfs/dbraw/zinc/92/12/06/562921206.db2.gz WVYPALIZRNBWEU-UHFFFAOYSA-N 0 0 432.505 4.186 50 0 IIAARN Cc1cc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)n(-c2ccc(C)cc2)n1 ZINC000002367749 562927240 /nfs/dbraw/zinc/92/72/40/562927240.db2.gz 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O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000003039127 562932072 /nfs/dbraw/zinc/93/20/72/562932072.db2.gz QMFSYNUZYJQESL-XMMPIXPASA-N 0 0 438.499 4.189 50 0 IIAARN COc1ccccc1CNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003235734 562933205 /nfs/dbraw/zinc/93/32/05/562933205.db2.gz MZPRCHLFLQKHED-UHFFFAOYSA-N 0 0 432.501 4.445 50 0 IIAARN COc1ccc(CCNC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1OC ZINC000003335621 562934370 /nfs/dbraw/zinc/93/43/70/562934370.db2.gz HOAGSIIDSHYBCO-UHFFFAOYSA-N 0 0 447.607 4.131 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000003352982 562934668 /nfs/dbraw/zinc/93/46/68/562934668.db2.gz YJXWSKXUWSQPRE-NSHDSACASA-N 0 0 435.343 4.163 50 0 IIAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2c[nH]c3ccccc32)cc1OC ZINC000003364773 562934937 /nfs/dbraw/zinc/93/49/37/562934937.db2.gz FOPXCFFROVQCKO-UHFFFAOYSA-N 0 0 448.431 4.070 50 0 IIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2COC)c1C ZINC000003451333 562936102 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0 IIAARN COc1cc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc(OC)c1OC ZINC000008586689 562950171 /nfs/dbraw/zinc/95/01/71/562950171.db2.gz FOISDJKPPDQJFU-UHFFFAOYSA-N 0 0 442.899 4.373 50 0 IIAARN CCc1ccc(NC(=O)Cn2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)cc1 ZINC000008587239 562950259 /nfs/dbraw/zinc/95/02/59/562950259.db2.gz KRCUQUOLGYPYPS-UHFFFAOYSA-N 0 0 440.503 4.223 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587841 562950467 /nfs/dbraw/zinc/95/04/67/562950467.db2.gz LDUDSYGKAURJND-UHFFFAOYSA-N 0 0 434.521 4.297 50 0 aggregator IIAARN CSc1ccc(CCNC(=O)CN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1 ZINC000008590320 562951628 /nfs/dbraw/zinc/95/16/28/562951628.db2.gz MTOZQJBXKDNOIR-UHFFFAOYSA-N 0 0 433.533 4.223 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(-c3ccc4c(c3)OCO4)cn(-c3ccccc3)c2=O)cc1C ZINC000008595073 562953234 /nfs/dbraw/zinc/95/32/34/562953234.db2.gz HSMRFZSXXIRNHY-UHFFFAOYSA-N 0 0 441.487 4.290 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000008595769 562953621 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COc1ccc2nc(N(Cc3cccnc3)C(=O)[C@H]3COc4ccccc4O3)sc2c1 ZINC000008601602 562955508 /nfs/dbraw/zinc/95/55/08/562955508.db2.gz GMIZBGPTHGISRP-HXUWFJFHSA-N 0 0 433.489 4.073 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000008601921 562955755 /nfs/dbraw/zinc/95/57/55/562955755.db2.gz LGELOYKAYKCJMP-FQEVSTJZSA-N 0 0 449.619 4.167 50 0 IIAARN COc1ccccc1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603394 562956010 /nfs/dbraw/zinc/95/60/10/562956010.db2.gz IAWWOWXMYJFVCZ-UHFFFAOYSA-N 0 0 429.520 4.462 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c1 ZINC000008603746 562956038 /nfs/dbraw/zinc/95/60/38/562956038.db2.gz MDHPOGGBDCCPJG-UHFFFAOYSA-N 0 0 439.512 4.431 50 0 IIAARN CCCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc21 ZINC000008603919 562956192 /nfs/dbraw/zinc/95/61/92/562956192.db2.gz BNBPPUBFEVBQQP-UHFFFAOYSA-N 0 0 445.537 4.050 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1 ZINC000008610066 562958111 /nfs/dbraw/zinc/95/81/11/562958111.db2.gz DOIAFQYDNCRFNI-UHFFFAOYSA-N 0 0 438.553 4.333 50 0 aggregator IIAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000008610541 562958179 /nfs/dbraw/zinc/95/81/79/562958179.db2.gz YPVJAQMKVLKZLU-KRWDZBQOSA-N 0 0 429.977 4.132 50 0 IIAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1 ZINC000008610578 562958263 /nfs/dbraw/zinc/95/82/63/562958263.db2.gz WVTQAZXATAGWFF-UHFFFAOYSA-N 0 0 442.563 4.337 50 0 aggregator IIAARN CCCCOc1ccc(S(=O)(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000008611371 562958553 /nfs/dbraw/zinc/95/85/53/562958553.db2.gz NEZCPMORMRMTQF-UHFFFAOYSA-N 0 0 432.567 4.476 50 0 IIAARN O=C(NCc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000008613987 562959547 /nfs/dbraw/zinc/95/95/47/562959547.db2.gz HFDUOWIXSLPRSE-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 aggregator IIAARN CCc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1 ZINC000008619000 562959758 /nfs/dbraw/zinc/95/97/58/562959758.db2.gz VNXOSNCZPNMYHP-UHFFFAOYSA-N 0 0 437.569 4.286 50 0 IIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)Nc1cccc(C)c1C)c2=O ZINC000008673354 562961160 /nfs/dbraw/zinc/96/11/60/562961160.db2.gz FUJLMZBNANQCKC-UHFFFAOYSA-N 0 0 435.915 4.108 50 0 IIAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(CC)cc4)c3C2=O)CC1 ZINC000008680382 562961503 /nfs/dbraw/zinc/96/15/03/562961503.db2.gz HFLTZGDWQGFSEH-UHFFFAOYSA-N 0 0 435.524 4.078 50 0 IIAARN Cc1nc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)cc1Cl ZINC000008690633 562963201 /nfs/dbraw/zinc/96/32/01/562963201.db2.gz CLTDJPDWPXRJHE-UHFFFAOYSA-N 0 0 439.280 4.206 50 0 IIAARN COc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4cccc(F)c4[nH]3)s2)cc1 ZINC000008831423 562965044 /nfs/dbraw/zinc/96/50/44/562965044.db2.gz BRVSDJUNTGMPEP-UHFFFAOYSA-N 0 0 442.497 4.072 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3ccc(C)cc3)o2)cc1OC ZINC000009115810 562967196 /nfs/dbraw/zinc/96/71/96/562967196.db2.gz QZMAMVFPQUBDKB-HKBQPEDESA-N 0 0 441.549 4.027 50 0 IIAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000009412040 562970390 /nfs/dbraw/zinc/97/03/90/562970390.db2.gz LZZUNBXIRMUOMC-HXUWFJFHSA-N 0 0 440.341 4.331 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2oc1C(=O)NCc1ccccc1 ZINC000009673169 562975295 /nfs/dbraw/zinc/97/52/95/562975295.db2.gz DNRXFINWYKFCPN-CALCHBBNSA-N 0 0 440.565 4.338 50 0 IIAARN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc(OC)c1OC ZINC000009708219 562975686 /nfs/dbraw/zinc/97/56/86/562975686.db2.gz DJQKPIFCGBTKDP-LJQANCHMSA-N 0 0 438.549 4.308 50 0 IIAARN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccccc2N2CCOCC2)cc1C ZINC000011821069 562979502 /nfs/dbraw/zinc/97/95/02/562979502.db2.gz OKCHKKQKLKQCRN-QHCPKHFHSA-N 0 0 430.552 4.133 50 0 IIAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012952931 562983667 /nfs/dbraw/zinc/98/36/67/562983667.db2.gz JJXMNNHIUXTVOG-JOCHJYFZSA-N 0 0 440.609 4.028 50 0 IIAARN COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)c(Cl)c(O)c1C(=O)OC ZINC000014618675 563014625 /nfs/dbraw/zinc/01/46/25/563014625.db2.gz UWTOESDPWKUNBD-UHFFFAOYSA-N 0 0 431.224 4.087 50 0 biogenic,in-vitro IIAARN O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1 ZINC000056896275 563142674 /nfs/dbraw/zinc/14/26/74/563142674.db2.gz GZKMUQYTBPGZSN-XMMPIXPASA-N 0 0 434.515 4.010 50 0 IIAARN C[C@@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000085997930 563179968 /nfs/dbraw/zinc/17/99/68/563179968.db2.gz RAGAQGITTWHNKI-XMSQKQJNSA-N 0 0 425.623 4.487 50 0 IIAARN CC(C)OC[C@@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983991 568622883 /nfs/dbraw/zinc/62/28/83/568622883.db2.gz RNKZCSCBXFLBRV-LEWJYISDSA-N 0 0 434.939 4.260 50 0 IIAARN CC(C)OC[C@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983987 568623236 /nfs/dbraw/zinc/62/32/36/568623236.db2.gz RNKZCSCBXFLBRV-NHCUHLMSSA-N 0 0 434.939 4.260 50 0 IIAARN CCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3CC)sc2c1 ZINC000000915480 568637124 /nfs/dbraw/zinc/63/71/24/568637124.db2.gz NIPMTNPSUYHIQG-UHFFFAOYSA-N 0 0 440.550 4.156 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000000915483 568637172 /nfs/dbraw/zinc/63/71/72/568637172.db2.gz YRHRROTZNLKSAU-UHFFFAOYSA-N 0 0 425.897 4.422 50 0 IIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n(-c2ccccn2)n1 ZINC000025143652 568639765 /nfs/dbraw/zinc/63/97/65/568639765.db2.gz ADMYTKLIXSSQPJ-UHFFFAOYSA-N 0 0 442.475 4.372 50 0 IIAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000025156039 568643866 /nfs/dbraw/zinc/64/38/66/568643866.db2.gz KBILHHDGOBYTBU-ZIAGYGMSSA-N 0 0 436.961 4.293 50 0 IIAARN COc1ccc(CC(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(Cl)cc2)cc1 ZINC000086066198 568644402 /nfs/dbraw/zinc/64/44/02/568644402.db2.gz QPGNHSRDSSOALM-UHFFFAOYSA-N 0 0 435.915 4.179 50 0 IIAARN Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4F)cc3C2=O)c(C)c1 ZINC000000952546 568645486 /nfs/dbraw/zinc/64/54/86/568645486.db2.gz SXGFRWDKGLFAHT-UHFFFAOYSA-N 0 0 446.434 4.039 50 0 IIAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc(Cn2ccnc2)c1 ZINC000025169475 568646814 /nfs/dbraw/zinc/64/68/14/568646814.db2.gz BYUKKXOWOFAIIH-UHFFFAOYSA-N 0 0 438.487 4.100 50 0 IIAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)cc1Br ZINC000000973327 568647772 /nfs/dbraw/zinc/64/77/72/568647772.db2.gz VWISBCSFWODKEL-VZSAFFHGSA-N 0 0 437.334 4.208 50 0 IIAARN O=C1c2ccccc2C(=O)N1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000984150 568648767 /nfs/dbraw/zinc/64/87/67/568648767.db2.gz JIFCCZOQEGAQOV-UHFFFAOYSA-N 0 0 430.030 4.107 50 0 IIAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C1=O ZINC000001008456 568650771 /nfs/dbraw/zinc/65/07/71/568650771.db2.gz VJHHRGYIAOFORP-IEMQHYRPSA-N 0 0 438.427 4.484 50 0 IIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000001002513 568650785 /nfs/dbraw/zinc/65/07/85/568650785.db2.gz DTRJUKVRKGCKOT-CYBMUJFWSA-N 0 0 432.567 4.403 50 0 IIAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)NCc2ccccc2)cc1 ZINC000025393998 568656208 /nfs/dbraw/zinc/65/62/08/568656208.db2.gz YVZMGRHENJIYGY-UHFFFAOYSA-N 0 0 446.532 4.152 50 0 IIAARN CC(C)OC(=O)COc1ccc2c(c1)O[C@@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001080908 568657267 /nfs/dbraw/zinc/65/72/67/568657267.db2.gz LLCNPMHOLRSWJH-CPJSRVTESA-N 0 0 438.524 4.109 50 0 IIAARN O=C1Nc2ccc([C@]3(Cc4ccccn4)C(=O)Nc4ccccc43)cc2/C1=C\c1ccccn1 ZINC000211086222 568703977 /nfs/dbraw/zinc/70/39/77/568703977.db2.gz FZBZNYQJUGHYJV-UJFVEGPDSA-N 0 0 444.494 4.450 50 0 IIAARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ncn(-c2ccc(Cl)cc2)n1 ZINC000261490687 568734128 /nfs/dbraw/zinc/73/41/28/568734128.db2.gz XFWZOEWQFRYRAN-UHFFFAOYSA-N 0 0 434.761 4.298 50 0 IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000001199834 568736713 /nfs/dbraw/zinc/73/67/13/568736713.db2.gz UBLSUGNDNBMZRJ-VIFPVBQESA-N 0 0 445.324 4.045 50 0 IIAARN COc1ccc(NC(=O)/C(=C/c2cccc(Br)c2)NC(=O)c2ccco2)cc1 ZINC000001212728 568738568 /nfs/dbraw/zinc/73/85/68/568738568.db2.gz BDSFUYZQVKIHFC-AQTBWJFISA-N 0 0 441.281 4.460 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1Cl ZINC000003297524 568745511 /nfs/dbraw/zinc/74/55/11/568745511.db2.gz YXKWDLIEQGEBIB-UHFFFAOYSA-N 0 0 445.976 4.349 50 0 IIAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1 ZINC000003314120 568745849 /nfs/dbraw/zinc/74/58/49/568745849.db2.gz KWUCXPBMUZZOOV-UHFFFAOYSA-N 0 0 445.566 4.122 50 0 IIAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003345593 568746520 /nfs/dbraw/zinc/74/65/20/568746520.db2.gz XJLJFZLZFXAYJG-UHFFFAOYSA-N 0 0 447.545 4.097 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003353443 568746997 /nfs/dbraw/zinc/74/69/97/568746997.db2.gz XYQVDYRHHJQEDY-CQSZACIVSA-N 0 0 434.477 4.375 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OCCOc3ccccc3F)cc2)cc1 ZINC000003416036 568748711 /nfs/dbraw/zinc/74/87/11/568748711.db2.gz CBHXXGLUUHCDPY-UHFFFAOYSA-N 0 0 431.485 4.117 50 0 IIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C1 ZINC000003517837 568750465 /nfs/dbraw/zinc/75/04/65/568750465.db2.gz KWAKVQVAAGJNCG-GJZGRUSLSA-N 0 0 429.567 4.215 50 0 IIAARN Cc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)Cc2cccs2)cc1 ZINC000003614803 568751516 /nfs/dbraw/zinc/75/15/16/568751516.db2.gz TUHSONJYIMDGFE-HSZRJFAPSA-N 0 0 436.533 4.209 50 0 IIAARN COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Br)c1OC(C)=O ZINC000015264469 568751671 /nfs/dbraw/zinc/75/16/71/568751671.db2.gz KIAPKKGINJJNFG-SXGWCWSVSA-N 0 0 430.254 4.036 50 0 IIAARN Cc1ccc(COc2ccc(/C=c3/sc4nnc(-c5ccccc5)n4c3=O)cc2)cc1 ZINC000003651486 568752748 /nfs/dbraw/zinc/75/27/48/568752748.db2.gz FAFBICDURHIJTH-PXLXIMEGSA-N 0 0 425.513 4.253 50 0 IIAARN CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)NC1=S ZINC000003662632 568753923 /nfs/dbraw/zinc/75/39/23/568753923.db2.gz TUBHXQPSFLHJID-YBEGLDIGSA-N 0 0 447.354 4.114 50 0 IIAARN Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(O)c2)C(Cl)(Cl)Cl)cc1 ZINC000004017680 568758496 /nfs/dbraw/zinc/75/84/96/568758496.db2.gz UDZRFRMNUGFGKO-HNNXBMFYSA-N 0 0 432.760 4.113 50 0 IIAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000004026655 568758759 /nfs/dbraw/zinc/75/87/59/568758759.db2.gz YEHJSCLXMKVPNE-HKCQAQHESA-N 0 0 434.642 4.321 50 0 biogenic IIAARN COc1ccc(-c2noc(CCCC(=O)N3CCCC[C@@H]3c3cccnc3)n2)cc1OC ZINC000263585169 568758947 /nfs/dbraw/zinc/75/89/47/568758947.db2.gz FWJGVORBJNGJFZ-LJQANCHMSA-N 0 0 436.512 4.225 50 0 biogenic IIAARN CCCCS[C@@H]1CCCC[C@H]1OC(=O)CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586686 568759500 /nfs/dbraw/zinc/75/95/00/568759500.db2.gz WXRHXRQJLTZHBC-YVNJGZBMSA-N 0 0 432.630 4.045 50 0 biogenic IIAARN COc1ccc(CNC(=O)CS[C@H]2c3ccccc3C(=O)N2Cc2cccs2)cc1 ZINC000004108833 568775628 /nfs/dbraw/zinc/77/56/28/568775628.db2.gz BQYXIAFTFLHPOV-QHCPKHFHSA-N 0 0 438.574 4.461 50 0 IIAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)ccc1OC ZINC000263617835 568777488 /nfs/dbraw/zinc/77/74/88/568777488.db2.gz PYRBXFMRMIAFQI-OAQYLSRUSA-N 0 0 436.443 4.418 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c32)C1 ZINC000001321053 568779990 /nfs/dbraw/zinc/77/99/90/568779990.db2.gz MQWDVHNQFUACAB-NSHDSACASA-N 0 0 448.951 4.435 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(Cl)c1Cl ZINC000001321005 568780012 /nfs/dbraw/zinc/78/00/12/568780012.db2.gz GMTRRQGRVRFVMO-UHFFFAOYSA-N 0 0 431.304 4.466 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2ccccc2I)C2CC2)c1 ZINC000025804100 568781696 /nfs/dbraw/zinc/78/16/96/568781696.db2.gz REAMPUKCTTUZBG-UHFFFAOYSA-N 0 0 437.277 4.113 50 0 IIAARN O=C(COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000019171995 568782333 /nfs/dbraw/zinc/78/23/33/568782333.db2.gz TUFDMXIFTYARBT-UHFFFAOYSA-N 0 0 449.894 4.188 50 0 IIAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000002501346 568782837 /nfs/dbraw/zinc/78/28/37/568782837.db2.gz NATHGFUAEYPICD-MRXNPFEDSA-N 0 0 432.336 4.033 50 0 IIAARN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)c1 ZINC000004163779 568783010 /nfs/dbraw/zinc/78/30/10/568783010.db2.gz KEDSXGLPKWXBSX-LJQANCHMSA-N 0 0 426.822 4.223 50 0 IIAARN CCOC(=O)c1nn(-c2ccc(C)cc2)cc1-c1onc(-c2ccccc2)c1C(=O)OC ZINC000001398000 568785654 /nfs/dbraw/zinc/78/56/54/568785654.db2.gz NFTHADCJYLLRNO-UHFFFAOYSA-N 0 0 431.448 4.466 50 0 IIAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O)C(=O)c1ccccc1 ZINC000001159382 568788288 /nfs/dbraw/zinc/78/82/88/568788288.db2.gz GMWGTCVPNCPOFK-NRFANRHFSA-N 0 0 443.455 4.314 50 0 IIAARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000002803748 568789470 /nfs/dbraw/zinc/78/94/70/568789470.db2.gz DQSSAGLPTJTDDE-QMMMGPOBSA-N 0 0 427.205 4.280 50 0 IIAARN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000084027128 568789894 /nfs/dbraw/zinc/78/98/94/568789894.db2.gz ASAZMWFQWOVUEG-CYBMUJFWSA-N 0 0 440.341 4.474 50 0 IIAARN CCOC(=O)c1csc(-n2nc(-c3ccc(OC)cc3OC)cc2C(F)(F)F)n1 ZINC000001413629 568790178 /nfs/dbraw/zinc/79/01/78/568790178.db2.gz JTODQDCJHTWXDG-UHFFFAOYSA-N 0 0 427.404 4.209 50 0 IIAARN CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 ZINC000084105038 568792771 /nfs/dbraw/zinc/79/27/71/568792771.db2.gz LJFIZUXXRMCPDH-UHFFFAOYSA-N 0 0 431.265 4.293 50 0 IIAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000015496322 568792994 /nfs/dbraw/zinc/79/29/94/568792994.db2.gz DOQYLVFQSNNZBU-CYBMUJFWSA-N 0 0 427.353 4.269 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CSCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000015496033 568793006 /nfs/dbraw/zinc/79/30/06/568793006.db2.gz AXVYQIBZPWYCHX-UHFFFAOYSA-N 0 0 432.912 4.170 50 0 IIAARN Cc1c(C(=O)N(CC(N)=O)Cc2ccc(Br)cc2)sc2nc(C)cc(C)c12 ZINC000084114772 568793576 /nfs/dbraw/zinc/79/35/76/568793576.db2.gz MCWTUKMXSCWBCC-UHFFFAOYSA-N 0 0 446.370 4.112 50 0 IIAARN O=C(CSc1ncccc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000084358219 568797276 /nfs/dbraw/zinc/79/72/76/568797276.db2.gz ZYMBXJNCQXKFMB-HNNXBMFYSA-N 0 0 435.343 4.071 50 0 IIAARN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2cc(Br)ccc2o1 ZINC000084414485 568797790 /nfs/dbraw/zinc/79/77/90/568797790.db2.gz FCGLLIWHLDZPEK-UHFFFAOYSA-N 0 0 427.254 4.491 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000084445161 568797940 /nfs/dbraw/zinc/79/79/40/568797940.db2.gz MNHRUZMQVYENAY-CYBMUJFWSA-N 0 0 441.336 4.460 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015563893 568798321 /nfs/dbraw/zinc/79/83/21/568798321.db2.gz QWPVNGODFVKRNS-KRWDZBQOSA-N 0 0 426.513 4.378 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000015670639 568802527 /nfs/dbraw/zinc/80/25/27/568802527.db2.gz KQAHFNUBVCRQLF-QGZVFWFLSA-N 0 0 434.862 4.299 50 0 IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(C[C@@H]2CCCO2)C3=O)o1 ZINC000015675747 568803881 /nfs/dbraw/zinc/80/38/81/568803881.db2.gz ZACJJTLLGUNCBN-UQBPGWFLSA-N 0 0 441.572 4.165 50 0 IIAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(C[C@H]2CCCO2)C3=O)o1 ZINC000015675751 568803987 /nfs/dbraw/zinc/80/39/87/568803987.db2.gz ZACJJTLLGUNCBN-KBMIEXCESA-N 0 0 441.572 4.165 50 0 IIAARN C[C@H](NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000015722503 568812076 /nfs/dbraw/zinc/81/20/76/568812076.db2.gz OCXSZWBAODQBBG-IBGZPJMESA-N 0 0 439.581 4.083 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000015729821 568813629 /nfs/dbraw/zinc/81/36/29/568813629.db2.gz SVCHOCKMYHNXDR-UHFFFAOYSA-N 0 0 444.503 4.056 50 0 IIAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(C)c1 ZINC000015730523 568814108 /nfs/dbraw/zinc/81/41/08/568814108.db2.gz SSFXOVIJHVNELL-HNNXBMFYSA-N 0 0 433.599 4.465 50 0 IIAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)ccc1Br ZINC000015730463 568814159 /nfs/dbraw/zinc/81/41/59/568814159.db2.gz XVVOMPJXFVSLKR-LLVKDONJSA-N 0 0 441.372 4.381 50 0 IIAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2S1 ZINC000015730557 568814190 /nfs/dbraw/zinc/81/41/90/568814190.db2.gz PFPXIICVRYNWFX-SNVBAGLBSA-N 0 0 427.345 4.073 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000015734429 568816325 /nfs/dbraw/zinc/81/63/25/568816325.db2.gz OVSOAQZEWHARCI-UHFFFAOYSA-N 0 0 436.604 4.209 50 0 IIAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000085413464 568818595 /nfs/dbraw/zinc/81/85/95/568818595.db2.gz QZBOOYGSFWPGDR-PZJWPPBQSA-N 0 0 426.852 4.247 50 0 IIAARN Cc1sc2nc(CS[C@@H](C)C(=O)N(C)c3nc4ccccc4s3)[nH]c(=O)c2c1C ZINC000012812415 568818981 /nfs/dbraw/zinc/81/89/81/568818981.db2.gz ZJVYHUCTPKOQJJ-LBPRGKRZSA-N 0 0 444.607 4.496 50 0 IIAARN Cc1sc2nc(CS[C@H](C)C(=O)N(C)c3nc4ccccc4s3)[nH]c(=O)c2c1C ZINC000012812411 568819046 /nfs/dbraw/zinc/81/90/46/568819046.db2.gz ZJVYHUCTPKOQJJ-GFCCVEGCSA-N 0 0 444.607 4.496 50 0 IIAARN COc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)Nc3ncnn32)cc1 ZINC000001467359 568820338 /nfs/dbraw/zinc/82/03/38/568820338.db2.gz AWVSNYXYYVIQMD-SFHVURJKSA-N 0 0 429.402 4.233 50 0 IIAARN O=C(Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1)c1cccc(Cl)c1 ZINC000015772046 568822622 /nfs/dbraw/zinc/82/26/22/568822622.db2.gz JPIVJOFGTHJPQV-UHFFFAOYSA-N 0 0 439.880 4.019 50 0 IIAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000015783400 568826732 /nfs/dbraw/zinc/82/67/32/568826732.db2.gz KTCIXCIBMRZSMD-KRWDZBQOSA-N 0 0 426.929 4.471 50 0 IIAARN Cc1[nH]c(C(=O)N[C@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598266 568827220 /nfs/dbraw/zinc/82/72/20/568827220.db2.gz OWGNDKGHKBHRDZ-FQEVSTJZSA-N 0 0 429.586 4.004 50 0 IIAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccccc3)N2C1=O ZINC000015783646 568827263 /nfs/dbraw/zinc/82/72/63/568827263.db2.gz YARSBQZAZBOGFN-UZLBHIALSA-N 0 0 434.565 4.129 50 0 IIAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 ZINC000085644202 568829217 /nfs/dbraw/zinc/82/92/17/568829217.db2.gz BSAGYAYFMKRSAO-UHFFFAOYSA-N 0 0 438.461 4.149 50 0 IIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001508669 568835575 /nfs/dbraw/zinc/83/55/75/568835575.db2.gz AQIHEBBIBSIFHM-UHFFFAOYSA-N 0 0 437.493 4.001 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)COc2ccccc2)c1C ZINC000085711639 568835830 /nfs/dbraw/zinc/83/58/30/568835830.db2.gz FYLFYZIOXQHSJL-UHFFFAOYSA-N 0 0 434.536 4.459 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000001510277 568836508 /nfs/dbraw/zinc/83/65/08/568836508.db2.gz PKIRWWGDWHTUTR-UHFFFAOYSA-N 0 0 435.596 4.301 50 0 IIAARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OCC ZINC000002502876 568838249 /nfs/dbraw/zinc/83/82/49/568838249.db2.gz LEYSFZUZPUBSJF-OAQYLSRUSA-N 0 0 446.569 4.476 50 0 IIAARN CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1OCC ZINC000002486128 568838272 /nfs/dbraw/zinc/83/82/72/568838272.db2.gz NEIARCXQCBSCFZ-HXUWFJFHSA-N 0 0 432.542 4.087 50 0 IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccnn2C(C)C)cc1 ZINC000085878450 568838796 /nfs/dbraw/zinc/83/87/96/568838796.db2.gz MBKIFUBFTJSHFS-MRXNPFEDSA-N 0 0 446.459 4.393 50 0 biogenic IIAARN C[C@H](CCc1ccco1)NC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015821485 568839772 /nfs/dbraw/zinc/83/97/72/568839772.db2.gz FOGSEDRKQODBRL-OAHLLOKOSA-N 0 0 428.920 4.337 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCCC4)c4ccccc43)CC2)cc1 ZINC000015829783 568841456 /nfs/dbraw/zinc/84/14/56/568841456.db2.gz MCINPXRACACFLA-UHFFFAOYSA-N 0 0 443.595 4.461 50 0 IIAARN O=C(N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000808646 568841849 /nfs/dbraw/zinc/84/18/49/568841849.db2.gz HCWCLTNWEKCHPG-LBPRGKRZSA-N 0 0 427.140 4.346 50 0 IIAARN O=C(N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000003137327 568841857 /nfs/dbraw/zinc/84/18/57/568841857.db2.gz DQHFZIFVNLZOMP-GFCCVEGCSA-N 0 0 427.140 4.346 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3Cl)cc2)S1 ZINC000015832892 568842142 /nfs/dbraw/zinc/84/21/42/568842142.db2.gz KQWPYRCPOJBXRU-FQEVSTJZSA-N 0 0 447.944 4.189 50 0 IIAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000006144168 568846076 /nfs/dbraw/zinc/84/60/76/568846076.db2.gz PQLDIAQNANTQEF-QHCPKHFHSA-N 0 0 437.517 4.456 50 0 IIAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 ZINC000006145660 568846279 /nfs/dbraw/zinc/84/62/79/568846279.db2.gz ISANWGVGUDGPST-PBXXJUDPSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147110 568846285 /nfs/dbraw/zinc/84/62/85/568846285.db2.gz QQVDINOUFOHKSA-UHFFFAOYSA-N 0 0 434.876 4.297 50 0 IIAARN CN(c1nc2ccccc2n2c(-c3ccc(Cl)cc3)nnc12)S(=O)(=O)c1ccccc1 ZINC000006148392 568846784 /nfs/dbraw/zinc/84/67/84/568846784.db2.gz OWYHPEDRZYMUAW-UHFFFAOYSA-N 0 0 449.923 4.423 50 0 IIAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1O[C@H]3c1ccccc1)n(C)c(=O)n(C)c2=O ZINC000015858796 568846949 /nfs/dbraw/zinc/84/69/49/568846949.db2.gz VTZQFSZVXOFHRV-SANMLTNESA-N 0 0 449.510 4.485 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n2CC ZINC000006153645 568847510 /nfs/dbraw/zinc/84/75/10/568847510.db2.gz CCKAXKNSZHWDIB-UHFFFAOYSA-N 0 0 449.573 4.201 50 0 IIAARN Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)o1 ZINC000015861434 568848212 /nfs/dbraw/zinc/84/82/12/568848212.db2.gz LUWHRZBPSCGEMD-AWEZNQCLSA-N 0 0 427.570 4.286 50 0 IIAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1C(F)(F)F ZINC000006166745 568849245 /nfs/dbraw/zinc/84/92/45/568849245.db2.gz LZISJGCRQKORJQ-UHFFFAOYSA-N 0 0 430.411 4.178 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccc(F)cc3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000006167580 568849301 /nfs/dbraw/zinc/84/93/01/568849301.db2.gz BOCUFZCXOOGPPH-UHFFFAOYSA-N 0 0 434.496 4.217 50 0 IIAARN O=C(NCCCc1ccccc1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864349 568849756 /nfs/dbraw/zinc/84/97/56/568849756.db2.gz OLOPHMKRGIPGBV-UHFFFAOYSA-N 0 0 427.548 4.350 50 0 IIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c1 ZINC000015865573 568850325 /nfs/dbraw/zinc/85/03/25/568850325.db2.gz LYPUNAVKOCUPMZ-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN Cn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015870670 568852265 /nfs/dbraw/zinc/85/22/65/568852265.db2.gz WELOTRRCPRFFCM-UHFFFAOYSA-N 0 0 427.476 4.438 50 0 IIAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(c2ccccc2)c2ccccc2)[nH]c1=O ZINC000015881343 568855194 /nfs/dbraw/zinc/85/51/94/568855194.db2.gz HSVGKVDQKCHUGM-UHFFFAOYSA-N 0 0 427.508 4.318 50 0 IIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 ZINC000015882359 568856270 /nfs/dbraw/zinc/85/62/70/568856270.db2.gz SHFTVRBFFKHQQQ-UHFFFAOYSA-N 0 0 441.457 4.070 50 0 IIAARN Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)c1 ZINC000015882018 568856331 /nfs/dbraw/zinc/85/63/31/568856331.db2.gz HTMDKTISOJPFOD-DEOSSOPVSA-N 0 0 443.547 4.017 50 0 IIAARN CCOCCn1ccc2c(OCC(=O)Nc3cccc(C(F)(F)F)c3)cccc2c1=O ZINC000015882458 568856648 /nfs/dbraw/zinc/85/66/48/568856648.db2.gz KPXDUAAIJBIORF-UHFFFAOYSA-N 0 0 434.414 4.074 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883343 568857622 /nfs/dbraw/zinc/85/76/22/568857622.db2.gz RPMKSENLLZIDOZ-GOSISDBHSA-N 0 0 429.495 4.335 50 0 IIAARN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012937243 568866053 /nfs/dbraw/zinc/86/60/53/568866053.db2.gz XLXBFZBEZFJKRI-UHFFFAOYSA-N 0 0 431.823 4.230 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012938498 568867628 /nfs/dbraw/zinc/86/76/28/568867628.db2.gz FJOKRUDITMROMA-HSZRJFAPSA-N 0 0 426.532 4.157 50 0 IIAARN CCOc1ccc(OCCN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000016043395 568868414 /nfs/dbraw/zinc/86/84/14/568868414.db2.gz GYAHQIZTCJKGQQ-RUZDIDTESA-N 0 0 434.492 4.093 50 0 IIAARN Cc1cc(OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000016042882 568868494 /nfs/dbraw/zinc/86/84/94/568868494.db2.gz JBBAWHMIWYNKIE-QGZVFWFLSA-N 0 0 429.513 4.435 50 0 IIAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CN(C)CCOc2ccccc2Cl)C1=O ZINC000016046991 568868856 /nfs/dbraw/zinc/86/88/56/568868856.db2.gz GLWQCPFDJIZDDO-QHCPKHFHSA-N 0 0 447.938 4.385 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000575443339 568869007 /nfs/dbraw/zinc/86/90/07/568869007.db2.gz ZRVJCBUKMACNBA-OAQYLSRUSA-N 0 0 434.540 4.446 50 0 IIAARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000016047996 568869313 /nfs/dbraw/zinc/86/93/13/568869313.db2.gz ZBIKOXWLHQUIKE-UHFFFAOYSA-N 0 0 443.369 4.047 50 0 IIAARN NC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000016048047 568869442 /nfs/dbraw/zinc/86/94/42/568869442.db2.gz FOSBAUUJPHIIJM-UHFFFAOYSA-N 0 0 437.590 4.136 50 0 IIAARN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016099552 568870586 /nfs/dbraw/zinc/87/05/86/568870586.db2.gz BHUVNOTUBPLLJV-UHFFFAOYSA-N 0 0 427.322 4.296 50 0 IIAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000016134023 568871576 /nfs/dbraw/zinc/87/15/76/568871576.db2.gz FXRKALUPBVTLJQ-MRVAOUDQSA-N 0 0 435.480 4.394 50 0 IIAARN Cc1ccccc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000016202889 568872782 /nfs/dbraw/zinc/87/27/82/568872782.db2.gz IAYYOTOWFWJPPC-UHFFFAOYSA-N 0 0 441.597 4.412 50 0 IIAARN CC(C)(C)OC(=O)NC1CCC(CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000575599725 568877612 /nfs/dbraw/zinc/87/76/12/568877612.db2.gz LEWNMXCCTGZBQM-UHFFFAOYSA-N 0 0 432.380 4.306 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575613527 568879757 /nfs/dbraw/zinc/87/97/57/568879757.db2.gz RPDGIDWUFSQLRI-AWEZNQCLSA-N 0 0 445.239 4.333 50 0 IIAARN N=C1NC(=O)/C(=C\c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)S1 ZINC000006244961 568880998 /nfs/dbraw/zinc/88/09/98/568880998.db2.gz FEHMXDAYPYUNLI-WOJGMQOQSA-N 0 0 444.921 4.400 50 0 IIAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000006287147 568881928 /nfs/dbraw/zinc/88/19/28/568881928.db2.gz WXEHWGMBUSYMED-UHFFFAOYSA-N 0 0 425.554 4.304 50 0 IIAARN C[C@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)n1nc(-c2ccccc2)ccc1=O ZINC000575620799 568883038 /nfs/dbraw/zinc/88/30/38/568883038.db2.gz SYSUXDJMVGKQAY-GOSISDBHSA-N 0 0 439.519 4.310 50 0 IIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000012971972 568888226 /nfs/dbraw/zinc/88/82/26/568888226.db2.gz FDFUAJLVMDCWNR-UHFFFAOYSA-N 0 0 446.898 4.193 50 0 IIAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSc2ccccn2)CC1 ZINC000090608050 568890677 /nfs/dbraw/zinc/89/06/77/568890677.db2.gz GISHVBCXYYFWLC-QGZVFWFLSA-N 0 0 429.973 4.119 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSc2ccccn2)CC1 ZINC000090608051 568890805 /nfs/dbraw/zinc/89/08/05/568890805.db2.gz GISHVBCXYYFWLC-KRWDZBQOSA-N 0 0 429.973 4.119 50 0 IIAARN COc1cc(/C=C/C(=O)N2CCC(CSCc3ccco3)CC2)cc(OC)c1OC ZINC000090608355 568891179 /nfs/dbraw/zinc/89/11/79/568891179.db2.gz VPFHNHXEISPBOX-VOTSOKGWSA-N 0 0 431.554 4.491 50 0 IIAARN COc1cccc(CNC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)c1OC ZINC000090610145 568891436 /nfs/dbraw/zinc/89/14/36/568891436.db2.gz YCQMHDHCXJMXFU-UHFFFAOYSA-N 0 0 434.521 4.051 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1=O ZINC000012978413 568891890 /nfs/dbraw/zinc/89/18/90/568891890.db2.gz KEROGBPBBGNAHV-MHECFPHRSA-N 0 0 444.959 4.369 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)c2ccccc12 ZINC000012979957 568892032 /nfs/dbraw/zinc/89/20/32/568892032.db2.gz AQXRUZJAHRFRMC-SFHVURJKSA-N 0 0 445.519 4.298 50 0 IIAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012979856 568892088 /nfs/dbraw/zinc/89/20/88/568892088.db2.gz ISTCWZQFWNTGKI-QMMMGPOBSA-N 0 0 444.822 4.250 50 0 IIAARN CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073820 568892149 /nfs/dbraw/zinc/89/21/49/568892149.db2.gz ZUZBFNNMSSNIBD-MIAKESKMSA-N 0 0 427.541 4.057 50 0 biogenic IIAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1Cl ZINC000090610602 568892189 /nfs/dbraw/zinc/89/21/89/568892189.db2.gz WRHNJYYPNWVTRY-UHFFFAOYSA-N 0 0 427.956 4.181 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000012987134 568895035 /nfs/dbraw/zinc/89/50/35/568895035.db2.gz ANGHNZPQDKVSLE-UHFFFAOYSA-N 0 0 425.916 4.100 50 0 IIAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)[C@@H]1C ZINC000012989856 568895275 /nfs/dbraw/zinc/89/52/75/568895275.db2.gz YKQAVFHYPCAIKJ-HBUWYVDXSA-N 0 0 447.428 4.335 50 0 IIAARN Cc1ccc(CSc2nnc(NC(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000040052512 568896371 /nfs/dbraw/zinc/89/63/71/568896371.db2.gz KZAKTRAESAGCED-DBTPVHCXSA-N 0 0 438.578 4.295 50 0 IIAARN CCc1c(C)sc2nc(SCc3ccoc3C(=O)OC)n(C[C@H]3CCCO3)c(=O)c12 ZINC000013005820 568899318 /nfs/dbraw/zinc/89/93/18/568899318.db2.gz LJDGKOVSASCWBQ-CQSZACIVSA-N 0 0 448.566 4.180 50 0 IIAARN C[C@@H](NC(=O)CCSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 ZINC000013010962 568900152 /nfs/dbraw/zinc/90/01/52/568900152.db2.gz HUMHWWWIVDMWMZ-CQSZACIVSA-N 0 0 427.595 4.233 50 0 IIAARN COC(=O)c1ccc2c(c1)nc(CN1CCc3sccc3[C@H]1c1ccccc1)[nH]c2=O ZINC000013012432 568901145 /nfs/dbraw/zinc/90/11/45/568901145.db2.gz BDQNZFMFGSCUDR-JOCHJYFZSA-N 0 0 431.517 4.331 50 0 IIAARN O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000013021410 568902295 /nfs/dbraw/zinc/90/22/95/568902295.db2.gz DAHVGRRNRVGILO-UHFFFAOYSA-N 0 0 425.491 4.479 50 0 IIAARN CCOC(=O)c1csc(CN(CCOC)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000016457895 568905345 /nfs/dbraw/zinc/90/53/45/568905345.db2.gz XERQEVGIKGWHQB-UHFFFAOYSA-N 0 0 432.329 4.307 50 0 IIAARN CCc1ccc([C@@H](NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2cccc(F)c2)cc1 ZINC000026666290 568905915 /nfs/dbraw/zinc/90/59/15/568905915.db2.gz CLPIONGSWZMWMB-JOCHJYFZSA-N 0 0 432.417 4.474 50 0 IIAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000001792156 568908021 /nfs/dbraw/zinc/90/80/21/568908021.db2.gz OWBKGCVVDYCSIL-INIZCTEOSA-N 0 0 445.504 4.472 50 0 IIAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000239432822 568911492 /nfs/dbraw/zinc/91/14/92/568911492.db2.gz WOETXSICZKRVLL-YPAWHYETSA-N 0 0 434.879 4.400 50 0 IIAARN C[C@H](NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000239439329 568911627 /nfs/dbraw/zinc/91/16/27/568911627.db2.gz ZTVHNYJQXSQFLL-LPHOPBHVSA-N 0 0 437.565 4.472 50 0 IIAARN COc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2cccc4ccccc42)CC3)c1 ZINC000016531319 568920610 /nfs/dbraw/zinc/92/06/10/568920610.db2.gz QWUROZMIUDKKFA-UHFFFAOYSA-N 0 0 440.503 4.113 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@@H](c3c(F)cccc3F)N(C)C)n2)cc1OC ZINC000089313941 568920766 /nfs/dbraw/zinc/92/07/66/568920766.db2.gz XCJQIJNGBVCVMT-LJQANCHMSA-N 0 0 433.480 4.347 50 0 IIAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000035778256 568922311 /nfs/dbraw/zinc/92/23/11/568922311.db2.gz PFYIPLUAUMJDDX-UHFFFAOYSA-N 0 0 442.519 4.449 50 0 IIAARN O=C1CN(Cc2ccc(F)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002148911 568925242 /nfs/dbraw/zinc/92/52/42/568925242.db2.gz VCRPYPNQPXHNLP-JYFHCDHNSA-N 0 0 439.490 4.192 50 0 biogenic IIAARN O=[N+]([O-])c1ccccc1C=NN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCCCC2)n1 ZINC000252630539 568926295 /nfs/dbraw/zinc/92/62/95/568926295.db2.gz VBVPQGPZGLEJNH-UHFFFAOYSA-N 0 0 436.451 4.099 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1)OCc1ccccc1 ZINC000008740023 568927031 /nfs/dbraw/zinc/92/70/31/568927031.db2.gz GZYMTIWFYVKRSQ-QFIPXVFZSA-N 0 0 443.455 4.236 50 0 biogenic IIAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)Nc1ccc(F)cc1 ZINC000064438483 568928211 /nfs/dbraw/zinc/92/82/11/568928211.db2.gz JLTRBIIIDNIRDV-UHFFFAOYSA-N 0 0 445.494 4.160 50 0 IIAARN Cc1ccc(NC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000064438504 568928297 /nfs/dbraw/zinc/92/82/97/568928297.db2.gz WHJFDTDNLACYHY-UHFFFAOYSA-N 0 0 441.531 4.329 50 0 IIAARN Cc1cccc(-c2nc3sc(N4CCN(C(=O)C(C)C)CC4)nn3c2NC(C)(C)C)c1 ZINC000064450894 568928788 /nfs/dbraw/zinc/92/87/88/568928788.db2.gz YQQUPVZRDARYMS-UHFFFAOYSA-N 0 0 440.617 4.281 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000064450059 568929077 /nfs/dbraw/zinc/92/90/77/568929077.db2.gz FIHSIQMNNQCXJQ-UHFFFAOYSA-N 0 0 443.507 4.018 50 0 IIAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000016650295 568929383 /nfs/dbraw/zinc/92/93/83/568929383.db2.gz XFAPLBMTPMKMKW-UHFFFAOYSA-N 0 0 438.499 4.045 50 0 IIAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c1 ZINC000035946381 568932651 /nfs/dbraw/zinc/93/26/51/568932651.db2.gz YHCWMPPZXYEBBI-UHFFFAOYSA-N 0 0 438.503 4.469 50 0 IIAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)c(C)c1 ZINC000064566110 568932861 /nfs/dbraw/zinc/93/28/61/568932861.db2.gz LTGRBTFFEDXXLS-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN Cc1ccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)cc1C ZINC000064566549 568933524 /nfs/dbraw/zinc/93/35/24/568933524.db2.gz QIOMHFPDWRHITL-UHFFFAOYSA-N 0 0 446.486 4.483 50 0 IIAARN CCn1c2cc(NC(=O)NCc3cccc(F)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591154 568935470 /nfs/dbraw/zinc/93/54/70/568935470.db2.gz YYTWSIQFYUVYIF-UHFFFAOYSA-N 0 0 439.535 4.294 50 0 IIAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O ZINC000064604951 568939065 /nfs/dbraw/zinc/93/90/65/568939065.db2.gz OAZIRYGBUXWBOS-QHCPKHFHSA-N 0 0 432.524 4.384 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000064605335 568939436 /nfs/dbraw/zinc/93/94/36/568939436.db2.gz TYVRHRLANLCSFS-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)Nc1ccc(F)cc1Cl ZINC000064611376 568940266 /nfs/dbraw/zinc/94/02/66/568940266.db2.gz ZVNBLPBPONSDTD-JOCHJYFZSA-N 0 0 429.923 4.030 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000064656956 568942290 /nfs/dbraw/zinc/94/22/90/568942290.db2.gz YUGHDNNROALZGI-CQSZACIVSA-N 0 0 435.473 4.342 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cc(F)ccc2F)cc1 ZINC000064656904 568942311 /nfs/dbraw/zinc/94/23/11/568942311.db2.gz UXEQKUFEFXMDOB-OAHLLOKOSA-N 0 0 435.473 4.342 50 0 IIAARN CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(CC)cc3)c2NC(C)(C)C)s1 ZINC000064703740 568944502 /nfs/dbraw/zinc/94/45/02/568944502.db2.gz BNWMPRRDZKVHFR-UHFFFAOYSA-N 0 0 428.606 4.193 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072451 568946065 /nfs/dbraw/zinc/94/60/65/568946065.db2.gz ZCUHATBGPKYOSA-NRFANRHFSA-N 0 0 441.478 4.064 50 0 IIAARN COc1ccccc1CN(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)[C@@H](C)c1ccccc1 ZINC000036083124 568947063 /nfs/dbraw/zinc/94/70/63/568947063.db2.gz SRJVSFDZCNMEMW-UGKGYDQZSA-N 0 0 449.551 4.355 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083490 568947224 /nfs/dbraw/zinc/94/72/24/568947224.db2.gz KBWBDIDYEZRGEV-NRFANRHFSA-N 0 0 442.537 4.009 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083496 568947254 /nfs/dbraw/zinc/94/72/54/568947254.db2.gz OMYFOOXZPLZCNV-QHCPKHFHSA-N 0 0 438.524 4.213 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083905 568947625 /nfs/dbraw/zinc/94/76/25/568947625.db2.gz PZRFXOIGWFCNGM-HSZRJFAPSA-N 0 0 438.524 4.213 50 0 IIAARN COc1cccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746945 568950265 /nfs/dbraw/zinc/95/02/65/568950265.db2.gz RDRMLIDBLIAPTL-UHFFFAOYSA-N 0 0 442.500 4.321 50 0 IIAARN CC(C)S(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000064747868 568950657 /nfs/dbraw/zinc/95/06/57/568950657.db2.gz WVIIPHXMCNMNSN-UHFFFAOYSA-N 0 0 439.356 4.493 50 0 IIAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3F)C(=O)CC(C)C)C2)cc1OC ZINC000006696462 568952731 /nfs/dbraw/zinc/95/27/31/568952731.db2.gz KJTDJBKJWGEMEZ-LJQANCHMSA-N 0 0 428.504 4.411 50 0 IIAARN COc1cccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103761 568952836 /nfs/dbraw/zinc/95/28/36/568952836.db2.gz OCBWJBXRKQUSAA-DEOSSOPVSA-N 0 0 439.527 4.423 50 0 IIAARN COCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114659 568955271 /nfs/dbraw/zinc/95/52/71/568955271.db2.gz MUIRKLZWJSACRC-UHFFFAOYSA-N 0 0 440.521 4.048 50 0 IIAARN COc1cccc(-c2csc3ncc(C(=O)NCc4ccc(Cl)cc4)c(=O)n23)c1 ZINC000064787910 568956295 /nfs/dbraw/zinc/95/62/95/568956295.db2.gz XYOQHTHXOKFSQN-UHFFFAOYSA-N 0 0 425.897 4.015 50 0 IIAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(Cl)c4)c(=O)n23)c1 ZINC000064788057 568956461 /nfs/dbraw/zinc/95/64/61/568956461.db2.gz RXROJDRQPDBPNX-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)[C@@H](C)CC ZINC000036120412 568957528 /nfs/dbraw/zinc/95/75/28/568957528.db2.gz YEMMKCRWRQJHAR-QFBILLFUSA-N 0 0 432.561 4.429 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)CC1CC1 ZINC000036120668 568957805 /nfs/dbraw/zinc/95/78/05/568957805.db2.gz DUOKZTCIPUIAMF-HXUWFJFHSA-N 0 0 444.572 4.287 50 0 IIAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CC1)C(C)C ZINC000036121899 568958007 /nfs/dbraw/zinc/95/80/07/568958007.db2.gz QUXVVBKKNBUTGX-FQEVSTJZSA-N 0 0 426.582 4.208 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1 ZINC000036122843 568958346 /nfs/dbraw/zinc/95/83/46/568958346.db2.gz MJHWKJVPMAUTOP-OAQYLSRUSA-N 0 0 441.597 4.145 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121520 568958393 /nfs/dbraw/zinc/95/83/93/568958393.db2.gz RRTHOSMEQRXDJH-HXUWFJFHSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000036122727 568958399 /nfs/dbraw/zinc/95/83/99/568958399.db2.gz YTSHHUXEUGRBRD-OAQYLSRUSA-N 0 0 441.597 4.083 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)(C)C ZINC000036122865 568958475 /nfs/dbraw/zinc/95/84/75/568958475.db2.gz HDFSGJPZLSEUEC-HXUWFJFHSA-N 0 0 443.613 4.391 50 0 IIAARN CCCc1cc(Nc2cccc(C(=O)N[C@@H](C)CC)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791756 568959077 /nfs/dbraw/zinc/95/90/77/568959077.db2.gz HWLVYRDXAXNQJQ-INIZCTEOSA-N 0 0 429.528 4.411 50 0 IIAARN CCCc1cc(Nc2cccc(C(=O)N[C@H](C)CC)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791758 568959086 /nfs/dbraw/zinc/95/90/86/568959086.db2.gz HWLVYRDXAXNQJQ-MRXNPFEDSA-N 0 0 429.528 4.411 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000064792649 568959387 /nfs/dbraw/zinc/95/93/87/568959387.db2.gz VNDRFUUZVUUJPQ-QFIPXVFZSA-N 0 0 444.445 4.041 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000064792714 568959455 /nfs/dbraw/zinc/95/94/55/568959455.db2.gz BSAGUBRWLSURNZ-HSZRJFAPSA-N 0 0 440.482 4.210 50 0 IIAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(C)c3)c3nnnn32)cc1 ZINC000064793103 568959506 /nfs/dbraw/zinc/95/95/06/568959506.db2.gz UVVMUPVXQNMYQB-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)Nc1ccccc1 ZINC000064792888 568959555 /nfs/dbraw/zinc/95/95/55/568959555.db2.gz KERFQKZZVFITIT-QFIPXVFZSA-N 0 0 442.910 4.416 50 0 IIAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)Nc1ccccc1 ZINC000064793593 568959727 /nfs/dbraw/zinc/95/97/27/568959727.db2.gz IKJWZHUOYPGSCV-JOCHJYFZSA-N 0 0 442.910 4.416 50 0 IIAARN C[C@@H]1CCCCN1C(=O)CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000064793544 568959773 /nfs/dbraw/zinc/95/97/73/568959773.db2.gz KOAJOQIYCMUOBY-VGOFRKELSA-N 0 0 448.958 4.178 50 0 IIAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064798611 568960568 /nfs/dbraw/zinc/96/05/68/568960568.db2.gz HMHCRNODAFZSRB-QGZVFWFLSA-N 0 0 443.546 4.381 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)C(C)(C)C)c1 ZINC000006712885 568960748 /nfs/dbraw/zinc/96/07/48/568960748.db2.gz ZEUJBDUPMNDWNU-UHFFFAOYSA-N 0 0 429.536 4.052 50 0 IIAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006713005 568960923 /nfs/dbraw/zinc/96/09/23/568960923.db2.gz ZBWWMGDSWIIFDK-SFHVURJKSA-N 0 0 425.573 4.473 50 0 IIAARN CCOc1ccc(C(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064799940 568961330 /nfs/dbraw/zinc/96/13/30/568961330.db2.gz FPAJTIZWCNCHFH-UHFFFAOYSA-N 0 0 431.540 4.198 50 0 IIAARN O[C@H](COc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147201 568962488 /nfs/dbraw/zinc/96/24/88/568962488.db2.gz VFTFPNGXZFRIJO-UKILVPOCSA-N 0 0 434.511 4.261 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815727 568963495 /nfs/dbraw/zinc/96/34/95/568963495.db2.gz VEVXCXQNXYINGR-RUZDIDTESA-N 0 0 448.592 4.394 50 0 IIAARN Cc1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1cc(C)cc(C)c1)C2=O ZINC000064816432 568965182 /nfs/dbraw/zinc/96/51/82/568965182.db2.gz ZYWGEYAAHQPBBM-DEOSSOPVSA-N 0 0 436.943 4.197 50 0 IIAARN O=C(NC1CCCCC1)c1ccc2c(c1)nc(N1CCCC1)n(Cc1ccccc1)c2=O ZINC000064819490 568966628 /nfs/dbraw/zinc/96/66/28/568966628.db2.gz USGWAWUKRBGGQH-UHFFFAOYSA-N 0 0 430.552 4.108 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(F)cc3)C2=O)c1 ZINC000036164601 568968031 /nfs/dbraw/zinc/96/80/31/568968031.db2.gz CAIZADJNUGFMHG-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN COc1cc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc(OC)c1OC ZINC000064837515 568969227 /nfs/dbraw/zinc/96/92/27/568969227.db2.gz RZSFEAOSODSMKZ-UHFFFAOYSA-N 0 0 432.498 4.093 50 0 IIAARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)CCc1nc(-c2cccs2)no1 ZINC000064840884 568969903 /nfs/dbraw/zinc/96/99/03/568969903.db2.gz KLUJKWMJLKXJJH-UHFFFAOYSA-N 0 0 443.916 4.135 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(C)c5C)CC4)nn3)n2)cc1 ZINC000064837946 568970142 /nfs/dbraw/zinc/97/01/42/568970142.db2.gz LNYPDTPVFSDFPG-UHFFFAOYSA-N 0 0 442.523 4.146 50 0 IIAARN COc1cccc(-c2nn([C@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3noc(C)c32)c1 ZINC000064842525 568970850 /nfs/dbraw/zinc/97/08/50/568970850.db2.gz CMWNREQWQOQDOB-OAHLLOKOSA-N 0 0 432.480 4.185 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842677 568970934 /nfs/dbraw/zinc/97/09/34/568970934.db2.gz CYZWAHWZIVWUKC-IBGZPJMESA-N 0 0 432.480 4.267 50 0 IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)N2 ZINC000064848200 568971548 /nfs/dbraw/zinc/97/15/48/568971548.db2.gz WSFFCEYZFCDABQ-UHFFFAOYSA-N 0 0 443.519 4.478 50 0 biogenic IIAARN Cc1nc2cc(C(=O)NCCc3ccccc3Cl)ccc2n(Cc2ccccc2)c1=O ZINC000064859544 568972489 /nfs/dbraw/zinc/97/24/89/568972489.db2.gz SQYJNQLNXOJMMC-UHFFFAOYSA-N 0 0 431.923 4.379 50 0 IIAARN COc1ccccc1-c1csc2[nH]c(CN(C[C@@H](O)c3ccccc3)C3CC3)nc(=O)c12 ZINC000036206561 568973157 /nfs/dbraw/zinc/97/31/57/568973157.db2.gz UHFKUCUKDDPMKF-HXUWFJFHSA-N 0 0 447.560 4.358 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862090 568973845 /nfs/dbraw/zinc/97/38/45/568973845.db2.gz KRTNYPUHMJYWCI-UHFFFAOYSA-N 0 0 427.570 4.307 50 0 IIAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867066 568974805 /nfs/dbraw/zinc/97/48/05/568974805.db2.gz KRCAXYPBBRMPSW-UHFFFAOYSA-N 0 0 428.510 4.078 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1C ZINC000064866982 568974819 /nfs/dbraw/zinc/97/48/19/568974819.db2.gz NXIUSOUPSQLNCB-UHFFFAOYSA-N 0 0 446.500 4.217 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3cccc(C)c3)c2)c1C ZINC000064867369 568975119 /nfs/dbraw/zinc/97/51/19/568975119.db2.gz PYYFKOJGJYCMNP-UHFFFAOYSA-N 0 0 426.538 4.055 50 0 IIAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869616 568976359 /nfs/dbraw/zinc/97/63/59/568976359.db2.gz OARMIUHKIAWNGB-AWEZNQCLSA-N 0 0 425.510 4.358 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c(OC)c1 ZINC000064872716 568978123 /nfs/dbraw/zinc/97/81/23/568978123.db2.gz RRNGAZZPSJBHLG-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN Cc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1 ZINC000064888174 568979401 /nfs/dbraw/zinc/97/94/01/568979401.db2.gz PBYNJIKQSSUOEG-UHFFFAOYSA-N 0 0 433.577 4.417 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cc(OC)cc(OC)c2)cc1 ZINC000036247073 568982164 /nfs/dbraw/zinc/98/21/64/568982164.db2.gz HDFICAZNRCYMNI-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN CCc1ccc(C(=O)N2CCN([C@@H](C(=O)N[C@@H](C)c3ccccc3)C3CCCC3)CC2)cc1 ZINC000036252308 568984042 /nfs/dbraw/zinc/98/40/42/568984042.db2.gz DWUYEQJGMLJNDQ-HFZDXXHNSA-N 0 0 447.623 4.443 50 0 IIAARN CCc1ccc(C(=O)N2CCN([C@@H](C(=O)N[C@H](C)c3ccccc3)C3CCCC3)CC2)cc1 ZINC000036252312 568984095 /nfs/dbraw/zinc/98/40/95/568984095.db2.gz DWUYEQJGMLJNDQ-QFQXNSOFSA-N 0 0 447.623 4.443 50 0 IIAARN O=C(NCC1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036255123 568985017 /nfs/dbraw/zinc/98/50/17/568985017.db2.gz WJQFBLULGYMPMP-HSZRJFAPSA-N 0 0 446.035 4.353 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1cc(F)ccc1F ZINC000064924810 568986418 /nfs/dbraw/zinc/98/64/18/568986418.db2.gz HKLUODJEWODFSL-UHFFFAOYSA-N 0 0 440.498 4.119 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1Cl ZINC000064927426 568987092 /nfs/dbraw/zinc/98/70/92/568987092.db2.gz QVMWLHARYVGZFH-UHFFFAOYSA-N 0 0 440.906 4.189 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927468 568987120 /nfs/dbraw/zinc/98/71/20/568987120.db2.gz JWGPRFDZTXCIBC-UHFFFAOYSA-N 0 0 444.869 4.019 50 0 IIAARN CN(CCCNC(=O)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)c1ccccc1 ZINC000064929067 568987232 /nfs/dbraw/zinc/98/72/32/568987232.db2.gz RPTCBLUBCRRLTD-OAQYLSRUSA-N 0 0 447.558 4.142 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)ccc2=O)cc1Cl ZINC000064928685 568987786 /nfs/dbraw/zinc/98/77/86/568987786.db2.gz OYBZXCUCODQGRO-GOSISDBHSA-N 0 0 436.943 4.358 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930536 568989045 /nfs/dbraw/zinc/98/90/45/568989045.db2.gz BRRZSEBESHLYEQ-GOSISDBHSA-N 0 0 439.516 4.285 50 0 IIAARN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000169681612 568992350 /nfs/dbraw/zinc/99/23/50/568992350.db2.gz ITRZNZBDOVUYSS-AEFFLSMTSA-N 0 0 426.529 4.220 50 0 IIAARN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169681776 568992588 /nfs/dbraw/zinc/99/25/88/568992588.db2.gz HMQRDMIKNIRUIM-UWJYYQICSA-N 0 0 435.465 4.237 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCCC3)sc21)Nc1cccc(C(F)(F)F)c1 ZINC000064944042 568993237 /nfs/dbraw/zinc/99/32/37/568993237.db2.gz JPOGWHRNNAQWSF-UHFFFAOYSA-N 0 0 439.488 4.436 50 0 IIAARN O=C(CSc1ncnc2nc(N3CCCC3)sc21)Nc1ccccc1C(F)(F)F ZINC000064944041 568993300 /nfs/dbraw/zinc/99/33/00/568993300.db2.gz AKDNCJNLAUJMIK-UHFFFAOYSA-N 0 0 439.488 4.436 50 0 IIAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303801 568994224 /nfs/dbraw/zinc/99/42/24/568994224.db2.gz JPCZBWIGXRBCEP-NRFANRHFSA-N 0 0 439.556 4.201 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)c(Br)c1 ZINC000064948894 568994819 /nfs/dbraw/zinc/99/48/19/568994819.db2.gz MDAOCPRNTOTEMF-UHFFFAOYSA-N 0 0 428.315 4.079 50 0 IIAARN COc1cc(Cl)c(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000064947311 568995094 /nfs/dbraw/zinc/99/50/94/568995094.db2.gz FRDNXZHANRQWHA-UHFFFAOYSA-N 0 0 439.896 4.100 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc21 ZINC000064952219 568996666 /nfs/dbraw/zinc/99/66/66/568996666.db2.gz RIDKDEYZPNMKMP-UHFFFAOYSA-N 0 0 441.372 4.099 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000036311047 568996891 /nfs/dbraw/zinc/99/68/91/568996891.db2.gz MQNJMSXZAPDKMA-HSZRJFAPSA-N 0 0 438.547 4.481 50 0 IIAARN Cc1ccc(NC(=O)N2CCN([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310798 568996903 /nfs/dbraw/zinc/99/69/03/568996903.db2.gz DNMYJZKMTWDWQR-NFBKMPQASA-N 0 0 426.605 4.104 50 0 IIAARN CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1cccs1 ZINC000036312123 568997621 /nfs/dbraw/zinc/99/76/21/568997621.db2.gz LWMDHWSWYLUELF-UHFFFAOYSA-N 0 0 442.560 4.345 50 0 IIAARN CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccccc1 ZINC000036312126 568997651 /nfs/dbraw/zinc/99/76/51/568997651.db2.gz BAMURUILVHLGDT-UHFFFAOYSA-N 0 0 436.531 4.283 50 0 IIAARN CCc1ccccc1S(=O)(=O)N1CCN(Cc2nc3cc(C(C)(C)C)ccc3o2)CC1 ZINC000064957214 568999430 /nfs/dbraw/zinc/99/94/30/568999430.db2.gz UKDVQRMKRXPZCY-UHFFFAOYSA-N 0 0 441.597 4.194 50 0 IIAARN COc1ccc(CNC(=O)C2CCN(c3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000064972005 569076710 /nfs/dbraw/zinc/07/67/10/569076710.db2.gz WHBWGNGWMNIINI-UHFFFAOYSA-N 0 0 434.540 4.401 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064972206 569076824 /nfs/dbraw/zinc/07/68/24/569076824.db2.gz LRCSZOMOZADWTF-XMMPIXPASA-N 0 0 434.561 4.366 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000064972252 569076876 /nfs/dbraw/zinc/07/68/76/569076876.db2.gz GMKRLNLLTJTZDC-OAQYLSRUSA-N 0 0 444.915 4.233 50 0 IIAARN CCc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C)c1 ZINC000064972380 569076930 /nfs/dbraw/zinc/07/69/30/569076930.db2.gz ORFWUCSHFZTPKP-XMMPIXPASA-N 0 0 434.561 4.312 50 0 IIAARN COc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000064976810 569077249 /nfs/dbraw/zinc/07/72/49/569077249.db2.gz RXGXYESSYUQPLQ-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)COc3ccc(C)cc3)cc2=O)s1 ZINC000064976882 569077372 /nfs/dbraw/zinc/07/73/72/569077372.db2.gz KRUVPRCFJONTDH-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3cccs3)ccc21 ZINC000064977031 569077376 /nfs/dbraw/zinc/07/73/76/569077376.db2.gz QUNIUWJYZNEUIS-UHFFFAOYSA-N 0 0 432.954 4.083 50 0 IIAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)cc1 ZINC000064977861 569077658 /nfs/dbraw/zinc/07/76/58/569077658.db2.gz JBGGBIOWZNKBOF-UHFFFAOYSA-N 0 0 444.878 4.256 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000064977503 569077686 /nfs/dbraw/zinc/07/76/86/569077686.db2.gz SHUPCVPXOQXSCA-UHFFFAOYSA-N 0 0 440.459 4.212 50 0 IIAARN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c(OC)c1 ZINC000064978293 569077819 /nfs/dbraw/zinc/07/78/19/569077819.db2.gz ZGKGPNGRWATZRK-UHFFFAOYSA-N 0 0 430.504 4.145 50 0 IIAARN CSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985399 569081968 /nfs/dbraw/zinc/08/19/68/569081968.db2.gz ZMUFZCMKFJNZJS-HXUWFJFHSA-N 0 0 440.546 4.004 50 0 IIAARN CCCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985618 569081973 /nfs/dbraw/zinc/08/19/73/569081973.db2.gz QJJXNGDJWBWPSU-QFIPXVFZSA-N 0 0 444.597 4.247 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccc(C)cc32)cc1 ZINC000064985789 569082070 /nfs/dbraw/zinc/08/20/70/569082070.db2.gz VHLHGSCFHYVOSN-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3C)Oc3ccc(C)cc32)cc1 ZINC000064985790 569082074 /nfs/dbraw/zinc/08/20/74/569082074.db2.gz VHLHGSCFHYVOSN-QHCPKHFHSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3F)Oc3cc(C)ccc32)cc1 ZINC000064986020 569082080 /nfs/dbraw/zinc/08/20/80/569082080.db2.gz KKUZIGBJTQIBKT-JOCHJYFZSA-N 0 0 440.496 4.038 50 0 IIAARN O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985733 569082108 /nfs/dbraw/zinc/08/21/08/569082108.db2.gz HKUUOUSDJFWZBY-FQEVSTJZSA-N 0 0 446.887 4.074 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3cc(C)ccc32)cc1 ZINC000064985956 569082127 /nfs/dbraw/zinc/08/21/27/569082127.db2.gz MGXJRJDDVQBPRA-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN O=C1Nc2ccccc2Oc2cc(NC3CCCC3)c(S(=O)(=O)N3CCCC3)cc21 ZINC000064986559 569082235 /nfs/dbraw/zinc/08/22/35/569082235.db2.gz 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O=C(NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000064991287 569083577 /nfs/dbraw/zinc/08/35/77/569083577.db2.gz BPEJLTQMSOCLKI-UHFFFAOYSA-N 0 0 439.394 4.270 50 0 IIAARN O=C(Nc1ccc(F)cc1F)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988796 569083699 /nfs/dbraw/zinc/08/36/99/569083699.db2.gz RPIGSNAMZLKPAG-UHFFFAOYSA-N 0 0 432.446 4.038 50 0 IIAARN CC(C)CNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006835260 569084618 /nfs/dbraw/zinc/08/46/18/569084618.db2.gz NPLUPUVWWYFOHO-BPVAQJAMSA-N 0 0 426.479 4.225 50 0 IIAARN O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCN(c2ccccn2)CC1 ZINC000036357598 569085178 /nfs/dbraw/zinc/08/51/78/569085178.db2.gz YINOLNIOPTVJHB-UHFFFAOYSA-N 0 0 447.413 4.115 50 0 IIAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(F)cc4Cl)c3=O)n2)cc1 ZINC000064998732 569085490 /nfs/dbraw/zinc/08/54/90/569085490.db2.gz CXORBFPYVCYYFT-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)c(Cl)c3)no2)c1=O ZINC000064998987 569085642 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440.544 4.378 50 0 IIAARN COc1ccc2oc(-c3noc(C(=O)NCc4cccc(Br)c4)n3)c(C)c2c1 ZINC000065010367 569088101 /nfs/dbraw/zinc/08/81/01/569088101.db2.gz WLHAOFFUALEWOA-UHFFFAOYSA-N 0 0 442.269 4.492 50 0 IIAARN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036370454 569088694 /nfs/dbraw/zinc/08/86/94/569088694.db2.gz SRKGKCBQIXHYPJ-NJSLBKSFSA-N 0 0 430.574 4.143 50 0 IIAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc21 ZINC000065020980 569088718 /nfs/dbraw/zinc/08/87/18/569088718.db2.gz BEFPTFXHAOTVOW-UHFFFAOYSA-N 0 0 434.989 4.141 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(C)=O)cc2)c1OC ZINC000065027008 569090137 /nfs/dbraw/zinc/09/01/37/569090137.db2.gz BXCJROZFLDJOIA-UHFFFAOYSA-N 0 0 430.504 4.210 50 0 IIAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)ccc21 ZINC000065026952 569090167 /nfs/dbraw/zinc/09/01/67/569090167.db2.gz FIQASOMCPGXGDW-UHFFFAOYSA-N 0 0 425.532 4.225 50 0 IIAARN CC(C)CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 ZINC000065027082 569090170 /nfs/dbraw/zinc/09/01/70/569090170.db2.gz AROPQCHKKHVZEV-UHFFFAOYSA-N 0 0 425.460 4.421 50 0 IIAARN CCc1cccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)c1 ZINC000065025863 569090840 /nfs/dbraw/zinc/09/08/40/569090840.db2.gz FEHJITBQPGYQAG-UHFFFAOYSA-N 0 0 433.581 4.096 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccc(F)c(Cl)c3)CCCCC2)cc1 ZINC000065029488 569091056 /nfs/dbraw/zinc/09/10/56/569091056.db2.gz OPEQLDVLWMHGAH-UHFFFAOYSA-N 0 0 438.952 4.369 50 0 IIAARN COc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)c4ccccc4)ccc3n2)cc1 ZINC000065034047 569091891 /nfs/dbraw/zinc/09/18/91/569091891.db2.gz HHAVDDVRBJKFOU-UHFFFAOYSA-N 0 0 427.460 4.027 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3cccc3-c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000065035621 569092268 /nfs/dbraw/zinc/09/22/68/569092268.db2.gz VRMFKBLIMXMRMH-UHFFFAOYSA-N 0 0 441.535 4.171 50 0 IIAARN O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccccc1Br ZINC000169753293 569093070 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ZINC000065063611 569098105 /nfs/dbraw/zinc/09/81/05/569098105.db2.gz FIUYPJLOGBHQDC-OAHLLOKOSA-N 0 0 443.500 4.342 50 0 IIAARN CCOc1cc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3C)C4)n2)ccc1OC ZINC000169769956 569098175 /nfs/dbraw/zinc/09/81/75/569098175.db2.gz PXYHJWFLOMOCOR-OAQYLSRUSA-N 0 0 447.495 4.291 50 0 IIAARN COC(=O)c1cn(C)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C(=O)OC ZINC000036393594 569098514 /nfs/dbraw/zinc/09/85/14/569098514.db2.gz GTTVGAZKVMFOOX-UHFFFAOYSA-N 0 0 426.856 4.171 50 0 IIAARN CCc1ccc(-c2nc(C)c(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000036394946 569098691 /nfs/dbraw/zinc/09/86/91/569098691.db2.gz JTUMFWVWPZIPRH-GOSISDBHSA-N 0 0 444.578 4.103 50 0 IIAARN O=C(CCn1nnc2cc(-c3noc(-c4ccccc4Cl)n3)ccc21)N1CCCCC1 ZINC000065076035 569099160 /nfs/dbraw/zinc/09/91/60/569099160.db2.gz QKBDEZZTGSVNFP-UHFFFAOYSA-N 0 0 436.903 4.204 50 0 IIAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(C)c1 ZINC000065075189 569099565 /nfs/dbraw/zinc/09/95/65/569099565.db2.gz 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Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000036874984 569138558 /nfs/dbraw/zinc/13/85/58/569138558.db2.gz COYCLLAPADZLTL-FQEVSTJZSA-N 0 0 449.576 4.346 50 0 IIAARN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@@H](O)c2ccccc2C(F)(F)F)C1=O ZINC000065550578 569139637 /nfs/dbraw/zinc/13/96/37/569139637.db2.gz LMCJKXDGMCBSHE-QAPCUYQASA-N 0 0 446.347 4.225 50 0 IIAARN Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(F)c(NC(=O)c4ccsc4)c3)C2)n1 ZINC000065593059 569140082 /nfs/dbraw/zinc/14/00/82/569140082.db2.gz XPOUHEQDMRXHSQ-ZDUSSCGKSA-N 0 0 429.477 4.242 50 0 IIAARN Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c(Cl)cc1Cl ZINC000239846374 569140085 /nfs/dbraw/zinc/14/00/85/569140085.db2.gz LCSHAOIITWCBJV-QGZVFWFLSA-N 0 0 432.350 4.171 50 0 IIAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000065609987 569140138 /nfs/dbraw/zinc/14/01/38/569140138.db2.gz JAJHXJBGYCOXNV-SNVBAGLBSA-N 0 0 435.286 4.006 50 0 IIAARN COc1ccc(Br)c(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1 ZINC000240002263 569140381 /nfs/dbraw/zinc/14/03/81/569140381.db2.gz PQNABTNNQJTICA-SFHVURJKSA-N 0 0 438.368 4.247 50 0 IIAARN C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)C[C@H](C)O1 ZINC000170593802 569141289 /nfs/dbraw/zinc/14/12/89/569141289.db2.gz JOLIOOOZELLFCN-IRXDYDNUSA-N 0 0 426.582 4.196 50 0 IIAARN CC(C)c1c(C(=O)NCC2(c3ccccn3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000170594460 569141410 /nfs/dbraw/zinc/14/14/10/569141410.db2.gz IETQDWXVXUGGRK-UHFFFAOYSA-N 0 0 429.446 4.266 50 0 IIAARN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000170601093 569142938 /nfs/dbraw/zinc/14/29/38/569142938.db2.gz OLNHHSPFKGPZEL-LFPRZYRFSA-N 0 0 425.978 4.002 50 0 IIAARN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000170602353 569143302 /nfs/dbraw/zinc/14/33/02/569143302.db2.gz FJMHVUCZMILWDE-KBMXLJTQSA-N 0 0 428.451 4.157 50 0 IIAARN CCOC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc21 ZINC000170602922 569143456 /nfs/dbraw/zinc/14/34/56/569143456.db2.gz XPXLXJJIRJJHFJ-KSSFIOAISA-N 0 0 432.314 4.300 50 0 IIAARN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@](C)(C(N)=O)c3ccccc3)cc12 ZINC000170607340 569144155 /nfs/dbraw/zinc/14/41/55/569144155.db2.gz JUWJHOXDMKYQBJ-JOCHJYFZSA-N 0 0 438.940 4.179 50 0 IIAARN O=C(Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1noc2c1CCCC2 ZINC000170608480 569144911 /nfs/dbraw/zinc/14/49/11/569144911.db2.gz HBBNMEHWCCYZNB-UHFFFAOYSA-N 0 0 441.285 4.216 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2cccc(Cl)c2)c1=O ZINC000037279755 569145688 /nfs/dbraw/zinc/14/56/88/569145688.db2.gz IWHJGACIYRLYNQ-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN Cc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1cccc(Cl)c1 ZINC000037279763 569145718 /nfs/dbraw/zinc/14/57/18/569145718.db2.gz UHYTXLNISLBILH-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN COC(=O)c1c(Br)cc(Br)c(NC(=O)[C@@H](C)OCC2CC2)c1C ZINC000170617631 569146909 /nfs/dbraw/zinc/14/69/09/569146909.db2.gz DKQOVNPLWGXGEB-SECBINFHSA-N 0 0 449.139 4.060 50 0 IIAARN O=S(=O)(c1cccc(F)c1)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000170618922 569147520 /nfs/dbraw/zinc/14/75/20/569147520.db2.gz WIXMMMSHADGXRA-OAQYLSRUSA-N 0 0 438.509 4.370 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3oc(C(C)(C)C)nc3c1)C[C@H]2O ZINC000170630689 569148767 /nfs/dbraw/zinc/14/87/67/569148767.db2.gz DISVGECGFDYZOR-MRXNPFEDSA-N 0 0 425.485 4.224 50 0 IIAARN Cc1c(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)cnn1-c1ccccc1C ZINC000170629764 569148896 /nfs/dbraw/zinc/14/88/96/569148896.db2.gz GOMSWZLZHVHJLQ-ZDUSSCGKSA-N 0 0 440.301 4.441 50 0 IIAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)cc2s1 ZINC000010220611 569152937 /nfs/dbraw/zinc/15/29/37/569152937.db2.gz PDOQJHFCMZCHQF-UHFFFAOYSA-N 0 0 429.567 4.420 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217320 569153229 /nfs/dbraw/zinc/15/32/29/569153229.db2.gz YCBLVAVPKHSKNW-UHFFFAOYSA-N 0 0 437.546 4.369 50 0 IIAARN CCn1c(C)cc(O)c(C(c2ccc(C(C)C)cc2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217756 569153366 /nfs/dbraw/zinc/15/33/66/569153366.db2.gz FDYQZGLLGHFWSC-UHFFFAOYSA-N 0 0 436.552 4.381 50 0 IIAARN Cc1nc2c(ccc3nc(NC(=O)CCCS(=O)(=O)c4ccccc4)sc32)s1 ZINC000010218321 569153476 /nfs/dbraw/zinc/15/34/76/569153476.db2.gz SCHQSCWTDZSYER-UHFFFAOYSA-N 0 0 431.564 4.407 50 0 IIAARN CCc1cccc(NC(=O)Cn2nc3c4scc(-c5ccc(C)cc5)c4ncn3c2=O)c1 ZINC000013349922 569155256 /nfs/dbraw/zinc/15/52/56/569155256.db2.gz PXLYRGQFCWSQOJ-UHFFFAOYSA-N 0 0 443.532 4.282 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000013579755 569156293 /nfs/dbraw/zinc/15/62/93/569156293.db2.gz JGDYHKGHCJOGHW-NHCUHLMSSA-N 0 0 434.517 4.076 50 0 IIAARN COc1ccc(CN(C)Cn2nc(-c3ccc(Br)cc3)[nH]c2=S)cc1OC ZINC000014201238 569158093 /nfs/dbraw/zinc/15/80/93/569158093.db2.gz FUJHEPIKMYSOBN-UHFFFAOYSA-N 0 0 449.374 4.477 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 ZINC000014226567 569158139 /nfs/dbraw/zinc/15/81/39/569158139.db2.gz XTSJIDMYSURHOG-JOCHJYFZSA-N 0 0 446.503 4.335 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 ZINC000014226562 569158200 /nfs/dbraw/zinc/15/82/00/569158200.db2.gz XTSJIDMYSURHOG-QFIPXVFZSA-N 0 0 446.503 4.335 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1C ZINC000014267268 569158383 /nfs/dbraw/zinc/15/83/83/569158383.db2.gz NGNKYSIFYGOQLS-HFJWLAOPSA-N 0 0 429.520 4.101 50 0 IIAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000014370951 569158810 /nfs/dbraw/zinc/15/88/10/569158810.db2.gz XVPJPOJIAGDKBX-UHFFFAOYSA-N 0 0 435.574 4.466 50 0 IIAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc21 ZINC000014633298 569159794 /nfs/dbraw/zinc/15/97/94/569159794.db2.gz MNFQFNZLZKAPMA-UHFFFAOYSA-N 0 0 449.504 4.053 50 0 IIAARN Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(Cl)ccc3O)[C@@H](c3ccco3)C2)cc1 ZINC000089632105 569160222 /nfs/dbraw/zinc/16/02/22/569160222.db2.gz LSMDQFDIGSENSH-LJQANCHMSA-N 0 0 438.867 4.482 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC000089639161 569160262 /nfs/dbraw/zinc/16/02/62/569160262.db2.gz WBVLOWICTGYUET-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2C)cc1 ZINC000089651324 569160648 /nfs/dbraw/zinc/16/06/48/569160648.db2.gz MEVXSDJNPANASU-UHFFFAOYSA-N 0 0 432.448 4.335 50 0 IIAARN O=C(COc1cccc(Br)c1)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000089774435 569162679 /nfs/dbraw/zinc/16/26/79/569162679.db2.gz QJTHYBQARSVWBY-WBVHZDCISA-N 0 0 444.247 4.181 50 0 IIAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000089787963 569163235 /nfs/dbraw/zinc/16/32/35/569163235.db2.gz YKRTUOGKDQLQKJ-IBGZPJMESA-N 0 0 427.913 4.245 50 0 IIAARN O=C1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@H]2N1C1CC1 ZINC000089794110 569164057 /nfs/dbraw/zinc/16/40/57/569164057.db2.gz FAZWXZXFKPXWFS-VQIMIIECSA-N 0 0 445.592 4.222 50 0 IIAARN O=C(OCc1ccccc1)N1CC(Sc2nnc(-c3ccncc3)n2CC(F)(F)F)C1 ZINC000089836607 569165366 /nfs/dbraw/zinc/16/53/66/569165366.db2.gz VEEPZYSEDOXWRF-UHFFFAOYSA-N 0 0 449.458 4.016 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000016890558 569165419 /nfs/dbraw/zinc/16/54/19/569165419.db2.gz HEUJNJYCBUJOST-UHFFFAOYSA-N 0 0 428.901 4.188 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000016890494 569165427 /nfs/dbraw/zinc/16/54/27/569165427.db2.gz ZTZCGBPWUVCUQR-UHFFFAOYSA-N 0 0 449.532 4.039 50 0 IIAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000089851149 569166251 /nfs/dbraw/zinc/16/62/51/569166251.db2.gz JPKUUPKJBGNOQU-GOSISDBHSA-N 0 0 444.466 4.251 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000016944719 569166917 /nfs/dbraw/zinc/16/69/17/569166917.db2.gz QCEDLXXJTKSUDY-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN CCN1C[C@@H](CN(C)C(=O)c2ccc(OCc3c(C)noc3C)cc2)Oc2ccccc21 ZINC000089977168 569169376 /nfs/dbraw/zinc/16/93/76/569169376.db2.gz BBNDWPMAEHHWES-OAQYLSRUSA-N 0 0 435.524 4.230 50 0 IIAARN COCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)oc1C ZINC000016991594 569169590 /nfs/dbraw/zinc/16/95/90/569169590.db2.gz DALNBLIYYKPITP-UHFFFAOYSA-N 0 0 437.521 4.307 50 0 IIAARN CCOC(=O)Cn1nc(C(C)(C)C)cc1NC(=O)c1sc2cccc(F)c2c1COC ZINC000089984715 569169955 /nfs/dbraw/zinc/16/99/55/569169955.db2.gz XXBLPLDUVABHDS-UHFFFAOYSA-N 0 0 447.532 4.496 50 0 IIAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000037355794 569170985 /nfs/dbraw/zinc/17/09/85/569170985.db2.gz QRYIUWOKNTWICJ-INIZCTEOSA-N 0 0 440.906 4.341 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4OC)ncn3)CC2)cc1 ZINC000037356151 569171759 /nfs/dbraw/zinc/17/17/59/569171759.db2.gz WZPJBSLLOKLJJD-UHFFFAOYSA-N 0 0 432.524 4.111 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)COc4ccccc4)ccc32)cc1 ZINC000017050695 569171823 /nfs/dbraw/zinc/17/18/23/569171823.db2.gz NNUFAIMDBAFRIX-UHFFFAOYSA-N 0 0 436.533 4.154 50 0 IIAARN Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000017136051 569174473 /nfs/dbraw/zinc/17/44/73/569174473.db2.gz SBFFLFVJUHDHED-NRFANRHFSA-N 0 0 447.553 4.214 50 0 IIAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1ccccc1Cl ZINC000001117695 569176730 /nfs/dbraw/zinc/17/67/30/569176730.db2.gz BIGGIRIBVIBFQY-UHFFFAOYSA-N 0 0 437.810 4.319 50 0 IIAARN COC(=O)Cc1c(C)c2ccc(OCc3cccc(Br)c3)c(C)c2oc1=O ZINC000002092317 569178827 /nfs/dbraw/zinc/17/88/27/569178827.db2.gz JFPZWVRSCSBYMN-UHFFFAOYSA-N 0 0 431.282 4.467 50 0 biogenic IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)CNC(=O)OC(C)(C)C)ccc23)cc1 ZINC000002096190 569179175 /nfs/dbraw/zinc/17/91/75/569179175.db2.gz RMJBJXCBKMNCLN-UHFFFAOYSA-N 0 0 439.464 4.207 50 0 biogenic IIAARN CCCc1cc2c3c(c(=O)oc2cc1OC(=O)CCNC(=O)OCc1ccccc1)CCC3 ZINC000002116381 569182496 /nfs/dbraw/zinc/18/24/96/569182496.db2.gz GXFYJBVSUIHDDQ-UHFFFAOYSA-N 0 0 449.503 4.456 50 0 biogenic IIAARN CC1CCC(N2CC(=O)N3[C@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)CC1 ZINC000002118351 569182536 /nfs/dbraw/zinc/18/25/36/569182536.db2.gz JHDQKLRJRXEJRB-ADLOGITCSA-N 0 0 427.548 4.432 50 0 biogenic IIAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 ZINC000002122196 569183545 /nfs/dbraw/zinc/18/35/45/569183545.db2.gz MQJHADRBSZGPLJ-IGKIAQTJSA-N 0 0 435.527 4.361 50 0 biogenic IIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000252474475 569185631 /nfs/dbraw/zinc/18/56/31/569185631.db2.gz FTPJZAFZHLJCHA-QPTUXGOLSA-N 0 0 440.609 4.272 50 0 IIAARN Cc1cc(C)n(-c2ccc(SCc3nnc(SCCOc4ccccc4)o3)nn2)n1 ZINC000524733897 569188716 /nfs/dbraw/zinc/18/87/16/569188716.db2.gz ALOOBWHRZHYWFK-UHFFFAOYSA-N 0 0 440.554 4.126 50 0 IIAARN CC(C)[C@H](CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000252539701 569190215 /nfs/dbraw/zinc/19/02/15/569190215.db2.gz OKDLONHGQVOZQL-FXAWDEMLSA-N 0 0 427.932 4.376 50 0 IIAARN C[C@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCOc5ccccc54)nc(N)c32)C1 ZINC000027314931 569190266 /nfs/dbraw/zinc/19/02/66/569190266.db2.gz DOIGQTMHSXKXPL-WFASDCNBSA-N 0 0 440.594 4.130 50 0 IIAARN O=S(=O)(NCCNc1nc(-c2cccs2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000037382316 569191852 /nfs/dbraw/zinc/19/18/52/569191852.db2.gz FASFPYWGDNOXOG-UHFFFAOYSA-N 0 0 444.969 4.402 50 0 IIAARN COCCNC(=O)CCN(Cc1ccco1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384360 569192143 /nfs/dbraw/zinc/19/21/43/569192143.db2.gz FSSZWIBEEVEVIM-UHFFFAOYSA-N 0 0 436.537 4.111 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2c(C)c(CC)c(C)n2Cc2cccc(OC)c2)CC1 ZINC000037397004 569193188 /nfs/dbraw/zinc/19/31/88/569193188.db2.gz AYTSETDWLWZURY-UHFFFAOYSA-N 0 0 426.557 4.140 50 0 IIAARN COc1cccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000037399810 569194743 /nfs/dbraw/zinc/19/47/43/569194743.db2.gz BZQJXPPKXVCCJT-UHFFFAOYSA-N 0 0 440.613 4.460 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)C(C)C)cc2)cc1 ZINC000037400289 569194954 /nfs/dbraw/zinc/19/49/54/569194954.db2.gz HNZKHABXFWLKKQ-UHFFFAOYSA-N 0 0 446.569 4.053 50 0 IIAARN CCCNC(=O)CCN(C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C1CC1 ZINC000037426697 569195776 /nfs/dbraw/zinc/19/57/76/569195776.db2.gz WYIKHEMLTLJCSC-UHFFFAOYSA-N 0 0 440.491 4.426 50 0 IIAARN CC(C)CNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1 ZINC000037427187 569195898 /nfs/dbraw/zinc/19/58/98/569195898.db2.gz NCLUGMDVAXKFAN-UHFFFAOYSA-N 0 0 444.532 4.424 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1 ZINC000037524296 569198605 /nfs/dbraw/zinc/19/86/05/569198605.db2.gz RXHVAJWEQVZUBE-UHFFFAOYSA-N 0 0 433.577 4.419 50 0 IIAARN O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524500 569198729 /nfs/dbraw/zinc/19/87/29/569198729.db2.gz GFIHPOGTMXBEDV-UHFFFAOYSA-N 0 0 437.927 4.262 50 0 IIAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCc3ccccc3C2)CC1)c1cccs1 ZINC000037524915 569198848 /nfs/dbraw/zinc/19/88/48/569198848.db2.gz XUSGSWRBOXEQTL-UHFFFAOYSA-N 0 0 445.588 4.345 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037547640 569200288 /nfs/dbraw/zinc/20/02/88/569200288.db2.gz LKBLKVJFESUHQE-DNQXCXABSA-N 0 0 438.549 4.227 50 0 IIAARN COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cc3c(c(OC)c2OC)OCO3)cc1 ZINC000066089834 569205792 /nfs/dbraw/zinc/20/57/92/569205792.db2.gz LQRGOADNBBFLIZ-CQSZACIVSA-N 0 0 440.477 4.039 50 0 IIAARN OCCCn1c(-c2ccc(I)cc2)csc1=Nc1ccccc1 ZINC000252669772 569209840 /nfs/dbraw/zinc/20/98/40/569209840.db2.gz IQPWCKNOAGHAGZ-UHFFFAOYSA-N 0 0 436.318 4.436 50 0 IIAARN O=c1c(=Cc2ccccc2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252673991 569210159 /nfs/dbraw/zinc/21/01/59/569210159.db2.gz RSRANSZACLZMEK-QHCPKHFHSA-N 0 0 442.565 4.086 50 0 IIAARN CC(C)[C@@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000002231038 569210446 /nfs/dbraw/zinc/21/04/46/569210446.db2.gz ZXXXLBCRFYHALH-SFHVURJKSA-N 0 0 431.521 4.211 50 0 IIAARN CCC[C@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000002970284 569212910 /nfs/dbraw/zinc/21/29/10/569212910.db2.gz GWQSNMYENQEGGH-INIZCTEOSA-N 0 0 448.342 4.139 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002249620 569214801 /nfs/dbraw/zinc/21/48/01/569214801.db2.gz QJUCKFOPAKMTNS-GOEBONIOSA-N 0 0 443.352 4.222 50 0 IIAARN CCCCCN(C(=O)NC(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccccc1 ZINC000027496076 569215663 /nfs/dbraw/zinc/21/56/63/569215663.db2.gz DFOTZBPOQUEWGD-UHFFFAOYSA-N 0 0 433.530 4.126 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000253390685 569264302 /nfs/dbraw/zinc/26/43/02/569264302.db2.gz ULDQDYDKZYTNAJ-JAXLGGSGSA-N 0 0 449.576 4.127 50 0 IIAARN CC[C@H]1CN(CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079514 569265019 /nfs/dbraw/zinc/26/50/19/569265019.db2.gz ZQHRMISFEYQSCR-ZGKFYVQTSA-N 0 0 437.565 4.108 50 0 IIAARN COc1ccc(NC(=O)[C@@](C)(O)c2ccccc2C(F)(F)F)cc1N1CCCCC1=O ZINC000253405750 569265356 /nfs/dbraw/zinc/26/53/56/569265356.db2.gz QEORRGLHVQXGRB-NRFANRHFSA-N 0 0 436.430 4.077 50 0 IIAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000027530985 569265576 /nfs/dbraw/zinc/26/55/76/569265576.db2.gz DHCAFHFNLKXXPS-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253414873 569266316 /nfs/dbraw/zinc/26/63/16/569266316.db2.gz YWEOECXWQZOAIP-OAQYLSRUSA-N 0 0 430.504 4.281 50 0 biogenic IIAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccccc1C(F)(F)F ZINC000002465386 569266426 /nfs/dbraw/zinc/26/64/26/569266426.db2.gz DCUVBTOPQMIJNB-UHFFFAOYSA-N 0 0 442.278 4.332 50 0 IIAARN O=C(Nc1cccc(N2CCNC2=O)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000253429293 569267627 /nfs/dbraw/zinc/26/76/27/569267627.db2.gz MQNZAGILVLPVOA-OAQYLSRUSA-N 0 0 430.512 4.365 50 0 IIAARN CC(=O)c1cc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)ccc1Br ZINC000253430421 569267664 /nfs/dbraw/zinc/26/76/64/569267664.db2.gz ZLXLQNPKYSIETE-UHFFFAOYSA-N 0 0 436.249 4.409 50 0 IIAARN COc1ccc2c(=O)/c(=C\c3cccc(I)c3)oc3cccc1c32 ZINC000027549170 569271870 /nfs/dbraw/zinc/27/18/70/569271870.db2.gz WZJZQPXNFQAMDV-WOJGMQOQSA-N 0 0 428.225 4.107 50 0 IIAARN CCN(CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000027564004 569272675 /nfs/dbraw/zinc/27/26/75/569272675.db2.gz DZTCOWJTHAGPTB-UHFFFAOYSA-N 0 0 427.332 4.178 50 0 IIAARN Cc1ccc2cc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)c(N3CCOCC3)nc2c1 ZINC000027572878 569273637 /nfs/dbraw/zinc/27/36/37/569273637.db2.gz HKTTUWUIXLPVJF-KGENOOAVSA-N 0 0 433.895 4.378 50 0 IIAARN COCCNC(=O)c1c(NC(=O)COc2cccc3ccccc32)sc2c1CCCC2 ZINC000002323688 569274274 /nfs/dbraw/zinc/27/42/74/569274274.db2.gz VNBNQALCRHHCFA-UHFFFAOYSA-N 0 0 438.549 4.174 50 0 IIAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)N[C@H](CC)c3cccs3)C2)no1 ZINC000225236183 569274690 /nfs/dbraw/zinc/27/46/90/569274690.db2.gz OZMDAFYPDRZWDA-DOTOQJQBSA-N 0 0 425.558 4.239 50 0 IIAARN CCCCc1nc2sc3c(nc(SC)nc3NCCOCCO)c2c2c1CCC2 ZINC000002332960 569274699 /nfs/dbraw/zinc/27/46/99/569274699.db2.gz HGPUCCZHTRRMHQ-UHFFFAOYSA-N 0 0 432.615 4.214 50 0 IIAARN CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c32)CS1 ZINC000002351864 569282830 /nfs/dbraw/zinc/28/28/30/569282830.db2.gz QCIPSKJMTOHBJA-UHFFFAOYSA-N 0 0 430.624 4.250 50 0 IIAARN O=C(Nc1nc(Cl)cc(Cl)n1)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl ZINC000002356376 569285970 /nfs/dbraw/zinc/28/59/70/569285970.db2.gz XFSBMOGQJDUADJ-UHFFFAOYSA-N 0 0 449.625 4.374 50 0 IIAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002376410 569289391 /nfs/dbraw/zinc/28/93/91/569289391.db2.gz MKXVZUYQDXTCNW-STZFKDTASA-N 0 0 429.476 4.084 50 0 IIAARN CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000002422424 569302157 /nfs/dbraw/zinc/30/21/57/569302157.db2.gz NEOIYXVIDPNKRZ-IWCLSRSZSA-N 0 0 448.357 4.026 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000002430580 569303326 /nfs/dbraw/zinc/30/33/26/569303326.db2.gz XYTFUQNKVPUKNP-DOMZBBRYSA-N 0 0 443.953 4.309 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1Cl ZINC000002452662 569305311 /nfs/dbraw/zinc/30/53/11/569305311.db2.gz SESJLOIIUZHZJT-UHFFFAOYSA-N 0 0 429.933 4.308 50 0 IIAARN COc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)c(OC)c1 ZINC000013016933 569307154 /nfs/dbraw/zinc/30/71/54/569307154.db2.gz OAMDIUNQRRTLFV-MQVJKMGUSA-N 0 0 436.595 4.432 50 0 IIAARN CC(=O)c1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)cc1 ZINC000013016920 569307158 /nfs/dbraw/zinc/30/71/58/569307158.db2.gz CLXBVGUGWMVGBV-AYHJJNSGSA-N 0 0 433.595 4.374 50 0 IIAARN COc1cc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc(OC)c1OC ZINC000013018927 569307267 /nfs/dbraw/zinc/30/72/67/569307267.db2.gz KEAQJRXNUCVTMV-SFSYZPTKSA-N 0 0 444.572 4.008 50 0 IIAARN CC(=O)c1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013095254 569309386 /nfs/dbraw/zinc/30/93/86/569309386.db2.gz FVBAFLQNMROERM-UHFFFAOYSA-N 0 0 448.972 4.141 50 0 IIAARN COc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c(OC)c1 ZINC000013112931 569310497 /nfs/dbraw/zinc/31/04/97/569310497.db2.gz BIUAHZLXKZFVEN-UHFFFAOYSA-N 0 0 426.519 4.395 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000013141147 569311811 /nfs/dbraw/zinc/31/18/11/569311811.db2.gz ZZMMIDYCODJSGU-UHFFFAOYSA-N 0 0 435.596 4.058 50 0 IIAARN Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1 ZINC000013354889 569313426 /nfs/dbraw/zinc/31/34/26/569313426.db2.gz JZBBUBFLMBBLCL-MRXNPFEDSA-N 0 0 429.592 4.012 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355273 569313565 /nfs/dbraw/zinc/31/35/65/569313565.db2.gz PLUFNMOTCMWXTK-UHFFFAOYSA-N 0 0 434.561 4.410 50 0 IIAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366332 569314343 /nfs/dbraw/zinc/31/43/43/569314343.db2.gz BOSZJEBAVYKUJA-NRFANRHFSA-N 0 0 446.528 4.312 50 0 IIAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)c4cccc(F)c4)c3)cc2=O)s1 ZINC000013368039 569314487 /nfs/dbraw/zinc/31/44/87/569314487.db2.gz BVNYZSAXPRNBLD-UHFFFAOYSA-N 0 0 438.484 4.245 50 0 IIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4ccc(C)cc4)c3)cc2=O)s1 ZINC000013368529 569314587 /nfs/dbraw/zinc/31/45/87/569314587.db2.gz LVGZAWZJVLAENM-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)c(OC)c1OC ZINC000013369608 569314876 /nfs/dbraw/zinc/31/48/76/569314876.db2.gz NVKIJNMRPDKIDC-UHFFFAOYSA-N 0 0 445.519 4.088 50 0 IIAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000007958483 569316382 /nfs/dbraw/zinc/31/63/82/569316382.db2.gz BXUMCTNNOFXGEV-UHFFFAOYSA-N 0 0 425.529 4.039 50 0 IIAARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000328591586 569317100 /nfs/dbraw/zinc/31/71/00/569317100.db2.gz ZLKGPEYBIRIWEP-AWEZNQCLSA-N 0 0 437.935 4.122 50 0 IIAARN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000078729429 569318739 /nfs/dbraw/zinc/31/87/39/569318739.db2.gz ZSOXGTKYRPZXBP-DLBZAZTESA-N 0 0 429.492 4.013 50 0 IIAARN CCN(CCNC(=O)c1ccc(NC(=O)N2CCCCC2)c(F)c1)c1ccccc1C ZINC000078869757 569319600 /nfs/dbraw/zinc/31/96/00/569319600.db2.gz IZAMXIIYQIGPRP-UHFFFAOYSA-N 0 0 426.536 4.408 50 0 IIAARN CCc1c(Cl)nc(-c2ccccc2)nc1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000078876181 569319731 /nfs/dbraw/zinc/31/97/31/569319731.db2.gz HBVSYCIAZXTATK-UHFFFAOYSA-N 0 0 431.945 4.254 50 0 IIAARN CC(C)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000078878604 569319849 /nfs/dbraw/zinc/31/98/49/569319849.db2.gz LPRXVIGFNZUGJL-UHFFFAOYSA-N 0 0 446.535 4.001 50 0 IIAARN COc1ccc(Br)c(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)c1 ZINC000078881637 569320016 /nfs/dbraw/zinc/32/00/16/569320016.db2.gz IZLXJDSRPFKDBD-UHFFFAOYSA-N 0 0 437.297 4.344 50 0 IIAARN C[C@@H]1COc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000078949805 569320427 /nfs/dbraw/zinc/32/04/27/569320427.db2.gz FDNGHOAOBMHAQN-MRXNPFEDSA-N 0 0 448.972 4.332 50 0 IIAARN COc1ccc([C@H](CNC(=O)CCc2nc([C@H](C)OC)no2)c2c[nH]c3ccccc32)cc1 ZINC000079018073 569322246 /nfs/dbraw/zinc/32/22/46/569322246.db2.gz DLKASEKYROMDRJ-JXFKEZNVSA-N 0 0 448.523 4.148 50 0 IIAARN CC[C@@](C)(CNC(=O)c1ccc(-c2cnco2)cc1)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000079056128 569323641 /nfs/dbraw/zinc/32/36/41/569323641.db2.gz MUHSFBKETJHJHM-VWLOTQADSA-N 0 0 444.491 4.325 50 0 IIAARN NC(=O)[C@H]1CCC[C@H]1Nc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063959 569324282 /nfs/dbraw/zinc/32/42/82/569324282.db2.gz IATODIXGVCSAKX-PKOBYXMFSA-N 0 0 435.597 4.410 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1Cn1cccn1 ZINC000079096439 569325356 /nfs/dbraw/zinc/32/53/56/569325356.db2.gz DVBWBXCZQVLTMV-SFHVURJKSA-N 0 0 435.524 4.179 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC000079102604 569325501 /nfs/dbraw/zinc/32/55/01/569325501.db2.gz RZRPPIPUVMDAEW-QUCCMNQESA-N 0 0 426.561 4.255 50 0 IIAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1OCc1ccccn1 ZINC000079190873 569327939 /nfs/dbraw/zinc/32/79/39/569327939.db2.gz GEMZPIBLYMNZRX-ZJSXRUAMSA-N 0 0 443.455 4.223 50 0 biogenic IIAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)c1 ZINC000019796601 569329534 /nfs/dbraw/zinc/32/95/34/569329534.db2.gz ZQZYDWQWLFVZCB-NSHDSACASA-N 0 0 439.493 4.107 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1C ZINC000019855333 569330517 /nfs/dbraw/zinc/33/05/17/569330517.db2.gz JVLSZWOVRHEJHI-UHFFFAOYSA-N 0 0 442.519 4.391 50 0 IIAARN COc1ccccc1OCC(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000019855290 569330522 /nfs/dbraw/zinc/33/05/22/569330522.db2.gz HDPPXPGWVFYESS-UHFFFAOYSA-N 0 0 428.492 4.083 50 0 IIAARN CC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1O ZINC000020058650 569333033 /nfs/dbraw/zinc/33/30/33/569333033.db2.gz MOMIOYGCSSDFID-UHFFFAOYSA-N 0 0 433.386 4.335 50 0 IIAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O ZINC000020069942 569333426 /nfs/dbraw/zinc/33/34/26/569333426.db2.gz CVXGACRELYYDSN-RCDICMHDSA-N 0 0 447.457 4.490 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114177 569334755 /nfs/dbraw/zinc/33/47/55/569334755.db2.gz IWDDVKPYLPRLRM-XGBSEKJUSA-N 0 0 442.581 4.180 50 0 IIAARN CCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC ZINC000020133194 569335566 /nfs/dbraw/zinc/33/55/66/569335566.db2.gz 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CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCCC3)c2c1 ZINC000020381732 569362631 /nfs/dbraw/zinc/36/26/31/569362631.db2.gz OWYAAMBSHKFCSS-UHFFFAOYSA-N 0 0 426.538 4.465 50 0 IIAARN CC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416820 569364661 /nfs/dbraw/zinc/36/46/61/569364661.db2.gz BVJJNFMNCIKFQO-WGCRAVSWSA-N 0 0 436.556 4.223 50 0 IIAARN CCc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417281 569364946 /nfs/dbraw/zinc/36/49/46/569364946.db2.gz CZNMUCPXPJCBGH-UHFFFAOYSA-N 0 0 432.499 4.203 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417684 569365067 /nfs/dbraw/zinc/36/50/67/569365067.db2.gz FLJGVWOSCIXGTA-INIZCTEOSA-N 0 0 448.954 4.394 50 0 IIAARN C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@H](O)Cc1ccccc1 ZINC000095431404 569366347 /nfs/dbraw/zinc/36/63/47/569366347.db2.gz KQBRDNNCJVAUDQ-SCLBCKFNSA-N 0 0 437.849 4.266 50 0 IIAARN O=S(=O)(Cc1ccc(Cl)nc1)NCCc1csc(-c2ccccc2Cl)n1 ZINC000095442436 569366693 /nfs/dbraw/zinc/36/66/93/569366693.db2.gz ZAAAJSZDLGNCCF-UHFFFAOYSA-N 0 0 428.366 4.174 50 0 IIAARN C[C@@H](c1ccccn1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1 ZINC000095456005 569368725 /nfs/dbraw/zinc/36/87/25/569368725.db2.gz UPTJXSRCANEVMN-KRWDZBQOSA-N 0 0 448.592 4.323 50 0 IIAARN Fc1ccccc1-c1ccc(CN2CCN([C@H]3CCN(CC(F)(F)F)C3)CC2)s1 ZINC000095457033 569368939 /nfs/dbraw/zinc/36/89/39/569368939.db2.gz ZKEHXZYESXMKOY-INIZCTEOSA-N 0 0 427.511 4.308 50 0 IIAARN CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000095465409 569370683 /nfs/dbraw/zinc/37/06/83/569370683.db2.gz PEEPBXCLZCMJDA-FQEVSTJZSA-N 0 0 440.341 4.108 50 0 IIAARN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095479417 569373697 /nfs/dbraw/zinc/37/36/97/569373697.db2.gz AVUJEVMTSHDILG-UHFFFAOYSA-N 0 0 427.907 4.230 50 0 IIAARN Cc1cc(OC(=O)c2cccnc2)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 ZINC000095481879 569374169 /nfs/dbraw/zinc/37/41/69/569374169.db2.gz RFXNUJPCFPAKEK-UHFFFAOYSA-N 0 0 435.505 4.294 50 0 IIAARN COc1cccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@@H](c3cccc(OC)c3)C2)c1 ZINC000095945521 569375869 /nfs/dbraw/zinc/37/58/69/569375869.db2.gz RYEANBFKWHQBSB-XMMPIXPASA-N 0 0 441.487 4.042 50 0 IIAARN O=C(Nc1ccncc1N1CCCCC1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000096011172 569379690 /nfs/dbraw/zinc/37/96/90/569379690.db2.gz TXEULFWDDWCKMP-UHFFFAOYSA-N 0 0 435.549 4.298 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2cccc(F)c2)C1 ZINC000096012489 569380068 /nfs/dbraw/zinc/38/00/68/569380068.db2.gz OVEKLDBQNSKECO-LJQANCHMSA-N 0 0 443.525 4.250 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)NCc3sc(-c4ccccc4C)nc3C)CC2=O)c1 ZINC000096024530 569380636 /nfs/dbraw/zinc/38/06/36/569380636.db2.gz BKKIOEPSTPKNIX-QGZVFWFLSA-N 0 0 435.549 4.105 50 0 IIAARN CC(=O)Nc1ccc(/C=C\C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1 ZINC000096034924 569380885 /nfs/dbraw/zinc/38/08/85/569380885.db2.gz KBSARBHFIXUZNO-JCRZMJHASA-N 0 0 429.561 4.248 50 0 IIAARN O=C(/C=C/c1ccc(F)cc1)NCCN(CC(F)(F)F)C(=O)/C=C\c1ccc(F)cc1 ZINC000096035148 569380899 /nfs/dbraw/zinc/38/08/99/569380899.db2.gz OWJUJLDRAFGWSV-MCSXFCTQSA-N 0 0 438.396 4.199 50 0 IIAARN Cc1s/c(=N\C(=O)c2ccccc2Cl)n(Cc2ccc(C(=O)N3CCCC3)o2)c1C ZINC000096095946 569381039 /nfs/dbraw/zinc/38/10/39/569381039.db2.gz KMFAWHVNUTYHGR-GYHWCHFESA-N 0 0 443.956 4.438 50 0 IIAARN CC(C)c1ccc(OCC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096096955 569381304 /nfs/dbraw/zinc/38/13/04/569381304.db2.gz WARLRWMGHDEVSO-UHFFFAOYSA-N 0 0 433.346 4.416 50 0 IIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103468 569382070 /nfs/dbraw/zinc/38/20/70/569382070.db2.gz UUTMOCJSFZFPIQ-SFHVURJKSA-N 0 0 445.890 4.366 50 0 IIAARN Cc1nc(N(C)C)sc1[C@@H]1c2c(c3ccccc3oc2=O)O[C@@H]1C(=O)Nc1ccccc1 ZINC000096115309 569383138 /nfs/dbraw/zinc/38/31/38/569383138.db2.gz KEBHNNBCWBQAIO-XLIONFOSSA-N 0 0 447.516 4.156 50 0 biogenic IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096116236 569383688 /nfs/dbraw/zinc/38/36/88/569383688.db2.gz CAIIRGHSRSJRAG-ZJSXRUAMSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN Cc1cccc2cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)c(=O)[nH]c12 ZINC000096117404 569384114 /nfs/dbraw/zinc/38/41/14/569384114.db2.gz RZMRARGSWYRBCO-HNAYVOBHSA-N 0 0 438.553 4.343 50 0 IIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117869 569384280 /nfs/dbraw/zinc/38/42/80/569384280.db2.gz BTSMELNPFURBIT-WBMJQRKESA-N 0 0 439.484 4.095 50 0 IIAARN COc1cc(OC)c(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1Cl ZINC000096117705 569384323 /nfs/dbraw/zinc/38/43/23/569384323.db2.gz YHVFWQMILHZBBA-HJWRWDBZSA-N 0 0 428.916 4.248 50 0 IIAARN O=C(CCCCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096118084 569384486 /nfs/dbraw/zinc/38/44/86/569384486.db2.gz BWCIMKOZOJBNJJ-LJQANCHMSA-N 0 0 439.947 4.095 50 0 IIAARN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000096120097 569384920 /nfs/dbraw/zinc/38/49/20/569384920.db2.gz FSNYTLLSHKGGHN-CYBMUJFWSA-N 0 0 425.900 4.106 50 0 IIAARN Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096119619 569384687 /nfs/dbraw/zinc/38/46/87/569384687.db2.gz KJCPUAMIPVXLMY-UHFFFAOYSA-N 0 0 436.475 4.375 50 0 IIAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N(CCc1cccs1)Cc1ccco1 ZINC000096120272 569384894 /nfs/dbraw/zinc/38/48/94/569384894.db2.gz WIJXFHJIEZZXLH-UHFFFAOYSA-N 0 0 425.478 4.223 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121668 569385115 /nfs/dbraw/zinc/38/51/15/569385115.db2.gz ZJZBICSJGMRWHJ-UHFFFAOYSA-N 0 0 431.323 4.325 50 0 IIAARN O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096122547 569385256 /nfs/dbraw/zinc/38/52/56/569385256.db2.gz RIWGWABFVACCMG-LJQANCHMSA-N 0 0 444.457 4.164 50 0 IIAARN COc1ccc(NC(=O)NCCCn2c3ncccc3nc2C(F)(F)F)cc1Cl ZINC000096124738 569385524 /nfs/dbraw/zinc/38/55/24/569385524.db2.gz SQQMCEFEJYATDP-UHFFFAOYSA-N 0 0 427.814 4.324 50 0 IIAARN CCOC(=O)CCN(CC1CC1)C(=O)/C=C\c1cccc(OCc2csc(C)n2)c1 ZINC000096133988 569385821 /nfs/dbraw/zinc/38/58/21/569385821.db2.gz HPCUTELTYQNLNH-KTKRTIGZSA-N 0 0 428.554 4.236 50 0 IIAARN COCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1cccc(F)c1 ZINC000096276794 569388670 /nfs/dbraw/zinc/38/86/70/569388670.db2.gz ZVTQRXXVHLRQHE-UHFFFAOYSA-N 0 0 435.455 4.050 50 0 IIAARN O=C(c1cccs1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000096277753 569388873 /nfs/dbraw/zinc/38/88/73/569388873.db2.gz GZHXWWPLYACQSI-UHFFFAOYSA-N 0 0 433.489 4.412 50 0 IIAARN CC(C)(C)c1ccc([C@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000096278196 569388945 /nfs/dbraw/zinc/38/89/45/569388945.db2.gz JHSQGNFDLAQWKQ-QHCPKHFHSA-N 0 0 433.596 4.436 50 0 IIAARN CC(C)n1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(Cl)c2)c1=O ZINC000096280804 569389668 /nfs/dbraw/zinc/38/96/68/569389668.db2.gz ZBVANTYKWDOGRA-UHFFFAOYSA-N 0 0 429.307 4.285 50 0 IIAARN O=c1c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(Cl)cc2)c(=O)n1CC1CC1 ZINC000096280788 569389672 /nfs/dbraw/zinc/38/96/72/569389672.db2.gz USFMBLQVNIPSEX-UHFFFAOYSA-N 0 0 441.318 4.114 50 0 IIAARN CCN1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2cccc(C)c2)CC1 ZINC000096287105 569390318 /nfs/dbraw/zinc/39/03/18/569390318.db2.gz SZBPTDABIGDSID-UHFFFAOYSA-N 0 0 445.394 4.406 50 0 IIAARN COCc1nnc(SCc2ccc(C(=O)NCC(C)C)cc2)n1-c1ccc(F)cc1 ZINC000096289656 569390788 /nfs/dbraw/zinc/39/07/88/569390788.db2.gz IXNQYYTVVFTKRU-UHFFFAOYSA-N 0 0 428.533 4.231 50 0 IIAARN CC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)cc1)CC(C)C ZINC000096292549 569391367 /nfs/dbraw/zinc/39/13/67/569391367.db2.gz BFSFZVQAQLUZCL-UHFFFAOYSA-N 0 0 447.553 4.024 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096309473 569392290 /nfs/dbraw/zinc/39/22/90/569392290.db2.gz OBQPMKVMGMCZTG-OAHLLOKOSA-N 0 0 430.434 4.281 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)/C=C\c3cccc4ccccc34)C2)cc1 ZINC000096315862 569392716 /nfs/dbraw/zinc/39/27/16/569392716.db2.gz YBMIDABTZOWRES-QTIWRUEGSA-N 0 0 448.588 4.379 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CC[C@](C)(CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)N1CCOCC1 ZINC000031929749 569458421 /nfs/dbraw/zinc/45/84/21/569458421.db2.gz DFTCTACDOGQDIN-XMMPIXPASA-N 0 0 446.975 4.158 50 0 IIAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000031956467 569458494 /nfs/dbraw/zinc/45/84/94/569458494.db2.gz JOWOOQAWXUBSQN-UHFFFAOYSA-N 0 0 428.485 4.410 50 0 IIAARN C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 ZINC000004064813 569458589 /nfs/dbraw/zinc/45/85/89/569458589.db2.gz SERMPXSEVYHFRL-AWLXNZOLSA-N 0 0 425.598 4.158 50 0 biogenic IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032071704 569459242 /nfs/dbraw/zinc/45/92/42/569459242.db2.gz SNEBGULVNZZONT-UHFFFAOYSA-N 0 0 437.565 4.147 50 0 IIAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Br)cc1 ZINC000032091794 569459624 /nfs/dbraw/zinc/45/96/24/569459624.db2.gz CUDPIIFMUKRINM-MRXNPFEDSA-N 0 0 441.285 4.493 50 0 IIAARN 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569462358 /nfs/dbraw/zinc/46/23/58/569462358.db2.gz RFJGRTWCEVCSPI-JOCHJYFZSA-N 0 0 425.554 4.340 50 0 IIAARN O=C(NCc1cccs1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038554798 569463994 /nfs/dbraw/zinc/46/39/94/569463994.db2.gz ABQRZEOCUKHTNO-UHFFFAOYSA-N 0 0 431.565 4.178 50 0 IIAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1cc(F)ccc1Cl ZINC000067208645 569464743 /nfs/dbraw/zinc/46/47/43/569464743.db2.gz UREFIEUMSQFIKK-UHFFFAOYSA-N 0 0 447.857 4.142 50 0 IIAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc(C)c(Cl)c2)c3=O)c1 ZINC000067235473 569465333 /nfs/dbraw/zinc/46/53/33/569465333.db2.gz JWHTUHLGZSDDGL-UHFFFAOYSA-N 0 0 436.899 4.011 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236335 569465437 /nfs/dbraw/zinc/46/54/37/569465437.db2.gz ZTWKVRYPSWVPJJ-UHFFFAOYSA-N 0 0 428.901 4.059 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4Cl)ccn3n2)cc1C ZINC000067260882 569466387 /nfs/dbraw/zinc/46/63/87/569466387.db2.gz NWPIVKBXQMYSCD-UHFFFAOYSA-N 0 0 434.927 4.140 50 0 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O=C(NC1CC1)[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000008719167 569471366 /nfs/dbraw/zinc/47/13/66/569471366.db2.gz CFBBXKFKCOWQFV-IEBWSBKVSA-N 0 0 440.594 4.298 50 0 IIAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000008720610 569471634 /nfs/dbraw/zinc/47/16/34/569471634.db2.gz OGLPGOZDIPJXHF-UHFFFAOYSA-N 0 0 441.487 4.000 50 0 IIAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000008723716 569471868 /nfs/dbraw/zinc/47/18/68/569471868.db2.gz HAYGDADDOXXGKU-QGZVFWFLSA-N 0 0 447.582 4.211 50 0 IIAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000008724003 569471959 /nfs/dbraw/zinc/47/19/59/569471959.db2.gz VSAKSCYLYYDNAB-LJQANCHMSA-N 0 0 438.549 4.469 50 0 IIAARN Cc1nnc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1-c1cc(C)ccc1C ZINC000008728398 569472437 /nfs/dbraw/zinc/47/24/37/569472437.db2.gz RLVGDSAGYNCEAL-UHFFFAOYSA-N 0 0 435.553 4.050 50 0 IIAARN CC(C)COC[C@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740376 569472778 /nfs/dbraw/zinc/47/27/78/569472778.db2.gz SBIIPIYVHGZREK-HVETUWLQSA-N 0 0 430.526 4.023 50 0 biogenic IIAARN CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000008759617 569474223 /nfs/dbraw/zinc/47/42/23/569474223.db2.gz UWZFICKYKWIIGX-UHFFFAOYSA-N 0 0 433.936 4.433 50 0 IIAARN CC(=O)NCc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1 ZINC000008761865 569474321 /nfs/dbraw/zinc/47/43/21/569474321.db2.gz QLHOYJFMZGQSGZ-UHFFFAOYSA-N 0 0 437.546 4.014 50 0 IIAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008770364 569475091 /nfs/dbraw/zinc/47/50/91/569475091.db2.gz KKHGNGVKDIMZKS-UHFFFAOYSA-N 0 0 439.471 4.329 50 0 IIAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 ZINC000008780326 569475618 /nfs/dbraw/zinc/47/56/18/569475618.db2.gz HJWVSNXCDOQINU-UHFFFAOYSA-N 0 0 449.580 4.287 50 0 IIAARN Cc1nn(Cc2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)cc2)c(C)c1Cl ZINC000008782570 569475835 /nfs/dbraw/zinc/47/58/35/569475835.db2.gz WVFNHOXWDPGUPJ-UHFFFAOYSA-N 0 0 441.841 4.187 50 0 IIAARN CCCCN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789910 569475994 /nfs/dbraw/zinc/47/59/94/569475994.db2.gz YZWZGQFRLKJMDI-SIBVEZHUSA-N 0 0 431.536 4.008 50 0 biogenic IIAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)c1 ZINC000008791602 569476276 /nfs/dbraw/zinc/47/62/76/569476276.db2.gz AUFSXGLHELKNKR-UHFFFAOYSA-N 0 0 437.492 4.403 50 0 biogenic IIAARN O=C(Nc1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccccc1 ZINC000008806787 569476476 /nfs/dbraw/zinc/47/64/76/569476476.db2.gz SIMWGPOYYJAKDD-UHFFFAOYSA-N 0 0 426.929 4.011 50 0 IIAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1C ZINC000008808510 569476504 /nfs/dbraw/zinc/47/65/04/569476504.db2.gz BXVWTVVNNJTZNK-UHFFFAOYSA-N 0 0 439.459 4.101 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000008824072 569477156 /nfs/dbraw/zinc/47/71/56/569477156.db2.gz HXOKSCNYPGCRKV-UHFFFAOYSA-N 0 0 446.916 4.041 50 0 IIAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000008824542 569477193 /nfs/dbraw/zinc/47/71/93/569477193.db2.gz AJEGWVPSYPHYDR-UHFFFAOYSA-N 0 0 429.476 4.415 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccncc1)Nc1ccc2c(c1)CCC2 ZINC000008826402 569477539 /nfs/dbraw/zinc/47/75/39/569477539.db2.gz ASSBDQKFIWFKLQ-UHFFFAOYSA-N 0 0 442.544 4.059 50 0 IIAARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008834486 569477902 /nfs/dbraw/zinc/47/79/02/569477902.db2.gz HKQRZCQREBPHFW-OAQYLSRUSA-N 0 0 437.583 4.319 50 0 IIAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840996 569478409 /nfs/dbraw/zinc/47/84/09/569478409.db2.gz ZGTKGFTXGUAIHH-UHFFFAOYSA-N 0 0 430.570 4.005 50 0 IIAARN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843878 569478543 /nfs/dbraw/zinc/47/85/43/569478543.db2.gz VGDMKDNWFPXQBX-GOSISDBHSA-N 0 0 446.370 4.279 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)cc(C)c3O)[nH]n1)CCCC2 ZINC000008845578 569478814 /nfs/dbraw/zinc/47/88/14/569478814.db2.gz JZFQBHNVTALHBM-UHFFFAOYSA-N 0 0 425.510 4.378 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846107 569478981 /nfs/dbraw/zinc/47/89/81/569478981.db2.gz DPEXCOPAHSOUSZ-HSZRJFAPSA-N 0 0 442.471 4.346 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000008846312 569479043 /nfs/dbraw/zinc/47/90/43/569479043.db2.gz JWRAKNHVEFPDDE-SFHVURJKSA-N 0 0 438.549 4.420 50 0 IIAARN O=C(CSc1ccc2ccccc2c1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000039573385 569481762 /nfs/dbraw/zinc/48/17/62/569481762.db2.gz XLKQBNXBXNEPFU-UDWIEESQSA-N 0 0 449.557 4.180 50 0 IIAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000039979089 569482196 /nfs/dbraw/zinc/48/21/96/569482196.db2.gz XTJQGRYGVPIHSI-JOCHJYFZSA-N 0 0 428.536 4.418 50 0 IIAARN CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000068926703 569482888 /nfs/dbraw/zinc/48/28/88/569482888.db2.gz VZPMWMPHGYRAPL-HSZRJFAPSA-N 0 0 445.922 4.075 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CS(=O)(=O)C3)cc1C ZINC000008882421 569482961 /nfs/dbraw/zinc/48/29/61/569482961.db2.gz OGPVXMFJXCLCAX-UHFFFAOYSA-N 0 0 449.454 4.189 50 0 IIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)cc12 ZINC000040030735 569483068 /nfs/dbraw/zinc/48/30/68/569483068.db2.gz KRIAQBOENQRATM-QGZVFWFLSA-N 0 0 426.590 4.357 50 0 IIAARN COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N ZINC000008883932 569483122 /nfs/dbraw/zinc/48/31/22/569483122.db2.gz FHHTVSPTKZWFHD-UHFFFAOYSA-N 0 0 440.569 4.372 50 0 IIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Oc1ccc(C(=O)OC)cc1OC ZINC000040032439 569483132 /nfs/dbraw/zinc/48/31/32/569483132.db2.gz BRPAIYIRBKAFMK-UHFFFAOYSA-N 0 0 431.448 4.133 50 0 IIAARN CCOc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000040057002 569484615 /nfs/dbraw/zinc/48/46/15/569484615.db2.gz WFRMPSXQMXURCC-UHFFFAOYSA-N 0 0 433.555 4.055 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)s1 ZINC000008912645 569485067 /nfs/dbraw/zinc/48/50/67/569485067.db2.gz FSCRFUFABGIXEX-NRFANRHFSA-N 0 0 435.597 4.356 50 0 IIAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000040070944 569485648 /nfs/dbraw/zinc/48/56/48/569485648.db2.gz XORCTEBSCVUMBM-UHFFFAOYSA-N 0 0 442.437 4.281 50 0 IIAARN Cc1cc(OC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000008917789 569486115 /nfs/dbraw/zinc/48/61/15/569486115.db2.gz LPRIHYKIZCTHNW-FQEVSTJZSA-N 0 0 447.487 4.297 50 0 biogenic IIAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000040081839 569486610 /nfs/dbraw/zinc/48/66/10/569486610.db2.gz RTYAFBNYAOFSTP-HSZRJFAPSA-N 0 0 437.547 4.413 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000008924573 569487183 /nfs/dbraw/zinc/48/71/83/569487183.db2.gz XSZSKSDXWYIRSB-CABCVRRESA-N 0 0 428.533 4.471 50 0 IIAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c21 ZINC000008933150 569487751 /nfs/dbraw/zinc/48/77/51/569487751.db2.gz GNYBOURBTCGPMF-XXBNENTESA-N 0 0 442.563 4.403 50 0 IIAARN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000040113041 569489014 /nfs/dbraw/zinc/48/90/14/569489014.db2.gz KBXBTOFLRBQFSJ-AOMKIAJQSA-N 0 0 425.960 4.252 50 0 IIAARN O=C(Nc1ccc(N2CCc3ccccc32)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000040116220 569489260 /nfs/dbraw/zinc/48/92/60/569489260.db2.gz KTXNZSXHMJSFNO-UHFFFAOYSA-N 0 0 433.533 4.074 50 0 IIAARN Cc1sc(=O)n(CC(=O)Oc2ccc(C(=O)OC(C)C)cc2)c1-c1ccc(F)cc1 ZINC000040133734 569490424 /nfs/dbraw/zinc/49/04/24/569490424.db2.gz QYGQVXMTKPDMAL-UHFFFAOYSA-N 0 0 429.469 4.195 50 0 IIAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2C1=O ZINC000008961125 569491023 /nfs/dbraw/zinc/49/10/23/569491023.db2.gz OBXIAZHNSSRRDJ-UHFFFAOYSA-N 0 0 442.468 4.408 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NCc1cccc(Cl)c1 ZINC000008965175 569491328 /nfs/dbraw/zinc/49/13/28/569491328.db2.gz QJUKYASKWMEFJT-KRWDZBQOSA-N 0 0 434.927 4.335 50 0 IIAARN CC[C@@H](C(=O)NCc1ccccc1OC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965287 569491413 /nfs/dbraw/zinc/49/14/13/569491413.db2.gz XAYPFWIFAZQQEV-QFIPXVFZSA-N 0 0 444.535 4.080 50 0 IIAARN O=C(NCCSCc1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000040141443 569491702 /nfs/dbraw/zinc/49/17/02/569491702.db2.gz WONZFEYVJGDZDB-UHFFFAOYSA-N 0 0 425.575 4.324 50 0 IIAARN O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N1CCc2ccccc21 ZINC000040143248 569491861 /nfs/dbraw/zinc/49/18/61/569491861.db2.gz GCRFWQUZVANBEL-UHFFFAOYSA-N 0 0 425.282 4.426 50 0 IIAARN O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000040144055 569491928 /nfs/dbraw/zinc/49/19/28/569491928.db2.gz XYLFLVPWGWJDMT-UHFFFAOYSA-N 0 0 425.204 4.491 50 0 IIAARN C[C@@H](Oc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)cn1)c1ccccc1 ZINC000040145104 569492076 /nfs/dbraw/zinc/49/20/76/569492076.db2.gz QKOOAHWKNAZSCN-GOSISDBHSA-N 0 0 427.508 4.284 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H](O)c1ccccc1)oc1c3CCCC1 ZINC000008971678 569492761 /nfs/dbraw/zinc/49/27/61/569492761.db2.gz MWJJFLBBDAMOBG-OAQYLSRUSA-N 0 0 431.488 4.119 50 0 biogenic IIAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2C1 ZINC000008977235 569492920 /nfs/dbraw/zinc/49/29/20/569492920.db2.gz JMBJSCKUMOSRRF-UHFFFAOYSA-N 0 0 430.913 4.073 50 0 IIAARN O=C(Nc1ccccc1CN1CCc2ccccc21)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000040150643 569493226 /nfs/dbraw/zinc/49/32/26/569493226.db2.gz QADQACHHOQAOEI-XMMPIXPASA-N 0 0 439.559 4.279 50 0 IIAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000040154567 569493773 /nfs/dbraw/zinc/49/37/73/569493773.db2.gz UYXXCBGTFRTKOC-UHFFFAOYSA-N 0 0 425.504 4.218 50 0 IIAARN COc1ccnc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)n1 ZINC000040155602 569493961 /nfs/dbraw/zinc/49/39/61/569493961.db2.gz YSASXLNGIFXNRK-UHFFFAOYSA-N 0 0 438.944 4.137 50 0 IIAARN Cc1noc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2cccc(C)c2)n1 ZINC000040156213 569494108 /nfs/dbraw/zinc/49/41/08/569494108.db2.gz XTADDXRMWATYMY-UHFFFAOYSA-N 0 0 445.508 4.146 50 0 IIAARN C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(COc3ccccc3)c2)C1=O ZINC000040157003 569494255 /nfs/dbraw/zinc/49/42/55/569494255.db2.gz JRDGNANAYRFJCF-IBGZPJMESA-N 0 0 430.504 4.086 50 0 IIAARN CC(=O)c1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000040157674 569494283 /nfs/dbraw/zinc/49/42/83/569494283.db2.gz ZXRDEEIVCOQLJO-HBMCJLEFSA-N 0 0 444.325 4.162 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c(Cl)c1 ZINC000008981887 569494418 /nfs/dbraw/zinc/49/44/18/569494418.db2.gz CHHZPVCQLYTDNX-UHFFFAOYSA-N 0 0 438.753 4.228 50 0 IIAARN COc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)n2)cc1 ZINC000040157953 569494446 /nfs/dbraw/zinc/49/44/46/569494446.db2.gz IFQVKPKFZRPYCC-UHFFFAOYSA-N 0 0 447.520 4.296 50 0 IIAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c(=O)oc12 ZINC000008992948 569495401 /nfs/dbraw/zinc/49/54/01/569495401.db2.gz GHYKQZFMDLFMFY-UHFFFAOYSA-N 0 0 445.519 4.331 50 0 IIAARN CCCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1[C@@H](CC)N(C)C 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IIAARN CCN1CCN([C@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)CC1 ZINC000021777282 521695298 /nfs/dbraw/zinc/69/52/98/521695298.db2.gz YLWYGJKPFOBRAI-IBGZPJMESA-N 0 0 427.346 4.226 50 0 IIAARN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012552005 521700303 /nfs/dbraw/zinc/70/03/03/521700303.db2.gz SBLIZTHPZLLDSC-UHFFFAOYSA-N 0 0 447.910 4.302 50 0 IIAARN CCN1C[C@@H](CN(C)C(=O)c2cc3c(C)nn(CC(C)C)c3s2)Oc2ccccc21 ZINC000012653918 521727408 /nfs/dbraw/zinc/72/74/08/521727408.db2.gz FDKSPTKRMCPWSP-QGZVFWFLSA-N 0 0 426.586 4.422 50 0 IIAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)CC(C)C ZINC000036040471 521739552 /nfs/dbraw/zinc/73/95/52/521739552.db2.gz IEUVDSBAOBCSBK-UHFFFAOYSA-N 0 0 448.633 4.009 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)c1C ZINC000012793101 521750406 /nfs/dbraw/zinc/75/04/06/521750406.db2.gz FYFFLGPTKGXWHW-UHFFFAOYSA-N 0 0 445.472 4.055 50 0 IIAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(CC(C)C)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000036017578 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ZINC000015881288 522017202 /nfs/dbraw/zinc/01/72/02/522017202.db2.gz NWRCKYXHBHASAW-UHFFFAOYSA-N 0 0 425.488 4.069 50 0 IIAARN COc1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000012594702 522080767 /nfs/dbraw/zinc/08/07/67/522080767.db2.gz BGMKAMFJXWGUFN-NRFANRHFSA-N 0 0 449.482 4.224 50 0 IIAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)S(C)(=O)=O ZINC000035945579 522098624 /nfs/dbraw/zinc/09/86/24/522098624.db2.gz PATQDDNJIWAXQY-OAHLLOKOSA-N 0 0 437.993 4.218 50 0 IIAARN CN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000036045191 522119455 /nfs/dbraw/zinc/11/94/55/522119455.db2.gz HROSJORNGXWMQJ-UHFFFAOYSA-N 0 0 436.459 4.377 50 0 IIAARN COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C ZINC000012806818 522155637 /nfs/dbraw/zinc/15/56/37/522155637.db2.gz RAYPNYTVWYKLMA-UHFFFAOYSA-N 0 0 435.480 4.258 50 0 IIAARN COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)(C)C)cc(OC)c1OC ZINC000012364925 522157705 /nfs/dbraw/zinc/15/77/05/522157705.db2.gz DEOQTDCSEWZNHJ-UHFFFAOYSA-N 0 0 426.513 4.290 50 0 biogenic,in-vitro IIAARN COc1cc(CCC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc(OC)c1 ZINC000014808941 522326057 /nfs/dbraw/zinc/32/60/57/522326057.db2.gz GEIOFEXREDSSNW-UHFFFAOYSA-N 0 0 435.450 4.010 50 0 IIAARN CC[C@H](NC(=O)Cc1c(C)nc2nc(SC)nn2c1C)C12CC3CC(CC(C3)C1)C2 ZINC000036760994 522398982 /nfs/dbraw/zinc/39/89/82/522398982.db2.gz MXWUDUBKMKXOQS-UVLALUNPSA-N 0 0 427.618 4.117 50 0 IIAARN CC[C@H](NC(=O)CN1C(=S)N=NC1c1cccs1)c1ccc(Br)cc1 ZINC000012861521 522405125 /nfs/dbraw/zinc/40/51/25/522405125.db2.gz WEBHFKTZKUYUQI-ZDUSSCGKSA-N 0 0 437.388 4.325 50 0 IIAARN COC(=O)c1sccc1NC(=O)CSc1nnc2c3ccccc3n(C(C)C)c2n1 ZINC000012401767 522444398 /nfs/dbraw/zinc/44/43/98/522444398.db2.gz BMGVWAYPHPLNLI-UHFFFAOYSA-N 0 0 441.538 4.139 50 0 IIAARN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 ZINC000012923747 522455680 /nfs/dbraw/zinc/45/56/80/522455680.db2.gz BCGVNCNYVNOTFL-UHFFFAOYSA-N 0 0 445.519 4.217 50 0 IIAARN CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1Cl ZINC000012824716 522455954 /nfs/dbraw/zinc/45/59/54/522455954.db2.gz RTGNQAOYEYHZBF-KRWDZBQOSA-N 0 0 425.838 4.078 50 0 IIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCCN(C(=O)CC(C)C)CC2)n1 ZINC000036024902 522468646 /nfs/dbraw/zinc/46/86/46/522468646.db2.gz DLPFSDNMTQIQQB-UHFFFAOYSA-N 0 0 434.588 4.080 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCC(=O)c1ccccc1 ZINC000017974170 522502990 /nfs/dbraw/zinc/50/29/90/522502990.db2.gz UJWNEHDTVWVYAB-UHFFFAOYSA-N 0 0 426.822 4.419 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1Cl ZINC000001111384 522529414 /nfs/dbraw/zinc/52/94/14/522529414.db2.gz DUESTPDPNPCPES-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1Cl ZINC000001114764 522531265 /nfs/dbraw/zinc/53/12/65/522531265.db2.gz IEUKGJFSGHUWSF-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN CC[C@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1nc2cc(C)ccc2[nH]1 ZINC000012433958 522548553 /nfs/dbraw/zinc/54/85/53/522548553.db2.gz MIAQDLDTHWYHGA-INIZCTEOSA-N 0 0 442.445 4.411 50 0 IIAARN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034680020 522734779 /nfs/dbraw/zinc/73/47/79/522734779.db2.gz FSGDSKZCZDFFMV-LJQANCHMSA-N 0 0 434.511 4.425 50 0 IIAARN COc1cc(OC)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC ZINC000012760555 522787930 /nfs/dbraw/zinc/78/79/30/522787930.db2.gz IKKMXADXBLSFIH-UHFFFAOYSA-N 0 0 443.503 4.495 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)c(OC)c1 ZINC000022087041 522791018 /nfs/dbraw/zinc/79/10/18/522791018.db2.gz HAAYMWMNIDXOJB-UHFFFAOYSA-N 0 0 433.508 4.202 50 0 IIAARN CCc1nnc2c(SCC(=O)Nc3ccc(OC)c(Cl)c3)nc3ccccc3n12 ZINC000035426718 522797216 /nfs/dbraw/zinc/79/72/16/522797216.db2.gz KTMJAACVOMCUFB-UHFFFAOYSA-N 0 0 427.917 4.233 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445644 522805933 /nfs/dbraw/zinc/80/59/33/522805933.db2.gz NMIGNXQDDHUPHZ-RTBURBONSA-N 0 0 427.961 4.454 50 0 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522961113 /nfs/dbraw/zinc/96/11/13/522961113.db2.gz YNPZRHHNHBUJJM-UHFFFAOYSA-N 0 0 432.521 4.035 50 0 IIAARN CC[C@H]1CCCCN1C(=O)c1cc(NC(=O)COC)cc2nc(-c3cccnc3)n(CC)c21 ZINC000012182465 523014729 /nfs/dbraw/zinc/01/47/29/523014729.db2.gz DGNBLSIVDPDRNF-IBGZPJMESA-N 0 0 449.555 4.108 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CCCOc1cccc(Br)c1)CC2 ZINC000014790209 523027438 /nfs/dbraw/zinc/02/74/38/523027438.db2.gz IKEIXVKTHXOQFI-UHFFFAOYSA-N 0 0 434.330 4.210 50 0 IIAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccs1)N(Cc1ccc(F)cc1)CC2 ZINC000036040786 523046859 /nfs/dbraw/zinc/04/68/59/523046859.db2.gz WACYVXCSJUDLJI-FQEVSTJZSA-N 0 0 440.540 4.434 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N1CCc3ccccc31)CC2 ZINC000035400139 523052388 /nfs/dbraw/zinc/05/23/88/523052388.db2.gz YJOWJAKKMLZQLJ-RUZDIDTESA-N 0 0 434.561 4.302 50 0 IIAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000021935499 523078694 /nfs/dbraw/zinc/07/86/94/523078694.db2.gz JQXLAPLLTLPPGX-YVEFUNNKSA-N 0 0 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523221181 /nfs/dbraw/zinc/22/11/81/523221181.db2.gz MVKOISDGCZINSW-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN COc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)C3CCCCC3)n2)cc1 ZINC000035988129 523236358 /nfs/dbraw/zinc/23/63/58/523236358.db2.gz XBXVZKKZRKBBKF-UHFFFAOYSA-N 0 0 431.540 4.246 50 0 IIAARN COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1cccs1 ZINC000012736187 523277200 /nfs/dbraw/zinc/27/72/00/523277200.db2.gz YIPQFRKYLFSUKT-MRXNPFEDSA-N 0 0 448.342 4.039 50 0 IIAARN CCn1c2ccccc2n(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1=O ZINC000021141586 523283051 /nfs/dbraw/zinc/28/30/51/523283051.db2.gz HTDCYESMCKGSSQ-UHFFFAOYSA-N 0 0 434.521 4.166 50 0 IIAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)n2)cc1OC ZINC000020847907 523297969 /nfs/dbraw/zinc/29/79/69/523297969.db2.gz LTBJCNLZWHLSBI-UHFFFAOYSA-N 0 0 436.512 4.226 50 0 IIAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1OC ZINC000020847955 523298180 /nfs/dbraw/zinc/29/81/80/523298180.db2.gz SMUOHVMFUUQSFN-UHFFFAOYSA-N 0 0 436.512 4.226 50 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523752295 /nfs/dbraw/zinc/75/22/95/523752295.db2.gz VDWCTHQEKQXRCS-HSZRJFAPSA-N 0 0 446.551 4.292 50 0 IIAARN CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3cccc(OC)c3)c2)n(C)n1 ZINC000012463329 523752559 /nfs/dbraw/zinc/75/25/59/523752559.db2.gz VDWCTHQEKQXRCS-QHCPKHFHSA-N 0 0 446.551 4.292 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1OC ZINC000009659172 523763186 /nfs/dbraw/zinc/76/31/86/523763186.db2.gz SFZMTZSSPFKAIY-UHFFFAOYSA-N 0 0 431.901 4.247 50 0 IIAARN COc1ccc(C)cc1-c1csc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 ZINC000015637689 523798069 /nfs/dbraw/zinc/79/80/69/523798069.db2.gz NXZRVCLWGKBQHY-UHFFFAOYSA-N 0 0 440.550 4.154 50 0 IIAARN CC[C@H](C(=O)Nc1ccc(OC)cc1OC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783949 523801723 /nfs/dbraw/zinc/80/17/23/523801723.db2.gz AMDIRFLVGSNLLF-JOCHJYFZSA-N 0 0 447.535 4.396 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(F)cc2)C12CCCCC2 ZINC000020720866 523808767 /nfs/dbraw/zinc/80/87/67/523808767.db2.gz MGZYXCIHPPDMFP-QHCPKHFHSA-N 0 0 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COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000012816744 523940502 /nfs/dbraw/zinc/94/05/02/523940502.db2.gz KQFNKDVVZAGGFS-FQEVSTJZSA-N 0 0 426.900 4.067 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000024830404 523943747 /nfs/dbraw/zinc/94/37/47/523943747.db2.gz HDKVPBOPAZYNQI-SFHVURJKSA-N 0 0 432.561 4.441 50 0 IIAARN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000012278431 523953459 /nfs/dbraw/zinc/95/34/59/523953459.db2.gz FBZGKRPPMBLBBQ-RUZDIDTESA-N 0 0 448.611 4.233 50 0 IIAARN CCc1ccc(Cn2nccc2NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000021599720 523955982 /nfs/dbraw/zinc/95/59/82/523955982.db2.gz PGGXPBMPTUTREJ-OUKQBFOZSA-N 0 0 442.563 4.384 50 0 IIAARN COc1ccc(CCNC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1OC ZINC000012783790 523959636 /nfs/dbraw/zinc/95/96/36/523959636.db2.gz NDPKKMYBAYZEJY-UHFFFAOYSA-N 0 0 439.581 4.464 50 0 IIAARN CC[C@H](C)NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)CC1 ZINC000020564373 523963614 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CCc1ccc(OCC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 ZINC000035429525 524005305 /nfs/dbraw/zinc/00/53/05/524005305.db2.gz SJXQOSXEQHDZQC-UHFFFAOYSA-N 0 0 449.532 4.468 50 0 IIAARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000012137647 524008444 /nfs/dbraw/zinc/00/84/44/524008444.db2.gz IXVXEYFEUYBBBG-SFHVURJKSA-N 0 0 438.549 4.134 50 0 IIAARN COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000020647404 524012564 /nfs/dbraw/zinc/01/25/64/524012564.db2.gz TXJRUQBISCIERE-UHFFFAOYSA-N 0 0 447.963 4.114 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1OS(C)(=O)=O ZINC000035776497 524016049 /nfs/dbraw/zinc/01/60/49/524016049.db2.gz DFIGHEUIEHVNNB-UHFFFAOYSA-N 0 0 449.912 4.123 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccccc4)nc23)cc1 ZINC000020516410 524017937 /nfs/dbraw/zinc/01/79/37/524017937.db2.gz RZXPSVPZFIPQEI-UHFFFAOYSA-N 0 0 449.561 4.346 50 0 IIAARN COc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810914 524021285 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C[C@H]1CCCN(c2nc3ncnc(SCC(=O)NCCC4=CCCCC4)c3s2)C1 ZINC000035483762 524107805 /nfs/dbraw/zinc/10/78/05/524107805.db2.gz IJXPCTAXZPBJIG-HNNXBMFYSA-N 0 0 431.631 4.421 50 0 IIAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000036060316 524120508 /nfs/dbraw/zinc/12/05/08/524120508.db2.gz FKIBIBXDHXWGQS-VXKWHMMOSA-N 0 0 426.944 4.217 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000015943802 524134895 /nfs/dbraw/zinc/13/48/95/524134895.db2.gz IGYJPMQNJMAAKJ-SDEKRAFDSA-N 0 0 443.613 4.014 50 0 IIAARN Cc1ccc(C)c(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000021763159 524137300 /nfs/dbraw/zinc/13/73/00/524137300.db2.gz WVXYGYNYGXHTFW-UHFFFAOYSA-N 0 0 435.446 4.116 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCCC(C)C)C2)c1 ZINC000033302555 524138266 /nfs/dbraw/zinc/13/82/66/524138266.db2.gz CJZSSFJFBNIXCM-SFHVURJKSA-N 0 0 438.597 4.134 50 0 IIAARN Cc1cccc(-n2c3nc(-c4cnn(C)c4)cc(C(F)(F)F)c3c(=O)[nH]c2=S)c1C ZINC000020605584 524139752 /nfs/dbraw/zinc/13/97/52/524139752.db2.gz ZIJZXNPZLKRBJA-UHFFFAOYSA-N 0 0 431.443 4.479 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000021861185 524141702 /nfs/dbraw/zinc/14/17/02/524141702.db2.gz QSTAOBHEAQDDCS-OWWOZPERSA-N 0 0 448.542 4.285 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)NCCc2ccccc2)cc1 ZINC000032948780 524156146 /nfs/dbraw/zinc/15/61/46/524156146.db2.gz POGPURSOFWNIOZ-JOCHJYFZSA-N 0 0 432.520 4.120 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccs1 ZINC000021861130 524170496 /nfs/dbraw/zinc/17/04/96/524170496.db2.gz RGVQKOIFRZJNKJ-BUKPSGGLSA-N 0 0 436.581 4.207 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000021811298 524171442 /nfs/dbraw/zinc/17/14/42/524171442.db2.gz OVQGLPALXNGWRN-DNHRDODTSA-N 0 0 437.515 4.483 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000021811272 524171471 /nfs/dbraw/zinc/17/14/71/524171471.db2.gz DIFIFTKIBVPJHW-YMJPAYASSA-N 0 0 433.552 4.386 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596920 524192831 /nfs/dbraw/zinc/19/28/31/524192831.db2.gz QBKZRWXXCUTCRZ-CQSZACIVSA-N 0 0 441.871 4.147 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccccc4)nc23)c1 ZINC000020516440 524197080 /nfs/dbraw/zinc/19/70/80/524197080.db2.gz SEUYIYJCJYNLDM-UHFFFAOYSA-N 0 0 449.561 4.401 50 0 IIAARN COc1ccc(Cl)cc1C(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 ZINC000012442859 524199722 /nfs/dbraw/zinc/19/97/22/524199722.db2.gz CXKYEDNWACRKKI-UHFFFAOYSA-N 0 0 433.942 4.302 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCCC3)sc21 ZINC000035533154 524226511 /nfs/dbraw/zinc/22/65/11/524226511.db2.gz BWHPQIWIIONGBZ-UHFFFAOYSA-N 0 0 435.962 4.079 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000012248639 524227091 /nfs/dbraw/zinc/22/70/91/524227091.db2.gz PIKHKMPCNPDUIL-UHFFFAOYSA-N 0 0 435.889 4.147 50 0 IIAARN Cc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@@H](c3cccs3)C2)o1 ZINC000012534497 524232621 /nfs/dbraw/zinc/23/26/21/524232621.db2.gz UIFMPJZLUKGLHW-LJQANCHMSA-N 0 0 436.537 4.141 50 0 IIAARN COc1ccc(Cl)cc1Nc1nc(Nc2ccc(C)c(C)c2)nc(N2CCOCC2)n1 ZINC000012235210 524247891 /nfs/dbraw/zinc/24/78/91/524247891.db2.gz IMJHZLGIECHMNR-UHFFFAOYSA-N 0 0 440.935 4.474 50 0 IIAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)NCc4ccc(Cl)cc4)c3s2)C1 ZINC000035533652 524248925 /nfs/dbraw/zinc/24/89/25/524248925.db2.gz BSEFYNRCHYCJQB-CYBMUJFWSA-N 0 0 448.017 4.385 50 0 IIAARN COc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1Cl ZINC000035848243 524300184 /nfs/dbraw/zinc/30/01/84/524300184.db2.gz JXNOPRYFFUUOHH-UHFFFAOYSA-N 0 0 428.945 4.311 50 0 IIAARN COc1ccccc1-n1c2nc(-c3cn(C)nc3C)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605205 524301593 /nfs/dbraw/zinc/30/15/93/524301593.db2.gz JQPCENBQUCUKID-UHFFFAOYSA-N 0 0 429.452 4.098 50 0 IIAARN C[C@H](CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021861895 524312029 /nfs/dbraw/zinc/31/20/29/524312029.db2.gz OOFQGISFLCPIRL-DWXRJYCRSA-N 0 0 430.552 4.113 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c(C)c1 ZINC000015783969 524319325 /nfs/dbraw/zinc/31/93/25/524319325.db2.gz MHIKPTRBDRJAPO-UHFFFAOYSA-N 0 0 444.557 4.043 50 0 IIAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCc3ccccn3)cc2)cc1 ZINC000034675897 524351465 /nfs/dbraw/zinc/35/14/65/524351465.db2.gz GUAIUQOELKTPPR-UHFFFAOYSA-N 0 0 427.548 4.235 50 0 IIAARN COc1ccccc1C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000022784937 524354517 /nfs/dbraw/zinc/35/45/17/524354517.db2.gz NFSDPKKDKLLNMX-NLFFAJNJSA-N 0 0 449.620 4.434 50 0 IIAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000012584926 524354895 /nfs/dbraw/zinc/35/48/95/524354895.db2.gz AMGIPHJCVYOUDU-MRXNPFEDSA-N 0 0 429.567 4.104 50 0 IIAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cccc(N3CCOCC3)c2)c1 ZINC000011937484 524358521 /nfs/dbraw/zinc/35/85/21/524358521.db2.gz VUTPZVKKLWZNEK-DEOSSOPVSA-N 0 0 430.552 4.133 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3)ccc2O[C@H](C)C1=O ZINC000035884816 524411331 /nfs/dbraw/zinc/41/13/31/524411331.db2.gz OURFKXJYVQHXRO-GOSISDBHSA-N 0 0 430.504 4.300 50 0 IIAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@@H](C)C1=O ZINC000035884798 524412475 /nfs/dbraw/zinc/41/24/75/524412475.db2.gz LEGGDQIZWJRSIR-KRWDZBQOSA-N 0 0 448.494 4.439 50 0 IIAARN COc1ccccc1CNC(=O)CCc1nc(-c2ccc(N3CCC(C)CC3)cc2)no1 ZINC000033283454 524461912 /nfs/dbraw/zinc/46/19/12/524461912.db2.gz JTUIAJJAVYKIRK-UHFFFAOYSA-N 0 0 434.540 4.231 50 0 IIAARN COc1ccc(NC(=O)CCC2CCN(C(=O)[C@@H](OC)c3ccccc3)CC2)c(OC)c1 ZINC000012387141 524476252 /nfs/dbraw/zinc/47/62/52/524476252.db2.gz KFKPTBPXPJZGRG-DEOSSOPVSA-N 0 0 440.540 4.049 50 0 IIAARN COc1ccc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c(OC)c1 ZINC000015735962 524477986 /nfs/dbraw/zinc/47/79/86/524477986.db2.gz DTKILKQVTLUOAB-UHFFFAOYSA-N 0 0 433.512 4.275 50 0 IIAARN COc1ccc(NC(=O)CC[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c(C)c1 ZINC000012711681 524483547 /nfs/dbraw/zinc/48/35/47/524483547.db2.gz USYPMTJNQGEMFI-HXUWFJFHSA-N 0 0 444.597 4.440 50 0 IIAARN COc1ccccc1CNC(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@H]2C(F)F ZINC000012845141 524485863 /nfs/dbraw/zinc/48/58/63/524485863.db2.gz MQFNHQFKKKUHIP-OALUTQOASA-N 0 0 426.467 4.493 50 0 IIAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000001061688 524500260 /nfs/dbraw/zinc/50/02/60/524500260.db2.gz MZNJXZDQDUYAJS-UHFFFAOYSA-N 0 0 446.942 4.048 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328890 524508938 /nfs/dbraw/zinc/50/89/38/524508938.db2.gz GBJMENSLOZBIQG-UHFFFAOYSA-N 0 0 429.505 4.254 50 0 IIAARN COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)cc1 ZINC000012901963 524524164 /nfs/dbraw/zinc/52/41/64/524524164.db2.gz XAKYWHKUYYLCIZ-UHFFFAOYSA-N 0 0 437.492 4.403 50 0 biogenic IIAARN COc1ccccc1N1C(=S)N[C@@H](c2ccc(OC(F)F)cc2)C(C(=O)N(C)C)=C1C ZINC000012557350 524534737 /nfs/dbraw/zinc/53/47/37/524534737.db2.gz XCPUEDOHKNAQPG-IBGZPJMESA-N 0 0 447.507 4.095 50 0 IIAARN Cc1cccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)CC2)c1 ZINC000012564793 524545737 /nfs/dbraw/zinc/54/57/37/524545737.db2.gz NJVCRKMKGRNNIE-IBGZPJMESA-N 0 0 449.498 4.166 50 0 IIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012344808 524556890 /nfs/dbraw/zinc/55/68/90/524556890.db2.gz SBZDOHLWSXOYBJ-QFIPXVFZSA-N 0 0 437.496 4.160 50 0 IIAARN COc1ccccc1N1CCN(c2ccc(-c3ccc(Br)cc3)nn2)CC1 ZINC000020723919 524561201 /nfs/dbraw/zinc/56/12/01/524561201.db2.gz WMLRZLUEIALCDG-UHFFFAOYSA-N 0 0 425.330 4.241 50 0 IIAARN COc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1OC ZINC000021100745 524569624 /nfs/dbraw/zinc/56/96/24/524569624.db2.gz WROYKSAYEUHMLV-UHFFFAOYSA-N 0 0 431.496 4.310 50 0 IIAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1C ZINC000012764809 524590661 /nfs/dbraw/zinc/59/06/61/524590661.db2.gz OGJJXDVUIMOJAX-UHFFFAOYSA-N 0 0 444.507 4.214 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(OC)c1 ZINC000012795030 524594369 /nfs/dbraw/zinc/59/43/69/524594369.db2.gz ISRAMFWTLWGCOD-QGZVFWFLSA-N 0 0 448.519 4.357 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1OC ZINC000022483746 524594464 /nfs/dbraw/zinc/59/44/64/524594464.db2.gz PWTZMXNNJUNISY-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1OC ZINC000035398271 524594592 /nfs/dbraw/zinc/59/45/92/524594592.db2.gz FKAFUJXQPWDESR-LJQANCHMSA-N 0 0 432.524 4.324 50 0 IIAARN Cc1cccc(NC(=O)CN2N=C(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)c1 ZINC000021942456 524595087 /nfs/dbraw/zinc/59/50/87/524595087.db2.gz FZLSIYNYCWYKGU-UHFFFAOYSA-N 0 0 439.924 4.044 50 0 IIAARN COc1ccccc1NC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012801008 524602154 /nfs/dbraw/zinc/60/21/54/524602154.db2.gz YKHLUXKSXIKJBW-FQEVSTJZSA-N 0 0 444.940 4.397 50 0 IIAARN COc1ccccc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000023126786 524606311 /nfs/dbraw/zinc/60/63/11/524606311.db2.gz FHHMFLCKUNIEAN-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN COc1ccc(Nc2ccc(NC(=O)CCn3cnc4c(C)cccc4c3=O)cc2)cc1 ZINC000012550517 524716363 /nfs/dbraw/zinc/71/63/63/524716363.db2.gz LKNRBKYHYKVVME-UHFFFAOYSA-N 0 0 428.492 4.486 50 0 IIAARN COc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc(N3CCOCC3)n2)cc1 ZINC000012235171 524718962 /nfs/dbraw/zinc/71/89/62/524718962.db2.gz PQFKFPJPGSZZKJ-UHFFFAOYSA-N 0 0 426.908 4.166 50 0 IIAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 ZINC000016349827 524719441 /nfs/dbraw/zinc/71/94/41/524719441.db2.gz VGHDUHBBEIULDA-UHFFFAOYSA-N 0 0 443.547 4.283 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000021162172 524730540 /nfs/dbraw/zinc/73/05/40/524730540.db2.gz OIUPTNFVWSAMPT-UHFFFAOYSA-N 0 0 437.975 4.090 50 0 IIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)sc2C1 ZINC000040130964 524732855 /nfs/dbraw/zinc/73/28/55/524732855.db2.gz DHPYADPODCPFAK-OAHLLOKOSA-N 0 0 426.563 4.494 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)C(C)C ZINC000035948466 524806465 /nfs/dbraw/zinc/80/64/65/524806465.db2.gz VWCMAPKNBCKYJS-HXUWFJFHSA-N 0 0 427.932 4.141 50 0 IIAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051622 524817582 /nfs/dbraw/zinc/81/75/82/524817582.db2.gz JNYFELIATXWQEV-RPWUZVMVSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1ccc(F)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000012852410 524825468 /nfs/dbraw/zinc/82/54/68/524825468.db2.gz IYPWLDXZQYQRRK-SANMLTNESA-N 0 0 443.478 4.252 50 0 IIAARN COc1ccc(OC)c(CNC(=O)CCc2ccc3nc(NC(=O)C(C)C)sc3c2)c1 ZINC000021353309 524830827 /nfs/dbraw/zinc/83/08/27/524830827.db2.gz OMHLWQPLAARLKV-UHFFFAOYSA-N 0 0 441.553 4.157 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000012429601 524925169 /nfs/dbraw/zinc/92/51/69/524925169.db2.gz DXUGFHPMWKFHAO-UHFFFAOYSA-N 0 0 436.552 4.056 50 0 IIAARN COc1ccc(OCC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000035528372 524928275 /nfs/dbraw/zinc/92/82/75/524928275.db2.gz WKFQGZBSZDZSOU-UHFFFAOYSA-N 0 0 427.888 4.184 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851038 524930309 /nfs/dbraw/zinc/93/03/09/524930309.db2.gz ZZGQFSWMZXRWEX-VWLOTQADSA-N 0 0 432.524 4.320 50 0 IIAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000035806631 524959551 /nfs/dbraw/zinc/95/95/51/524959551.db2.gz VCNZDDUGMFURNM-UHFFFAOYSA-N 0 0 432.411 4.063 50 0 IIAARN C[C@H](NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccc2c(c1)OCO2 ZINC000012461861 524965746 /nfs/dbraw/zinc/96/57/46/524965746.db2.gz RKJPUUZCNSUBGS-INIZCTEOSA-N 0 0 446.503 4.267 50 0 IIAARN Cc1cccc2c1ncn(CC(=O)NC[C@@H]1CC3c4ccccc4C1c1ccccc13)c2=O ZINC000022878828 524967145 /nfs/dbraw/zinc/96/71/45/524967145.db2.gz AROBWRWRQNDCAT-UBSBWAOCSA-N 0 0 435.527 4.118 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl ZINC000012567038 524978161 /nfs/dbraw/zinc/97/81/61/524978161.db2.gz BOBYQHJFBLYVTQ-CMPLNLGQSA-N 0 0 447.413 4.405 50 0 IIAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1F ZINC000022908287 525005092 /nfs/dbraw/zinc/00/50/92/525005092.db2.gz OQZPDKDJLLUQSK-NRFANRHFSA-N 0 0 437.540 4.050 50 0 IIAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000012419086 525012664 /nfs/dbraw/zinc/01/26/64/525012664.db2.gz NSABTWQRSWBEKH-HZPDHXFCSA-N 0 0 430.501 4.236 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OC(F)F)c(C)c1 ZINC000020754830 525021945 /nfs/dbraw/zinc/02/19/45/525021945.db2.gz VNUIDZLQZLHAMT-IBGZPJMESA-N 0 0 425.439 4.424 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000014374945 525024474 /nfs/dbraw/zinc/02/44/74/525024474.db2.gz RLVRKPXIJHPXQB-UHFFFAOYSA-N 0 0 443.352 4.429 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000015391247 525028010 /nfs/dbraw/zinc/02/80/10/525028010.db2.gz HMCROOALVYKCNH-QGZVFWFLSA-N 0 0 436.961 4.229 50 0 IIAARN Cc1ccccc1-n1ccnc1SCC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000012540679 525031579 /nfs/dbraw/zinc/03/15/79/525031579.db2.gz UXGPAKXHBPQYER-UHFFFAOYSA-N 0 0 431.565 4.176 50 0 IIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000012447842 525060427 /nfs/dbraw/zinc/06/04/27/525060427.db2.gz UCWCCWQVGPZHOF-VWLOTQADSA-N 0 0 448.906 4.094 50 0 IIAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000012543311 525062658 /nfs/dbraw/zinc/06/26/58/525062658.db2.gz LVJIZYNVZOGYNF-HRNYAPDYSA-N 0 0 441.597 4.149 50 0 IIAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccc(Cl)c1 ZINC000012920245 525070022 /nfs/dbraw/zinc/07/00/22/525070022.db2.gz VHZPIUTXCWBSAP-MRXNPFEDSA-N 0 0 447.000 4.107 50 0 IIAARN C[C@@H]1CN(c2ncc(C(=O)OCc3ccc(Cl)cc3)c(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000001026988 525074596 /nfs/dbraw/zinc/07/45/96/525074596.db2.gz RAPVCYBZOYLOJB-VXGBXAGGSA-N 0 0 429.826 4.119 50 0 IIAARN Cc1cc(N2CCN(CC(=O)Nc3c(Cl)ccc(C)c3Cl)CC2)nc(C(C)C)n1 ZINC000012772564 525080552 /nfs/dbraw/zinc/08/05/52/525080552.db2.gz KZNIFOGUCWZOBG-UHFFFAOYSA-N 0 0 436.387 4.284 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)c(Cl)c1 ZINC000035535314 525104654 /nfs/dbraw/zinc/10/46/54/525104654.db2.gz MWPLPQIZAKHKJK-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)c(C)c1 ZINC000035425106 525107661 /nfs/dbraw/zinc/10/76/61/525107661.db2.gz QYYJCJRNEKHKRA-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc21 ZINC000021598968 525137414 /nfs/dbraw/zinc/13/74/14/525137414.db2.gz VDNGVVYJVJMUJI-FUHWJXTLSA-N 0 0 428.579 4.179 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1cccnc1 ZINC000021862944 525198370 /nfs/dbraw/zinc/19/83/70/525198370.db2.gz LJDKCPBUFVQDMP-RUZDIDTESA-N 0 0 432.524 4.007 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000021862082 525199776 /nfs/dbraw/zinc/19/97/76/525199776.db2.gz SMWNDWAMAVALED-HHHXNRCGSA-N 0 0 444.579 4.333 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021865954 525213833 /nfs/dbraw/zinc/21/38/33/525213833.db2.gz YKSBWARMNYTDRB-HNNXBMFYSA-N 0 0 435.446 4.196 50 0 IIAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CSCCc3ccccc3)n2)cc1 ZINC000022875615 525216486 /nfs/dbraw/zinc/21/64/86/525216486.db2.gz HFXNFZWUVPURPA-UHFFFAOYSA-N 0 0 447.607 4.096 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441775 525231455 /nfs/dbraw/zinc/23/14/55/525231455.db2.gz OQRIYDBGNQUPKA-SFHVURJKSA-N 0 0 443.532 4.296 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C(C)C)cc1 ZINC000035945814 525241144 /nfs/dbraw/zinc/24/11/44/525241144.db2.gz KKWNVFVHGUJGEY-NRFANRHFSA-N 0 0 427.932 4.141 50 0 IIAARN CS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1 ZINC000012185451 525243804 /nfs/dbraw/zinc/24/38/04/525243804.db2.gz UTSIBAMPMIBEAJ-IBGZPJMESA-N 0 0 444.578 4.493 50 0 IIAARN Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012536105 525247353 /nfs/dbraw/zinc/24/73/53/525247353.db2.gz XYDYEUQEWNFHCC-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452814 525250752 /nfs/dbraw/zinc/25/07/52/525250752.db2.gz UGGMDVUBGBRMPV-VWLOTQADSA-N 0 0 443.547 4.401 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NCCc4ccccc4)C3)s2)cc1 ZINC000033113351 525261391 /nfs/dbraw/zinc/26/13/91/525261391.db2.gz HULPCYBTNSVRRF-LJQANCHMSA-N 0 0 449.580 4.231 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2Cl)c1 ZINC000012780549 525269973 /nfs/dbraw/zinc/26/99/73/525269973.db2.gz SDNCLMOCYFEWHP-CQSZACIVSA-N 0 0 432.929 4.291 50 0 IIAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000012749566 525275101 /nfs/dbraw/zinc/27/51/01/525275101.db2.gz LVCVAXAWTJLIEY-UHFFFAOYSA-N 0 0 440.468 4.409 50 0 IIAARN CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2c2nccs2)n1CCCc1ccccc1 ZINC000012447248 525283268 /nfs/dbraw/zinc/28/32/68/525283268.db2.gz UKDYNBBIVPWLES-HXUWFJFHSA-N 0 0 444.626 4.103 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000021292847 525299945 /nfs/dbraw/zinc/29/99/45/525299945.db2.gz XXXNQVWNJSXLQW-UHFFFAOYSA-N 0 0 428.539 4.085 50 0 IIAARN Cc1ccccc1OCc1nc2c3cnn(-c4cccc(Br)c4)c3ncn2n1 ZINC000021168143 525317716 /nfs/dbraw/zinc/31/77/16/525317716.db2.gz VHQSNLZKLQXAMV-UHFFFAOYSA-N 0 0 435.285 4.113 50 0 IIAARN Cc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c[nH]1 ZINC000012799657 525356522 /nfs/dbraw/zinc/35/65/22/525356522.db2.gz KGFXFXWMPRLZGC-MSOLQXFVSA-N 0 0 425.554 4.162 50 0 IIAARN COc1ccc([C@H](CNC(=O)Nc2cccc3ccccc32)N2CCOCC2)cc1OC ZINC000022893562 525357452 /nfs/dbraw/zinc/35/74/52/525357452.db2.gz VLGRMWOHCSSUNL-QFIPXVFZSA-N 0 0 435.524 4.052 50 0 IIAARN COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCC2)cc1 ZINC000012748199 525359666 /nfs/dbraw/zinc/35/96/66/525359666.db2.gz NCLRVETXJBFSPC-VWLOTQADSA-N 0 0 428.532 4.493 50 0 IIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)C1 ZINC000239415198 525387057 /nfs/dbraw/zinc/38/70/57/525387057.db2.gz TZGKMSQFCKBARW-IXFSTUDKSA-N 0 0 426.582 4.161 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035961485 525406304 /nfs/dbraw/zinc/40/63/04/525406304.db2.gz HGRLAAHZMONUPI-HSZRJFAPSA-N 0 0 437.515 4.161 50 0 IIAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3N2)cc1OC ZINC000012846770 525426674 /nfs/dbraw/zinc/42/66/74/525426674.db2.gz ZKGQFIBTJCMIIB-RDTXWAMCSA-N 0 0 438.450 4.187 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C ZINC000012615442 525440320 /nfs/dbraw/zinc/44/03/20/525440320.db2.gz ZOHTYVYHPKLTOZ-IFXJQAMLSA-N 0 0 434.521 4.481 50 0 IIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000065476494 525445148 /nfs/dbraw/zinc/44/51/48/525445148.db2.gz ZGQLHZUINIQIQU-CQSZACIVSA-N 0 0 440.475 4.206 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4cc(Br)ccc43)c2c1 ZINC000020761319 525491918 /nfs/dbraw/zinc/49/19/18/525491918.db2.gz CQXRXHAHRQAVFM-UHFFFAOYSA-N 0 0 426.314 4.253 50 0 biogenic IIAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000020738099 525494637 /nfs/dbraw/zinc/49/46/37/525494637.db2.gz OLKQNZMRERSITE-FQEVSTJZSA-N 0 0 434.323 4.431 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(F)cc1C ZINC000020597783 525513074 /nfs/dbraw/zinc/51/30/74/525513074.db2.gz YARYUCBBNUDURN-UHFFFAOYSA-N 0 0 428.880 4.447 50 0 IIAARN Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c(C)c1 ZINC000012824072 525513314 /nfs/dbraw/zinc/51/33/14/525513314.db2.gz UWQJJFLAHKENRS-UHFFFAOYSA-N 0 0 438.549 4.180 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@@H](c3cccs3)C(C)C)CC2)cc1 ZINC000032973997 525521962 /nfs/dbraw/zinc/52/19/62/525521962.db2.gz LYQOBVHRYHWNSW-JOCHJYFZSA-N 0 0 434.627 4.361 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000012529990 525526846 /nfs/dbraw/zinc/52/68/46/525526846.db2.gz VEQXRFZIOPMNQG-UHFFFAOYSA-N 0 0 449.576 4.459 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3csc(C)n3)cc2)s1 ZINC000012923516 525537901 /nfs/dbraw/zinc/53/79/01/525537901.db2.gz AQQSFLYRMMUABK-SFHVURJKSA-N 0 0 447.607 4.280 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(C)cc3C)CC1)c1cccn1-2 ZINC000035399356 525553813 /nfs/dbraw/zinc/55/38/13/525553813.db2.gz OINHDMDYHCONNW-UHFFFAOYSA-N 0 0 437.565 4.208 50 0 biogenic IIAARN Cc1c(C(=O)NCc2cccs2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000012191644 525629372 /nfs/dbraw/zinc/62/93/72/525629372.db2.gz IGRAWXISOQSJTN-UHFFFAOYSA-N 0 0 438.534 4.332 50 0 IIAARN Cc1c(C(=O)NCc2ccccc2Br)sc2ncnc(N3CCCC3)c12 ZINC000021717154 525630077 /nfs/dbraw/zinc/63/00/77/525630077.db2.gz JXVIOBSLYIOHKD-UHFFFAOYSA-N 0 0 431.359 4.292 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cccc(F)c2)c2ccccc23)cc1 ZINC000020356019 525636298 /nfs/dbraw/zinc/63/62/98/525636298.db2.gz WOXYKCKDVLOHMD-UHFFFAOYSA-N 0 0 433.468 4.301 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C3=O ZINC000021857564 525642475 /nfs/dbraw/zinc/64/24/75/525642475.db2.gz DKRDDIFPQOBUHP-SANMLTNESA-N 0 0 431.536 4.436 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(F)cc1)C3=O ZINC000021527517 525643508 /nfs/dbraw/zinc/64/35/08/525643508.db2.gz SACZMCVSECBNTK-VWLOTQADSA-N 0 0 435.499 4.267 50 0 IIAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000008609827 534876552 /nfs/dbraw/zinc/87/65/52/534876552.db2.gz ZPWLTWGUTNPGCV-UHFFFAOYSA-N 0 0 436.537 4.137 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccccc1OC)C3=O ZINC000021857580 525644708 /nfs/dbraw/zinc/64/47/08/525644708.db2.gz NRTNQVCZORLOSF-AREMUKBSSA-N 0 0 447.535 4.136 50 0 IIAARN Cc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012584161 525656846 /nfs/dbraw/zinc/65/68/46/525656846.db2.gz VLAFZIVJMCCTIK-UHFFFAOYSA-N 0 0 438.553 4.177 50 0 IIAARN Cc1ccc(SCCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1C ZINC000022020413 525660701 /nfs/dbraw/zinc/66/07/01/525660701.db2.gz VSNDRJBCDSAZEQ-UHFFFAOYSA-N 0 0 429.563 4.392 50 0 IIAARN COc1ccc2[nH]c(SCC(=O)Nc3ccnn3Cc3ccccc3Cl)nc2c1 ZINC000012802518 525679669 /nfs/dbraw/zinc/67/96/69/525679669.db2.gz DXZDWUFQDHWYME-UHFFFAOYSA-N 0 0 427.917 4.201 50 0 IIAARN Cc1cc2oc(=O)c(CC(=O)N3CCN(C)CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000020622554 525689786 /nfs/dbraw/zinc/68/97/86/525689786.db2.gz ONVNVFTYHLYGLV-UHFFFAOYSA-N 0 0 430.504 4.140 50 0 IIAARN COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cccc(OC)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616444 525702752 /nfs/dbraw/zinc/70/27/52/525702752.db2.gz QDXJYQGGCOXDNK-HNNXBMFYSA-N 0 0 430.508 4.452 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)c(C)c3)n2)c1 ZINC000021726776 525718599 /nfs/dbraw/zinc/71/85/99/525718599.db2.gz DKWOJKXBJGHWRV-HXUWFJFHSA-N 0 0 440.507 4.132 50 0 IIAARN COc1cccc(-c2nc(SCC(=O)NCc3ccco3)nc3sc(C)nc32)c1 ZINC000035682636 525727570 /nfs/dbraw/zinc/72/75/70/525727570.db2.gz RKADANPUIIWIJZ-UHFFFAOYSA-N 0 0 426.523 4.072 50 0 IIAARN COc1cccc(-n2cnnc2SCC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000012558522 525753319 /nfs/dbraw/zinc/75/33/19/525753319.db2.gz COUALICDWMBIJW-UHFFFAOYSA-N 0 0 434.521 4.190 50 0 IIAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)C3CC3)C3CC3)n2)cc1 ZINC000036051320 525765196 /nfs/dbraw/zinc/76/51/96/525765196.db2.gz SDLCTDQYKOCFNE-UHFFFAOYSA-N 0 0 428.536 4.496 50 0 IIAARN Cc1ccc(-c2nc(C(=O)NCC(=O)Nc3ccccc3Br)cs2)cc1 ZINC000012781883 525800282 /nfs/dbraw/zinc/80/02/82/525800282.db2.gz SZIMZIMUGQRANK-UHFFFAOYSA-N 0 0 430.327 4.250 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)c1 ZINC000016960280 525833665 /nfs/dbraw/zinc/83/36/65/525833665.db2.gz GVWNNMDAWMRTGQ-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962156 525856979 /nfs/dbraw/zinc/85/69/79/525856979.db2.gz XIOGNMWQSOGKGV-OAQYLSRUSA-N 0 0 427.932 4.141 50 0 IIAARN COc1cccc(C=C(C(=O)Nc2ccccc2OC)C(=O)Nc2ccccc2OC)c1 ZINC000016441787 525863363 /nfs/dbraw/zinc/86/33/63/525863363.db2.gz KCDHCWCUVWAUTF-UHFFFAOYSA-N 0 0 432.476 4.373 50 0 IIAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000035961829 525873502 /nfs/dbraw/zinc/87/35/02/525873502.db2.gz QPUACMZSQIBARD-KRWDZBQOSA-N 0 0 427.526 4.365 50 0 IIAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)n2)cc1 ZINC000012759780 525877991 /nfs/dbraw/zinc/87/79/91/525877991.db2.gz YEHYIYYHFZMHBY-UHFFFAOYSA-N 0 0 431.323 4.310 50 0 IIAARN Cc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C3CC3)OCO5)n2)cc1 ZINC000033279789 525882365 /nfs/dbraw/zinc/88/23/65/525882365.db2.gz PPXVASNNVVUWPS-UHFFFAOYSA-N 0 0 434.477 4.111 50 0 IIAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000035319334 525886998 /nfs/dbraw/zinc/88/69/98/525886998.db2.gz NZQJAIQJWOTGBL-QGZVFWFLSA-N 0 0 448.342 4.333 50 0 IIAARN C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009816431 525890515 /nfs/dbraw/zinc/89/05/15/525890515.db2.gz PBIUUAYSQKGXMN-ZDUSSCGKSA-N 0 0 437.473 4.263 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000022299645 525924970 /nfs/dbraw/zinc/92/49/70/525924970.db2.gz TVFPEFWPQWMCHJ-FRRDWIJNSA-N 0 0 444.384 4.465 50 0 IIAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000035536878 525925778 /nfs/dbraw/zinc/92/57/78/525925778.db2.gz JNMXHWVJTWZIOH-FQEVSTJZSA-N 0 0 438.531 4.413 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021780706 525930078 /nfs/dbraw/zinc/93/00/78/525930078.db2.gz NEJQDAXQXPDFQR-RUZDIDTESA-N 0 0 435.524 4.107 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)Nc3ccccc3F)C1)nnc2C ZINC000020564792 525938324 /nfs/dbraw/zinc/93/83/24/525938324.db2.gz APWTVIHSGCGDTC-GOSISDBHSA-N 0 0 444.514 4.427 50 0 IIAARN Cc1cn2c(nc(COc3ccc(NC(=O)CSc4ccccc4)cc3)cc2=O)s1 ZINC000041085597 525942063 /nfs/dbraw/zinc/94/20/63/525942063.db2.gz YPZKHOBUNPMMOJ-UHFFFAOYSA-N 0 0 437.546 4.374 50 0 IIAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000012761850 525955957 /nfs/dbraw/zinc/95/59/57/525955957.db2.gz DIBCLUANGXLKMH-UHFFFAOYSA-N 0 0 434.471 4.197 50 0 IIAARN Cc1ccc(C=Cc2nc(S[C@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)n[nH]2)o1 ZINC000012843584 525957188 /nfs/dbraw/zinc/95/71/88/525957188.db2.gz XUVKWVYQPFPWIG-GCZGRYASSA-N 0 0 437.525 4.121 50 0 IIAARN COc1cccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4)ccc3O[C@@H](C)C2=O)c1 ZINC000035909251 525960233 /nfs/dbraw/zinc/96/02/33/525960233.db2.gz AWHREKCWXVKCRE-INIZCTEOSA-N 0 0 434.467 4.396 50 0 IIAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000012464394 525987245 /nfs/dbraw/zinc/98/72/45/525987245.db2.gz BMKDYTGZBSBRMW-GOSISDBHSA-N 0 0 438.578 4.227 50 0 IIAARN C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012550662 526006845 /nfs/dbraw/zinc/00/68/45/526006845.db2.gz ZSNPXUKDNBFYIR-INIZCTEOSA-N 0 0 442.972 4.482 50 0 IIAARN 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O=C(NCc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596979 526659103 /nfs/dbraw/zinc/65/91/03/526659103.db2.gz GLHREJWRAGBDOO-INIZCTEOSA-N 0 0 440.887 4.208 50 0 IIAARN O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000035893956 526674088 /nfs/dbraw/zinc/67/40/88/526674088.db2.gz FNWMLQXHJGTVNO-ZCYQVOJMSA-N 0 0 433.502 4.149 50 0 IIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](c4nnc5ccccn54)C3)c12 ZINC000032888487 526677821 /nfs/dbraw/zinc/67/78/21/526677821.db2.gz YQSWZMNCALUDFU-HNNXBMFYSA-N 0 0 444.520 4.322 50 0 IIAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(F)cc1Cl ZINC000020574602 526684703 /nfs/dbraw/zinc/68/47/03/526684703.db2.gz QVGQYSIHKHNZAY-UHFFFAOYSA-N 0 0 430.798 4.012 50 0 IIAARN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(Br)cc1 ZINC000041253756 526688896 /nfs/dbraw/zinc/68/88/96/526688896.db2.gz WVAMMVHTCXVXSK-UHFFFAOYSA-N 0 0 446.732 4.033 50 0 IIAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013128353 526707110 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/nfs/dbraw/zinc/07/20/90/537072090.db2.gz YARMRPHTKHLTCY-UHFFFAOYSA-N 0 0 441.539 4.115 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(Cl)cc2)cc1 ZINC000000634835 555516711 /nfs/dbraw/zinc/51/67/11/555516711.db2.gz QYFLWBFZGKKPPB-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000000638278 555517538 /nfs/dbraw/zinc/51/75/38/555517538.db2.gz WSOTTZGZGAVSJU-UHFFFAOYSA-N 0 0 449.532 4.182 50 0 IIAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000000645908 555520769 /nfs/dbraw/zinc/52/07/69/555520769.db2.gz NEDQOEZFXSNAOK-IBGZPJMESA-N 0 0 433.552 4.303 50 0 IIAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1C ZINC000000649961 555522486 /nfs/dbraw/zinc/52/24/86/555522486.db2.gz CTUMLZUMHKVSKR-UHFFFAOYSA-N 0 0 440.569 4.258 50 0 IIAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(COc3ccccc3Br)o2)N1 ZINC000000653431 555523813 /nfs/dbraw/zinc/52/38/13/555523813.db2.gz RSPDQXYSEKLWOT-MRXNPFEDSA-N 0 0 447.207 4.094 50 0 IIAARN O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1I ZINC000000655537 555524807 /nfs/dbraw/zinc/52/48/07/555524807.db2.gz IKNJMRVYVUXVNO-GFCCVEGCSA-N 0 0 425.653 4.067 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000000672663 555531833 /nfs/dbraw/zinc/53/18/33/555531833.db2.gz PYGVESPPCAATHH-UHFFFAOYSA-N 0 0 440.521 4.130 50 0 IIAARN O=C(COc1ccccc1Cl)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000678394 555536117 /nfs/dbraw/zinc/53/61/17/555536117.db2.gz KKQFNDVIGOLYTG-UHFFFAOYSA-N 0 0 438.896 4.435 50 0 IIAARN O=C(NCc1ccccc1)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 ZINC000000679770 555537175 /nfs/dbraw/zinc/53/71/75/555537175.db2.gz MQEAULFNSNXLIE-UHFFFAOYSA-N 0 0 431.883 4.103 50 0 IIAARN COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000000682187 555538027 /nfs/dbraw/zinc/53/80/27/555538027.db2.gz MQHPULOKDSYEDC-UHFFFAOYSA-N 0 0 438.432 4.159 50 0 biogenic IIAARN CSc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1 ZINC000000687385 555540438 /nfs/dbraw/zinc/54/04/38/555540438.db2.gz KOQUUJUNGYHCEB-UHFFFAOYSA-N 0 0 440.381 4.418 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3N)oc21 ZINC000000687536 555540765 /nfs/dbraw/zinc/54/07/65/555540765.db2.gz DGSJZTDFXQPVCR-UHFFFAOYSA-N 0 0 437.525 4.268 50 0 IIAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CCCC2 ZINC000000711404 555547422 /nfs/dbraw/zinc/54/74/22/555547422.db2.gz IENRDYPFLABBLW-FMIVXFBMSA-N 0 0 432.542 4.469 50 0 IIAARN Cc1cccc(Nc2nc3nonc3nc2Nc2ccccc2I)c1 ZINC000000714218 555547965 /nfs/dbraw/zinc/54/79/65/555547965.db2.gz GLQMQYQAMAGHBR-UHFFFAOYSA-N 0 0 444.236 4.413 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccnc2)cc1 ZINC000000796443 555558366 /nfs/dbraw/zinc/55/83/66/555558366.db2.gz SRLUHXWXXJQHIG-UHFFFAOYSA-N 0 0 435.484 4.208 50 0 IIAARN CCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000817022 555563065 /nfs/dbraw/zinc/56/30/65/555563065.db2.gz HZNIJFIATBTVER-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(I)cc1 ZINC000000817406 555563116 /nfs/dbraw/zinc/56/31/16/555563116.db2.gz YAECWTKJMQIDPE-UHFFFAOYSA-N 0 0 440.244 4.277 50 0 IIAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000000821429 555563931 /nfs/dbraw/zinc/56/39/31/555563931.db2.gz VVRLEZGNMWCFAB-KRWDZBQOSA-N 0 0 440.521 4.281 50 0 IIAARN CSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1-2 ZINC000000822567 555564189 /nfs/dbraw/zinc/56/41/89/555564189.db2.gz QVXUXSWUBBEVPK-INIZCTEOSA-N 0 0 445.298 4.255 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3n2)cc1 ZINC000000825526 555564762 /nfs/dbraw/zinc/56/47/62/555564762.db2.gz NTVPNMFKAGPNSP-UHFFFAOYSA-N 0 0 428.370 4.382 50 0 IIAARN O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1)C(F)(F)F ZINC000000838322 555567424 /nfs/dbraw/zinc/56/74/24/555567424.db2.gz UXIQMHRSKWXFJV-UHFFFAOYSA-N 0 0 442.349 4.486 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000000840662 555567898 /nfs/dbraw/zinc/56/78/98/555567898.db2.gz XONHOTSZNKIAGP-UHFFFAOYSA-N 0 0 438.505 4.086 50 0 IIAARN COc1cc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl ZINC000000851370 555570479 /nfs/dbraw/zinc/57/04/79/555570479.db2.gz LSCGCEQFJXQDNM-QGZVFWFLSA-N 0 0 430.888 4.007 50 0 IIAARN CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3=O)sc2c1 ZINC000000869139 555574664 /nfs/dbraw/zinc/57/46/64/555574664.db2.gz JDZALISVOYWRML-GOSISDBHSA-N 0 0 444.534 4.136 50 0 IIAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1 ZINC000000882136 555577660 /nfs/dbraw/zinc/57/76/60/555577660.db2.gz YMZDAFVPWMAGTO-UHFFFAOYSA-N 0 0 431.521 4.173 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC ZINC000000881603 555577705 /nfs/dbraw/zinc/57/77/05/555577705.db2.gz HDENGTSMODNKLK-UHFFFAOYSA-N 0 0 449.532 4.391 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1OC ZINC000000881564 555577748 /nfs/dbraw/zinc/57/77/48/555577748.db2.gz XDUZYUGFWQNLBN-UHFFFAOYSA-N 0 0 449.488 4.344 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000888478 555579455 /nfs/dbraw/zinc/57/94/55/555579455.db2.gz FQUHGAZZMSFERV-UHFFFAOYSA-N 0 0 427.551 4.478 50 0 IIAARN COCc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc23)c1C(=O)OC ZINC000000911342 555582532 /nfs/dbraw/zinc/58/25/32/555582532.db2.gz ABBLCSXVAJZPHU-UHFFFAOYSA-N 0 0 443.452 4.459 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(CC)cc3)cc21 ZINC000000944131 555587704 /nfs/dbraw/zinc/58/77/04/555587704.db2.gz HOXMSFNVGDWEBX-UHFFFAOYSA-N 0 0 429.494 4.222 50 0 IIAARN CCOC(=O)c1c(N[C@H](NC(=O)CC)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000000975802 555591992 /nfs/dbraw/zinc/59/19/92/555591992.db2.gz POEONBFXNYYIEJ-HNNXBMFYSA-N 0 0 427.781 4.438 50 0 IIAARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000000982286 555593627 /nfs/dbraw/zinc/59/36/27/555593627.db2.gz PJYPGOLSBJNQPR-QNKACBJSSA-N 0 0 436.283 4.307 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000000986433 555594942 /nfs/dbraw/zinc/59/49/42/555594942.db2.gz OEAKRUATTXOKMR-UHFFFAOYSA-N 0 0 437.359 4.122 50 0 IIAARN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc(Cl)c1 ZINC000000990757 555596248 /nfs/dbraw/zinc/59/62/48/555596248.db2.gz ZBNFTUZGCZOBCV-MXXWWZHRSA-N 0 0 442.902 4.171 50 0 IIAARN C[C@@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000000999059 555599580 /nfs/dbraw/zinc/59/95/80/555599580.db2.gz CLWBWRGBGCAKRW-PYIKNDFISA-N 0 0 429.903 4.272 50 0 IIAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccccc4F)c3n2)cc1 ZINC000001003192 555600544 /nfs/dbraw/zinc/60/05/44/555600544.db2.gz QGNVISVRVZBLIG-UHFFFAOYSA-N 0 0 426.398 4.412 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)ccc1Cl ZINC000001003967 555600794 /nfs/dbraw/zinc/60/07/94/555600794.db2.gz NOBQRHKWPIBSLU-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Cl)c3C)C2=O)cc1 ZINC000001051842 555613314 /nfs/dbraw/zinc/61/33/14/555613314.db2.gz RCCJXMLLTZYPEM-SFHVURJKSA-N 0 0 432.929 4.051 50 0 IIAARN O=C(NCc1ccccn1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000001059978 555615852 /nfs/dbraw/zinc/61/58/52/555615852.db2.gz YVJUBQSPYDLGOS-UHFFFAOYSA-N 0 0 431.805 4.394 50 0 IIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC(C)C)C2=O)cc1 ZINC000001069950 555620631 /nfs/dbraw/zinc/62/06/31/555620631.db2.gz SKKZNYSLUWOFTQ-FQEVSTJZSA-N 0 0 427.476 4.046 50 0 IIAARN O=C(NC1CCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000001069811 555620636 /nfs/dbraw/zinc/62/06/36/555620636.db2.gz UNEXBJQURORPOU-KBXCAEBGSA-N 0 0 436.434 4.335 50 0 IIAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001087581 555626856 /nfs/dbraw/zinc/62/68/56/555626856.db2.gz MBXGDXOUDQNCJD-HXUWFJFHSA-N 0 0 438.940 4.159 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000001100017 555628747 /nfs/dbraw/zinc/62/87/47/555628747.db2.gz RYNMCNMVILEEMJ-UHFFFAOYSA-N 0 0 427.529 4.457 50 0 IIAARN CCOc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000001112306 555632437 /nfs/dbraw/zinc/63/24/37/555632437.db2.gz PDYAAOOMIFKFCW-UHFFFAOYSA-N 0 0 428.485 4.058 50 0 IIAARN CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000001113557 555632937 /nfs/dbraw/zinc/63/29/37/555632937.db2.gz OIKFHOJRXMEPKO-YVLHZVERSA-N 0 0 434.920 4.486 50 0 IIAARN COc1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000001116473 555634669 /nfs/dbraw/zinc/63/46/69/555634669.db2.gz ARZLOJLEKZQMIA-UHFFFAOYSA-N 0 0 437.732 4.060 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2C)c1 ZINC000001119032 555636157 /nfs/dbraw/zinc/63/61/57/555636157.db2.gz CIJGGNWYMKUROZ-UHFFFAOYSA-N 0 0 432.546 4.127 50 0 IIAARN CCOC(=O)c1ccc(NC(=S)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000001119334 555636464 /nfs/dbraw/zinc/63/64/64/555636464.db2.gz XNEPEQQSPNYZKC-UHFFFAOYSA-N 0 0 449.458 4.331 50 0 IIAARN CCc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1 ZINC000001121153 555637961 /nfs/dbraw/zinc/63/79/61/555637961.db2.gz FOXGWGHEKRBNHP-UHFFFAOYSA-N 0 0 430.476 4.361 50 0 IIAARN COC(=O)c1cc(NC(=O)Nc2ccc(Br)cc2Cl)cc(C(=O)OC)c1 ZINC000001121607 555638214 /nfs/dbraw/zinc/63/82/14/555638214.db2.gz MUOYLMZILMIDPZ-UHFFFAOYSA-N 0 0 441.665 4.320 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000001123438 555639118 /nfs/dbraw/zinc/63/91/18/555639118.db2.gz UOMVRBWQIWSOJO-VIFPVBQESA-N 0 0 437.359 4.304 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1 ZINC000001126009 555640797 /nfs/dbraw/zinc/64/07/97/555640797.db2.gz FGEDQNZAUWLXOU-UHFFFAOYSA-N 0 0 430.570 4.038 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2C)cc1 ZINC000001132420 555645430 /nfs/dbraw/zinc/64/54/30/555645430.db2.gz CGANDZSVURNYFR-UHFFFAOYSA-N 0 0 447.358 4.292 50 0 IIAARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)c1 ZINC000001132325 555645452 /nfs/dbraw/zinc/64/54/52/555645452.db2.gz BTRCQKWBZOAXLP-QGZVFWFLSA-N 0 0 442.581 4.170 50 0 IIAARN 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CC1CCN(c2nc3c(c(N4CCCCC4)n2)CN(C(=O)c2ccc(F)cc2)CC3)CC1 ZINC000034756054 555901414 /nfs/dbraw/zinc/90/14/14/555901414.db2.gz YAZPPWMJRWHCGV-UHFFFAOYSA-N 0 0 437.563 4.041 50 0 IIAARN COc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(C(=O)c1cccc(C)c1)CC2 ZINC000034758771 555903613 /nfs/dbraw/zinc/90/36/13/555903613.db2.gz UBKDTCGFDPREMU-UHFFFAOYSA-N 0 0 444.535 4.385 50 0 IIAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)C=Cc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000034759538 555903796 /nfs/dbraw/zinc/90/37/96/555903796.db2.gz JDJYZUPONZVDNC-RCJYHZQCSA-N 0 0 435.549 4.037 50 0 IIAARN CC(C)N1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)CC1 ZINC000034761688 555904083 /nfs/dbraw/zinc/90/40/83/555904083.db2.gz GXYDGDOWRHXYNN-JWGURIENSA-N 0 0 449.576 4.089 50 0 IIAARN CC(C)(C)c1ccc(OCc2nnc3n2N(Cc2cccc(F)c2F)C(=O)CS3)cc1 ZINC000034810007 555908249 /nfs/dbraw/zinc/90/82/49/555908249.db2.gz RYZURXVFQYZHJI-UHFFFAOYSA-N 0 0 444.507 4.203 50 0 IIAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(S(=O)(=O)c3ccccc3)CC1)=N2 ZINC000034814806 555911369 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IIAARN O=C(NCc1ccncc1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1 ZINC000034910082 555923005 /nfs/dbraw/zinc/92/30/05/555923005.db2.gz HKDOJHIUVLQHOW-UHFFFAOYSA-N 0 0 439.563 4.207 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)N(Cc1ccccc1C)CC2 ZINC000034855670 555924338 /nfs/dbraw/zinc/92/43/38/555924338.db2.gz SIEKSUJOABXSER-OAQYLSRUSA-N 0 0 425.573 4.209 50 0 IIAARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2C)cc2c1OCO2 ZINC000034915784 555930341 /nfs/dbraw/zinc/93/03/41/555930341.db2.gz VGUSJFMWSLPOAQ-LHHJGKSTSA-N 0 0 437.304 4.335 50 0 IIAARN O=C(NCc1ccccc1)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916926 555930564 /nfs/dbraw/zinc/93/05/64/555930564.db2.gz DREJRQFQRWDCNI-OAHLLOKOSA-N 0 0 444.375 4.389 50 0 IIAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccc1F)N2C(=O)c1ccccc1F ZINC000034921031 555931517 /nfs/dbraw/zinc/93/15/17/555931517.db2.gz XUHHTGRNESDEBZ-DLQTWLKSSA-N 0 0 428.479 4.029 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC2=CCCCC2)cc1 ZINC000003464404 555935984 /nfs/dbraw/zinc/93/59/84/555935984.db2.gz WJYFIFYCRMKKCG-UHFFFAOYSA-N 0 0 440.609 4.235 50 0 IIAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004174066 555972609 /nfs/dbraw/zinc/97/26/09/555972609.db2.gz FHWBLNIJWAGGAK-OAQYLSRUSA-N 0 0 426.538 4.190 50 0 IIAARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1OC ZINC000004291161 555983475 /nfs/dbraw/zinc/98/34/75/555983475.db2.gz JSDMGVCTAGRPLG-QFIPXVFZSA-N 0 0 449.511 4.012 50 0 IIAARN CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cc(C)ccc2C)cc1 ZINC000004592824 556003594 /nfs/dbraw/zinc/00/35/94/556003594.db2.gz JSLMGPAJHKRHLG-UHFFFAOYSA-N 0 0 425.481 4.015 50 0 IIAARN CCCCCCn1c(SCc2cccc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000005356216 556047698 /nfs/dbraw/zinc/04/76/98/556047698.db2.gz HVHRQDQWMGSTJW-UHFFFAOYSA-N 0 0 436.581 4.460 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cn1 ZINC000006427553 556087037 /nfs/dbraw/zinc/08/70/37/556087037.db2.gz FUGROFZHIGWNNT-QMMMGPOBSA-N 0 0 437.064 4.399 50 0 IIAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000006491932 556091398 /nfs/dbraw/zinc/09/13/98/556091398.db2.gz BPHONGNNLMPDLF-YBFXNURJSA-N 0 0 445.468 4.013 50 0 IIAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000006765333 556103645 /nfs/dbraw/zinc/10/36/45/556103645.db2.gz QVKVKCWZCWQWFN-HXUWFJFHSA-N 0 0 428.602 4.086 50 0 IIAARN CC[C@@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 ZINC000006874895 556107591 /nfs/dbraw/zinc/10/75/91/556107591.db2.gz ATGNGHHMCJVJNU-QPPBQGQZSA-N 0 0 428.548 4.493 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(OC)cc3)N2C1=O ZINC000002702675 556122694 /nfs/dbraw/zinc/12/26/94/556122694.db2.gz RHVLSJKVGXEHPG-PZJWPPBQSA-N 0 0 436.533 4.477 50 0 IIAARN COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002703747 556123007 /nfs/dbraw/zinc/12/30/07/556123007.db2.gz SFUCPCGZKUXHJI-QGZVFWFLSA-N 0 0 448.700 4.401 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002704008 556123214 /nfs/dbraw/zinc/12/32/14/556123214.db2.gz MYNVTBNYHSGNRC-JOCHJYFZSA-N 0 0 431.419 4.392 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)sc2c1CC[C@@H](C)C2 ZINC000002709906 556124757 /nfs/dbraw/zinc/12/47/57/556124757.db2.gz KYRIJMCBIPDPEW-JCQPUDPBSA-N 0 0 427.522 4.160 50 0 IIAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)cc1 ZINC000002719882 556126217 /nfs/dbraw/zinc/12/62/17/556126217.db2.gz YMBBKCGJEFPFDL-UHFFFAOYSA-N 0 0 439.562 4.010 50 0 IIAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(Cl)c1)N1CCCC1 ZINC000002720892 556127376 /nfs/dbraw/zinc/12/73/76/556127376.db2.gz GBTPWXIMDOZOMW-UHFFFAOYSA-N 0 0 438.940 4.235 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 ZINC000002719734 556131824 /nfs/dbraw/zinc/13/18/24/556131824.db2.gz AJJJWIBKNOOOJG-MRXNPFEDSA-N 0 0 429.611 4.072 50 0 IIAARN S=C1N=NC(c2ccc(COc3ccc(Br)cc3)o2)N1C[C@H]1CCCO1 ZINC000002790257 556139423 /nfs/dbraw/zinc/13/94/23/556139423.db2.gz YHKPFDVINHRGSN-CQSZACIVSA-N 0 0 436.331 4.347 50 0 IIAARN Cn1ncc2c3nc(-c4ccc(COc5ccccc5Br)cc4)nn3cnc21 ZINC000002800598 556142457 /nfs/dbraw/zinc/14/24/57/556142457.db2.gz ZDHQWPAYJUJXKE-UHFFFAOYSA-N 0 0 435.285 4.020 50 0 IIAARN COc1cc(OC)c([C@@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)cc1OC ZINC000002914406 556148672 /nfs/dbraw/zinc/14/86/72/556148672.db2.gz RLIZPCKHRYGBQD-CVEARBPZSA-N 0 0 445.317 4.213 50 0 IIAARN Cc1cc2nnc(SCC(=O)Nc3nsc(-c4ccccc4)n3)n2c2ccccc12 ZINC000002890733 556149497 /nfs/dbraw/zinc/14/94/97/556149497.db2.gz PWPRSFKSUDMTSB-UHFFFAOYSA-N 0 0 432.534 4.440 50 0 IIAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000002905400 556149732 /nfs/dbraw/zinc/14/97/32/556149732.db2.gz XBDIDNJWGRJLHG-AWEZNQCLSA-N 0 0 426.797 4.462 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccs1 ZINC000002971041 556152117 /nfs/dbraw/zinc/15/21/17/556152117.db2.gz SMRRTLMJYXVYDW-UHFFFAOYSA-N 0 0 437.546 4.246 50 0 IIAARN Cc1sc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)nc1-c1ccccc1 ZINC000008384340 556160094 /nfs/dbraw/zinc/16/00/94/556160094.db2.gz XSHSXAQWHCINPH-LJQANCHMSA-N 0 0 434.517 4.206 50 0 IIAARN CCOC(=O)c1cc2c3c(cc(I)c2oc1=O)oc1c3CCCC1 ZINC000008387406 556162686 /nfs/dbraw/zinc/16/26/86/556162686.db2.gz MKBHGFPDVMCGAK-UHFFFAOYSA-N 0 0 438.217 4.199 50 0 biogenic IIAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008441257 556176825 /nfs/dbraw/zinc/17/68/25/556176825.db2.gz VNNPWFPFVADQOP-KRWDZBQOSA-N 0 0 425.268 4.071 50 0 IIAARN CCCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000008448119 556180404 /nfs/dbraw/zinc/18/04/04/556180404.db2.gz INRABFZTZKRDAX-UHFFFAOYSA-N 0 0 445.585 4.392 50 0 IIAARN O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000008449946 556181047 /nfs/dbraw/zinc/18/10/47/556181047.db2.gz BXQIYUSRIXWKHU-FTUNRGFVSA-N 0 0 440.293 4.204 50 0 IIAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008567989 556187520 /nfs/dbraw/zinc/18/75/20/556187520.db2.gz LQIHWTDFXIMDMS-QFIPXVFZSA-N 0 0 437.496 4.153 50 0 IIAARN COc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000008599921 556190978 /nfs/dbraw/zinc/19/09/78/556190978.db2.gz ZIUIQRIKASNUBO-JOCHJYFZSA-N 0 0 447.466 4.201 50 0 IIAARN Cc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000008667136 556197889 /nfs/dbraw/zinc/19/78/89/556197889.db2.gz ONPVKWGNVKOFPW-UHFFFAOYSA-N 0 0 426.563 4.318 50 0 IIAARN NC(=O)CCCCCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc2c1=O ZINC000010606244 556210955 /nfs/dbraw/zinc/21/09/55/556210955.db2.gz NBULJKGBVHRREJ-UHFFFAOYSA-N 0 0 449.985 4.132 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000008922524 556233823 /nfs/dbraw/zinc/23/38/23/556233823.db2.gz QOOVOVMIHMGNOR-SANMLTNESA-N 0 0 431.488 4.020 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccnc1 ZINC000008923637 556234056 /nfs/dbraw/zinc/23/40/56/556234056.db2.gz RRWMYXQMKSNTOR-QFIPXVFZSA-N 0 0 427.287 4.396 50 0 IIAARN O=C(c1ccccc1)N1CCN(C(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)CC1 ZINC000008932024 556235034 /nfs/dbraw/zinc/23/50/34/556235034.db2.gz REVAXKOCMDPVJZ-UHFFFAOYSA-N 0 0 440.543 4.353 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccccc1 ZINC000009060545 556243854 /nfs/dbraw/zinc/24/38/54/556243854.db2.gz XERCNMCWSUUVEU-JOCHJYFZSA-N 0 0 449.532 4.058 50 0 IIAARN CC(C)=CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000009060608 556243904 /nfs/dbraw/zinc/24/39/04/556243904.db2.gz CJKFYUFOPIVBNT-HIFRSBDPSA-N 0 0 449.823 4.144 50 0 IIAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc2N1C(=O)C1CCC1 ZINC000009152529 556249519 /nfs/dbraw/zinc/24/95/19/556249519.db2.gz GWHBXXRWQRDNIA-GOSISDBHSA-N 0 0 436.577 4.242 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197019 556255151 /nfs/dbraw/zinc/25/51/51/556255151.db2.gz MRRWYVGBVQZGTF-RBUKOAKNSA-N 0 0 427.961 4.454 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197026 556255162 /nfs/dbraw/zinc/25/51/62/556255162.db2.gz MRRWYVGBVQZGTF-MOPGFXCFSA-N 0 0 427.961 4.454 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000009197556 556255819 /nfs/dbraw/zinc/25/58/19/556255819.db2.gz IFUMCMABTKXRQM-MOPGFXCFSA-N 0 0 443.960 4.290 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCCc1ccccc1C)nnc2C ZINC000009224501 556258016 /nfs/dbraw/zinc/25/80/16/556258016.db2.gz ARJGFFUIGQAGSA-UHFFFAOYSA-N 0 0 431.565 4.192 50 0 IIAARN COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000009225856 556260045 /nfs/dbraw/zinc/26/00/45/556260045.db2.gz OMCUYGVGCUFGOI-RUZDIDTESA-N 0 0 446.528 4.183 50 0 IIAARN CS(=O)(=O)N(CCCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000009226339 556260051 /nfs/dbraw/zinc/26/00/51/556260051.db2.gz FCSBGDNJBDDVKT-UHFFFAOYSA-N 0 0 449.016 4.368 50 0 IIAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000009238558 556264628 /nfs/dbraw/zinc/26/46/28/556264628.db2.gz APPSRKCJERFABO-RTBURBONSA-N 0 0 443.960 4.263 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000009238555 556264687 /nfs/dbraw/zinc/26/46/87/556264687.db2.gz APPSRKCJERFABO-OALUTQOASA-N 0 0 443.960 4.263 50 0 IIAARN CCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1Br ZINC000009252480 556267410 /nfs/dbraw/zinc/26/74/10/556267410.db2.gz GRHDQKVPNJSPRQ-UHFFFAOYSA-N 0 0 437.403 4.421 50 0 IIAARN O=c1n2nc(-c3cccnc3)nc2c2c3c(sc2n1Cc1ccc(F)cc1)CCCC3 ZINC000013683669 556274831 /nfs/dbraw/zinc/27/48/31/556274831.db2.gz JLVHTMMYUPOQFH-UHFFFAOYSA-N 0 0 431.496 4.234 50 0 IIAARN COc1ccc(CCc2nn3c(nnc3-c3cccc(Br)c3)s2)cc1OC ZINC000013692046 556281681 /nfs/dbraw/zinc/28/16/81/556281681.db2.gz RLONRYDCGBBKAW-UHFFFAOYSA-N 0 0 445.342 4.418 50 0 IIAARN COc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000009355162 556284821 /nfs/dbraw/zinc/28/48/21/556284821.db2.gz ABYWSZMPCUOQFS-UHFFFAOYSA-N 0 0 432.299 4.419 50 0 IIAARN COc1cc(CNc2ccc(Cl)c(-c3nc4ncccc4o3)c2)ccc1OCC(N)=O ZINC000009434018 556291267 /nfs/dbraw/zinc/29/12/67/556291267.db2.gz CJDKMVMUJZWVIA-UHFFFAOYSA-N 0 0 438.871 4.028 50 0 IIAARN COc1ccc(Br)cc1CNC(=O)COCc1cc(-c2cccs2)on1 ZINC000009436435 556291788 /nfs/dbraw/zinc/29/17/88/556291788.db2.gz ARSUXQLFWDWLCU-UHFFFAOYSA-N 0 0 437.315 4.007 50 0 IIAARN O=C(CSCc1cc(=O)n2nc(C3CCCCC3)sc2n1)Nc1ccc(F)cc1 ZINC000009526533 556297058 /nfs/dbraw/zinc/29/70/58/556297058.db2.gz HWJHTRWVMUTPPU-UHFFFAOYSA-N 0 0 432.546 4.210 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000013739012 556298065 /nfs/dbraw/zinc/29/80/65/556298065.db2.gz UUMJRUDPQYAKGW-QHCPKHFHSA-N 0 0 448.485 4.193 50 0 IIAARN O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000009573982 556300092 /nfs/dbraw/zinc/30/00/92/556300092.db2.gz JBKCMFYTPDEEDI-UHFFFAOYSA-N 0 0 437.422 4.319 50 0 IIAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758447 556301169 /nfs/dbraw/zinc/30/11/69/556301169.db2.gz WTPLCNNGJKQFFS-LPPUWEFUSA-N 0 0 438.568 4.319 50 0 IIAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000009591781 556301481 /nfs/dbraw/zinc/30/14/81/556301481.db2.gz QGFSZRWZGVGTKK-HWSSMJTMSA-N 0 0 428.282 4.378 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000009597826 556301716 /nfs/dbraw/zinc/30/17/16/556301716.db2.gz NDYRMMNUYUMDFN-UHFFFAOYSA-N 0 0 428.466 4.352 50 0 IIAARN CCc1ccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009663527 556304823 /nfs/dbraw/zinc/30/48/23/556304823.db2.gz PDWQBCPMCAKINT-OAQYLSRUSA-N 0 0 442.519 4.133 50 0 IIAARN COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)c3cccc(C)c3)cc2c1 ZINC000013770993 556305178 /nfs/dbraw/zinc/30/51/78/556305178.db2.gz VGMBPDBPDIXSSW-UHFFFAOYSA-N 0 0 428.488 4.457 50 0 IIAARN CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3nc4c(s3)CCCC4)nc21 ZINC000009668847 556305539 /nfs/dbraw/zinc/30/55/39/556305539.db2.gz QUPKNUUZTNSHDB-LBPRGKRZSA-N 0 0 438.582 4.454 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000009720737 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COc1cccc(CNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)c1 ZINC000013839166 556317494 /nfs/dbraw/zinc/31/74/94/556317494.db2.gz UKANXRPLJZNVPZ-VWLOTQADSA-N 0 0 425.488 4.038 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000009971536 556319474 /nfs/dbraw/zinc/31/94/74/556319474.db2.gz YMDYXIOELATCHV-UHFFFAOYSA-N 0 0 437.546 4.313 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cs2)cc1 ZINC000032760371 556320586 /nfs/dbraw/zinc/32/05/86/556320586.db2.gz PFCXSAPBGKLKFF-UHFFFAOYSA-N 0 0 432.549 4.258 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCNC(=O)c1cc2ccccc2[nH]1 ZINC000013858124 556321639 /nfs/dbraw/zinc/32/16/39/556321639.db2.gz ARJBDUZKUFEMDB-CYBMUJFWSA-N 0 0 434.323 4.178 50 0 IIAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000032753515 556322826 /nfs/dbraw/zinc/32/28/26/556322826.db2.gz JELJGHIXFYQQST-UHFFFAOYSA-N 0 0 432.858 4.484 50 0 IIAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3F)c2c1 ZINC000010273880 556329075 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CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1cc(Cl)ccc1Cl ZINC000014196835 556388465 /nfs/dbraw/zinc/38/84/65/556388465.db2.gz YBPROPQLOFOYEN-UHFFFAOYSA-N 0 0 434.323 4.438 50 0 IIAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)cc1 ZINC000012062060 556395156 /nfs/dbraw/zinc/39/51/56/556395156.db2.gz XDOIZYKQHSCQCB-LJQANCHMSA-N 0 0 448.567 4.211 50 0 IIAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014230005 556396658 /nfs/dbraw/zinc/39/66/58/556396658.db2.gz KFEBJQVCRVZSQB-SFHVURJKSA-N 0 0 436.986 4.091 50 0 IIAARN O=C(NCc1ccc2ncccc2c1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012076263 556398059 /nfs/dbraw/zinc/39/80/59/556398059.db2.gz GBQOTDJKFIZPMY-IBGZPJMESA-N 0 0 441.453 4.309 50 0 IIAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CN(C)Cc2ccc(OCC)cc2)C1=O ZINC000014231887 556398235 /nfs/dbraw/zinc/39/82/35/556398235.db2.gz HQRLCXJYEDQWND-DEOSSOPVSA-N 0 0 427.520 4.251 50 0 IIAARN Cc1ccc([C@@H](OC[C@@H](O)CSc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014238240 556399956 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Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000014249362 556407997 /nfs/dbraw/zinc/40/79/97/556407997.db2.gz BAOPPVRYKKKCFB-UHFFFAOYSA-N 0 0 429.446 4.008 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)n(C)n2)c1OC ZINC000012571451 556408585 /nfs/dbraw/zinc/40/85/85/556408585.db2.gz INKCZSISRQFVPC-QHCPKHFHSA-N 0 0 430.508 4.015 50 0 IIAARN CCC(=O)c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000014252799 556409881 /nfs/dbraw/zinc/40/98/81/556409881.db2.gz PFXMQKRYPHMCRY-KRWDZBQOSA-N 0 0 431.945 4.260 50 0 IIAARN COc1ccc(-c2csc(NC(=O)c3ccc(CN4CCO[C@@H](C)C4)cc3)n2)cc1F ZINC000032824680 556410102 /nfs/dbraw/zinc/41/01/02/556410102.db2.gz YUCALNAXTHEUGJ-HNNXBMFYSA-N 0 0 441.528 4.431 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(C)c(C)c3)n2)c1 ZINC000032623804 556410974 /nfs/dbraw/zinc/41/09/74/556410974.db2.gz VFMSBPFBQIXNKS-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219323693 556411705 /nfs/dbraw/zinc/41/17/05/556411705.db2.gz ZCVBKQPGDABGHL-NRFANRHFSA-N 0 0 443.475 4.404 50 0 IIAARN O=C(CN1CCN(c2ccccc2F)C1=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219332650 556412060 /nfs/dbraw/zinc/41/20/60/556412060.db2.gz FCPHKRGXPJWTIW-HXUWFJFHSA-N 0 0 449.498 4.053 50 0 IIAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000014360200 556414442 /nfs/dbraw/zinc/41/44/42/556414442.db2.gz RZHIATPFEQFIPM-UHFFFAOYSA-N 0 0 440.609 4.346 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000014425342 556415893 /nfs/dbraw/zinc/41/58/93/556415893.db2.gz TZRVCYPIWLNTLE-UHFFFAOYSA-N 0 0 431.583 4.287 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2=O)c1 ZINC000012971434 556418786 /nfs/dbraw/zinc/41/87/86/556418786.db2.gz VSWWKQLHPRCWRH-KOSHJBKYSA-N 0 0 432.545 4.284 50 0 IIAARN Cc1cc(C(=O)CN(C)Cc2ccsc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000012975768 556421373 /nfs/dbraw/zinc/42/13/73/556421373.db2.gz OUUGMGMWBGNQHJ-UHFFFAOYSA-N 0 0 448.592 4.268 50 0 IIAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(I)cc1 ZINC000012977332 556422421 /nfs/dbraw/zinc/42/24/21/556422421.db2.gz KQMUPDAIXBCQDJ-UHFFFAOYSA-N 0 0 436.249 4.118 50 0 IIAARN O=C(CN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1)Nc1ccc(F)cc1 ZINC000012981553 556424464 /nfs/dbraw/zinc/42/44/64/556424464.db2.gz MAZRUYWVLJCJPA-UHFFFAOYSA-N 0 0 449.910 4.229 50 0 IIAARN COC(=O)Cc1ccc(OCC(=O)N(CCc2ccccc2)CCc2ccccc2)cc1 ZINC000012985585 556426562 /nfs/dbraw/zinc/42/65/62/556426562.db2.gz HUKMMMURCYNZRW-UHFFFAOYSA-N 0 0 431.532 4.095 50 0 IIAARN O=C(Nc1ccccc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000032841782 556427274 /nfs/dbraw/zinc/42/72/74/556427274.db2.gz RAGDDVYSYZYVSX-UHFFFAOYSA-N 0 0 426.929 4.453 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000032841772 556427336 /nfs/dbraw/zinc/42/73/36/556427336.db2.gz PFQDKDWZNBRFDN-UHFFFAOYSA-N 0 0 434.565 4.346 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000012995225 556430560 /nfs/dbraw/zinc/43/05/60/556430560.db2.gz LJBHXCLTJKFYLW-NWDGAFQWSA-N 0 0 427.353 4.195 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000012995222 556430578 /nfs/dbraw/zinc/43/05/78/556430578.db2.gz LJBHXCLTJKFYLW-NEPJUHHUSA-N 0 0 427.353 4.195 50 0 IIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000014688229 556432658 /nfs/dbraw/zinc/43/26/58/556432658.db2.gz POSJCQBVCYQIBH-UHFFFAOYSA-N 0 0 437.005 4.071 50 0 IIAARN COC(=O)c1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC000013000071 556432774 /nfs/dbraw/zinc/43/27/74/556432774.db2.gz AAXCFCMKNSIQEK-UHFFFAOYSA-N 0 0 437.496 4.310 50 0 IIAARN O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1ccc2ccccc2c1 ZINC000014719059 556435447 /nfs/dbraw/zinc/43/54/47/556435447.db2.gz VBEGWKPUYKDWAA-MTJSOVHGSA-N 0 0 446.484 4.035 50 0 IIAARN O=c1c2ccccc2c(-c2nnc(SC[C@H]3CCCCO3)o2)nn1Cc1ccccc1 ZINC000013015307 556437352 /nfs/dbraw/zinc/43/73/52/556437352.db2.gz BZFWXTSVANTQJL-QGZVFWFLSA-N 0 0 434.521 4.156 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1ccoc1 ZINC000013020773 556439705 /nfs/dbraw/zinc/43/97/05/556439705.db2.gz KQBODODFJBLATN-UHFFFAOYSA-N 0 0 446.447 4.038 50 0 IIAARN CC(C)N(C(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(C)C ZINC000014753213 556444077 /nfs/dbraw/zinc/44/40/77/556444077.db2.gz LXOCCLONHXQQBN-UHFFFAOYSA-N 0 0 430.570 4.054 50 0 IIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cc(=O)n2ccc(C)cc2n1 ZINC000014755521 556444717 /nfs/dbraw/zinc/44/47/17/556444717.db2.gz GLJJHNXFJHXGBP-UHFFFAOYSA-N 0 0 427.819 4.116 50 0 IIAARN C[C@H]1Oc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)cc2NC1=O ZINC000014809693 556447626 /nfs/dbraw/zinc/44/76/26/556447626.db2.gz VVJDGGXXCKZWBD-CQSZACIVSA-N 0 0 434.471 4.252 50 0 IIAARN CCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCc2ccccc2)cc1OC ZINC000028290220 556449581 /nfs/dbraw/zinc/44/95/81/556449581.db2.gz CCRRNVWSQHTFHZ-QFIPXVFZSA-N 0 0 440.565 4.410 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(CC)c(C)s1 ZINC000014864617 556451458 /nfs/dbraw/zinc/45/14/58/556451458.db2.gz GJEHMRNZVPKUJF-UHFFFAOYSA-N 0 0 436.599 4.445 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1CCC(C)C ZINC000013069033 556452561 /nfs/dbraw/zinc/45/25/61/556452561.db2.gz QEIDRNWCFVJECL-HSZRJFAPSA-N 0 0 427.570 4.179 50 0 IIAARN COc1ccc(-c2nn(CN(C)CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc1OC ZINC000013069287 556452874 /nfs/dbraw/zinc/45/28/74/556452874.db2.gz SLHINJZCLUZDCW-UHFFFAOYSA-N 0 0 448.932 4.071 50 0 IIAARN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000028389048 556453450 /nfs/dbraw/zinc/45/34/50/556453450.db2.gz XLHQEYKKPANFGW-GOSISDBHSA-N 0 0 443.503 4.368 50 0 IIAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Br)ccc1Cl ZINC000013074633 556455003 /nfs/dbraw/zinc/45/50/03/556455003.db2.gz FOLZHQBOQHYWEG-UHFFFAOYSA-N 0 0 434.721 4.390 50 0 IIAARN COc1ccc(C[C@]2(CCC(=O)N[C@H](c3ccco3)c3ccccc3)CCC(=O)N2)cc1 ZINC000014885873 556455149 /nfs/dbraw/zinc/45/51/49/556455149.db2.gz OJBGNHRMUIVAQX-UIOOFZCWSA-N 0 0 432.520 4.166 50 0 IIAARN CC(=O)NCc1nnc(SCCOc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000014888196 556455891 /nfs/dbraw/zinc/45/58/91/556455891.db2.gz BGFUHKDCUVQEEY-UHFFFAOYSA-N 0 0 436.459 4.093 50 0 IIAARN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)cc3)c2c1C ZINC000013098168 556459233 /nfs/dbraw/zinc/45/92/33/556459233.db2.gz IVYXFKFYZYZALD-UHFFFAOYSA-N 0 0 447.944 4.454 50 0 IIAARN CC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000014950427 556460203 /nfs/dbraw/zinc/46/02/03/556460203.db2.gz HFBDTLWAQZZWIY-QHCPKHFHSA-N 0 0 446.551 4.244 50 0 IIAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000013102417 556461062 /nfs/dbraw/zinc/46/10/62/556461062.db2.gz AKYIJDFHVBTLTL-UHFFFAOYSA-N 0 0 430.577 4.348 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1c(C)noc1Cl)CC2 ZINC000072280532 556461753 /nfs/dbraw/zinc/46/17/53/556461753.db2.gz VJIDRWURQRFEQD-HXUWFJFHSA-N 0 0 432.929 4.432 50 0 IIAARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000013108372 556461956 /nfs/dbraw/zinc/46/19/56/556461956.db2.gz NTDADUXRWLCNCV-AWEZNQCLSA-N 0 0 439.940 4.093 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1N1CCCCC1 ZINC000072281969 556464453 /nfs/dbraw/zinc/46/44/53/556464453.db2.gz WYZQXZXUMFVCQM-UHFFFAOYSA-N 0 0 444.373 4.459 50 0 IIAARN Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)s2)cs1 ZINC000013114241 556466449 /nfs/dbraw/zinc/46/64/49/556466449.db2.gz UQLYHWQKLBKHLV-UHFFFAOYSA-N 0 0 433.942 4.448 50 0 IIAARN COc1ccccc1CCC(=O)N1CCC(n2c3ncccc3nc2[C@@H]2CCCO2)CC1 ZINC000014970340 556466839 /nfs/dbraw/zinc/46/68/39/556466839.db2.gz OCDJZWVIDVAMRR-QFIPXVFZSA-N 0 0 434.540 4.088 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)Nc3nc(-c4ccc(F)cc4)cs3)o2)cs1 ZINC000013114671 556467135 /nfs/dbraw/zinc/46/71/35/556467135.db2.gz SYABTEJQNIUSGG-UHFFFAOYSA-N 0 0 447.542 4.419 50 0 IIAARN Cc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013114581 556467155 /nfs/dbraw/zinc/46/71/55/556467155.db2.gz IAXLGWNMSGKIAJ-UHFFFAOYSA-N 0 0 444.450 4.192 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c23)cc1C ZINC000013114829 556467242 /nfs/dbraw/zinc/46/72/42/556467242.db2.gz YJTGWQZHPDUQSY-UHFFFAOYSA-N 0 0 433.489 4.109 50 0 IIAARN COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013114869 556467541 /nfs/dbraw/zinc/46/75/41/556467541.db2.gz PTQBYEDGNXGMCF-KBPBESRZSA-N 0 0 438.355 4.138 50 0 IIAARN COc1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc(OC)c1OC ZINC000014974473 556467978 /nfs/dbraw/zinc/46/79/78/556467978.db2.gz BMUNXUCSCRUSTR-HXUWFJFHSA-N 0 0 449.551 4.271 50 0 IIAARN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000013115652 556468163 /nfs/dbraw/zinc/46/81/63/556468163.db2.gz VWYITFJWNNOGHL-QZTJIDSGSA-N 0 0 430.570 4.079 50 0 IIAARN O=C(CSc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)N1CCCC1 ZINC000029267509 556471250 /nfs/dbraw/zinc/47/12/50/556471250.db2.gz ABHZZQMIOHNCTM-UHFFFAOYSA-N 0 0 448.592 4.297 50 0 IIAARN O=C(Nc1ccc(-n2cncn2)nc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029288906 556471548 /nfs/dbraw/zinc/47/15/48/556471548.db2.gz YUJHZDUSQUJBEP-UHFFFAOYSA-N 0 0 426.411 4.376 50 0 IIAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 ZINC000013120759 556472997 /nfs/dbraw/zinc/47/29/97/556472997.db2.gz DHWTZLSLTACLHJ-UHFFFAOYSA-N 0 0 438.578 4.222 50 0 IIAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC[C@@H]2CN(C(=O)c3ccncc3)CC[C@H]21 ZINC000014986892 556473063 /nfs/dbraw/zinc/47/30/63/556473063.db2.gz YBUYLCAKERHHHU-DYESRHJHSA-N 0 0 436.943 4.292 50 0 IIAARN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000029450059 556475707 /nfs/dbraw/zinc/47/57/07/556475707.db2.gz TYPWCDFJZYAHRQ-GOSISDBHSA-N 0 0 432.959 4.411 50 0 IIAARN COc1cccc(C[C@H](C2CCN(C(=O)C3=CCCC3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014993119 556476086 /nfs/dbraw/zinc/47/60/86/556476086.db2.gz RAIFIXZZHVMQED-HSZRJFAPSA-N 0 0 436.552 4.320 50 0 IIAARN CC(=O)c1ccccc1OCCSc1nc2ccccc2c(=O)n1Cc1cccnc1 ZINC000029619579 556479066 /nfs/dbraw/zinc/47/90/66/556479066.db2.gz YOKHKXPANCQMBR-UHFFFAOYSA-N 0 0 431.517 4.214 50 0 IIAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)c1cc3ncccn3n1)C2 ZINC000015000481 556479690 /nfs/dbraw/zinc/47/96/90/556479690.db2.gz QJWBTDRRJJOGOU-OAQYLSRUSA-N 0 0 449.514 4.295 50 0 IIAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000015000937 556479763 /nfs/dbraw/zinc/47/97/63/556479763.db2.gz BIWIFIQCWDVQJL-AMGIVPHBSA-N 0 0 448.563 4.183 50 0 IIAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COC(=O)c1c(C)noc1C ZINC000013131843 556480753 /nfs/dbraw/zinc/48/07/53/556480753.db2.gz QCSNEBADQJJRTB-UHFFFAOYSA-N 0 0 442.493 4.301 50 0 IIAARN O=C(CCC(=O)c1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000029939310 556486868 /nfs/dbraw/zinc/48/68/68/556486868.db2.gz GQHPNEFFCPLCNX-GOSISDBHSA-N 0 0 433.346 4.348 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(CC(C)C)s3)c2)cc1 ZINC000013141674 556486869 /nfs/dbraw/zinc/48/68/69/556486869.db2.gz KPRRMCFOWAOTFZ-UHFFFAOYSA-N 0 0 444.582 4.122 50 0 IIAARN Cc1ccc(-c2nnn(CC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)n2)cc1 ZINC000013141489 556487006 /nfs/dbraw/zinc/48/70/06/556487006.db2.gz YRRWZHUAQNQQMT-FQEVSTJZSA-N 0 0 446.898 4.273 50 0 IIAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000015018885 556487136 /nfs/dbraw/zinc/48/71/36/556487136.db2.gz GQLBDXIOEYSTGE-SFHVURJKSA-N 0 0 434.521 4.068 50 0 IIAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 ZINC000032876351 556488095 /nfs/dbraw/zinc/48/80/95/556488095.db2.gz IEXRSAYHMWZJPM-UHFFFAOYSA-N 0 0 445.343 4.188 50 0 IIAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000013146340 556488365 /nfs/dbraw/zinc/48/83/65/556488365.db2.gz YIYVWYRAESDOKT-IYBDPMFKSA-N 0 0 433.599 4.456 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c1C ZINC000032876385 556488420 /nfs/dbraw/zinc/48/84/20/556488420.db2.gz KWAPMNUAXCXICK-IBGZPJMESA-N 0 0 443.617 4.041 50 0 IIAARN CN1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030517 556489888 /nfs/dbraw/zinc/48/98/88/556489888.db2.gz DPTNYQQNAQPNNS-VWLOTQADSA-N 0 0 440.547 4.131 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)OCCCO4)CCCC2)c1 ZINC000030112734 556490544 /nfs/dbraw/zinc/49/05/44/556490544.db2.gz WTUQVSNIBMFNCM-UHFFFAOYSA-N 0 0 429.538 4.190 50 0 IIAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000015064803 556492131 /nfs/dbraw/zinc/49/21/31/556492131.db2.gz BAJZYLWYFFVFIK-HNNXBMFYSA-N 0 0 440.418 4.220 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000030450209 556494709 /nfs/dbraw/zinc/49/47/09/556494709.db2.gz REDOXFDSPOPLNL-UHFFFAOYSA-N 0 0 434.561 4.421 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000013163972 556495063 /nfs/dbraw/zinc/49/50/63/556495063.db2.gz DAWWVFGBXXKJFN-UHFFFAOYSA-N 0 0 438.440 4.452 50 0 IIAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030510335 556495904 /nfs/dbraw/zinc/49/59/04/556495904.db2.gz PLVXBESABLYWLZ-UHFFFAOYSA-N 0 0 443.594 4.254 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KKBPAKFIAOEJAZ-ILZDJORESA-N 0 0 427.913 4.038 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)c12 ZINC000032885611 556510252 /nfs/dbraw/zinc/51/02/52/556510252.db2.gz DEBDBWIOTXZOKK-HNNXBMFYSA-N 0 0 433.439 4.249 50 0 IIAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000030881588 556514634 /nfs/dbraw/zinc/51/46/34/556514634.db2.gz DKMFTTZSYSCAJW-UHFFFAOYSA-N 0 0 439.021 4.315 50 0 IIAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000030920693 556515292 /nfs/dbraw/zinc/51/52/92/556515292.db2.gz XSLWFNKXIIAJBO-OAQYLSRUSA-N 0 0 447.560 4.351 50 0 IIAARN CC1CCN(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(Cl)cc3)C2=O)CC1 ZINC000015303732 556517165 /nfs/dbraw/zinc/51/71/65/556517165.db2.gz IMBAFYBFHFBLBQ-QHCPKHFHSA-N 0 0 441.984 4.309 50 0 IIAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000030965182 556518392 /nfs/dbraw/zinc/51/83/92/556518392.db2.gz CMKZXRWCLYDJAQ-OAQYLSRUSA-N 0 0 441.959 4.149 50 0 IIAARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000032719023 556520360 /nfs/dbraw/zinc/52/03/60/556520360.db2.gz VFSBFJHAXGFNPI-FUHWJXTLSA-N 0 0 442.610 4.497 50 0 IIAARN C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013575118 556525251 /nfs/dbraw/zinc/52/52/51/556525251.db2.gz SLEVWIDNFWBKIZ-QGZVFWFLSA-N 0 0 428.941 4.413 50 0 IIAARN COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)c(OC)c1 ZINC000015412869 556525714 /nfs/dbraw/zinc/52/57/14/556525714.db2.gz AFRPAZFPKLXTBN-HSZRJFAPSA-N 0 0 436.895 4.478 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2c[nH]c3ccccc23)C12CCCC2 ZINC000032073629 556528524 /nfs/dbraw/zinc/52/85/24/556528524.db2.gz CPHKSXYZLCNIDB-XMMPIXPASA-N 0 0 445.563 4.025 50 0 IIAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013591551 556529816 /nfs/dbraw/zinc/52/98/16/556529816.db2.gz ZBYFUFMZBYLLLU-QATBIIFWSA-N 0 0 435.886 4.250 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000032901530 556536777 /nfs/dbraw/zinc/53/67/77/556536777.db2.gz XHDSNPMDDQEKSN-HTAPYJJXSA-N 0 0 430.545 4.366 50 0 IIAARN O=C(Oc1ccc(Cl)c2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015607971 556537768 /nfs/dbraw/zinc/53/77/68/556537768.db2.gz XRJQMJRCQNNCAT-CQSZACIVSA-N 0 0 448.903 4.034 50 0 IIAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)ccc1F ZINC000015607809 556537799 /nfs/dbraw/zinc/53/77/99/556537799.db2.gz WAUQGJSNIWCJHM-UHFFFAOYSA-N 0 0 440.924 4.305 50 0 IIAARN O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000015636480 556539588 /nfs/dbraw/zinc/53/95/88/556539588.db2.gz LSQVEBUCYRJFQU-UHFFFAOYSA-N 0 0 439.562 4.026 50 0 IIAARN O=C(Cc1ccc(Cl)cc1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000032581081 556541867 /nfs/dbraw/zinc/54/18/67/556541867.db2.gz HICJYSNNWHEGGE-UHFFFAOYSA-N 0 0 436.924 4.277 50 0 IIAARN COCc1nn2c(ncc3c2C[C@H](c2ccc(OC)cc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638333 556541861 /nfs/dbraw/zinc/54/18/61/556541861.db2.gz BOXYZIQUBKXFBY-SFHVURJKSA-N 0 0 443.503 4.473 50 0 IIAARN CC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)c2cc(C3CC3)nc3onc(C)c32)nc1C ZINC000013642141 556542520 /nfs/dbraw/zinc/54/25/20/556542520.db2.gz QVFDFDYVIMIEQW-HNNXBMFYSA-N 0 0 440.525 4.202 50 0 IIAARN CC(=O)N1C[C@@H](C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)Oc2ccccc21 ZINC000032727309 556548410 /nfs/dbraw/zinc/54/84/10/556548410.db2.gz RMRJQAZUJBJWNP-LVXARBLLSA-N 0 0 439.515 4.230 50 0 IIAARN COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cn1 ZINC000032905463 556548895 /nfs/dbraw/zinc/54/88/95/556548895.db2.gz UMZLIQVWQUERND-UHFFFAOYSA-N 0 0 425.282 4.014 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997908 556551982 /nfs/dbraw/zinc/55/19/82/556551982.db2.gz CLCNWUJFGKYLPC-HXUWFJFHSA-N 0 0 426.473 4.242 50 0 IIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000033086822 556553923 /nfs/dbraw/zinc/55/39/23/556553923.db2.gz IMCDLLKGWQSCQB-HNNXBMFYSA-N 0 0 433.434 4.462 50 0 IIAARN CCCCOc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1 ZINC000033266330 556557631 /nfs/dbraw/zinc/55/76/31/556557631.db2.gz JHBPECDHSLEGQN-UHFFFAOYSA-N 0 0 445.523 4.131 50 0 IIAARN CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 ZINC000015859658 556558190 /nfs/dbraw/zinc/55/81/90/556558190.db2.gz JRRAPCSTJVDFGI-FQEVSTJZSA-N 0 0 425.554 4.330 50 0 IIAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CC(OCc3cccc4ccccc43)C2)c1 ZINC000072306733 556560013 /nfs/dbraw/zinc/56/00/13/556560013.db2.gz CREKUHAOPRHRDQ-UHFFFAOYSA-N 0 0 444.560 4.497 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-n1cccc1 ZINC000015881959 556560838 /nfs/dbraw/zinc/56/08/38/556560838.db2.gz HKPKWJLGGIUBTN-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-n2cccc2)c1 ZINC000015881970 556560848 /nfs/dbraw/zinc/56/08/48/556560848.db2.gz OADOMFKQQGSXJW-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN Cc1nnc(CN(C)c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)[nH]1 ZINC000072307708 556562184 /nfs/dbraw/zinc/56/21/84/556562184.db2.gz SAGQHAOPASHJLL-UHFFFAOYSA-N 0 0 433.585 4.407 50 0 IIAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OC ZINC000033345133 556562335 /nfs/dbraw/zinc/56/23/35/556562335.db2.gz GDFUUMJQNLUBET-RCCKNPSSSA-N 0 0 435.549 4.252 50 0 IIAARN C[C@@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2n1C ZINC000072307924 556563453 /nfs/dbraw/zinc/56/34/53/556563453.db2.gz OGSQQHAUYPBJIQ-QGZVFWFLSA-N 0 0 434.517 4.465 50 0 IIAARN Cc1nn([C@@H](C)c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1Br ZINC000071287892 556564051 /nfs/dbraw/zinc/56/40/51/556564051.db2.gz AIUGJRRKBCDGHD-JTQLQIEISA-N 0 0 437.754 4.307 50 0 IIAARN CC(C)NC(=O)CN(C)[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000072309132 556569323 /nfs/dbraw/zinc/56/93/23/556569323.db2.gz LAEYWUBOTQMTRV-OAQYLSRUSA-N 0 0 440.544 4.085 50 0 IIAARN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCCC[C@@H]3c3cccn3C)[nH]c(=O)c2c1C ZINC000072309247 556570246 /nfs/dbraw/zinc/57/02/46/556570246.db2.gz HJXIUAGICUXAJD-DOTOQJQBSA-N 0 0 444.626 4.315 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O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915744 556674460 /nfs/dbraw/zinc/67/44/60/556674460.db2.gz ZIBUTXYUUDSYEK-UHFFFAOYSA-N 0 0 445.928 4.422 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000011918460 556674756 /nfs/dbraw/zinc/67/47/56/556674756.db2.gz MKOIYYWGSDSDLQ-HNNXBMFYSA-N 0 0 431.916 4.449 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cc2C1=O ZINC000032935118 556677900 /nfs/dbraw/zinc/67/79/00/556677900.db2.gz VBWRGVYILRDQSO-JOCHJYFZSA-N 0 0 438.499 4.120 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cc2C1=O ZINC000032935116 556677970 /nfs/dbraw/zinc/67/79/70/556677970.db2.gz VBWRGVYILRDQSO-QFIPXVFZSA-N 0 0 438.499 4.120 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325817 556680344 /nfs/dbraw/zinc/68/03/44/556680344.db2.gz NPQTYZOAVUUINP-NRFANRHFSA-N 0 0 437.565 4.396 50 0 IIAARN 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Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)s1 ZINC000033031698 556711461 /nfs/dbraw/zinc/71/14/61/556711461.db2.gz QJHSJLCRZNZOMF-UHFFFAOYSA-N 0 0 436.537 4.304 50 0 IIAARN COc1ccc(C2(CNC(=O)CCn3cc(C(C)=O)c4ccccc43)CCOCC2)cc1 ZINC000072326310 556724311 /nfs/dbraw/zinc/72/43/11/556724311.db2.gz CYHUKRJODLCSNK-UHFFFAOYSA-N 0 0 434.536 4.107 50 0 biogenic IIAARN CC(C)COC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013758568 556728074 /nfs/dbraw/zinc/72/80/74/556728074.db2.gz ANICMVNTRGPEKT-FZZGZANXSA-N 0 0 440.584 4.321 50 0 IIAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000061721984 556730127 /nfs/dbraw/zinc/73/01/27/556730127.db2.gz IBJYUWHXFRRESO-UHFFFAOYSA-N 0 0 441.318 4.057 50 0 IIAARN COC(=O)C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000078680227 556734987 /nfs/dbraw/zinc/73/49/87/556734987.db2.gz ZCGCSIUDKLJSGC-LJQANCHMSA-N 0 0 428.485 4.135 50 0 IIAARN Cc1nonc1N1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000055154430 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556822748 /nfs/dbraw/zinc/82/27/48/556822748.db2.gz VFLCVQMEHUNUDE-UHFFFAOYSA-N 0 0 433.599 4.151 50 0 IIAARN COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064662120 556826156 /nfs/dbraw/zinc/82/61/56/556826156.db2.gz KFHYIIGHKAENCD-XMMPIXPASA-N 0 0 437.565 4.498 50 0 IIAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000206654822 556826760 /nfs/dbraw/zinc/82/67/60/556826760.db2.gz AUTWKZGGESXDDF-UHFFFAOYSA-N 0 0 433.581 4.053 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)cc1 ZINC000064928574 556829124 /nfs/dbraw/zinc/82/91/24/556829124.db2.gz FDKPTHMZEXLUPB-IBGZPJMESA-N 0 0 434.515 4.350 50 0 IIAARN Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000065002831 556831011 /nfs/dbraw/zinc/83/10/11/556831011.db2.gz GMXXQMPRNVRJTC-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1C ZINC000065003623 556831788 /nfs/dbraw/zinc/83/17/88/556831788.db2.gz AKBQIIDHINUXQZ-IBGZPJMESA-N 0 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COCCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(C)=O)CC1 ZINC000004669775 556864434 /nfs/dbraw/zinc/86/44/34/556864434.db2.gz VFGWIUQWKUOJRY-UHFFFAOYSA-N 0 0 427.570 4.135 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc2=O)cc1 ZINC000033128343 556865559 /nfs/dbraw/zinc/86/55/59/556865559.db2.gz JLXIJOWGIGDAQG-AWEZNQCLSA-N 0 0 444.354 4.423 50 0 IIAARN CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCCC1=CCCCC1 ZINC000033125522 556866472 /nfs/dbraw/zinc/86/64/72/556866472.db2.gz OVASJCDIDLQNDZ-HXUWFJFHSA-N 0 0 429.948 4.358 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O ZINC000033126690 556867341 /nfs/dbraw/zinc/86/73/41/556867341.db2.gz FYWZMZXFHRKYCR-QGZVFWFLSA-N 0 0 432.495 4.247 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129987 556869514 /nfs/dbraw/zinc/86/95/14/556869514.db2.gz YMZIUWKTUCUCCQ-UHFFFAOYSA-N 0 0 434.561 4.410 50 0 IIAARN Cc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)o1 ZINC000033130017 556869561 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COc1ccccc1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127027 557011635 /nfs/dbraw/zinc/01/16/35/557011635.db2.gz FOARWZMAXTUQGQ-UHFFFAOYSA-N 0 0 437.546 4.401 50 0 IIAARN O[C@H](CSc1ccc(F)cc1)CN1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000020405995 557013763 /nfs/dbraw/zinc/01/37/63/557013763.db2.gz KOPLFTIFAQLYGS-INIZCTEOSA-N 0 0 437.993 4.364 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1F ZINC000045971229 557013914 /nfs/dbraw/zinc/01/39/14/557013914.db2.gz YCOMLPSITUOYDF-UHFFFAOYSA-N 0 0 432.484 4.222 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000020428089 557016218 /nfs/dbraw/zinc/01/62/18/557016218.db2.gz IDWWNZGTRAJXKG-UHFFFAOYSA-N 0 0 443.935 4.173 50 0 IIAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)NCc2ccc(OC)cc2)cc3C)cc1 ZINC000045990659 557016443 /nfs/dbraw/zinc/01/64/43/557016443.db2.gz ZBDWYBZUVCTOCW-UHFFFAOYSA-N 0 0 444.535 4.304 50 0 IIAARN COc1cccc(CNC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1 ZINC000045992095 557017578 /nfs/dbraw/zinc/01/75/78/557017578.db2.gz ZINZEZDMRAWIEJ-KRWDZBQOSA-N 0 0 430.508 4.036 50 0 IIAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 ZINC000023136688 557019048 /nfs/dbraw/zinc/01/90/48/557019048.db2.gz BURDZWXXPBPJNQ-UHFFFAOYSA-N 0 0 439.921 4.264 50 0 IIAARN O=C(CCn1cnc2sccc2c1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010700726 557019204 /nfs/dbraw/zinc/01/92/04/557019204.db2.gz JTOOOMLAOKVGHI-FQEVSTJZSA-N 0 0 442.544 4.278 50 0 IIAARN Cc1ccc2c(cc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)n2C)c1 ZINC000046007417 557019491 /nfs/dbraw/zinc/01/94/91/557019491.db2.gz ADSNAZXMKNVOAL-UHFFFAOYSA-N 0 0 428.330 4.338 50 0 IIAARN COc1cccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)c1 ZINC000032943559 557020429 /nfs/dbraw/zinc/02/04/29/557020429.db2.gz UXAXIGTWPTXAAC-UHFFFAOYSA-N 0 0 425.554 4.276 50 0 IIAARN Cn1nc(-c2ccccc2)c2c1nc(OCC(=O)NC1CCCCC1)cc2C(F)(F)F ZINC000046017220 557020408 /nfs/dbraw/zinc/02/04/08/557020408.db2.gz MJNVJGOTQOPQGT-UHFFFAOYSA-N 0 0 432.446 4.482 50 0 IIAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2F)n3C)c1 ZINC000046017502 557020688 /nfs/dbraw/zinc/02/06/88/557020688.db2.gz HANHPKAPAFRBAR-QGZVFWFLSA-N 0 0 439.512 4.085 50 0 IIAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000072024399 557021556 /nfs/dbraw/zinc/02/15/56/557021556.db2.gz ULIWICOERZWEQO-UHFFFAOYSA-N 0 0 431.319 4.313 50 0 IIAARN COc1ccc(OC)c(C(=O)N(CCn2cccn2)c2nc3c(cc(C)cc3C)s2)c1 ZINC000023144848 557026532 /nfs/dbraw/zinc/02/65/32/557026532.db2.gz WULSPBZFIAOEKX-UHFFFAOYSA-N 0 0 436.537 4.474 50 0 IIAARN CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4cccc(F)c4)cc3)cc(=O)n21 ZINC000021797764 557026556 /nfs/dbraw/zinc/02/65/56/557026556.db2.gz VSBPNZODPLJRBL-UHFFFAOYSA-N 0 0 437.500 4.156 50 0 IIAARN CCCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000010806823 557028990 /nfs/dbraw/zinc/02/89/90/557028990.db2.gz XYTXZPJFZMFOOS-CQSZACIVSA-N 0 0 443.910 4.248 50 0 IIAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075610 557032535 /nfs/dbraw/zinc/03/25/35/557032535.db2.gz JOIOBJCNDOGCDV-GOSISDBHSA-N 0 0 448.548 4.052 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OCC(N)=O ZINC000046076866 557032740 /nfs/dbraw/zinc/03/27/40/557032740.db2.gz LKSOOXRNJMMPHX-INIZCTEOSA-N 0 0 440.496 4.291 50 0 IIAARN CCOc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OCC(N)=O ZINC000046076656 557032760 /nfs/dbraw/zinc/03/27/60/557032760.db2.gz PZSGXFXHHCQNPN-OAHLLOKOSA-N 0 0 440.496 4.291 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2ccccc2C)c1=O ZINC000046079348 557034102 /nfs/dbraw/zinc/03/41/02/557034102.db2.gz DDUBLTGFJQXBNI-HNNXBMFYSA-N 0 0 438.915 4.420 50 0 IIAARN CCCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000046086496 557035827 /nfs/dbraw/zinc/03/58/27/557035827.db2.gz PFPXEKIVXMBQHC-UHFFFAOYSA-N 0 0 427.357 4.434 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)c4c(F)cccc4F)C3)s2)cc1 ZINC000046123067 557036955 /nfs/dbraw/zinc/03/69/55/557036955.db2.gz RBOYILCLLPBCRR-CQSZACIVSA-N 0 0 442.491 4.397 50 0 IIAARN O=C1Cc2cc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc3c2N1CCC3 ZINC000017178332 557037762 /nfs/dbraw/zinc/03/77/62/557037762.db2.gz QEOIDOAEOWQALB-UHFFFAOYSA-N 0 0 446.572 4.022 50 0 IIAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc(Cl)cc1Cl ZINC000017208394 557038863 /nfs/dbraw/zinc/03/88/63/557038863.db2.gz XQMHZDSNHJQEEW-AWEZNQCLSA-N 0 0 436.686 4.422 50 0 IIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc4c(c3)OCO4)sc2c1 ZINC000033271645 557049686 /nfs/dbraw/zinc/04/96/86/557049686.db2.gz JYGJVPDXYIQILP-AWEZNQCLSA-N 0 0 434.477 4.002 50 0 IIAARN Cc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 ZINC000013962812 557053635 /nfs/dbraw/zinc/05/36/35/557053635.db2.gz WFODANOVIDTTIW-UHFFFAOYSA-N 0 0 429.528 4.445 50 0 IIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@@H]2c2ccc(C)o2)cc1 ZINC000048288796 557053900 /nfs/dbraw/zinc/05/39/00/557053900.db2.gz JDPAMBAGYMONHV-RPBOFIJWSA-N 0 0 446.503 4.255 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)s1 ZINC000048290840 557055377 /nfs/dbraw/zinc/05/53/77/557055377.db2.gz KHIJPNAKANZHTB-FQEVSTJZSA-N 0 0 434.521 4.127 50 0 IIAARN CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2nc1CC ZINC000022973990 557055463 /nfs/dbraw/zinc/05/54/63/557055463.db2.gz OCUXYXRWOLPZQB-CALCHBBNSA-N 0 0 446.551 4.256 50 0 IIAARN COCCn1cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)ccc1=O ZINC000048276158 557056487 /nfs/dbraw/zinc/05/64/87/557056487.db2.gz UVNKNNGBRHSWFW-FQEVSTJZSA-N 0 0 449.938 4.191 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2cccs2)C[C@H]2CCCO2)s1 ZINC000023004250 557056851 /nfs/dbraw/zinc/05/68/51/557056851.db2.gz UCQUMHNQLLIMCD-MRXNPFEDSA-N 0 0 432.546 4.172 50 0 IIAARN CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000017316878 557057277 /nfs/dbraw/zinc/05/72/77/557057277.db2.gz ONJHZXZONWXQAV-IBGZPJMESA-N 0 0 439.516 4.465 50 0 IIAARN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000048280225 557057903 /nfs/dbraw/zinc/05/79/03/557057903.db2.gz CKAUTTKJXYZIQB-UHFFFAOYSA-N 0 0 436.443 4.287 50 0 IIAARN COC(=O)c1cn(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 ZINC000023054355 557060168 /nfs/dbraw/zinc/06/01/68/557060168.db2.gz JATNHLSFCMXORH-XMMPIXPASA-N 0 0 436.508 4.103 50 0 IIAARN CC[C@@H](C)[C@@H](C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000048301805 557063026 /nfs/dbraw/zinc/06/30/26/557063026.db2.gz HPRUYCPQSYOPQF-NTKDMRAZSA-N 0 0 436.552 4.237 50 0 IIAARN COc1ccc(NC(=O)N[C@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000032949040 557063358 /nfs/dbraw/zinc/06/33/58/557063358.db2.gz CYBOFXXXVICYDK-LJQANCHMSA-N 0 0 434.492 4.408 50 0 IIAARN CCc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)cc1 ZINC000033284417 557063498 /nfs/dbraw/zinc/06/34/98/557063498.db2.gz VSRYMMHXUFWTRN-UHFFFAOYSA-N 0 0 449.511 4.414 50 0 IIAARN COC(=O)c1ccc(C)cc1NC(=O)N[C@@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949109 557063875 /nfs/dbraw/zinc/06/38/75/557063875.db2.gz 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CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2N)c(C)o1 ZINC000033291845 557069992 /nfs/dbraw/zinc/06/99/92/557069992.db2.gz DRWAUUOFXWNSNM-UHFFFAOYSA-N 0 0 446.511 4.140 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 ZINC000033289569 557071153 /nfs/dbraw/zinc/07/11/53/557071153.db2.gz GTYMLVXXFBBJNC-CDXDBMBRSA-N 0 0 446.507 4.123 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000048345445 557071988 /nfs/dbraw/zinc/07/19/88/557071988.db2.gz JNBKJSZCJXANLN-UHFFFAOYSA-N 0 0 442.368 4.230 50 0 IIAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000033290143 557072311 /nfs/dbraw/zinc/07/23/11/557072311.db2.gz QFGVBZIAZAAAGT-UHFFFAOYSA-N 0 0 448.639 4.209 50 0 IIAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2nccn2C)c2ccccc2)c(Br)c1 ZINC000048361790 557073604 /nfs/dbraw/zinc/07/36/04/557073604.db2.gz RTDMNNBZYHBVGQ-KXBFYZLASA-N 0 0 428.330 4.164 50 0 IIAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2sccc2C1)c1ccc(F)cc1 ZINC000010885711 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CCc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(CC)cc3)cccn12 ZINC000049405047 557100082 /nfs/dbraw/zinc/10/00/82/557100082.db2.gz RBAUGMLUAZXBHS-UHFFFAOYSA-N 0 0 438.528 4.389 50 0 IIAARN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1)c1cccc(Cl)c1 ZINC000049406788 557102248 /nfs/dbraw/zinc/10/22/48/557102248.db2.gz DQLJTUVTEWUMBK-UHFFFAOYSA-N 0 0 443.334 4.418 50 0 IIAARN COc1cc(COCC2CCN(C(=O)CSCc3ccccc3)CC2)cc(OC)c1 ZINC000585146662 557103231 /nfs/dbraw/zinc/10/32/31/557103231.db2.gz XNWDXUHKFMMTJT-UHFFFAOYSA-N 0 0 429.582 4.392 50 0 IIAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1cccnc1 ZINC000033320683 557104235 /nfs/dbraw/zinc/10/42/35/557104235.db2.gz SHTXUMMQMPTOEF-UHFFFAOYSA-N 0 0 433.899 4.366 50 0 IIAARN COc1cccc2cc(C(=O)N3CCC(Cn4nc(-c5ccccc5)ccc4=O)CC3)oc21 ZINC000585147534 557104847 /nfs/dbraw/zinc/10/48/47/557104847.db2.gz GRPAUYPJXOPIKF-UHFFFAOYSA-N 0 0 443.503 4.218 50 0 IIAARN CCCCc1c(C)n(CC(=O)Nc2ccc(C)cc2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324713 557106609 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557135143 /nfs/dbraw/zinc/13/51/43/557135143.db2.gz QQEGJMFXWFLHOW-UHFFFAOYSA-N 0 0 426.513 4.324 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000024176941 557139688 /nfs/dbraw/zinc/13/96/88/557139688.db2.gz JZOGOQICNAXQER-UHFFFAOYSA-N 0 0 430.304 4.349 50 0 IIAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NC[C@H]1CCCO1 ZINC000000707459 557140596 /nfs/dbraw/zinc/14/05/96/557140596.db2.gz QHEOSUHDSJMOTC-CQSZACIVSA-N 0 0 445.541 4.075 50 0 IIAARN COc1ccc(-c2noc(COC(=O)c3cccnc3Oc3ccccc3)n2)cc1OC ZINC000024266715 557142345 /nfs/dbraw/zinc/14/23/45/557142345.db2.gz YGYFDCFZVJKMOO-UHFFFAOYSA-N 0 0 433.420 4.298 50 0 IIAARN Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)c1 ZINC000011416883 557143256 /nfs/dbraw/zinc/14/32/56/557143256.db2.gz RXVKGHXXIIZVSJ-NRFANRHFSA-N 0 0 427.932 4.168 50 0 IIAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000024360438 557145332 /nfs/dbraw/zinc/14/53/32/557145332.db2.gz VVZUNCVBTXUEBF-ZWKOTPCHSA-N 0 0 435.549 4.400 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000024396174 557146382 /nfs/dbraw/zinc/14/63/82/557146382.db2.gz AOZHOWPWHFVLBT-UHFFFAOYSA-N 0 0 448.530 4.451 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C3CC3)nc3ccccc31)CC2 ZINC000010946775 557146760 /nfs/dbraw/zinc/14/67/60/557146760.db2.gz WCSUVPRYAZPYKL-UHFFFAOYSA-N 0 0 435.549 4.201 50 0 IIAARN O=C(Cn1cnc2ccccc2c1=O)O[C@H](c1ccccc1)c1ccccc1Br ZINC000072288226 557148106 /nfs/dbraw/zinc/14/81/06/557148106.db2.gz JQBOGNYRWYJRKO-JOCHJYFZSA-N 0 0 449.304 4.492 50 0 IIAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000011444479 557148370 /nfs/dbraw/zinc/14/83/70/557148370.db2.gz GTBFWPBLQDLBAX-UHFFFAOYSA-N 0 0 430.819 4.441 50 0 IIAARN O=C(NCc1ccc(CN2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000024527855 557150198 /nfs/dbraw/zinc/15/01/98/557150198.db2.gz SGAHXCCMLDAQRT-UHFFFAOYSA-N 0 0 429.564 4.431 50 0 IIAARN Cc1c(C(=O)NC2=NCCS2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000011499143 557154111 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FC(F)(F)c1cccc(Cc2noc(CN3CCN(c4ccc(Cl)cn4)CC3)n2)c1 ZINC000095348799 557156779 /nfs/dbraw/zinc/15/67/79/557156779.db2.gz BITPXRXRDNBETM-UHFFFAOYSA-N 0 0 437.853 4.050 50 0 IIAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024658588 557157618 /nfs/dbraw/zinc/15/76/18/557157618.db2.gz YXHWFOLAQIEHHC-XMMPIXPASA-N 0 0 429.545 4.312 50 0 IIAARN CC(=O)N(c1nc(COC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cs1)c1ccccc1F ZINC000010954315 557157676 /nfs/dbraw/zinc/15/76/76/557157676.db2.gz WRWGVCHFJCRCCH-XCLFUZPHSA-N 0 0 442.468 4.239 50 0 IIAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Br)cc4)c3)C(=O)[C@@H]21 ZINC000095496427 557158057 /nfs/dbraw/zinc/15/80/57/557158057.db2.gz JBCBMBMCISTXFL-UPRAQXHNSA-N 0 0 439.309 4.403 50 0 IIAARN CC(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(C(C)C)c1 ZINC000024682920 557158740 /nfs/dbraw/zinc/15/87/40/557158740.db2.gz BISPOPSZNUNHMN-UHFFFAOYSA-N 0 0 432.568 4.128 50 0 IIAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000024716164 557160506 /nfs/dbraw/zinc/16/05/06/557160506.db2.gz MXHOFWBBSPAZRN-UHFFFAOYSA-N 0 0 444.487 4.380 50 0 IIAARN O=C(CCCn1c(=O)oc2ccccc21)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024729840 557161026 /nfs/dbraw/zinc/16/10/26/557161026.db2.gz RNUNDKILCUGKET-NRFANRHFSA-N 0 0 440.503 4.351 50 0 IIAARN CCCOc1ccc2ccccc2c1CN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000024747255 557161804 /nfs/dbraw/zinc/16/18/04/557161804.db2.gz JUUBKCFDDAMPBN-UHFFFAOYSA-N 0 0 445.519 4.284 50 0 IIAARN O=C(CCc1ccccc1Br)NC[C@H]1CCCN1c1nc2ccccc2o1 ZINC000206772506 557162063 /nfs/dbraw/zinc/16/20/63/557162063.db2.gz NQYXLQCONFIHKX-MRXNPFEDSA-N 0 0 428.330 4.308 50 0 IIAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(-c2cccs2)cc1 ZINC000206799595 557164148 /nfs/dbraw/zinc/16/41/48/557164148.db2.gz RFWGISRPVFWYLR-PKOBYXMFSA-N 0 0 425.481 4.389 50 0 IIAARN CC(C)(C)c1ccc(OCCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000024769167 557165588 /nfs/dbraw/zinc/16/55/88/557165588.db2.gz BYRPCLYDFVNIKW-UHFFFAOYSA-N 0 0 435.973 4.139 50 0 IIAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccccc1-c1cn2ccsc2n1 ZINC000206895182 557165646 /nfs/dbraw/zinc/16/56/46/557165646.db2.gz QZIXXWGRXTURSS-UHFFFAOYSA-N 0 0 445.479 4.064 50 0 IIAARN CCCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000024830926 557165790 /nfs/dbraw/zinc/16/57/90/557165790.db2.gz KVUFJJDTYSVMDG-OAQYLSRUSA-N 0 0 442.512 4.260 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000003154900 557166754 /nfs/dbraw/zinc/16/67/54/557166754.db2.gz XNRJMKREQWDQBA-QQNJPBSNSA-N 0 0 427.887 4.480 50 0 IIAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000207001926 557170244 /nfs/dbraw/zinc/17/02/44/557170244.db2.gz ZZWCAYBUCWWQQY-GOSISDBHSA-N 0 0 440.974 4.387 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c1 ZINC000207000993 557170292 /nfs/dbraw/zinc/17/02/92/557170292.db2.gz GNOIXICYFWNBGD-SFHVURJKSA-N 0 0 427.975 4.226 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)cc2)cc1 ZINC000024836541 557172310 /nfs/dbraw/zinc/17/23/10/557172310.db2.gz PMAMHVSNHVFTII-SFHVURJKSA-N 0 0 447.491 4.031 50 0 IIAARN CC(C)c1ccc(-c2csc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000024836951 557172340 /nfs/dbraw/zinc/17/23/40/557172340.db2.gz USOKORKKRLGFSH-UHFFFAOYSA-N 0 0 429.567 4.152 50 0 IIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000024871003 557175738 /nfs/dbraw/zinc/17/57/38/557175738.db2.gz OSIOHPRKLKJYAF-OAHLLOKOSA-N 0 0 425.558 4.455 50 0 IIAARN Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000024874442 557175977 /nfs/dbraw/zinc/17/59/77/557175977.db2.gz YINHINVKRHMWTO-UHFFFAOYSA-N 0 0 442.972 4.004 50 0 IIAARN COc1ccc2nc(C(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000024882312 557178215 /nfs/dbraw/zinc/17/82/15/557178215.db2.gz UAAKTYKKBSGKHC-UHFFFAOYSA-N 0 0 441.443 4.477 50 0 IIAARN COc1cc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc(OC)c1OC ZINC000024924588 557179356 /nfs/dbraw/zinc/17/93/56/557179356.db2.gz HSHRLDXECADNDO-UHFFFAOYSA-N 0 0 438.509 4.128 50 0 IIAARN Cc1ccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c2c1[C@H](C)CC2=O ZINC000024924964 557179376 /nfs/dbraw/zinc/17/93/76/557179376.db2.gz FVDKUYAFGRGCBP-MRXNPFEDSA-N 0 0 427.570 4.391 50 0 IIAARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cc(Cl)ccc1F ZINC000024935850 557181161 /nfs/dbraw/zinc/18/11/61/557181161.db2.gz KAMLEMRLKXIHCA-UHFFFAOYSA-N 0 0 439.921 4.126 50 0 IIAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1S[C@H](C)c1nc(C)no1 ZINC000024982651 557185600 /nfs/dbraw/zinc/18/56/00/557185600.db2.gz XIVQUZWJLFYTSP-LLVKDONJSA-N 0 0 446.529 4.455 50 0 IIAARN CCc1noc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CC[C@@H](C)C4)n1 ZINC000024988682 557187022 /nfs/dbraw/zinc/18/70/22/557187022.db2.gz ZHJZXVAGNTZPFC-GFCCVEGCSA-N 0 0 442.566 4.462 50 0 IIAARN CCCc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 ZINC000024371208 557189454 /nfs/dbraw/zinc/18/94/54/557189454.db2.gz NLABOQUPYUOCIV-UHFFFAOYSA-N 0 0 438.336 4.293 50 0 IIAARN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009699290 557191390 /nfs/dbraw/zinc/19/13/90/557191390.db2.gz ILOASKZAMQCJPI-UHFFFAOYSA-N 0 0 438.553 4.427 50 0 IIAARN O=C(Cn1cnc2cc(F)ccc2c1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000025053275 557191684 /nfs/dbraw/zinc/19/16/84/557191684.db2.gz KKBLIEUXJMLWPX-NRFANRHFSA-N 0 0 431.492 4.416 50 0 IIAARN CCc1noc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)n1 ZINC000025060638 557193242 /nfs/dbraw/zinc/19/32/42/557193242.db2.gz CBGKGKRBRDYQFI-UHFFFAOYSA-N 0 0 443.330 4.330 50 0 IIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025146263 557196821 /nfs/dbraw/zinc/19/68/21/557196821.db2.gz LXZOOERVIODCFM-FYYLOGMGSA-N 0 0 428.517 4.272 50 0 IIAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151807 557197115 /nfs/dbraw/zinc/19/71/15/557197115.db2.gz OFTKJKKMVBUSGD-AWEZNQCLSA-N 0 0 425.510 4.225 50 0 IIAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000025165271 557197997 /nfs/dbraw/zinc/19/79/97/557197997.db2.gz HCXNRBRDCCAGLV-JOCHJYFZSA-N 0 0 428.985 4.243 50 0 IIAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000793881 557200572 /nfs/dbraw/zinc/20/05/72/557200572.db2.gz PEXWJKJUJSRIAR-UHFFFAOYSA-N 0 0 432.933 4.270 50 0 IIAARN CC(C)C(=O)N1CCC(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000025245754 557201042 /nfs/dbraw/zinc/20/10/42/557201042.db2.gz BVGIVJYLADVJKY-UHFFFAOYSA-N 0 0 436.581 4.232 50 0 IIAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O ZINC000011584104 557204814 /nfs/dbraw/zinc/20/48/14/557204814.db2.gz JAJWAVAHEIWHAG-QFIPXVFZSA-N 0 0 449.885 4.149 50 0 IIAARN CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677523 557209598 /nfs/dbraw/zinc/20/95/98/557209598.db2.gz JWQOMXXVBZECKT-IRLDBZIGSA-N 0 0 431.502 4.345 50 0 IIAARN CCCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc12 ZINC000011613831 557209949 /nfs/dbraw/zinc/20/99/49/557209949.db2.gz KNWIJEMBAOLRCY-UHFFFAOYSA-N 0 0 429.538 4.167 50 0 IIAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 ZINC000011614256 557210427 /nfs/dbraw/zinc/21/04/27/557210427.db2.gz IJGQJAJSOMWFAT-INIZCTEOSA-N 0 0 427.844 4.495 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)c(C)c1 ZINC000025536543 557213553 /nfs/dbraw/zinc/21/35/53/557213553.db2.gz OLAPPIVCDOOUOC-QFIPXVFZSA-N 0 0 444.572 4.207 50 0 IIAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000025591685 557217936 /nfs/dbraw/zinc/21/79/36/557217936.db2.gz JHGCYXROIWRWIQ-JKSUJKDBSA-N 0 0 426.460 4.338 50 0 IIAARN O=C(COC(=O)c1c(Cl)nc2sccn21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000010991496 557218393 /nfs/dbraw/zinc/21/83/93/557218393.db2.gz HNUFCBJQDPJRKO-UHFFFAOYSA-N 0 0 436.877 4.107 50 0 IIAARN COc1cc(CN(C)C(=O)C[C@@H]2Oc3ccccc3NC2=O)ccc1OCc1ccccc1 ZINC000025621533 557219694 /nfs/dbraw/zinc/21/96/94/557219694.db2.gz USLOOYWJHAYBQF-DEOSSOPVSA-N 0 0 446.503 4.022 50 0 IIAARN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000025653993 557220556 /nfs/dbraw/zinc/22/05/56/557220556.db2.gz PMTRXJZYWBEKIH-UHFFFAOYSA-N 0 0 438.265 4.297 50 0 IIAARN CCOc1ccc(CCC2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cc1 ZINC000010999026 557221606 /nfs/dbraw/zinc/22/16/06/557221606.db2.gz WKAABZTUWSCQPS-UHFFFAOYSA-N 0 0 433.552 4.057 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nccn1-c1ccc(C)cc1C)CC2 ZINC000025760773 557224414 /nfs/dbraw/zinc/22/44/14/557224414.db2.gz WPZJJHRRUVQFEJ-UHFFFAOYSA-N 0 0 437.565 4.183 50 0 IIAARN COc1cc(-c2nnc(COC(=O)c3cccc(Cl)c3Cl)o2)cc(OC)c1OC ZINC000011029616 557226764 /nfs/dbraw/zinc/22/67/64/557226764.db2.gz VGUZGOOLUGLNLA-UHFFFAOYSA-N 0 0 439.251 4.426 50 0 IIAARN COc1ccc(OC)c(CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C2CC2)c1 ZINC000025808826 557227380 /nfs/dbraw/zinc/22/73/80/557227380.db2.gz BYLFBPCPJVSHCU-UHFFFAOYSA-N 0 0 435.499 4.322 50 0 IIAARN CC(C)c1ccc(-c2nc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000025820391 557227801 /nfs/dbraw/zinc/22/78/01/557227801.db2.gz KSRAPLOHICCNCD-GOSISDBHSA-N 0 0 444.578 4.356 50 0 IIAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000000808232 557228265 /nfs/dbraw/zinc/22/82/65/557228265.db2.gz ZZFQADWGLZSNRY-HXUWFJFHSA-N 0 0 445.903 4.023 50 0 IIAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000025842540 557228454 /nfs/dbraw/zinc/22/84/54/557228454.db2.gz ISFDBFSJRAUCAW-ZDUSSCGKSA-N 0 0 427.478 4.264 50 0 IIAARN COc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4OC)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000000809732 557228931 /nfs/dbraw/zinc/22/89/31/557228931.db2.gz JGRDSULWQKHJGG-UHFFFAOYSA-N 0 0 446.503 4.262 50 0 IIAARN O=C(NCC[C@H](O)c1ccccc1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000072303059 557229339 /nfs/dbraw/zinc/22/93/39/557229339.db2.gz RKAAKGBVAMRVCH-IBGZPJMESA-N 0 0 427.298 4.490 50 0 IIAARN COc1ccc([C@@H](CC(=O)Oc2ccc(Br)cc2Cl)NC(C)=O)cc1 ZINC000011465860 557229401 /nfs/dbraw/zinc/22/94/01/557229401.db2.gz QJDJYLSRYIHTLQ-MRXNPFEDSA-N 0 0 426.694 4.284 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)c(OC)c1 ZINC000025933563 557230737 /nfs/dbraw/zinc/23/07/37/557230737.db2.gz OZPWIDYYBMBHBI-IIBYNOLFSA-N 0 0 440.565 4.142 50 0 IIAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC ZINC000011693366 557232278 /nfs/dbraw/zinc/23/22/78/557232278.db2.gz KTBZMCIGXQZEML-UHFFFAOYSA-N 0 0 441.915 4.308 50 0 IIAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cc(Cl)ccc4OC)c3)cn2n1 ZINC000011693454 557232597 /nfs/dbraw/zinc/23/25/97/557232597.db2.gz CVUWDTVPCCLVLG-UHFFFAOYSA-N 0 0 438.871 4.328 50 0 IIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026073514 557233674 /nfs/dbraw/zinc/23/36/74/557233674.db2.gz IDVUULZZULYWMT-HNNXBMFYSA-N 0 0 435.509 4.316 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(F)cc(F)c3)n2)cc1F ZINC000098211470 557234860 /nfs/dbraw/zinc/23/48/60/557234860.db2.gz HWXJCYTUIAZMOD-UHFFFAOYSA-N 0 0 428.370 4.270 50 0 IIAARN Cc1c(O)ccc2c(Cn3nc(-c4ccccc4)cc(C(F)(F)F)c3=O)cc(=O)oc12 ZINC000026125941 557235486 /nfs/dbraw/zinc/23/54/86/557235486.db2.gz YUQVKGUXILMCDY-UHFFFAOYSA-N 0 0 428.366 4.098 50 0 IIAARN CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1OCC ZINC000098212580 557235653 /nfs/dbraw/zinc/23/56/53/557235653.db2.gz KULIEIQLWUCONR-UHFFFAOYSA-N 0 0 434.540 4.273 50 0 IIAARN COc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098212863 557236018 /nfs/dbraw/zinc/23/60/18/557236018.db2.gz MJVWWDJEPMYZOD-UHFFFAOYSA-N 0 0 428.895 4.277 50 0 IIAARN Cc1c(NC(=O)c2cc(=O)[nH]c3ccccc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000026405550 557240650 /nfs/dbraw/zinc/24/06/50/557240650.db2.gz YOWGJGOKZZGHOA-UHFFFAOYSA-N 0 0 443.528 4.349 50 0 IIAARN CCOc1cc(Br)c(COC(=O)c2c(C)cc(=O)oc2C)cc1OCC ZINC000026418524 557240790 /nfs/dbraw/zinc/24/07/90/557240790.db2.gz QJDUZORPTUXMDG-UHFFFAOYSA-N 0 0 425.275 4.174 50 0 IIAARN Cc1c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000026415364 557240804 /nfs/dbraw/zinc/24/08/04/557240804.db2.gz XQGMQVSGQCSXHJ-IBGZPJMESA-N 0 0 445.544 4.320 50 0 IIAARN O=C(CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1F ZINC000026456984 557241310 /nfs/dbraw/zinc/24/13/10/557241310.db2.gz MOIILWCQHXYVFN-KRWDZBQOSA-N 0 0 428.266 4.313 50 0 IIAARN CCOc1ccccc1CNC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 ZINC000583648189 557241598 /nfs/dbraw/zinc/24/15/98/557241598.db2.gz CNAFCSPZQAOJTD-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN Cc1sc(-n2cnnn2)c(C(=O)NCC[C@@H](c2ccco2)c2ccc(F)cc2)c1C ZINC000583652512 557242153 /nfs/dbraw/zinc/24/21/53/557242153.db2.gz FYAUEUYOTWFTTI-QGZVFWFLSA-N 0 0 425.489 4.025 50 0 IIAARN COc1ccc(CSc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 ZINC000026478611 557242287 /nfs/dbraw/zinc/24/22/87/557242287.db2.gz NEDCWOAOXPQGSP-UHFFFAOYSA-N 0 0 428.568 4.107 50 0 IIAARN CCOc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1OCC ZINC000026533561 557243422 /nfs/dbraw/zinc/24/34/22/557243422.db2.gz POOKNKUXTXOROV-RCCKNPSSSA-N 0 0 449.576 4.461 50 0 IIAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)cc1OCC ZINC000026534005 557243483 /nfs/dbraw/zinc/24/34/83/557243483.db2.gz DFJMCUIEOYFRPT-CPNJWEJPSA-N 0 0 441.940 4.207 50 0 IIAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 ZINC000026564555 557244775 /nfs/dbraw/zinc/24/47/75/557244775.db2.gz SVTDHLYYPFCDBQ-HTAPYJJXSA-N 0 0 432.492 4.271 50 0 IIAARN CC(=O)N(c1nnc(SC[C@H](O)Cn2c3ccccc3c3ccccc32)s1)C1CC1 ZINC000026992579 557253523 /nfs/dbraw/zinc/25/35/23/557253523.db2.gz WGCSEALQYZAMKO-MRXNPFEDSA-N 0 0 438.578 4.315 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000027016811 557253849 /nfs/dbraw/zinc/25/38/49/557253849.db2.gz NIGYDINQSYWLPU-NRFANRHFSA-N 0 0 429.476 4.082 50 0 IIAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000027017312 557254315 /nfs/dbraw/zinc/25/43/15/557254315.db2.gz HFUFVDVWVSNGBM-AANRDZQQSA-N 0 0 441.336 4.330 50 0 IIAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c12 ZINC000027018613 557254524 /nfs/dbraw/zinc/25/45/24/557254524.db2.gz FEIMREVCAMXKKM-GFCCVEGCSA-N 0 0 432.411 4.309 50 0 IIAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1Br 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COc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1 ZINC000027749172 557273113 /nfs/dbraw/zinc/27/31/13/557273113.db2.gz WHQDCWQZXJUEAX-DEOSSOPVSA-N 0 0 435.524 4.460 50 0 IIAARN N=c1c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 ZINC000101352600 557274932 /nfs/dbraw/zinc/27/49/32/557274932.db2.gz QXSIDXHLNUPXOS-HXUWFJFHSA-N 0 0 433.899 4.294 50 0 IIAARN Cc1nonc1COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000027795369 557274982 /nfs/dbraw/zinc/27/49/82/557274982.db2.gz BZPJPXMYHPOFTN-UHFFFAOYSA-N 0 0 439.522 4.353 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000101401500 557280155 /nfs/dbraw/zinc/28/01/55/557280155.db2.gz IASSNUCBIPWWSA-OAQYLSRUSA-N 0 0 425.554 4.110 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)cc1 ZINC000013098898 557280215 /nfs/dbraw/zinc/28/02/15/557280215.db2.gz OHGKFJFXDDUYIK-UKYUDJEDSA-N 0 0 449.956 4.198 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101391114 557283167 /nfs/dbraw/zinc/28/31/67/557283167.db2.gz BRUGQMCBHYECOY-IBGZPJMESA-N 0 0 431.945 4.004 50 0 IIAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000101227441 557284973 /nfs/dbraw/zinc/28/49/73/557284973.db2.gz QIOJSOVFWYRGAU-FGZHOGPDSA-N 0 0 433.485 4.063 50 0 IIAARN CCN1c2ccc(C)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000101471103 557290535 /nfs/dbraw/zinc/29/05/35/557290535.db2.gz TUGFZCJZJPWBMN-QFIPXVFZSA-N 0 0 439.515 4.396 50 0 IIAARN O=C(Cn1cnc2ccsc2c1=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000031788510 557294063 /nfs/dbraw/zinc/29/40/63/557294063.db2.gz TYAXHHZBUCDIRV-KRWDZBQOSA-N 0 0 444.472 4.175 50 0 IIAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCCCCC1 ZINC000014066261 557295137 /nfs/dbraw/zinc/29/51/37/557295137.db2.gz GDXMZRQETLJCOE-UHFFFAOYSA-N 0 0 446.569 4.424 50 0 IIAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccccc3Cl)C(=O)c3ccco3)nn2c1=O ZINC000101861378 557303966 /nfs/dbraw/zinc/30/39/66/557303966.db2.gz HFYFXCRDAAHWRL-UHFFFAOYSA-N 0 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ZINC000102112706 557312469 /nfs/dbraw/zinc/31/24/69/557312469.db2.gz HMLBUJGTSCOVQM-SANMLTNESA-N 0 0 435.487 4.174 50 0 IIAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)Cn1ccccc1=O ZINC000014170620 557313395 /nfs/dbraw/zinc/31/33/95/557313395.db2.gz UGKPROVTUDIQGS-UHFFFAOYSA-N 0 0 446.938 4.072 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCCCCNC(N)=O)cc1C ZINC000032820355 557315549 /nfs/dbraw/zinc/31/55/49/557315549.db2.gz UXEWFCDEKZFPJE-UHFFFAOYSA-N 0 0 447.583 4.343 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102256539 557316742 /nfs/dbraw/zinc/31/67/42/557316742.db2.gz WCKPVMWGHQCRNZ-NRFANRHFSA-N 0 0 425.554 4.146 50 0 IIAARN Cc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1C ZINC000102288604 557317409 /nfs/dbraw/zinc/31/74/09/557317409.db2.gz IXFFKLOMLOGARK-WOJBJXKFSA-N 0 0 440.565 4.088 50 0 IIAARN COc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc4c(c3)OCO4)C2)cc1OC ZINC000102286259 557317428 /nfs/dbraw/zinc/31/74/28/557317428.db2.gz DAHMQQWXXYKOAD-CQSZACIVSA-N 0 0 446.385 4.099 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1C ZINC000102289037 557317812 /nfs/dbraw/zinc/31/78/12/557317812.db2.gz NBRJGTMIMDAWJB-SFTDATJTSA-N 0 0 440.565 4.088 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(F)ccc3C)C(=O)C2)c1 ZINC000102426387 557322017 /nfs/dbraw/zinc/32/20/17/557322017.db2.gz WETIQODSFJDZOD-UHFFFAOYSA-N 0 0 432.455 4.034 50 0 IIAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCCOC(C)C)cc3)n2)cc1 ZINC000032999043 557322198 /nfs/dbraw/zinc/32/21/98/557322198.db2.gz HGMNRYRGTKITJI-UHFFFAOYSA-N 0 0 437.565 4.237 50 0 IIAARN CC(C)CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000033114267 557324165 /nfs/dbraw/zinc/32/41/65/557324165.db2.gz MWTDAECPGROOBN-UHFFFAOYSA-N 0 0 442.516 4.284 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3ncnc4onc(-c5cccc(F)c5)c43)CC2)cc1 ZINC000033085013 557324238 /nfs/dbraw/zinc/32/42/38/557324238.db2.gz BDJLJGNGCZCCHN-UHFFFAOYSA-N 0 0 445.498 4.265 50 0 IIAARN O=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Br)cc1 ZINC000033114633 557324321 /nfs/dbraw/zinc/32/43/21/557324321.db2.gz CWJPCNSRGYBCEU-UHFFFAOYSA-N 0 0 447.232 4.492 50 0 IIAARN CCc1cccc(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)c1 ZINC000033171031 557326578 /nfs/dbraw/zinc/32/65/78/557326578.db2.gz CZZYZGGFGXSAPQ-RAXLEYEMSA-N 0 0 425.510 4.475 50 0 IIAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000033272904 557328930 /nfs/dbraw/zinc/32/89/30/557328930.db2.gz PVMAQMLXWJXQEY-UHFFFAOYSA-N 0 0 426.929 4.464 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC(n2cnc3cc(F)ccc3c2=O)CC1 ZINC000033278405 557329182 /nfs/dbraw/zinc/32/91/82/557329182.db2.gz FSLNDIDBNIHTFT-UHFFFAOYSA-N 0 0 430.867 4.067 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)c1 ZINC000033277321 557329197 /nfs/dbraw/zinc/32/91/97/557329197.db2.gz ZEQQAESHGBHAEV-UHFFFAOYSA-N 0 0 444.579 4.181 50 0 IIAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4cccs4)no3)c2C)c(C)o1 ZINC000033296944 557330493 /nfs/dbraw/zinc/33/04/93/557330493.db2.gz FPARYJKKXWPMPW-UHFFFAOYSA-N 0 0 434.481 4.385 50 0 IIAARN CCn1c(=O)c2snc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000033300261 557331109 /nfs/dbraw/zinc/33/11/09/557331109.db2.gz FNMCGXSJFOEKEW-UHFFFAOYSA-N 0 0 440.525 4.410 50 0 IIAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)c1cccc[n+]1[O-] ZINC000071999622 557334275 /nfs/dbraw/zinc/33/42/75/557334275.db2.gz IOOFWYSHLHXWGT-UHFFFAOYSA-N 0 0 428.217 4.282 50 0 IIAARN COC(=O)c1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023330326 557341214 /nfs/dbraw/zinc/34/12/14/557341214.db2.gz UBGOFCDSJDUWOV-VWLOTQADSA-N 0 0 428.532 4.329 50 0 IIAARN CC(C)CCC(=O)N1CCN(c2nc3nccc(-c4ccc(C(C)(C)C)cc4)n3n2)CC1 ZINC000023333179 557346979 /nfs/dbraw/zinc/34/69/79/557346979.db2.gz HJSZJDBBRQONLE-UHFFFAOYSA-N 0 0 434.588 4.174 50 0 IIAARN C[C@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011677180 557350503 /nfs/dbraw/zinc/35/05/03/557350503.db2.gz FYGHXCUQSVXXFL-VIFPVBQESA-N 0 0 431.827 4.106 50 0 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Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n1 ZINC000220805359 557367078 /nfs/dbraw/zinc/36/70/78/557367078.db2.gz APFQMWCTZQKCEW-QGZVFWFLSA-N 0 0 429.476 4.246 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)N2C(CC(=O)NC(C)C)=CSC2=N1 ZINC000102744228 557377040 /nfs/dbraw/zinc/37/70/40/557377040.db2.gz WLXGHQCINSZVOC-HXUWFJFHSA-N 0 0 431.533 4.267 50 0 IIAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c(OC)c1OC ZINC000102751330 557382890 /nfs/dbraw/zinc/38/28/90/557382890.db2.gz WNOCUXJTJRCUEH-VOJFVSQTSA-N 0 0 438.440 4.317 50 0 IIAARN CC1(C)Cc2cccc(OCCNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2O1 ZINC000024451075 557387260 /nfs/dbraw/zinc/38/72/60/557387260.db2.gz RYTLHUBZENNOTE-UHFFFAOYSA-N 0 0 430.504 4.461 50 0 IIAARN O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)NCc1c(F)cccc1F ZINC000011695009 557392978 /nfs/dbraw/zinc/39/29/78/557392978.db2.gz HRFDYFZETLDVDL-UHFFFAOYSA-N 0 0 436.480 4.394 50 0 IIAARN CCn1nc(C)cc1C(=O)N(Cc1ccccn1)c1nc2c(s1)c(OC)ccc2OC ZINC000011696046 557394153 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448.422 4.327 50 0 IIAARN O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(I)ccc1Cl ZINC000147640315 557841709 /nfs/dbraw/zinc/84/17/09/557841709.db2.gz WBBJCIOCSVFCNI-AWEZNQCLSA-N 0 0 428.653 4.343 50 0 IIAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@@H]3CCOC3)c2)cc1 ZINC000241653386 557846789 /nfs/dbraw/zinc/84/67/89/557846789.db2.gz PURPTRJYBCDXQZ-AZUAARDMSA-N 0 0 444.597 4.293 50 0 IIAARN FC(F)(F)Cn1cnc([C@@H]2COCCN2c2ncnc3sc(-c4ccccc4)cc32)n1 ZINC000241923268 557847106 /nfs/dbraw/zinc/84/71/06/557847106.db2.gz UEMBSCHVTYKAPH-HNNXBMFYSA-N 0 0 446.458 4.090 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000000877886 557848617 /nfs/dbraw/zinc/84/86/17/557848617.db2.gz HMPMXRWESNIDBX-UHFFFAOYSA-N 0 0 431.521 4.128 50 0 IIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3n2)c1 ZINC000000884357 557854772 /nfs/dbraw/zinc/85/47/72/557854772.db2.gz CBVXRNPTCUZQQU-UHFFFAOYSA-N 0 0 444.388 4.493 50 0 IIAARN COc1cccc(C(=O)NCC(=O)OCc2cc3ccc(SC)cc3nc2Cl)c1 ZINC000018773621 557858217 /nfs/dbraw/zinc/85/82/17/557858217.db2.gz XHRIUJSZTHGSMX-UHFFFAOYSA-N 0 0 430.913 4.092 50 0 IIAARN COc1ccc2[nH]c(C)c(CCNC(=O)[C@H]3CCCC[C@@H]3C(=O)OCC(F)(F)F)c2c1 ZINC000001423644 560180535 /nfs/dbraw/zinc/18/05/35/560180535.db2.gz ZUXLEFNPFXHKRL-IRXDYDNUSA-N 0 0 440.462 4.056 50 0 biogenic,in-vitro IIAARN COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1 ZINC000001017541 562920041 /nfs/dbraw/zinc/92/00/41/562920041.db2.gz PSEBWSHGDNBMOH-UHFFFAOYSA-N 0 0 447.564 4.307 50 0 aggregator IIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1 ZINC000001393623 562921661 /nfs/dbraw/zinc/92/16/61/562921661.db2.gz BYIOHCMQONTNDU-UHFFFAOYSA-N 0 0 433.411 4.257 50 0 IIAARN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc32)ccc1Br ZINC000001430058 562921893 /nfs/dbraw/zinc/92/18/93/562921893.db2.gz YFPAMSLHQBZVLH-UHFFFAOYSA-N 0 0 437.359 4.077 50 0 IIAARN CC(C)OCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002421260 562927537 /nfs/dbraw/zinc/92/75/37/562927537.db2.gz 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COc1cc(CCC(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc(OC)c1OC ZINC000003241978 562933257 /nfs/dbraw/zinc/93/32/57/562933257.db2.gz IBJJMRNEVRYTBS-UHFFFAOYSA-N 0 0 442.295 4.134 50 0 IIAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657683 562937504 /nfs/dbraw/zinc/93/75/04/562937504.db2.gz YNIBJVBFIAZVRV-RPWUZVMVSA-N 0 0 446.503 4.262 50 0 IIAARN COc1ccc(CCNC(=O)CSc2nc(C)nc3c4ccccc4oc32)cc1OC ZINC000004296086 562943118 /nfs/dbraw/zinc/94/31/18/562943118.db2.gz YRHUBGRSVRPWEV-UHFFFAOYSA-N 0 0 437.521 4.153 50 0 IIAARN CCOC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)c2c1C(=O)N(c1ccc(C)cc1)C2=O ZINC000008452319 562949496 /nfs/dbraw/zinc/94/94/96/562949496.db2.gz ZGRKARDZFYUSJG-UHFFFAOYSA-N 0 0 433.508 4.094 50 0 IIAARN Cc1nnc2nc(SCC(=O)Nc3cccc(C)c3)n(-c3cccc(Cl)c3)c(N)c1-2 ZINC000008583952 562949933 /nfs/dbraw/zinc/94/99/33/562949933.db2.gz WKDHPOOFWCZQGX-UHFFFAOYSA-N 0 0 438.944 4.229 50 0 IIAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(Cl)cc2)c1=O)Nc1ccccc1 ZINC000008589116 562951109 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CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008917458 562966054 /nfs/dbraw/zinc/96/60/54/562966054.db2.gz ACOOUUBOFLMXHP-UHFFFAOYSA-N 0 0 445.928 4.063 50 0 IIAARN O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)cs1)Nc1ccc(F)cc1 ZINC000008979969 562966490 /nfs/dbraw/zinc/96/64/90/562966490.db2.gz GFNJBIPKOFVYLB-UHFFFAOYSA-N 0 0 443.479 4.028 50 0 IIAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccco5)nc4c32)cc1OC ZINC000009159333 562967914 /nfs/dbraw/zinc/96/79/14/562967914.db2.gz IXSRJTQTJFIGLK-FQEVSTJZSA-N 0 0 442.431 4.393 50 0 IIAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000009237733 562968368 /nfs/dbraw/zinc/96/83/68/562968368.db2.gz ATYMFIFVJFKAGR-UHFFFAOYSA-N 0 0 434.517 4.241 50 0 IIAARN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000009500237 562972297 /nfs/dbraw/zinc/97/22/97/562972297.db2.gz PNEZHJTYJKVKSX-UHFFFAOYSA-N 0 0 439.562 4.433 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)CCN4C(=O)NC5(CCCC5)C4=O)cc3)sc2c1 ZINC000009642813 562974660 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/nfs/dbraw/zinc/75/00/04/568750004.db2.gz LRBDSSCNGQJSBA-UHFFFAOYSA-N 0 0 439.537 4.436 50 0 IIAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OCC)c(=O)n3n2)cc1 ZINC000003648995 568752615 /nfs/dbraw/zinc/75/26/15/568752615.db2.gz MZCBBDZSDOJJID-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(C)Cc1ccsc1)CC2 ZINC000015297372 568754993 /nfs/dbraw/zinc/75/49/93/568754993.db2.gz CCSWGKSSVYQXCO-VWLOTQADSA-N 0 0 436.577 4.371 50 0 IIAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000015351531 568758863 /nfs/dbraw/zinc/75/88/63/568758863.db2.gz KJKIZQFMIOOHEH-UHFFFAOYSA-N 0 0 435.911 4.080 50 0 IIAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000263585190 568758986 /nfs/dbraw/zinc/75/89/86/568758986.db2.gz GBUSOKFZVOAPFK-VXKWHMMOSA-N 0 0 434.540 4.164 50 0 biogenic IIAARN CCOC(=O)C(=Cc1ccc(C)cc1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000015352763 568759030 /nfs/dbraw/zinc/75/90/30/568759030.db2.gz QNFMERHMCXZEOO-UYRXBGFRSA-N 0 0 434.521 4.219 50 0 IIAARN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000004063317 568760108 /nfs/dbraw/zinc/76/01/08/568760108.db2.gz ITSCQCNNKPDZBV-JTJYXVOQSA-N 0 0 425.525 4.221 50 0 biogenic IIAARN CC[C@H](C)[C@H](NC(=O)COc1cccc2c1ccn2CCOC)c1nc2ccccc2[nH]1 ZINC000263587302 568760664 /nfs/dbraw/zinc/76/06/64/568760664.db2.gz FHXIVKGWHFKBNE-XDHUDOTRSA-N 0 0 434.540 4.446 50 0 IIAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)N1CCN(CCc2ccncc2)CC1 ZINC000263588827 568761117 /nfs/dbraw/zinc/76/11/17/568761117.db2.gz YXWCMLXBCBFFNS-MHZLTWQESA-N 0 0 438.575 4.403 50 0 IIAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O ZINC000001235235 568762347 /nfs/dbraw/zinc/76/23/47/568762347.db2.gz FODXBATVKMUUFQ-QFIPXVFZSA-N 0 0 428.444 4.351 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2cccnc2)N2CCOCC2)cc1 ZINC000001236176 568768144 /nfs/dbraw/zinc/76/81/44/568768144.db2.gz NFCOHJYSBJQJOW-QFIPXVFZSA-N 0 0 437.565 4.442 50 0 IIAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cc(OC)ccc4nc3Cl)C2)cc1 ZINC000001242067 568774491 /nfs/dbraw/zinc/77/44/91/568774491.db2.gz IMXPPYWNASNTNV-HXUWFJFHSA-N 0 0 445.928 4.016 50 0 IIAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001239437 568774522 /nfs/dbraw/zinc/77/45/22/568774522.db2.gz RJAXWQXNUFMWAA-ZDUSSCGKSA-N 0 0 444.578 4.261 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1OC ZINC000263616619 568776712 /nfs/dbraw/zinc/77/67/12/568776712.db2.gz JTEVGFUQTPJBBZ-QGZVFWFLSA-N 0 0 427.888 4.313 50 0 IIAARN CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001299513 568778968 /nfs/dbraw/zinc/77/89/68/568778968.db2.gz IGGCZSMILFNNPD-OAHLLOKOSA-N 0 0 426.567 4.223 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)C12CCCC2 ZINC000032103843 568781024 /nfs/dbraw/zinc/78/10/24/568781024.db2.gz JAFQTDGRBFQLTQ-OAQYLSRUSA-N 0 0 442.943 4.486 50 0 IIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452815 568781742 /nfs/dbraw/zinc/78/17/42/568781742.db2.gz UGGMDVUBGBRMPV-RUZDIDTESA-N 0 0 443.547 4.401 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl ZINC000001359634 568781915 /nfs/dbraw/zinc/78/19/15/568781915.db2.gz KRSUHZBXKHBKHQ-HNNXBMFYSA-N 0 0 435.908 4.406 50 0 IIAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)c1 ZINC000045896441 568783046 /nfs/dbraw/zinc/78/30/46/568783046.db2.gz LKLWMAFRCUXYKM-UHFFFAOYSA-N 0 0 449.595 4.161 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 ZINC000004163907 568783048 /nfs/dbraw/zinc/78/30/48/568783048.db2.gz KMEMJWLKDIMWMN-QHCPKHFHSA-N 0 0 430.508 4.427 50 0 IIAARN CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000083852365 568783223 /nfs/dbraw/zinc/78/32/23/568783223.db2.gz JGEXOOGMMBHJAB-LBPRGKRZSA-N 0 0 436.737 4.160 50 0 IIAARN COc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccncc3)no2)cc1 ZINC000045939270 568783372 /nfs/dbraw/zinc/78/33/72/568783372.db2.gz PPMZSSKBYYGGHP-UHFFFAOYSA-N 0 0 449.517 4.193 50 0 IIAARN Cc1c(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000004583391 568783902 /nfs/dbraw/zinc/78/39/02/568783902.db2.gz NYJNQBYPJVLNRV-UHFFFAOYSA-N 0 0 440.547 4.125 50 0 IIAARN COc1ccccc1N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000083869763 568784008 /nfs/dbraw/zinc/78/40/08/568784008.db2.gz RGTXHZFYVAZTJU-UHFFFAOYSA-N 0 0 426.314 4.409 50 0 IIAARN COC(=O)c1cc(F)cc(I)c1NC(=O)Cc1ccccc1Cl ZINC000083895639 568784959 /nfs/dbraw/zinc/78/49/59/568784959.db2.gz CUKQANPHUAGNSK-UHFFFAOYSA-N 0 0 447.631 4.052 50 0 IIAARN CC[C@@](C)(C(=O)Nc1ccc(C)cc1)N(Cc1ccccc1)C(=O)CSc1nc[nH]n1 ZINC000001409776 568787488 /nfs/dbraw/zinc/78/74/88/568787488.db2.gz WZUWUQGJRHBIEY-QHCPKHFHSA-N 0 0 437.569 4.041 50 0 IIAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O)C(=O)c1ccccc1 ZINC000001159196 568788251 /nfs/dbraw/zinc/78/82/51/568788251.db2.gz ZVJIQIVSBFRXNU-JOCHJYFZSA-N 0 0 443.455 4.314 50 0 IIAARN CCOC(=O)C1CCN(Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)CC1 ZINC000015487485 568791869 /nfs/dbraw/zinc/79/18/69/568791869.db2.gz ZKJMOLMXVWFTCJ-UHFFFAOYSA-N 0 0 432.520 4.464 50 0 IIAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC2(CC1)OCCO2 ZINC000084124560 568793981 /nfs/dbraw/zinc/79/39/81/568793981.db2.gz VJICMHAIBBXKQG-UHFFFAOYSA-N 0 0 438.908 4.080 50 0 IIAARN Cc1nn2c(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)nnc2c2ccccc12 ZINC000001427764 568794174 /nfs/dbraw/zinc/79/41/74/568794174.db2.gz QQXMOPMDBOYFBF-UHFFFAOYSA-N 0 0 433.468 4.193 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2S[C@H](C)c2nc(-c3nc[nH]n3)no2)c(C)c1 ZINC000084142267 568794870 /nfs/dbraw/zinc/79/48/70/568794870.db2.gz ULQOFUKCFZVMCS-CQSZACIVSA-N 0 0 445.508 4.024 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cs2)cc1 ZINC000019203529 568795138 /nfs/dbraw/zinc/79/51/38/568795138.db2.gz RQWDXTVJCUKHLE-UHFFFAOYSA-N 0 0 431.521 4.249 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)c1 ZINC000084195125 568796013 /nfs/dbraw/zinc/79/60/13/568796013.db2.gz QRYRBQWGNMHRRV-UZLBHIALSA-N 0 0 427.419 4.109 50 0 IIAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCC[C@H](C)C1 ZINC000084234922 568796613 /nfs/dbraw/zinc/79/66/13/568796613.db2.gz KTTFRASFFDAQLE-ZBQZNYHESA-N 0 0 449.473 4.324 50 0 IIAARN CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000084284358 568796710 /nfs/dbraw/zinc/79/67/10/568796710.db2.gz AXBWDRRQMAPYSD-OAQYLSRUSA-N 0 0 432.561 4.302 50 0 IIAARN CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000084284354 568796815 /nfs/dbraw/zinc/79/68/15/568796815.db2.gz AXBWDRRQMAPYSD-NRFANRHFSA-N 0 0 432.561 4.302 50 0 IIAARN Cc1nnc(CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C(C)(C)C)o1 ZINC000084291462 568796869 /nfs/dbraw/zinc/79/68/69/568796869.db2.gz BENLNQIYEZNWSI-INIZCTEOSA-N 0 0 427.530 4.011 50 0 IIAARN O=C(Nc1ccccc1)C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015550902 568797951 /nfs/dbraw/zinc/79/79/51/568797951.db2.gz CEMXYAIGOYPWOT-UHFFFAOYSA-N 0 0 441.380 4.118 50 0 IIAARN O=C(COc1ccc2c(c1)CCC2)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000084583266 568798946 /nfs/dbraw/zinc/79/89/46/568798946.db2.gz FRNBKWHOSOZYCO-XMMPIXPASA-N 0 0 427.504 4.236 50 0 IIAARN CCC[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O)c1cccc(C(F)(F)F)c1 ZINC000084740451 568800823 /nfs/dbraw/zinc/80/08/23/568800823.db2.gz FGTGUKXQUXMTNP-QGZVFWFLSA-N 0 0 435.446 4.284 50 0 IIAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Cl)c3)n2)cc1 ZINC000015670250 568802193 /nfs/dbraw/zinc/80/21/93/568802193.db2.gz VIWBVRLSRVLKNF-GOSISDBHSA-N 0 0 446.898 4.169 50 0 IIAARN Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000015670338 568802305 /nfs/dbraw/zinc/80/23/05/568802305.db2.gz SEHKVFYQJLQRCF-FQEVSTJZSA-N 0 0 440.507 4.294 50 0 IIAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670595 568802658 /nfs/dbraw/zinc/80/26/58/568802658.db2.gz NMPVHELFFQIVDJ-LJQANCHMSA-N 0 0 444.470 4.045 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccn1 ZINC000015675573 568804243 /nfs/dbraw/zinc/80/42/43/568804243.db2.gz PVJWQUVEOLMZSJ-VWLOTQADSA-N 0 0 434.540 4.273 50 0 IIAARN CCOc1ccccc1CNC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000015677954 568805000 /nfs/dbraw/zinc/80/50/00/568805000.db2.gz WDZITMKMPCLOEI-XMMPIXPASA-N 0 0 445.519 4.044 50 0 IIAARN O=C(NCc1cccc(Cl)c1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000015678038 568805008 /nfs/dbraw/zinc/80/50/08/568805008.db2.gz VYQBAKGVALYZPM-UHFFFAOYSA-N 0 0 442.906 4.281 50 0 IIAARN COc1ccc(-c2noc(-c3cc4cc(Br)ccc4oc3=O)n2)c(OC)c1 ZINC000015678967 568805482 /nfs/dbraw/zinc/80/54/82/568805482.db2.gz QIFSHFDBTMDHID-UHFFFAOYSA-N 0 0 429.226 4.290 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3F)CC2)c(C)c1 ZINC000219164451 568811371 /nfs/dbraw/zinc/81/13/71/568811371.db2.gz FQJKXWANPCIALI-IBGZPJMESA-N 0 0 436.574 4.352 50 0 IIAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000032496105 568811374 /nfs/dbraw/zinc/81/13/74/568811374.db2.gz IHYZMAAOMBTQQY-GJZGRUSLSA-N 0 0 444.915 4.489 50 0 IIAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)N2CCCCCC2)n1 ZINC000015729693 568813624 /nfs/dbraw/zinc/81/36/24/568813624.db2.gz LVCDAIPVLMOTOX-UHFFFAOYSA-N 0 0 430.306 4.009 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)cc1 ZINC000015732612 568815630 /nfs/dbraw/zinc/81/56/30/568815630.db2.gz ULOXMVHCBBYAAB-UHFFFAOYSA-N 0 0 437.500 4.078 50 0 IIAARN COc1ccc(OC)c(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733433 568815870 /nfs/dbraw/zinc/81/58/70/568815870.db2.gz ARKIHRRCOBCPNL-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000001454979 568819147 /nfs/dbraw/zinc/81/91/47/568819147.db2.gz QFMDRBGVLRSANW-QHCPKHFHSA-N 0 0 438.491 4.180 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000001467280 568820434 /nfs/dbraw/zinc/82/04/34/568820434.db2.gz ZPTIBPFJHHJPAE-QFIPXVFZSA-N 0 0 440.565 4.362 50 0 IIAARN CSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001473121 568821728 /nfs/dbraw/zinc/82/17/28/568821728.db2.gz SWQUFCDLCFYRRA-UHFFFAOYSA-N 0 0 429.567 4.011 50 0 IIAARN CCCn1c(SCCn2c3ccccc3oc2=O)nc2sc3c(c2c1=O)CCC3 ZINC000026022603 568824157 /nfs/dbraw/zinc/82/41/57/568824157.db2.gz CZQOHHHRXTVHHV-UHFFFAOYSA-N 0 0 427.551 4.057 50 0 IIAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 ZINC000015780907 568825150 /nfs/dbraw/zinc/82/51/50/568825150.db2.gz XPKJPGNNUYIIPQ-IBGZPJMESA-N 0 0 435.954 4.355 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 ZINC000015780909 568825185 /nfs/dbraw/zinc/82/51/85/568825185.db2.gz XPKJPGNNUYIIPQ-LJQANCHMSA-N 0 0 435.954 4.355 50 0 IIAARN COc1cccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000015781024 568825602 /nfs/dbraw/zinc/82/56/02/568825602.db2.gz RKQYWTDULOMRKC-FQEVSTJZSA-N 0 0 433.526 4.149 50 0 IIAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)cc1OC ZINC000085643811 568829055 /nfs/dbraw/zinc/82/90/55/568829055.db2.gz SKQKCHYDHRZURL-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN Cc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000015785833 568832785 /nfs/dbraw/zinc/83/27/85/568832785.db2.gz ANJZAPWYVNGZNJ-UHFFFAOYSA-N 0 0 430.531 4.106 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664812 568833925 /nfs/dbraw/zinc/83/39/25/568833925.db2.gz GUEMSHLQVHOYEN-UHFFFAOYSA-N 0 0 431.461 4.381 50 0 IIAARN CCn1nc(C)c(CCNC(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)c1C ZINC000015821825 568839867 /nfs/dbraw/zinc/83/98/67/568839867.db2.gz IRJBLCNBLYDLQO-UHFFFAOYSA-N 0 0 447.564 4.354 50 0 IIAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)NCc1ccc(C)cc1 ZINC000015823876 568840264 /nfs/dbraw/zinc/84/02/64/568840264.db2.gz XKXXZSTXRQGKRX-UHFFFAOYSA-N 0 0 429.567 4.151 50 0 IIAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cc(C)ccc1C ZINC000015823974 568840442 /nfs/dbraw/zinc/84/04/42/568840442.db2.gz LISIBDCLGAEWGF-UHFFFAOYSA-N 0 0 430.555 4.177 50 0 IIAARN Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3)C3(COC3)N2Cc2ccccc2)cc1 ZINC000258833845 568843842 /nfs/dbraw/zinc/84/38/42/568843842.db2.gz MHZMZLLFIUTVCB-RUZDIDTESA-N 0 0 448.588 4.278 50 0 IIAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)c1 ZINC000015863282 568849081 /nfs/dbraw/zinc/84/90/81/568849081.db2.gz IKQNUGGJXBDZBV-UHFFFAOYSA-N 0 0 431.540 4.346 50 0 IIAARN Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863262 568849090 /nfs/dbraw/zinc/84/90/90/568849090.db2.gz JHXWLUSEOIDYFB-UHFFFAOYSA-N 0 0 431.540 4.346 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000015862866 568849108 /nfs/dbraw/zinc/84/91/08/568849108.db2.gz WGBYDFAMOXOLOQ-IBGZPJMESA-N 0 0 444.491 4.198 50 0 IIAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc12 ZINC000015865424 568850149 /nfs/dbraw/zinc/85/01/49/568850149.db2.gz NGTFFWGIHLQLNC-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN COc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000015865463 568850470 /nfs/dbraw/zinc/85/04/70/568850470.db2.gz IKBPKSMRPIFWSC-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000015865796 568850516 /nfs/dbraw/zinc/85/05/16/568850516.db2.gz VLQPOABCHFJSNC-QGZVFWFLSA-N 0 0 438.933 4.069 50 0 IIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 ZINC000015882360 568856377 /nfs/dbraw/zinc/85/63/77/568856377.db2.gz KPCKLHYKGKQCFM-UHFFFAOYSA-N 0 0 441.457 4.070 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3nc4c(ccc(Cl)c4C)s3)CC2)cc1OC ZINC000015882470 568856652 /nfs/dbraw/zinc/85/66/52/568856652.db2.gz NSRHODDRWSBHSP-UHFFFAOYSA-N 0 0 431.945 4.238 50 0 IIAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000015882743 568857319 /nfs/dbraw/zinc/85/73/19/568857319.db2.gz VQRNLVFSCNOQOZ-UHFFFAOYSA-N 0 0 441.535 4.277 50 0 IIAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2nc(C)cs2)cc1=O ZINC000015883844 568858101 /nfs/dbraw/zinc/85/81/01/568858101.db2.gz NLAKHKUHUNSIAP-UHFFFAOYSA-N 0 0 429.567 4.170 50 0 IIAARN CC(=O)c1ccc(N(C(=O)c2nc3nccc(C)n3n2)c2nc3ccccc3s2)cc1 ZINC000016006261 568862267 /nfs/dbraw/zinc/86/22/67/568862267.db2.gz RINFRHIKRQTUCY-UHFFFAOYSA-N 0 0 428.477 4.224 50 0 IIAARN O=C(c1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414570 568862284 /nfs/dbraw/zinc/86/22/84/568862284.db2.gz BRMVJVSFUVFIIB-KRWDZBQOSA-N 0 0 447.862 4.241 50 0 IIAARN O=C(c1ccccc1OC(F)(F)F)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414573 568862482 /nfs/dbraw/zinc/86/24/82/568862482.db2.gz BRMVJVSFUVFIIB-QGZVFWFLSA-N 0 0 447.862 4.241 50 0 IIAARN Cc1sc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc1-c1ccc(F)c(F)c1 ZINC000012939998 568868412 /nfs/dbraw/zinc/86/84/12/568868412.db2.gz GJLRRGMMJGEVHZ-UHFFFAOYSA-N 0 0 428.468 4.023 50 0 IIAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000016047487 568868888 /nfs/dbraw/zinc/86/88/88/568868888.db2.gz WJPPXWDWMLOYRK-UHFFFAOYSA-N 0 0 444.944 4.351 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)Cc1nn(CC(C)C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000575443301 568869057 /nfs/dbraw/zinc/86/90/57/568869057.db2.gz JEQOZEVYYYSSOP-OSPHWJPCSA-N 0 0 445.567 4.375 50 0 IIAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4c(C)cc(C)cc4C)n3n2)cc1 ZINC000016047678 568869146 /nfs/dbraw/zinc/86/91/46/568869146.db2.gz ZAOSYMSQGMOWTG-UHFFFAOYSA-N 0 0 440.594 4.212 50 0 IIAARN Fc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000012941536 568869966 /nfs/dbraw/zinc/86/99/66/568869966.db2.gz UNNHOKQYCHDAPL-UHFFFAOYSA-N 0 0 443.511 4.401 50 0 IIAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1I ZINC000012941264 568869982 /nfs/dbraw/zinc/86/99/82/568869982.db2.gz ICVRKNZXYDHHAD-SNVBAGLBSA-N 0 0 439.224 4.138 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)c(F)c1 ZINC000016110974 568870756 /nfs/dbraw/zinc/87/07/56/568870756.db2.gz PRQGVEZGRUQGKV-UHFFFAOYSA-N 0 0 449.482 4.144 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000012945303 568870885 /nfs/dbraw/zinc/87/08/85/568870885.db2.gz WJWUOXHKILJJRI-HXUWFJFHSA-N 0 0 448.585 4.213 50 0 IIAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000012946279 568871092 /nfs/dbraw/zinc/87/10/92/568871092.db2.gz WQFBKKTUEMYLBT-UHFFFAOYSA-N 0 0 427.430 4.114 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000016176166 568872175 /nfs/dbraw/zinc/87/21/75/568872175.db2.gz AIAYAICUGPVYED-JOCHJYFZSA-N 0 0 430.570 4.139 50 0 IIAARN COc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1NC(C)=O ZINC000012951334 568872235 /nfs/dbraw/zinc/87/22/35/568872235.db2.gz SUWQBPLPRLJNSV-UHFFFAOYSA-N 0 0 443.301 4.163 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CSc3nncn3-c3ccc(C(C)C)cc3)CC2)c1 ZINC000026570194 568884327 /nfs/dbraw/zinc/88/43/27/568884327.db2.gz XMBXUOCLZAVRDM-UHFFFAOYSA-N 0 0 435.597 4.140 50 0 IIAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000229613266 568886907 /nfs/dbraw/zinc/88/69/07/568886907.db2.gz VKBKUVLBIQIYOT-ZMJLSGBISA-N 0 0 426.513 4.204 50 0 IIAARN O=C(CN1CCN(C(=O)c2ccc3ccccc3c2)CC1)Nc1ccccc1C(F)(F)F ZINC000012974205 568889637 /nfs/dbraw/zinc/88/96/37/568889637.db2.gz RIKXLLFRXNVYIP-UHFFFAOYSA-N 0 0 441.453 4.255 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)c1 ZINC000012978518 568891900 /nfs/dbraw/zinc/89/19/00/568891900.db2.gz QONKDVPZABAUSN-HNNXBMFYSA-N 0 0 449.532 4.020 50 0 IIAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCc2cccnc2)CC1 ZINC000035512533 568892605 /nfs/dbraw/zinc/89/26/05/568892605.db2.gz VOUIYYIPEKYZEQ-UHFFFAOYSA-N 0 0 448.592 4.381 50 0 IIAARN COc1ccc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1OC ZINC000090642353 568893733 /nfs/dbraw/zinc/89/37/33/568893733.db2.gz ZMXHLGBPKIKDBY-UHFFFAOYSA-N 0 0 425.485 4.458 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(I)c1 ZINC000012986184 568895601 /nfs/dbraw/zinc/89/56/01/568895601.db2.gz WTSHJBFNBXPBKH-UHFFFAOYSA-N 0 0 445.304 4.083 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000016427237 568896969 /nfs/dbraw/zinc/89/69/69/568896969.db2.gz BOGVLNRLEKMNCH-UHFFFAOYSA-N 0 0 427.595 4.015 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003132 568898529 /nfs/dbraw/zinc/89/85/29/568898529.db2.gz YZUWLZZQVXTOMM-HNNXBMFYSA-N 0 0 448.426 4.135 50 0 IIAARN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccc(Cl)o1 ZINC000013000714 568898715 /nfs/dbraw/zinc/89/87/15/568898715.db2.gz HSTQFAUBWHCUOL-UHFFFAOYSA-N 0 0 427.265 4.345 50 0 IIAARN O=C1OCCN1CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000013001379 568898891 /nfs/dbraw/zinc/89/88/91/568898891.db2.gz JVJDLGDNSPUMNU-UHFFFAOYSA-N 0 0 436.320 4.237 50 0 IIAARN CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1c(F)cccc1Cl ZINC000013004163 568898979 /nfs/dbraw/zinc/89/89/79/568898979.db2.gz ZSNSNMSUPWIEPT-KRWDZBQOSA-N 0 0 443.828 4.217 50 0 IIAARN CN(C)S(=O)(=O)c1ccc2oc(SCc3ccc(OC(F)(F)F)cc3)nc2c1 ZINC000013006333 568899747 /nfs/dbraw/zinc/89/97/47/568899747.db2.gz JSSFYIGBOLYPQM-UHFFFAOYSA-N 0 0 432.445 4.269 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 ZINC000013019453 568902086 /nfs/dbraw/zinc/90/20/86/568902086.db2.gz MIFZPNUCXOTMCK-ZDUSSCGKSA-N 0 0 445.472 4.256 50 0 IIAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)C(=Cc2ccccc2)NC(C)=O)cc1 ZINC000104371361 568904443 /nfs/dbraw/zinc/90/44/43/568904443.db2.gz AUTWTZPSSUKPNT-CJLVFECKSA-N 0 0 436.508 4.109 50 0 IIAARN COc1cc(OC)cc([C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2nccn2C)c1 ZINC000016471402 568907869 /nfs/dbraw/zinc/90/78/69/568907869.db2.gz ZWGSJMFRTSNUAL-VWLOTQADSA-N 0 0 441.531 4.475 50 0 IIAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000239274906 568910959 /nfs/dbraw/zinc/91/09/59/568910959.db2.gz AWTVSNZKEXJBJA-WXFUMESZSA-N 0 0 428.488 4.445 50 0 IIAARN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000242155966 568912607 /nfs/dbraw/zinc/91/26/07/568912607.db2.gz WUTQVQAYZPSBJV-SPLOXXLWSA-N 0 0 445.922 4.234 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000245257366 568914099 /nfs/dbraw/zinc/91/40/99/568914099.db2.gz YUAAWGWGVRJPDN-IYARVYRRSA-N 0 0 433.508 4.003 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000245328697 568915237 /nfs/dbraw/zinc/91/52/37/568915237.db2.gz WODMSIIIJSMFJK-SHTZXODSSA-N 0 0 430.430 4.255 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3ccccc3Cl)[C@H]2C1=O ZINC000248259779 568919127 /nfs/dbraw/zinc/91/91/27/568919127.db2.gz VVJOFZYHVPYVJR-IVAOSVALSA-N 0 0 434.923 4.207 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)c1 ZINC000001907076 568919527 /nfs/dbraw/zinc/91/95/27/568919527.db2.gz ADMKJBTXSJPJTR-UHFFFAOYSA-N 0 0 432.505 4.186 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2C)ccc1Cl ZINC000064370058 568920053 /nfs/dbraw/zinc/92/00/53/568920053.db2.gz PYWDRAZNECYLCW-UHFFFAOYSA-N 0 0 444.973 4.367 50 0 IIAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001942336 568923633 /nfs/dbraw/zinc/92/36/33/568923633.db2.gz GIVAWIGVBCMWQX-UHFFFAOYSA-N 0 0 442.471 4.406 50 0 IIAARN O=C1CN(Cc2ccc(F)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002148909 568925172 /nfs/dbraw/zinc/92/51/72/568925172.db2.gz VCRPYPNQPXHNLP-OZXSUGGESA-N 0 0 439.490 4.192 50 0 biogenic IIAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000008789877 568927136 /nfs/dbraw/zinc/92/71/36/568927136.db2.gz XHWDMVJCCDHQOJ-GTBRBKJESA-N 0 0 435.520 4.332 50 0 IIAARN CCCC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450812 568928884 /nfs/dbraw/zinc/92/88/84/568928884.db2.gz XANKKMFSTIISKY-UHFFFAOYSA-N 0 0 444.580 4.256 50 0 IIAARN COc1cc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc(OC)c1 ZINC000064452500 568929503 /nfs/dbraw/zinc/92/95/03/568929503.db2.gz MKAXTEFCYCOPBM-SFHVURJKSA-N 0 0 448.523 4.450 50 0 IIAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000169296528 568931292 /nfs/dbraw/zinc/93/12/92/568931292.db2.gz FYHTYUXWMHZIRA-SLFFLAALSA-N 0 0 440.286 4.440 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2 ZINC000064566195 568932985 /nfs/dbraw/zinc/93/29/85/568932985.db2.gz CNAZQJADMKQAHD-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000064566137 568932993 /nfs/dbraw/zinc/93/29/93/568932993.db2.gz NEDFHUQWDIHTBY-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN CC[C@H](C(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1)c1ccccc1 ZINC000064566205 568933008 /nfs/dbraw/zinc/93/30/08/568933008.db2.gz YITLHRMRLDUVOS-FQEVSTJZSA-N 0 0 441.535 4.139 50 0 IIAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1cc3c(s1)CCCC3)C2 ZINC000064566312 568933150 /nfs/dbraw/zinc/93/31/50/568933150.db2.gz MQHYHTBREMGZJX-UHFFFAOYSA-N 0 0 445.548 4.276 50 0 IIAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)c2=O)cc1OC ZINC000054313294 568938744 /nfs/dbraw/zinc/93/87/44/568938744.db2.gz UCLFBXFGFUSTAD-KRWDZBQOSA-N 0 0 437.492 4.117 50 0 biogenic IIAARN Cc1ccc(C)c(NC(=O)[C@H](C)n2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)c1 ZINC000064605261 568939205 /nfs/dbraw/zinc/93/92/05/568939205.db2.gz XRMQEUGUFSPURA-SFHVURJKSA-N 0 0 432.524 4.321 50 0 IIAARN CNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000027024872 568939241 /nfs/dbraw/zinc/93/92/41/568939241.db2.gz VHEFPBJIBTYVMH-ULJHMMPZSA-N 0 0 436.515 4.365 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000064605305 568939443 /nfs/dbraw/zinc/93/94/43/568939443.db2.gz HBPPIVZZEQSCJP-UHFFFAOYSA-N 0 0 438.915 4.105 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000064605307 568939485 /nfs/dbraw/zinc/93/94/85/568939485.db2.gz JNDOSTXAWPGKQY-UHFFFAOYSA-N 0 0 438.915 4.105 50 0 IIAARN CC[C@H](C(=O)Nc1ccccc1)n1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605395 568939618 /nfs/dbraw/zinc/93/96/18/568939618.db2.gz KPNBYILRPKQBBN-JOCHJYFZSA-N 0 0 432.524 4.403 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000064611391 568940260 /nfs/dbraw/zinc/94/02/60/568940260.db2.gz IZVOXPAMEXVSDV-FQRUVTKNSA-N 0 0 433.596 4.038 50 0 IIAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2cc(C)c(C)cc2N1 ZINC000064661208 568942576 /nfs/dbraw/zinc/94/25/76/568942576.db2.gz YORLBBKUFUGHAL-UHFFFAOYSA-N 0 0 441.915 4.109 50 0 IIAARN COc1cccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)c1 ZINC000064664260 568943611 /nfs/dbraw/zinc/94/36/11/568943611.db2.gz JKVOCUUNOUJKGL-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)NC4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703990 568944444 /nfs/dbraw/zinc/94/44/44/568944444.db2.gz DIFYXGDEFJNPLD-UHFFFAOYSA-N 0 0 440.617 4.472 50 0 IIAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704268 568944611 /nfs/dbraw/zinc/94/46/11/568944611.db2.gz NZAUKMNVANPCFT-UHFFFAOYSA-N 0 0 432.569 4.160 50 0 IIAARN CC(C)c1ccc(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)Cc2ccccc2)cc1 ZINC000036073707 568946271 /nfs/dbraw/zinc/94/62/71/568946271.db2.gz HKAJTOWIGQDVGD-UHFFFAOYSA-N 0 0 446.595 4.388 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000036076914 568946575 /nfs/dbraw/zinc/94/65/75/568946575.db2.gz VNFVBPTUZULWBW-LIAKPAEXSA-N 0 0 434.536 4.403 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083881 568947573 /nfs/dbraw/zinc/94/75/73/568947573.db2.gz NCMOKEVHVYSYJF-NRFANRHFSA-N 0 0 444.915 4.331 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083868 568947593 /nfs/dbraw/zinc/94/75/93/568947593.db2.gz UTUSPBBAGFLZCD-NRFANRHFSA-N 0 0 430.451 4.174 50 0 IIAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)NCc1ccccc1 ZINC000064747029 568950378 /nfs/dbraw/zinc/95/03/78/568950378.db2.gz RELHXEPIJZHBKD-UHFFFAOYSA-N 0 0 440.528 4.298 50 0 IIAARN COc1ccccc1NC(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(F)cc1 ZINC000064748056 568950605 /nfs/dbraw/zinc/95/06/05/568950605.db2.gz HOTJKDLVEXQEKJ-UHFFFAOYSA-N 0 0 432.455 4.465 50 0 IIAARN CC(C)(C)n1c(=O)c2ccc(F)cc2n1CC(=O)Nc1ccc(Br)cc1F ZINC000064747949 568950654 /nfs/dbraw/zinc/95/06/54/568950654.db2.gz AFMZJQNEWIWAFN-UHFFFAOYSA-N 0 0 438.272 4.237 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(F)c4)CC3=O)c2)cc1 ZINC000064754690 568951034 /nfs/dbraw/zinc/95/10/34/568951034.db2.gz JYGBZFJCRWGBHW-GOSISDBHSA-N 0 0 431.467 4.378 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)NCc4cccc(C)c4)CC3=O)c2)cc1 ZINC000064754775 568951056 /nfs/dbraw/zinc/95/10/56/568951056.db2.gz SKPRMQOXNWNEET-QFIPXVFZSA-N 0 0 441.531 4.225 50 0 IIAARN CCN1c2ccc(CNC(=O)c3c(OC)cccc3OC)cc2Sc2ncccc2C1=O ZINC000064759624 568952029 /nfs/dbraw/zinc/95/20/29/568952029.db2.gz AOJWLAYXBRMCFJ-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN CC[C@H](C)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000006695966 568952500 /nfs/dbraw/zinc/95/25/00/568952500.db2.gz ULWJSOIHNPNIBX-INIZCTEOSA-N 0 0 430.524 4.309 50 0 IIAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1cccc(OC)c1 ZINC000036105697 568953467 /nfs/dbraw/zinc/95/34/67/568953467.db2.gz LCSHTOJOALDMLB-UHFFFAOYSA-N 0 0 442.537 4.028 50 0 IIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](/C=C/c2ccccc2)OCC3(C)C)c(=O)n(C)c1=O ZINC000064788099 568956462 /nfs/dbraw/zinc/95/64/62/568956462.db2.gz RVZHOWIKRWAPJF-APHAIJBRSA-N 0 0 441.531 4.226 50 0 IIAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccc(C)c2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788283 568956593 /nfs/dbraw/zinc/95/65/93/568956593.db2.gz FCUMNULUUNELQH-XMMPIXPASA-N 0 0 443.547 4.177 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)CC(C)C ZINC000036120284 568957122 /nfs/dbraw/zinc/95/71/22/568957122.db2.gz GLMWSMZMVKUEPD-LJQANCHMSA-N 0 0 432.561 4.287 50 0 IIAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C1CC1 ZINC000036120461 568957467 /nfs/dbraw/zinc/95/74/67/568957467.db2.gz ULIDHCCBGSBMAP-FQEVSTJZSA-N 0 0 444.572 4.429 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccco1 ZINC000036120909 568957636 /nfs/dbraw/zinc/95/76/36/568957636.db2.gz LOCPSXKNTAKDEX-IBGZPJMESA-N 0 0 442.512 4.147 50 0 IIAARN CC(C)(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C1CC1 ZINC000036121052 568957720 /nfs/dbraw/zinc/95/77/20/568957720.db2.gz DNIDGPGTKKWZTA-HXUWFJFHSA-N 0 0 444.572 4.429 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000036121198 568957803 /nfs/dbraw/zinc/95/78/03/568957803.db2.gz YCEYOSZWDVPNSP-HXUWFJFHSA-N 0 0 430.545 4.041 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036121197 568957846 /nfs/dbraw/zinc/95/78/46/568957846.db2.gz YCEYOSZWDVPNSP-FQEVSTJZSA-N 0 0 430.545 4.041 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)CC1CC1 ZINC000036120676 568957854 /nfs/dbraw/zinc/95/78/54/568957854.db2.gz IOXHTNWZESFSOA-LJQANCHMSA-N 0 0 430.545 4.041 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)CC(C)C ZINC000036121982 568958073 /nfs/dbraw/zinc/95/80/73/568958073.db2.gz CRNZPECUKQAYJA-FQEVSTJZSA-N 0 0 428.598 4.456 50 0 IIAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC(C)C ZINC000036122631 568958218 /nfs/dbraw/zinc/95/82/18/568958218.db2.gz OVWYUTUXFWLUHQ-OAQYLSRUSA-N 0 0 443.613 4.331 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121546 568958296 /nfs/dbraw/zinc/95/82/96/568958296.db2.gz PYRNQDFCTREAGL-LJQANCHMSA-N 0 0 432.561 4.429 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@H](C)CC ZINC000036122708 568958333 /nfs/dbraw/zinc/95/83/33/568958333.db2.gz SMIXXTIXGZPBRZ-NQIIRXRSSA-N 0 0 443.613 4.331 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036123663 568958671 /nfs/dbraw/zinc/95/86/71/568958671.db2.gz CNKQXCUPAAYWRG-IBGZPJMESA-N 0 0 447.576 4.222 50 0 IIAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cccc(Cl)c2)c1C ZINC000064792245 568959291 /nfs/dbraw/zinc/95/92/91/568959291.db2.gz GMZKTFKPMABUIB-UHFFFAOYSA-N 0 0 435.915 4.111 50 0 IIAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCCCC2)cc1 ZINC000064793292 568959595 /nfs/dbraw/zinc/95/95/95/568959595.db2.gz OKPLQPLVKFTDMB-XMMPIXPASA-N 0 0 442.567 4.143 50 0 IIAARN CCn1c(SCc2ccccc2C(=O)OC)nnc1-c1sc2ncccc2c1N ZINC000064794262 568959917 /nfs/dbraw/zinc/95/99/17/568959917.db2.gz FYPBVERZHNAZPK-UHFFFAOYSA-N 0 0 425.539 4.236 50 0 IIAARN COc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1OC ZINC000064798342 568960428 /nfs/dbraw/zinc/96/04/28/568960428.db2.gz OOYTZBSDKDIZHJ-INIZCTEOSA-N 0 0 443.546 4.381 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(OC)c2)cc1 ZINC000064798963 568960561 /nfs/dbraw/zinc/96/05/61/568960561.db2.gz KIRHUIBSBONMTD-QGZVFWFLSA-N 0 0 429.519 4.072 50 0 IIAARN CC(C)COC[C@@H](O)CNc1ccc(-n2nc(OC(C)C)nc2-c2cccc(F)c2)cc1 ZINC000036145551 568961761 /nfs/dbraw/zinc/96/17/61/568961761.db2.gz OMYUUKMWILOSLF-QFIPXVFZSA-N 0 0 442.535 4.306 50 0 IIAARN CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146403 568962767 /nfs/dbraw/zinc/96/27/67/568962767.db2.gz ZQMAYWBZQOTNKG-VXKWHMMOSA-N 0 0 432.511 4.136 50 0 IIAARN COCCN(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723200 568963134 /nfs/dbraw/zinc/96/31/34/568963134.db2.gz AGOAWBYCGWBCGZ-UHFFFAOYSA-N 0 0 431.602 4.478 50 0 IIAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@@H]1CCCO1)C(=O)CC(C)(C)C ZINC000006722576 568963226 /nfs/dbraw/zinc/96/32/26/568963226.db2.gz OZLLFBINOZAUCZ-NRFANRHFSA-N 0 0 429.605 4.435 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC(C)(C)C ZINC000064815963 568963855 /nfs/dbraw/zinc/96/38/55/568963855.db2.gz LVJYHGRYWVDODG-XMMPIXPASA-N 0 0 436.581 4.249 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCc3ccc(C)o3)ccc2c(=O)n1-c1ccccc1 ZINC000064819556 568966559 /nfs/dbraw/zinc/96/65/59/568966559.db2.gz KNNWIDCRHYCRLT-UHFFFAOYSA-N 0 0 430.508 4.063 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1cccc(F)c1 ZINC000036166218 568968451 /nfs/dbraw/zinc/96/84/51/568968451.db2.gz ZZWMNAZDEFJDOI-QHCPKHFHSA-N 0 0 438.480 4.016 50 0 IIAARN CCn1c(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc2c1c1ccccc1oc2=O ZINC000064839119 568969452 /nfs/dbraw/zinc/96/94/52/568969452.db2.gz BYLIPNXWSTVJIM-SFHVURJKSA-N 0 0 429.520 4.427 50 0 IIAARN CN(CCc1noc(COc2ccccc2F)n1)C(=O)Nc1ccccc1Br ZINC000064840406 568969973 /nfs/dbraw/zinc/96/99/73/568969973.db2.gz NPFLDQJKORBRSP-UHFFFAOYSA-N 0 0 449.280 4.257 50 0 IIAARN Cc1ccc(C)c(-c2csc3[nH]c(CN(C[C@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206515 568973077 /nfs/dbraw/zinc/97/30/77/568973077.db2.gz UWXCHRGKUJXNFD-SFHVURJKSA-N 0 0 443.613 4.265 50 0 IIAARN Cc1sc2nc(CN(CCC(C)C)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207050 568973190 /nfs/dbraw/zinc/97/31/90/568973190.db2.gz WIQWRRYJUUDQLX-LJQANCHMSA-N 0 0 443.613 4.198 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N[C@H]3CCCc4ccccc43)c2)on1 ZINC000064866206 568974266 /nfs/dbraw/zinc/97/42/66/568974266.db2.gz WJTSMRCSOSTSJQ-NRFANRHFSA-N 0 0 438.549 4.316 50 0 IIAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2C)CC3)cc1OC ZINC000064868381 568975477 /nfs/dbraw/zinc/97/54/77/568975477.db2.gz LVWGFIIBOWNHRQ-UHFFFAOYSA-N 0 0 444.578 4.191 50 0 IIAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ncn2)c1 ZINC000064872654 568978127 /nfs/dbraw/zinc/97/81/27/568978127.db2.gz SKDJXZNRSRAEMW-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000064888057 568979337 /nfs/dbraw/zinc/97/93/37/568979337.db2.gz UUEQHUKLPDWDRN-UHFFFAOYSA-N 0 0 429.904 4.474 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000064891297 568981368 /nfs/dbraw/zinc/98/13/68/568981368.db2.gz CSYBXRCYTMUFEM-IBGZPJMESA-N 0 0 435.484 4.215 50 0 IIAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246398 568981996 /nfs/dbraw/zinc/98/19/96/568981996.db2.gz WBONQTBJIJDFJP-UHFFFAOYSA-N 0 0 431.485 4.247 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3cccc(Cl)c3C)n2)cc1C ZINC000064891922 568982688 /nfs/dbraw/zinc/98/26/88/568982688.db2.gz LRZFPAZGJDLLLF-UHFFFAOYSA-N 0 0 438.915 4.103 50 0 IIAARN CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccco1 ZINC000036249189 568983201 /nfs/dbraw/zinc/98/32/01/568983201.db2.gz SJRKYUODDHSDNY-INIZCTEOSA-N 0 0 427.476 4.351 50 0 IIAARN CC(C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036251493 568984632 /nfs/dbraw/zinc/98/46/32/568984632.db2.gz OXYLYHYNBXJJMX-HXUWFJFHSA-N 0 0 440.415 4.082 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000064924671 568986207 /nfs/dbraw/zinc/98/62/07/568986207.db2.gz UKMSPQCMTFPCIN-UHFFFAOYSA-N 0 0 438.963 4.494 50 0 IIAARN CSc1cccc(NC(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000064928076 568986740 /nfs/dbraw/zinc/98/67/40/568986740.db2.gz WUEMJKBTMFRYDD-UHFFFAOYSA-N 0 0 441.553 4.088 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1OC ZINC000064928921 568987254 /nfs/dbraw/zinc/98/72/54/568987254.db2.gz XWDLXWGLRUIPBI-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN CN(CCCNC(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)c1ccccc1 ZINC000064929149 568987651 /nfs/dbraw/zinc/98/76/51/568987651.db2.gz IVAUVBZRRCLURS-JOCHJYFZSA-N 0 0 429.568 4.003 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c(Cl)c1 ZINC000064928421 568987662 /nfs/dbraw/zinc/98/76/62/568987662.db2.gz ZITIYVDJZXFFHU-MRXNPFEDSA-N 0 0 440.906 4.189 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064930193 568987917 /nfs/dbraw/zinc/98/79/17/568987917.db2.gz AUZPZYSDRYETIP-KRWDZBQOSA-N 0 0 442.928 4.430 50 0 IIAARN COc1cc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc(OC)c1OC ZINC000064929361 568988179 /nfs/dbraw/zinc/98/81/79/568988179.db2.gz KXXBHKFQNPXSFI-UHFFFAOYSA-N 0 0 434.496 4.166 50 0 IIAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3c(F)cccc3F)s2)cc1 ZINC000064930115 568988381 /nfs/dbraw/zinc/98/83/81/568988381.db2.gz CPHAWSVJLJFDPO-MRXNPFEDSA-N 0 0 428.464 4.354 50 0 IIAARN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000169681613 568992427 /nfs/dbraw/zinc/99/24/27/568992427.db2.gz ITRZNZBDOVUYSS-WMZOPIPTSA-N 0 0 426.529 4.220 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036311202 568997113 /nfs/dbraw/zinc/99/71/13/568997113.db2.gz DHTPZKJPARUQFM-JOCHJYFZSA-N 0 0 443.950 4.434 50 0 IIAARN O=C(Nc1ccc(F)cc1F)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036312058 568997301 /nfs/dbraw/zinc/99/73/01/568997301.db2.gz DFXAPBBYDLAZMQ-QFIPXVFZSA-N 0 0 445.485 4.059 50 0 IIAARN O=C(Nc1cccc(Cl)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036311591 568998040 /nfs/dbraw/zinc/99/80/40/568998040.db2.gz YIZVJXABPJSTHY-QFIPXVFZSA-N 0 0 425.960 4.295 50 0 IIAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)cc21 ZINC000064952279 568998064 /nfs/dbraw/zinc/99/80/64/568998064.db2.gz FGDSRESFBOISER-UHFFFAOYSA-N 0 0 434.583 4.262 50 0 IIAARN O=C(NCc1ccc(F)cc1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000064959029 568999811 /nfs/dbraw/zinc/99/98/11/568999811.db2.gz CDLDIQBMRGHJJA-UHFFFAOYSA-N 0 0 435.528 4.130 50 0 IIAARN COc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c(OC)c1 ZINC000064969133 569076100 /nfs/dbraw/zinc/07/61/00/569076100.db2.gz QHBTWBMPBQYVGV-UHFFFAOYSA-N 0 0 431.492 4.228 50 0 IIAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCC3=CCCCC3)c3ccccc32)cc1 ZINC000064971484 569076254 /nfs/dbraw/zinc/07/62/54/569076254.db2.gz NEYIAERYGGDIAM-UHFFFAOYSA-N 0 0 446.551 4.387 50 0 IIAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 ZINC000064972180 569076828 /nfs/dbraw/zinc/07/68/28/569076828.db2.gz ZWLCMNXHFFEMSB-XMMPIXPASA-N 0 0 434.561 4.366 50 0 IIAARN CCn1nc(C)c(CCNC(=O)c2ccccc2NC(=O)c2nsc3ccccc32)c1C ZINC000064972689 569077007 /nfs/dbraw/zinc/07/70/07/569077007.db2.gz IBCHYONKTAVRBQ-UHFFFAOYSA-N 0 0 447.564 4.354 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OCc1cc(=O)n2ccsc2n1 ZINC000064976768 569077281 /nfs/dbraw/zinc/07/72/81/569077281.db2.gz YSWMQVLPFIGDEK-HXUWFJFHSA-N 0 0 449.532 4.440 50 0 IIAARN O=C(c1ccccc1)N1CCc2cc(CNS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000064976940 569077399 /nfs/dbraw/zinc/07/73/99/569077399.db2.gz JNKNNJDGAJYOBN-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN COc1ccc(-n2cc(C(=O)OCc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 ZINC000064977149 569077456 /nfs/dbraw/zinc/07/74/56/569077456.db2.gz RYCDNPCIIREBBP-UHFFFAOYSA-N 0 0 429.428 4.085 50 0 IIAARN CCOc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)cc1 ZINC000064977881 569077723 /nfs/dbraw/zinc/07/77/23/569077723.db2.gz CEKAUWQQLBOIPJ-UHFFFAOYSA-N 0 0 442.450 4.132 50 0 IIAARN CC(C)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985376 569081966 /nfs/dbraw/zinc/08/19/66/569081966.db2.gz HCBBNBNWTXDAGH-QHCPKHFHSA-N 0 0 436.533 4.405 50 0 IIAARN CSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985398 569081990 /nfs/dbraw/zinc/08/19/90/569081990.db2.gz ZMUFZCMKFJNZJS-FQEVSTJZSA-N 0 0 440.546 4.004 50 0 IIAARN Cc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)c1 ZINC000064985662 569082025 /nfs/dbraw/zinc/08/20/25/569082025.db2.gz MXLGSZUWSJVXFR-OAQYLSRUSA-N 0 0 442.924 4.243 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1 ZINC000064985795 569082077 /nfs/dbraw/zinc/08/20/77/569082077.db2.gz QCQPZRHGCSGAGZ-QHCPKHFHSA-N 0 0 436.533 4.207 50 0 IIAARN COc1ccccc1Oc1cc2c(cc1S(=O)(=O)N(C)C)C(=O)Nc1ccccc1O2 ZINC000064986520 569082243 /nfs/dbraw/zinc/08/22/43/569082243.db2.gz LWVYKMTUAWCPNN-UHFFFAOYSA-N 0 0 440.477 4.096 50 0 IIAARN CC(C)n1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987284 569082476 /nfs/dbraw/zinc/08/24/76/569082476.db2.gz SPLATJDCGSZRKI-UHFFFAOYSA-N 0 0 430.574 4.182 50 0 IIAARN COc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1S(=O)(=O)N1CCCCC1 ZINC000064987834 569082704 /nfs/dbraw/zinc/08/27/04/569082704.db2.gz GZFXOAANMVZORE-UHFFFAOYSA-N 0 0 433.917 4.240 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000064988847 569082960 /nfs/dbraw/zinc/08/29/60/569082960.db2.gz QXUDLZWRTVQHGD-UHFFFAOYSA-N 0 0 436.556 4.328 50 0 IIAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3cc(Cl)ccc3C)s2)cc1 ZINC000064991340 569083586 /nfs/dbraw/zinc/08/35/86/569083586.db2.gz BTTOHBPVUOHPEJ-UHFFFAOYSA-N 0 0 431.905 4.083 50 0 IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000036353421 569083877 /nfs/dbraw/zinc/08/38/77/569083877.db2.gz XNWLYMHLAHODGL-ZEQRLZLVSA-N 0 0 443.503 4.203 50 0 IIAARN COc1ccccc1OCC(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 ZINC000036354451 569084210 /nfs/dbraw/zinc/08/42/10/569084210.db2.gz GABRWOLSSAPMGP-UHFFFAOYSA-N 0 0 442.519 4.473 50 0 IIAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3ccccc3Cl)co1)CC2 ZINC000036354653 569084223 /nfs/dbraw/zinc/08/42/23/569084223.db2.gz TUNUPFIUASICBQ-UHFFFAOYSA-N 0 0 441.911 4.448 50 0 IIAARN CC(C)CNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000006833434 569084361 /nfs/dbraw/zinc/08/43/61/569084361.db2.gz JDTKXSPSCKEDQH-BPVAQJAMSA-N 0 0 426.479 4.225 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(C(C)C)s3)c3ccccc3C(=O)N2C)cc1 ZINC000036358817 569085289 /nfs/dbraw/zinc/08/52/89/569085289.db2.gz WWRDPHVEAKKQBW-RTBURBONSA-N 0 0 436.537 4.219 50 0 IIAARN COc1cccc(NC(=O)c2ccc3c(c2)ncn(-c2ccc(OC)c(Cl)c2)c3=O)c1 ZINC000036360017 569086550 /nfs/dbraw/zinc/08/65/50/569086550.db2.gz SYLDTANECKUAME-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000065007260 569087586 /nfs/dbraw/zinc/08/75/86/569087586.db2.gz ASRVQZSGWZVPDN-UHFFFAOYSA-N 0 0 428.598 4.141 50 0 IIAARN CN(CCCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)c1ccccc1 ZINC000065023516 569089277 /nfs/dbraw/zinc/08/92/77/569089277.db2.gz QMZDHEMHRNKVCF-NRFANRHFSA-N 0 0 447.558 4.142 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000065026752 569090029 /nfs/dbraw/zinc/09/00/29/569090029.db2.gz FNDTYTHYMBYXND-UHFFFAOYSA-N 0 0 440.381 4.074 50 0 IIAARN CN1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)[C@@H](c2ccccc2)C1 ZINC000065025741 569090745 /nfs/dbraw/zinc/09/07/45/569090745.db2.gz HKCGJIZYJKRPFJ-RUZDIDTESA-N 0 0 441.579 4.263 50 0 IIAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000065031592 569091438 /nfs/dbraw/zinc/09/14/38/569091438.db2.gz LJHQIZQKNZLLCN-MRXNPFEDSA-N 0 0 427.460 4.109 50 0 IIAARN O=C(c1ccccc1)N1CCCN(c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000169749840 569091979 /nfs/dbraw/zinc/09/19/79/569091979.db2.gz JMIKUAHUHQSLRG-UHFFFAOYSA-N 0 0 425.330 4.192 50 0 IIAARN COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)c1OC ZINC000169753130 569093364 /nfs/dbraw/zinc/09/33/64/569093364.db2.gz IPVGPILYXLKGRR-UHFFFAOYSA-N 0 0 434.540 4.063 50 0 IIAARN O=C(N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169755580 569093497 /nfs/dbraw/zinc/09/34/97/569093497.db2.gz PZIWDSJRTSMMOC-SFHVURJKSA-N 0 0 443.320 4.377 50 0 IIAARN Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1 ZINC000169759056 569094060 /nfs/dbraw/zinc/09/40/60/569094060.db2.gz JEYFYDCSLNUZDF-MRXNPFEDSA-N 0 0 442.248 4.168 50 0 IIAARN Cc1ccc(N2CCN(C(=O)c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)CC2)cc1 ZINC000169759598 569094085 /nfs/dbraw/zinc/09/40/85/569094085.db2.gz FFXKXAOXGXGHFK-HSZRJFAPSA-N 0 0 436.943 4.079 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000065058932 569095630 /nfs/dbraw/zinc/09/56/30/569095630.db2.gz JZIKVFXCNKWZAL-QFIPXVFZSA-N 0 0 433.911 4.438 50 0 IIAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(S(=O)(=O)c2ccc(CC(C)C)cc2)C1 ZINC000065059343 569096096 /nfs/dbraw/zinc/09/60/96/569096096.db2.gz GZKLTNUVHZRFAM-VWLOTQADSA-N 0 0 442.625 4.301 50 0 IIAARN COc1ccc(-c2cn3ccn(-c4cc(C)c(Cl)cc4OC)c(=O)c3n2)cc1OC ZINC000065060490 569096266 /nfs/dbraw/zinc/09/62/66/569096266.db2.gz QAIQDDQOADXVQC-UHFFFAOYSA-N 0 0 425.872 4.140 50 0 IIAARN COc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c(OC)c1 ZINC000065061107 569096318 /nfs/dbraw/zinc/09/63/18/569096318.db2.gz UVJDZBQWQNTFCP-UHFFFAOYSA-N 0 0 433.483 4.407 50 0 IIAARN Cc1ccccc1CNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062336 569097418 /nfs/dbraw/zinc/09/74/18/569097418.db2.gz BAAQYZVMTCVPKO-HNNXBMFYSA-N 0 0 441.018 4.063 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)c(C)c1 ZINC000065063502 569097557 /nfs/dbraw/zinc/09/75/57/569097557.db2.gz OSEDJBBIKGTSEE-UHFFFAOYSA-N 0 0 437.521 4.184 50 0 IIAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)n2)cc1F ZINC000169769944 569098142 /nfs/dbraw/zinc/09/81/42/569098142.db2.gz BGYURKZKMIDCRN-QGZVFWFLSA-N 0 0 427.823 4.068 50 0 IIAARN CC(C)c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077437 569100352 /nfs/dbraw/zinc/10/03/52/569100352.db2.gz DBRXLOANNLMCHN-OAHLLOKOSA-N 0 0 446.594 4.435 50 0 IIAARN CCCN(C(=O)Cn1c(=O)cnc2ccccc21)[C@H](C)c1ccccc1Br ZINC000036398558 569101501 /nfs/dbraw/zinc/10/15/01/569101501.db2.gz CWCCDJFIAYEXNS-OAHLLOKOSA-N 0 0 428.330 4.159 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 ZINC000169775365 569101848 /nfs/dbraw/zinc/10/18/48/569101848.db2.gz URICFKMWTATQAC-SFHVURJKSA-N 0 0 434.240 4.448 50 0 IIAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCCCc1ccccc1)CO2)c1ccccc1F ZINC000065081971 569102065 /nfs/dbraw/zinc/10/20/65/569102065.db2.gz AAQLDKHFAWIRCU-FQEVSTJZSA-N 0 0 432.495 4.378 50 0 IIAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2)c1ccc(F)cc1 ZINC000065081884 569102109 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IIAARN CCc1nc(-c2cccc(-c3noc(CNS(=O)(=O)c4ccc(F)cc4)n3)c2)cs1 ZINC000065098185 569104646 /nfs/dbraw/zinc/10/46/46/569104646.db2.gz VDGUYZHFXMNLJH-UHFFFAOYSA-N 0 0 444.513 4.040 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2nc(-c3ccc(C)cc3)no2)n1C ZINC000065099931 569104833 /nfs/dbraw/zinc/10/48/33/569104833.db2.gz KMHNSPITVUSQPZ-UHFFFAOYSA-N 0 0 448.552 4.442 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)CC2)cc1 ZINC000065111513 569105930 /nfs/dbraw/zinc/10/59/30/569105930.db2.gz UVYCIDZYPVAXFV-LFYBBSHMSA-N 0 0 446.507 4.123 50 0 IIAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000065114707 569106560 /nfs/dbraw/zinc/10/65/60/569106560.db2.gz MBTHQIIUIAONLN-UHFFFAOYSA-N 0 0 448.500 4.254 50 0 IIAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000065116227 569107133 /nfs/dbraw/zinc/10/71/33/569107133.db2.gz YNFYYFXRJHHVLY-UHFFFAOYSA-N 0 0 443.525 4.005 50 0 IIAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000065116384 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569149589 /nfs/dbraw/zinc/14/95/89/569149589.db2.gz ABXJXJLBQRRSIC-UHFFFAOYSA-N 0 0 447.354 4.090 50 0 IIAARN CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009882839 569149826 /nfs/dbraw/zinc/14/98/26/569149826.db2.gz WZWUTDZEHJFZSW-UHFFFAOYSA-N 0 0 435.553 4.170 50 0 IIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000009883765 569150134 /nfs/dbraw/zinc/15/01/34/569150134.db2.gz WEHGKPHUEXHGGM-INIZCTEOSA-N 0 0 426.900 4.369 50 0 IIAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N(C1=CCCCC1)C1CC1 ZINC000009884290 569150353 /nfs/dbraw/zinc/15/03/53/569150353.db2.gz GRTKCMRHXHOVDW-MHZLTWQESA-N 0 0 443.547 4.125 50 0 IIAARN CCOc1cc2c(cc1CNC(=O)CSc1ncnc3sc(C)c(C)c31)O[C@@H](C)C2 ZINC000009910505 569150457 /nfs/dbraw/zinc/15/04/57/569150457.db2.gz HTRIVBAVHFIJEL-LBPRGKRZSA-N 0 0 443.594 4.439 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)ccc2s1 ZINC000010220668 569152952 /nfs/dbraw/zinc/15/29/52/569152952.db2.gz OBXMSTYZARRHMI-UHFFFAOYSA-N 0 0 441.534 4.271 50 0 IIAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1 ZINC000010217133 569153236 /nfs/dbraw/zinc/15/32/36/569153236.db2.gz WLDMHBCNJJOYIQ-XMMPIXPASA-N 0 0 442.471 4.382 50 0 IIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000010218771 569153600 /nfs/dbraw/zinc/15/36/00/569153600.db2.gz VLURARUAXLQPET-UHFFFAOYSA-N 0 0 438.958 4.459 50 0 IIAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1cccc2ccccc21 ZINC000010255553 569154127 /nfs/dbraw/zinc/15/41/27/569154127.db2.gz QJXXDFHTYBLBNH-SFHVURJKSA-N 0 0 449.576 4.185 50 0 IIAARN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000071821258 569154677 /nfs/dbraw/zinc/15/46/77/569154677.db2.gz DRKAKMJVLQGWLH-UHFFFAOYSA-N 0 0 438.531 4.059 50 0 IIAARN O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000071819893 569154686 /nfs/dbraw/zinc/15/46/86/569154686.db2.gz LVDLIFNPHDMFRB-QGZVFWFLSA-N 0 0 443.532 4.244 50 0 IIAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1 ZINC000013961696 569157399 /nfs/dbraw/zinc/15/73/99/569157399.db2.gz SIOSDCADWBQQPQ-UHFFFAOYSA-N 0 0 448.523 4.020 50 0 IIAARN COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000089643249 569160379 /nfs/dbraw/zinc/16/03/79/569160379.db2.gz JBHWOMNMVVEMLX-UHFFFAOYSA-N 0 0 425.506 4.356 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000089646993 569160549 /nfs/dbraw/zinc/16/05/49/569160549.db2.gz IVXVSVOTVBXICZ-UHFFFAOYSA-N 0 0 444.578 4.124 50 0 IIAARN COc1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662034 569160826 /nfs/dbraw/zinc/16/08/26/569160826.db2.gz RTPFTTKFXSIMNB-WOJBJXKFSA-N 0 0 442.560 4.499 50 0 IIAARN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Cn3ccccc3=O)o2)c1 ZINC000089669173 569161080 /nfs/dbraw/zinc/16/10/80/569161080.db2.gz FHLFQMYVETVAIT-DEOSSOPVSA-N 0 0 442.515 4.174 50 0 IIAARN Cc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c2cnn(C(C)C)c2n1 ZINC000089696876 569161380 /nfs/dbraw/zinc/16/13/80/569161380.db2.gz MYWLWAKPJIVMPG-UHFFFAOYSA-N 0 0 438.495 4.420 50 0 IIAARN O=c1c(C(F)(F)F)cc(C2CC2)nn1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000089768437 569162573 /nfs/dbraw/zinc/16/25/73/569162573.db2.gz AEKGZSYTQLTHHJ-SANMLTNESA-N 0 0 425.259 4.254 50 0 IIAARN O=C(CSCc1cc(-c2cccs2)on1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000089774621 569162593 /nfs/dbraw/zinc/16/25/93/569162593.db2.gz UXGFJQMPHSRCKC-OAQYLSRUSA-N 0 0 448.997 4.496 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000016840003 569163094 /nfs/dbraw/zinc/16/30/94/569163094.db2.gz IUQBSVHMCQKFFZ-UHFFFAOYSA-N 0 0 432.455 4.268 50 0 IIAARN COc1cccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccn3)no2)c1 ZINC000016843017 569163550 /nfs/dbraw/zinc/16/35/50/569163550.db2.gz HGEQMPFDNYTOEH-UHFFFAOYSA-N 0 0 449.517 4.193 50 0 IIAARN O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n2nc(-c3cccs3)cc12 ZINC000016844057 569163782 /nfs/dbraw/zinc/16/37/82/569163782.db2.gz KRLCKCIIELQIMT-UHFFFAOYSA-N 0 0 442.913 4.142 50 0 IIAARN COc1cc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(F)c2)cc(OC)c1OC ZINC000016943718 569166976 /nfs/dbraw/zinc/16/69/76/569166976.db2.gz XVPQZPNBWPELGC-OAQYLSRUSA-N 0 0 441.528 4.455 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(-c2ccccc2)cc1 ZINC000089904924 569167231 /nfs/dbraw/zinc/16/72/31/569167231.db2.gz UHALHXDBBUBLKL-KRWDZBQOSA-N 0 0 429.549 4.295 50 0 IIAARN CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)c1 ZINC000089919940 569167699 /nfs/dbraw/zinc/16/76/99/569167699.db2.gz KZPWZFUGHKUKCB-BLVKFPJESA-N 0 0 435.293 4.149 50 0 IIAARN CCCc1ccc([C@H](NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1 ZINC000089960453 569168935 /nfs/dbraw/zinc/16/89/35/569168935.db2.gz GRZITYBQZWAXEH-OFVILXPXSA-N 0 0 447.560 4.275 50 0 IIAARN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000089984910 569169962 /nfs/dbraw/zinc/16/99/62/569169962.db2.gz GEKUQUDXBQKMAZ-SFHVURJKSA-N 0 0 440.912 4.140 50 0 IIAARN CCOc1ccc(CN(C)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000089991117 569170126 /nfs/dbraw/zinc/17/01/26/569170126.db2.gz CMGAUZUELPHAQW-MHZLTWQESA-N 0 0 443.547 4.165 50 0 IIAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4F)ncn3)C[C@@H]2C)c1 ZINC000037356025 569171283 /nfs/dbraw/zinc/17/12/83/569171283.db2.gz DJGYYMVQGHGNIA-KRWDZBQOSA-N 0 0 436.487 4.076 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356636 569172256 /nfs/dbraw/zinc/17/22/56/569172256.db2.gz AXMHEAJJGUEMCT-OAHLLOKOSA-N 0 0 426.879 4.412 50 0 IIAARN CC(C)(C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017096383 569173189 /nfs/dbraw/zinc/17/31/89/569173189.db2.gz PUDSBDXRLJXSKT-UHFFFAOYSA-N 0 0 429.369 4.099 50 0 IIAARN COc1ccc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)cc1 ZINC000000790582 569176123 /nfs/dbraw/zinc/17/61/23/569176123.db2.gz XFWASSYKMNVPLG-UHFFFAOYSA-N 0 0 431.444 4.289 50 0 IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCc1ccccn1)nc2-c1ccccc1F ZINC000037358828 569176745 /nfs/dbraw/zinc/17/67/45/569176745.db2.gz YRRTULQENBSSHI-UHFFFAOYSA-N 0 0 443.461 4.393 50 0 IIAARN Cc1c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002092264 569178842 /nfs/dbraw/zinc/17/88/42/569178842.db2.gz KDUGHYRHQKJOGP-IBGZPJMESA-N 0 0 429.513 4.435 50 0 biogenic IIAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000002093811 569179061 /nfs/dbraw/zinc/17/90/61/569179061.db2.gz RJFDXCUONBRXBN-ZDUSSCGKSA-N 0 0 429.856 4.229 50 0 biogenic IIAARN C[C@@H](C(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1)n1cccn1 ZINC000027126649 569179107 /nfs/dbraw/zinc/17/91/07/569179107.db2.gz CNJALAINHNGWMU-AWEZNQCLSA-N 0 0 427.302 4.027 50 0 IIAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(F)c(F)c1)CCCC3 ZINC000002522918 569180901 /nfs/dbraw/zinc/18/09/01/569180901.db2.gz PHEGRHAATVDUHL-UHFFFAOYSA-N 0 0 435.521 4.366 50 0 IIAARN COc1ccc(-n2nc3nc(NCc4cccnc4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359737 569181454 /nfs/dbraw/zinc/18/14/54/569181454.db2.gz TXDREWBKMAGAFU-UHFFFAOYSA-N 0 0 441.470 4.220 50 0 IIAARN COc1ccc(OC)c(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4[nH]c32)c1 ZINC000002123780 569183651 /nfs/dbraw/zinc/18/36/51/569183651.db2.gz LXPZYCOJCIHBGX-INIZCTEOSA-N 0 0 431.492 4.309 50 0 biogenic IIAARN O=C(CCSCc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000027194311 569184644 /nfs/dbraw/zinc/18/46/44/569184644.db2.gz IXQPCBVGBNCHDO-UHFFFAOYSA-N 0 0 428.901 4.427 50 0 IIAARN COc1cccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000001187896 569185528 /nfs/dbraw/zinc/18/55/28/569185528.db2.gz LARWFTASYLCLDB-INIZCTEOSA-N 0 0 446.787 4.037 50 0 IIAARN COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252478368 569186199 /nfs/dbraw/zinc/18/61/99/569186199.db2.gz AKKWZHTWSANSGX-JOCHJYFZSA-N 0 0 449.532 4.058 50 0 IIAARN COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252478369 569186223 /nfs/dbraw/zinc/18/62/23/569186223.db2.gz AKKWZHTWSANSGX-QFIPXVFZSA-N 0 0 449.532 4.058 50 0 IIAARN COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)NC(C)(C)C)cc1 ZINC000002157683 569187696 /nfs/dbraw/zinc/18/76/96/569187696.db2.gz ABGFNNDIHGRGHU-AQTBWJFISA-N 0 0 431.330 4.143 50 0 IIAARN COC[C@](C)(CNC(=O)C[C@@H](C)c1ccccc1F)NC(=O)C[C@H](C)c1ccccc1F ZINC000252505828 569188190 /nfs/dbraw/zinc/18/81/90/569188190.db2.gz NPKHTTRFSNVMFT-UZEJHQAJSA-N 0 0 446.538 4.290 50 0 IIAARN O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1 ZINC000038226036 569191648 /nfs/dbraw/zinc/19/16/48/569191648.db2.gz YCRFPWKUUNKNDN-UHFFFAOYSA-N 0 0 431.924 4.032 50 0 in-vitro IIAARN O=S(=O)(NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000037382056 569191840 /nfs/dbraw/zinc/19/18/40/569191840.db2.gz ZUOJKYFSZCWWRW-UHFFFAOYSA-N 0 0 438.940 4.341 50 0 IIAARN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385148 569192358 /nfs/dbraw/zinc/19/23/58/569192358.db2.gz MCLZFUAWAVYOEM-UHFFFAOYSA-N 0 0 436.443 4.334 50 0 IIAARN COCCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385390 569192389 /nfs/dbraw/zinc/19/23/89/569192389.db2.gz UPGVPXLZHYUZNO-UHFFFAOYSA-N 0 0 438.484 4.412 50 0 IIAARN COc1ccc(Cc2nnc(NC(=O)c3cccc(Br)c3)s2)cc1OC ZINC000002209035 569194077 /nfs/dbraw/zinc/19/40/77/569194077.db2.gz SOZAHXJDOOJEBU-UHFFFAOYSA-N 0 0 434.315 4.161 50 0 IIAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1ccccc1F ZINC000037399090 569194299 /nfs/dbraw/zinc/19/42/99/569194299.db2.gz NNDRYYQVROWSBG-UHFFFAOYSA-N 0 0 436.506 4.179 50 0 IIAARN Cc1ccc(C)c(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)N(C)C)CC2)c1 ZINC000037399349 569194419 /nfs/dbraw/zinc/19/44/19/569194419.db2.gz PEOWCALFJOUNDW-UHFFFAOYSA-N 0 0 443.595 4.463 50 0 IIAARN Cc1cccc(NC(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3cccc(C)c3)c2=O)c1 ZINC000037399500 569194530 /nfs/dbraw/zinc/19/45/30/569194530.db2.gz YJKKUFZERJWDPU-UHFFFAOYSA-N 0 0 433.895 4.061 50 0 IIAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000037401180 569195157 /nfs/dbraw/zinc/19/51/57/569195157.db2.gz CMQOUZGLSTXPPI-QGZVFWFLSA-N 0 0 434.558 4.181 50 0 IIAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1)c1ccccc1 ZINC000170677555 569195384 /nfs/dbraw/zinc/19/53/84/569195384.db2.gz LVQPZRDWBBYOAB-GOSISDBHSA-N 0 0 433.474 4.202 50 0 IIAARN CO[C@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000170682963 569195471 /nfs/dbraw/zinc/19/54/71/569195471.db2.gz BUYUAIDNIVJKQS-QFBILLFUSA-N 0 0 431.323 4.310 50 0 IIAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000037424004 569195571 /nfs/dbraw/zinc/19/55/71/569195571.db2.gz GTUMNNORUFPNTM-UHFFFAOYSA-N 0 0 425.915 4.176 50 0 IIAARN CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2F)n1 ZINC000037426503 569195664 /nfs/dbraw/zinc/19/56/64/569195664.db2.gz BIWCFCOHVFSAIM-IBGZPJMESA-N 0 0 440.544 4.139 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)NC(C)(C)C)C2)cc1OC ZINC000037441777 569196961 /nfs/dbraw/zinc/19/69/61/569196961.db2.gz KGCMJKLADFSHTP-IBGZPJMESA-N 0 0 443.519 4.346 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CCOCC1 ZINC000037546752 569200266 /nfs/dbraw/zinc/20/02/66/569200266.db2.gz KFJNUSGIOIFSPN-UHFFFAOYSA-N 0 0 445.441 4.182 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037556303 569200585 /nfs/dbraw/zinc/20/05/85/569200585.db2.gz CYIQGCMQBIRCAZ-NTCAYCPXSA-N 0 0 446.522 4.377 50 0 IIAARN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000037556930 569200716 /nfs/dbraw/zinc/20/07/16/569200716.db2.gz AKUVDUOQROFPRR-UHFFFAOYSA-N 0 0 446.522 4.382 50 0 IIAARN CCC(=O)N1CCc2ccc(OCC(=O)NCc3ccco3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602812 569202564 /nfs/dbraw/zinc/20/25/64/569202564.db2.gz WGAPZAJKJIASMB-AREMUKBSSA-N 0 0 432.520 4.167 50 0 IIAARN COc1ccc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@H]32)cc1OC ZINC000066091482 569205748 /nfs/dbraw/zinc/20/57/48/569205748.db2.gz AIIREGOPUPQXRK-SFTDATJTSA-N 0 0 445.523 4.429 50 0 IIAARN COC(=O)c1ccc(Cl)c(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c1 ZINC000252668754 569209822 /nfs/dbraw/zinc/20/98/22/569209822.db2.gz FLYMZGBRJKTADB-UHFFFAOYSA-N 0 0 436.876 4.157 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N ZINC000002233052 569210776 /nfs/dbraw/zinc/21/07/76/569210776.db2.gz WVFZREUMIHFDGI-UHFFFAOYSA-N 0 0 431.949 4.139 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCN5CCOCC5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252695303 569211087 /nfs/dbraw/zinc/21/10/87/569211087.db2.gz YABJRYQKQLPLQE-RUNZLFIYSA-N 0 0 429.601 4.152 50 0 biogenic IIAARN CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000001993603 569211233 /nfs/dbraw/zinc/21/12/33/569211233.db2.gz CWIRMWQVUNTUQY-VAWYXSNFSA-N 0 0 427.497 4.032 50 0 IIAARN CC(C)OC(=O)COc1ccc2c(c1)O[C@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001080910 569212362 /nfs/dbraw/zinc/21/23/62/569212362.db2.gz LLCNPMHOLRSWJH-NBGIEHNGSA-N 0 0 438.524 4.109 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000002246163 569214354 /nfs/dbraw/zinc/21/43/54/569214354.db2.gz ANMMDUXIDSVMHZ-UHFFFAOYSA-N 0 0 437.308 4.296 50 0 IIAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Br)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002252860 569215061 /nfs/dbraw/zinc/21/50/61/569215061.db2.gz SRTIKDIIJOHJTE-MLGOLLRUSA-N 0 0 437.359 4.297 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(OC)c3)N2C1=O ZINC000002255834 569216825 /nfs/dbraw/zinc/21/68/25/569216825.db2.gz AZWBDFASPOKRCN-CTNGQTDRSA-N 0 0 436.533 4.477 50 0 IIAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000043732585 569257885 /nfs/dbraw/zinc/25/78/85/569257885.db2.gz JSHDBMIVKDWATG-JLGINSKQSA-N 0 0 435.886 4.250 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc2c(c(OC)ccc2OC)n1C ZINC000253402635 569264963 /nfs/dbraw/zinc/26/49/63/569264963.db2.gz GNQLZAHGMJHEOS-LJQANCHMSA-N 0 0 433.508 4.493 50 0 biogenic IIAARN COc1cc(-c2nc3ccccc3c(=O)n2NC/C=C/c2ccccc2)cc(OC)c1OC ZINC000027531458 569266082 /nfs/dbraw/zinc/26/60/82/569266082.db2.gz AZINBENKGXPPDB-FMIVXFBMSA-N 0 0 443.503 4.346 50 0 IIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1OC ZINC000002304985 569271654 /nfs/dbraw/zinc/27/16/54/569271654.db2.gz QFOMEXWLYPHVPK-AQTBWJFISA-N 0 0 427.551 4.005 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccccc1OC)C(F)(F)F ZINC000002306090 569271706 /nfs/dbraw/zinc/27/17/06/569271706.db2.gz GBJFPNHQWALXFX-GOSISDBHSA-N 0 0 430.810 4.012 50 0 IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 ZINC000002334192 569274166 /nfs/dbraw/zinc/27/41/66/569274166.db2.gz YQAOVUCMKYOSJX-JOCHJYFZSA-N 0 0 444.578 4.344 50 0 IIAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)S2)cc1C ZINC000002339310 569275049 /nfs/dbraw/zinc/27/50/49/569275049.db2.gz OJCSIXUXNAPGTH-IBGZPJMESA-N 0 0 439.537 4.307 50 0 IIAARN Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(Br)cc1 ZINC000002351677 569282841 /nfs/dbraw/zinc/28/28/41/569282841.db2.gz WGTBQSYXDKHXKX-UHFFFAOYSA-N 0 0 441.066 4.061 50 0 IIAARN COc1cn(CC(=O)NCC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c(C)cc1=O ZINC000253412610 569289117 /nfs/dbraw/zinc/28/91/17/569289117.db2.gz RNAZEEXMGAFULA-OAQYLSRUSA-N 0 0 442.918 4.296 50 0 IIAARN Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1F ZINC000002374126 569289285 /nfs/dbraw/zinc/28/92/85/569289285.db2.gz XQZHMFSIWYLSLF-UHFFFAOYSA-N 0 0 449.511 4.108 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000002382387 569293495 /nfs/dbraw/zinc/29/34/95/569293495.db2.gz QTPWGIYIFLVNFB-UHFFFAOYSA-N 0 0 438.340 4.095 50 0 IIAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002388302 569295825 /nfs/dbraw/zinc/29/58/25/569295825.db2.gz HIOXFOMHKPLWDG-GFCCVEGCSA-N 0 0 438.329 4.447 50 0 IIAARN Cc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027756370 569296765 /nfs/dbraw/zinc/29/67/65/569296765.db2.gz GRQOAPQIAMIRMR-XMMPIXPASA-N 0 0 433.573 4.343 50 0 IIAARN Cc1ccc(NC(=O)[C@@H](C)n2cnc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)cc1 ZINC000002397468 569298539 /nfs/dbraw/zinc/29/85/39/569298539.db2.gz DNNDZNMLZJPYSD-CQSZACIVSA-N 0 0 448.548 4.366 50 0 IIAARN COc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1OC ZINC000002405287 569300110 /nfs/dbraw/zinc/30/01/10/569300110.db2.gz KQQZGCUZXMLWNW-UHFFFAOYSA-N 0 0 441.278 4.454 50 0 IIAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)c1OC ZINC000002409014 569300515 /nfs/dbraw/zinc/30/05/15/569300515.db2.gz GTRJCBQQYSMDKL-GOSISDBHSA-N 0 0 449.488 4.028 50 0 IIAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1OC ZINC000002413663 569301196 /nfs/dbraw/zinc/30/11/96/569301196.db2.gz OTNBLQUSALZLIC-SFHVURJKSA-N 0 0 434.473 4.325 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002414976 569301397 /nfs/dbraw/zinc/30/13/97/569301397.db2.gz OUKFKRBRVGFFMS-SFHVURJKSA-N 0 0 432.457 4.094 50 0 IIAARN Nc1c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 ZINC000002416632 569301515 /nfs/dbraw/zinc/30/15/15/569301515.db2.gz ZBMLRWINDRHECM-CYBMUJFWSA-N 0 0 440.862 4.284 50 0 IIAARN COc1cc(Cl)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC ZINC000011065805 569301837 /nfs/dbraw/zinc/30/18/37/569301837.db2.gz TUSWSENFNGDMIU-CMDGGOBGSA-N 0 0 428.916 4.248 50 0 IIAARN Cc1ccc(C)c(CS(=O)(=O)c2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 ZINC000002428765 569302884 /nfs/dbraw/zinc/30/28/84/569302884.db2.gz BMMHHAKDADWXEZ-KRWDZBQOSA-N 0 0 437.562 4.272 50 0 IIAARN Cc1nc2sccn2c1-c1nc(C2CC2)c(C(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000037868156 569305075 /nfs/dbraw/zinc/30/50/75/569305075.db2.gz UDMNKAZYPRZSMH-UHFFFAOYSA-N 0 0 436.518 4.267 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1OC ZINC000013009823 569306612 /nfs/dbraw/zinc/30/66/12/569306612.db2.gz NCXQONZLFJKANE-UHFFFAOYSA-N 0 0 444.495 4.292 50 0 IIAARN Cc1c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cnn1-c1ccccc1C(F)(F)F ZINC000013015105 569307008 /nfs/dbraw/zinc/30/70/08/569307008.db2.gz UBTACAYNJGNPCJ-UHFFFAOYSA-N 0 0 444.457 4.493 50 0 IIAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000013016159 569307133 /nfs/dbraw/zinc/30/71/33/569307133.db2.gz OGFHWPAUFCFTHY-UHFFFAOYSA-N 0 0 429.856 4.357 50 0 IIAARN CC(C)CCn1cnc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2Cc1ccccc1 ZINC000013038368 569307697 /nfs/dbraw/zinc/30/76/97/569307697.db2.gz HZADQTVUKUTJOZ-UHFFFAOYSA-N 0 0 436.943 4.156 50 0 IIAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N2CCC(C)CC2)cc1 ZINC000013042251 569308310 /nfs/dbraw/zinc/30/83/10/569308310.db2.gz FBIWKTWUTQNTAI-UHFFFAOYSA-N 0 0 440.565 4.141 50 0 IIAARN CC[C@H](NC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C)c1ccc(Br)cc1 ZINC000013074488 569309254 /nfs/dbraw/zinc/30/92/54/569309254.db2.gz MDPKFDXNNBQSMS-AZUAARDMSA-N 0 0 447.373 4.480 50 0 IIAARN CNC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC000013075605 569309257 /nfs/dbraw/zinc/30/92/57/569309257.db2.gz AZYZXWDHKXEBNK-UHFFFAOYSA-N 0 0 439.581 4.182 50 0 IIAARN CCCn1c2ccccc2nc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000013095846 569309479 /nfs/dbraw/zinc/30/94/79/569309479.db2.gz UQUMJBNIAAIIQR-UHFFFAOYSA-N 0 0 438.487 4.495 50 0 IIAARN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2n1 ZINC000013097457 569309818 /nfs/dbraw/zinc/30/98/18/569309818.db2.gz WOIVQJFJXYJKAC-LLVKDONJSA-N 0 0 446.508 4.262 50 0 IIAARN COCCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Cl)cc1 ZINC000013114234 569310663 /nfs/dbraw/zinc/31/06/63/569310663.db2.gz WZURLKAEXBGENY-UHFFFAOYSA-N 0 0 444.988 4.304 50 0 IIAARN Cc1cc(OCC(=O)OCC(=O)N[C@@H](C)c2ccccc2Br)ccc1Cl ZINC000013125898 569311124 /nfs/dbraw/zinc/31/11/24/569311124.db2.gz QQDVWNXKYANDSW-ZDUSSCGKSA-N 0 0 440.721 4.210 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000013141260 569311754 /nfs/dbraw/zinc/31/17/54/569311754.db2.gz KEEPZBRLEPVOSR-UHFFFAOYSA-N 0 0 431.341 4.041 50 0 IIAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000013352188 569313368 /nfs/dbraw/zinc/31/33/68/569313368.db2.gz LNPNZXPRKJJRPS-UHFFFAOYSA-N 0 0 427.589 4.220 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)o1 ZINC000013355289 569313503 /nfs/dbraw/zinc/31/35/03/569313503.db2.gz JGNWFFZKDZYMDU-UHFFFAOYSA-N 0 0 438.549 4.360 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355228 569313562 /nfs/dbraw/zinc/31/35/62/569313562.db2.gz WHGIDWMVJJFTKZ-UHFFFAOYSA-N 0 0 434.561 4.111 50 0 IIAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4F)c3)cc2=O)s1 ZINC000013368547 569314570 /nfs/dbraw/zinc/31/45/70/569314570.db2.gz RIWJBRCXMSKXRD-UHFFFAOYSA-N 0 0 438.484 4.074 50 0 IIAARN Cc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 ZINC000013368189 569314583 /nfs/dbraw/zinc/31/45/83/569314583.db2.gz OEXOINWBUSVFBW-UHFFFAOYSA-N 0 0 448.548 4.489 50 0 IIAARN CCCc1nn2c(nc(COc3ccc(NC(=O)c4cccc(F)c4)cc3)cc2=O)s1 ZINC000013368620 569314748 /nfs/dbraw/zinc/31/47/48/569314748.db2.gz TUVFFWDHSZGHNI-UHFFFAOYSA-N 0 0 438.484 4.074 50 0 IIAARN COCc1c(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)sc2cccc(F)c21 ZINC000328589596 569316719 /nfs/dbraw/zinc/31/67/19/569316719.db2.gz SZNFEJSREOOSEW-QGZVFWFLSA-N 0 0 440.540 4.150 50 0 IIAARN CC[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)c1ccccc1 ZINC000328590623 569316941 /nfs/dbraw/zinc/31/69/41/569316941.db2.gz UXXCHQCFFVYXRE-ICSRJNTNSA-N 0 0 426.561 4.124 50 0 IIAARN CC1(C)C[C@H](OC(=O)C2CCN(c3cnccn3)CC2)c2cc(Br)ccc2O1 ZINC000328594586 569317654 /nfs/dbraw/zinc/31/76/54/569317654.db2.gz WBUGHRJHUXAKBF-SFHVURJKSA-N 0 0 446.345 4.301 50 0 IIAARN CCOc1ccccc1-c1nc(CC(=O)Nc2n[nH]c(CC)c2Br)cs1 ZINC000078994969 569321588 /nfs/dbraw/zinc/32/15/88/569321588.db2.gz LWOCGFBXOVWUDK-UHFFFAOYSA-N 0 0 435.347 4.438 50 0 IIAARN Cc1cc(NC(=O)CSCC(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)no1 ZINC000079016132 569322091 /nfs/dbraw/zinc/32/20/91/569322091.db2.gz MCKGHQHSPQCMIP-UHFFFAOYSA-N 0 0 438.481 4.004 50 0 IIAARN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000079026379 569322999 /nfs/dbraw/zinc/32/29/99/569322999.db2.gz AGXVEWUPWOXAJL-CWTRNNRKSA-N 0 0 430.936 4.466 50 0 IIAARN CC(C)(C)c1nc(CN2CCCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)no1 ZINC000079048115 569323175 /nfs/dbraw/zinc/32/31/75/569323175.db2.gz KLSMDPGFSQFLCH-UHFFFAOYSA-N 0 0 443.555 4.085 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC000079049167 569323269 /nfs/dbraw/zinc/32/32/69/569323269.db2.gz CSRSDTGQMGDIDC-QHCPKHFHSA-N 0 0 433.943 4.287 50 0 IIAARN Cc1cc([C@H](C)NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)c(C)s1 ZINC000079069448 569324455 /nfs/dbraw/zinc/32/44/55/569324455.db2.gz WOIHEYZTSHIKHM-AAEUAGOBSA-N 0 0 444.416 4.415 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(CSc3nc(C)cc(C)n3)o1)CC2 ZINC000079479562 569330867 /nfs/dbraw/zinc/33/08/67/569330867.db2.gz ULGLTKAUPITCKW-UHFFFAOYSA-N 0 0 439.537 4.194 50 0 IIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)c1 ZINC000020016696 569332496 /nfs/dbraw/zinc/33/24/96/569332496.db2.gz OOKTYAKWXMASFD-UHFFFAOYSA-N 0 0 427.551 4.001 50 0 IIAARN CCOc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104868 569334271 /nfs/dbraw/zinc/33/42/71/569334271.db2.gz OVTALABPVJCAMZ-LOSJGSFVSA-N 0 0 426.516 4.239 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114135 569334794 /nfs/dbraw/zinc/33/47/94/569334794.db2.gz MEKPXORZKLGZLW-NHCUHLMSSA-N 0 0 440.496 4.454 50 0 IIAARN O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(c2nc3cccnc3s2)CC1 ZINC000390828743 569354087 /nfs/dbraw/zinc/35/40/87/569354087.db2.gz TYHAYJJFGIPPQS-UHFFFAOYSA-N 0 0 428.945 4.093 50 0 IIAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000020179838 569354964 /nfs/dbraw/zinc/35/49/64/569354964.db2.gz ZZHLDONFSJJKFQ-LELXDKESSA-N 0 0 428.941 4.358 50 0 IIAARN O=C(c1cn(C2CCCCC2)nn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020202193 569355928 /nfs/dbraw/zinc/35/59/28/569355928.db2.gz GPOSZVRDGFTKIN-UHFFFAOYSA-N 0 0 429.568 4.331 50 0 IIAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCc3cccs3)C2=O)c1 ZINC000020323932 569360404 /nfs/dbraw/zinc/36/04/04/569360404.db2.gz BFYQCTRSZJMIJX-OAQYLSRUSA-N 0 0 449.532 4.165 50 0 IIAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(Cl)c1 ZINC000020357109 569361554 /nfs/dbraw/zinc/36/15/54/569361554.db2.gz JCHBDUKJXCHSGV-UHFFFAOYSA-N 0 0 437.927 4.228 50 0 IIAARN Cc1ccc(NC(=O)N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000095353024 569362153 /nfs/dbraw/zinc/36/21/53/569362153.db2.gz AIPXFBBORSONOK-UHFFFAOYSA-N 0 0 439.947 4.481 50 0 IIAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)[C@H](CC)c4ccccc4)CC3)c2c1 ZINC000020375685 569362206 /nfs/dbraw/zinc/36/22/06/569362206.db2.gz PYYYNAHMFRQBPG-JOCHJYFZSA-N 0 0 434.536 4.030 50 0 IIAARN C[C@@H]1CN(c2ccc(C(=O)NC3(c4ccc(Br)cc4)CCC3)cn2)C[C@H](C)O1 ZINC000095364878 569362430 /nfs/dbraw/zinc/36/24/30/569362430.db2.gz SZSDEJVCDGJSET-IYBDPMFKSA-N 0 0 444.373 4.267 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)c1 ZINC000020385151 569363029 /nfs/dbraw/zinc/36/30/29/569363029.db2.gz QRSYKEXEVFDXMW-UHFFFAOYSA-N 0 0 434.517 4.393 50 0 biogenic IIAARN CCOc1ccc2nc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)sc2c1 ZINC000020414535 569364283 /nfs/dbraw/zinc/36/42/83/569364283.db2.gz TYSRNKATOKIIGF-UHFFFAOYSA-N 0 0 434.521 4.384 50 0 IIAARN COc1cccc(CNC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)c1 ZINC000020437654 569365588 /nfs/dbraw/zinc/36/55/88/569365588.db2.gz IRHHXSLJUIFDGD-UHFFFAOYSA-N 0 0 444.535 4.439 50 0 IIAARN CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000095434412 569366486 /nfs/dbraw/zinc/36/64/86/569366486.db2.gz OCBWUZFHKJNOAE-OAHLLOKOSA-N 0 0 433.961 4.477 50 0 IIAARN O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1)c1ccncc1Cl ZINC000095435114 569366510 /nfs/dbraw/zinc/36/65/10/569366510.db2.gz FBUVZWZVQZAGJN-ZDUSSCGKSA-N 0 0 425.838 4.036 50 0 IIAARN CC[C@@H]1CN(C(=O)[C@H](OCC(F)(F)F)c2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000095441487 569366702 /nfs/dbraw/zinc/36/67/02/569366702.db2.gz IOTNOJXHTWTMRM-KBAYOESNSA-N 0 0 444.494 4.458 50 0 IIAARN CN(C(=O)COc1cn(-c2ccccc2)nc1C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000095447682 569367484 /nfs/dbraw/zinc/36/74/84/569367484.db2.gz XDHJBIPQLAVYCE-UHFFFAOYSA-N 0 0 440.503 4.191 50 0 IIAARN COc1ccc(C2(CNC(=O)c3nn(-c4ccccc4)cc3CCCO)CCCCC2)cc1 ZINC000095451454 569367858 /nfs/dbraw/zinc/36/78/58/569367858.db2.gz CSZLCLSGKVSZQJ-UHFFFAOYSA-N 0 0 447.579 4.438 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)[C@H]1c1cccs1 ZINC000020508096 569369640 /nfs/dbraw/zinc/36/96/40/569369640.db2.gz ULBHREPXTWSBAM-DEVSCXNHSA-N 0 0 426.582 4.180 50 0 IIAARN COC(=O)CC1(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CCCCC1 ZINC000095460891 569369798 /nfs/dbraw/zinc/36/97/98/569369798.db2.gz DSDHXNAWZUHVAO-UHFFFAOYSA-N 0 0 429.561 4.255 50 0 IIAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000095465389 569370650 /nfs/dbraw/zinc/37/06/50/569370650.db2.gz UAWGLGIALSNJAI-SJORKVTESA-N 0 0 429.307 4.329 50 0 IIAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CC[C@H](O)c4ccccc4C3)nc12 ZINC000095467300 569371096 /nfs/dbraw/zinc/37/10/96/569371096.db2.gz ZPXWRKZJYNDBMN-QHCPKHFHSA-N 0 0 427.504 4.301 50 0 IIAARN CC(C)c1sc(Br)nc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000095473510 569372474 /nfs/dbraw/zinc/37/24/74/569372474.db2.gz ZJQXHWHIHTWJKL-UHFFFAOYSA-N 0 0 433.331 4.246 50 0 IIAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1O ZINC000095480900 569374065 /nfs/dbraw/zinc/37/40/65/569374065.db2.gz ARVSLQMWOYHKDU-HNNXBMFYSA-N 0 0 433.432 4.006 50 0 IIAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000095942643 569375584 /nfs/dbraw/zinc/37/55/84/569375584.db2.gz BIDBKSWJGSVGOR-UHFFFAOYSA-N 0 0 447.873 4.234 50 0 IIAARN Cn1ccnc1CN1CCC(c2nc(-c3ccccc3OCc3ccccc3)no2)CC1 ZINC000095959380 569376944 /nfs/dbraw/zinc/37/69/44/569376944.db2.gz BKJOPYBRPSUWNJ-UHFFFAOYSA-N 0 0 429.524 4.429 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000095991683 569378333 /nfs/dbraw/zinc/37/83/33/569378333.db2.gz KRLBEWXPJYBDDQ-DWVUQKNYSA-N 0 0 431.964 4.253 50 0 IIAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000095995148 569378626 /nfs/dbraw/zinc/37/86/26/569378626.db2.gz PXRQHLQDORBELP-DOTOQJQBSA-N 0 0 431.508 4.175 50 0 IIAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000096011785 569379888 /nfs/dbraw/zinc/37/98/88/569379888.db2.gz LNMTYAFMOIMVQV-IBGZPJMESA-N 0 0 438.528 4.319 50 0 IIAARN O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000096054748 569381056 /nfs/dbraw/zinc/38/10/56/569381056.db2.gz YMARCSWVABYFJC-UTCJRWHESA-N 0 0 435.867 4.046 50 0 IIAARN CC(C)CCn1ccc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000096114791 569383044 /nfs/dbraw/zinc/38/30/44/569383044.db2.gz YEGRMFAOVUVLQN-NRFANRHFSA-N 0 0 432.524 4.157 50 0 biogenic IIAARN Cc1nc(N(C)C)sc1[C@@H]1c2c(c3ccccc3oc2=O)O[C@H]1C(=O)Nc1ccccc1 ZINC000096115311 569383142 /nfs/dbraw/zinc/38/31/42/569383142.db2.gz KEBHNNBCWBQAIO-YLJYHZDGSA-N 0 0 447.516 4.156 50 0 biogenic IIAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OC(F)F)c2)CCO1 ZINC000096117872 569384296 /nfs/dbraw/zinc/38/42/96/569384296.db2.gz BTSMELNPFURBIT-BLLLJJGKSA-N 0 0 439.484 4.095 50 0 IIAARN O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccccc1Br ZINC000096121461 569385036 /nfs/dbraw/zinc/38/50/36/569385036.db2.gz XQETUIUGJBTKJO-UHFFFAOYSA-N 0 0 425.330 4.016 50 0 IIAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121614 569385044 /nfs/dbraw/zinc/38/50/44/569385044.db2.gz JUMWYQNRVCICNH-UHFFFAOYSA-N 0 0 435.528 4.459 50 0 IIAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2S3)cc2c1OCCCO2 ZINC000096232312 569387744 /nfs/dbraw/zinc/38/77/44/569387744.db2.gz ZGWYTHCUOREHCA-UHFFFAOYSA-N 0 0 449.488 4.221 50 0 IIAARN CC(C)N(CCN1C(=O)CS[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)C ZINC000096279221 569389342 /nfs/dbraw/zinc/38/93/42/569389342.db2.gz PCCAQPCPRGLHQG-KRWDZBQOSA-N 0 0 431.524 4.498 50 0 IIAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000096279438 569389409 /nfs/dbraw/zinc/38/94/09/569389409.db2.gz FRTFLWGQHQVCDR-FQEVSTJZSA-N 0 0 432.609 4.226 50 0 IIAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Cl)cc1OC ZINC000096286816 569390204 /nfs/dbraw/zinc/39/02/04/569390204.db2.gz KOGBOHVGSUAGMJ-UHFFFAOYSA-N 0 0 435.867 4.118 50 0 IIAARN COCCNC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3ccccc3)cn21 ZINC000096288291 569390486 /nfs/dbraw/zinc/39/04/86/569390486.db2.gz YZDQSHZYHZJCKH-UHFFFAOYSA-N 0 0 429.520 4.372 50 0 IIAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)N2CCOCC2)cc1 ZINC000096291229 569391098 /nfs/dbraw/zinc/39/10/98/569391098.db2.gz AWWWIJAMZQRYMP-UHFFFAOYSA-N 0 0 432.351 4.491 50 0 IIAARN COc1ccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096316869 569392898 /nfs/dbraw/zinc/39/28/98/569392898.db2.gz WBILWMUEJJGIGO-UHFFFAOYSA-N 0 0 448.592 4.286 50 0 IIAARN CC[C@H](C)c1nc(COC)c(Cc2cccc(C)c2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317436 569393444 /nfs/dbraw/zinc/39/34/44/569393444.db2.gz SBRJLZBVSWNIAD-FQEVSTJZSA-N 0 0 438.616 4.340 50 0 IIAARN O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2ccc(Cl)c(F)c2)no1 ZINC000096322276 569394519 /nfs/dbraw/zinc/39/45/19/569394519.db2.gz YQMDNSYBAIRHTQ-UHFFFAOYSA-N 0 0 439.809 4.193 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1OC ZINC000096323114 569395105 /nfs/dbraw/zinc/39/51/05/569395105.db2.gz NXUUVBVRUHDIEE-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN O=C(NCCc1cccs1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000096335999 569396808 /nfs/dbraw/zinc/39/68/08/569396808.db2.gz WYPRAOLLLGNNGW-UGKGYDQZSA-N 0 0 435.476 4.245 50 0 IIAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000096372477 569397895 /nfs/dbraw/zinc/39/78/95/569397895.db2.gz ONFFOOUCIKPQCY-UHFFFAOYSA-N 0 0 446.551 4.154 50 0 IIAARN O=C(NCc1csc([C@@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)n1)C1CCC1 ZINC000096372805 569397938 /nfs/dbraw/zinc/39/79/38/569397938.db2.gz JOMDMASLBPHZSG-CQSZACIVSA-N 0 0 435.952 4.372 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc(CCNC(=O)C4CCC4)cs3)C2)c1 ZINC000096373253 569398038 /nfs/dbraw/zinc/39/80/38/569398038.db2.gz FPJVAJYOVVZQHL-IBGZPJMESA-N 0 0 425.598 4.239 50 0 IIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](c2nc(CCNC(=O)C3CCC3)cs2)C1 ZINC000096373250 569398067 /nfs/dbraw/zinc/39/80/67/569398067.db2.gz XXQPBDPNDOCNLG-GOSISDBHSA-N 0 0 446.016 4.204 50 0 IIAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)NCc1cccc(Br)c1 ZINC000096386886 569398786 /nfs/dbraw/zinc/39/87/86/569398786.db2.gz YQLHHILMMVDAPN-LJQANCHMSA-N 0 0 436.309 4.252 50 0 IIAARN CCOc1ccc(CNC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000096396481 569399123 /nfs/dbraw/zinc/39/91/23/569399123.db2.gz HRRQSBOTTXGBPB-UHFFFAOYSA-N 0 0 434.467 4.419 50 0 IIAARN COc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2cccc(Br)c2)c1 ZINC000096594178 569402092 /nfs/dbraw/zinc/40/20/92/569402092.db2.gz JKKDWRHGKIHYOS-KRWDZBQOSA-N 0 0 443.219 4.067 50 0 IIAARN CN(CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)Cc1ccccc1C(F)(F)F ZINC000096993564 569402841 /nfs/dbraw/zinc/40/28/41/569402841.db2.gz VMBUVQXPEHIQDN-UHFFFAOYSA-N 0 0 445.363 4.141 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccc(Cl)cc3)c(C)c2c1 ZINC000002459857 569403578 /nfs/dbraw/zinc/40/35/78/569403578.db2.gz VKRMUEFGHYXWCG-UHFFFAOYSA-N 0 0 448.972 4.398 50 0 IIAARN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000002476467 569404523 /nfs/dbraw/zinc/40/45/23/569404523.db2.gz XMFYDWSLUNZBIP-UHFFFAOYSA-N 0 0 439.489 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4.052 50 0 IIAARN Cc1ccc(C)c(-n2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)c1 ZINC000067216850 569464872 /nfs/dbraw/zinc/46/48/72/569464872.db2.gz ZTAFNKOCJQUCIY-UHFFFAOYSA-N 0 0 435.574 4.473 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3F)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236363 569465445 /nfs/dbraw/zinc/46/54/45/569465445.db2.gz MYYKTTOHHWWKTL-UHFFFAOYSA-N 0 0 446.891 4.198 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000067237057 569465467 /nfs/dbraw/zinc/46/54/67/569465467.db2.gz RKZWWQVXICDDQQ-UHFFFAOYSA-N 0 0 448.548 4.460 50 0 IIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000067237349 569465513 /nfs/dbraw/zinc/46/55/13/569465513.db2.gz MMUVRSLEMXFVFW-INIZCTEOSA-N 0 0 428.533 4.045 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1Cl ZINC000067238045 569465594 /nfs/dbraw/zinc/46/55/94/569465594.db2.gz VVKSQJBLWTWMSM-UHFFFAOYSA-N 0 0 448.976 4.472 50 0 IIAARN O=c1[nH]c2cc(-c3nc(-c4ccccc4Cl)no3)ccc2c(=O)n1CCc1ccccc1 ZINC000038652332 569465744 /nfs/dbraw/zinc/46/57/44/569465744.db2.gz HEMVYAMZRJYYAH-UHFFFAOYSA-N 0 0 444.878 4.303 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)NC(C)(C)C)cc2)cc1 ZINC000038653339 569465772 /nfs/dbraw/zinc/46/57/72/569465772.db2.gz GOMWIGLLXJMJND-UHFFFAOYSA-N 0 0 436.581 4.118 50 0 IIAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)c2C)cc1 ZINC000038654922 569465782 /nfs/dbraw/zinc/46/57/82/569465782.db2.gz GNBUBGJUQKUAOJ-UHFFFAOYSA-N 0 0 437.500 4.085 50 0 IIAARN COc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067245545 569465897 /nfs/dbraw/zinc/46/58/97/569465897.db2.gz JNLRPJSANFJINQ-UHFFFAOYSA-N 0 0 436.942 4.488 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1 ZINC000067257347 569466108 /nfs/dbraw/zinc/46/61/08/569466108.db2.gz IVDXQXLFRFHHDI-UHFFFAOYSA-N 0 0 425.485 4.499 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 ZINC000067257538 569466116 /nfs/dbraw/zinc/46/61/16/569466116.db2.gz KCHWGJDTGDDEOB-UHFFFAOYSA-N 0 0 437.521 4.368 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)N[C@H](C)c4ccc(F)cc4)ccn3n2)cc1C ZINC000067260910 569466421 /nfs/dbraw/zinc/46/64/21/569466421.db2.gz ZSSGIIDBQAMXNM-GOSISDBHSA-N 0 0 432.499 4.186 50 0 IIAARN COc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)c1 ZINC000067288157 569467384 /nfs/dbraw/zinc/46/73/84/569467384.db2.gz HSGXLPKACHVUSY-UHFFFAOYSA-N 0 0 448.542 4.335 50 0 IIAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1OC ZINC000067290154 569467585 /nfs/dbraw/zinc/46/75/85/569467585.db2.gz YTXHMMXDZGQLSO-UHFFFAOYSA-N 0 0 426.523 4.206 50 0 IIAARN COC(=O)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067292888 569467748 /nfs/dbraw/zinc/46/77/48/569467748.db2.gz XOAOLDXZOOREMQ-ZZNYDNHMSA-N 0 0 440.883 4.014 50 0 IIAARN CCOC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)c1 ZINC000067293510 569467791 /nfs/dbraw/zinc/46/77/91/569467791.db2.gz GQTVNQCKPQNWNK-PNHLSOANSA-N 0 0 443.459 4.498 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(Cl)cc3F)oc21 ZINC000067293986 569467836 /nfs/dbraw/zinc/46/78/36/569467836.db2.gz ZLDIIXVCGRQBQX-AZFOCITKSA-N 0 0 430.863 4.375 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(Cl)c3F)oc21 ZINC000067293982 569467868 /nfs/dbraw/zinc/46/78/68/569467868.db2.gz HQHNAMVFWFWFEG-DNIXMOTHSA-N 0 0 430.863 4.375 50 0 IIAARN COC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294302 569467880 /nfs/dbraw/zinc/46/78/80/569467880.db2.gz VYAGSGSKAAJILF-RWEWTDSWSA-N 0 0 429.432 4.113 50 0 IIAARN COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297885 569468047 /nfs/dbraw/zinc/46/80/47/569468047.db2.gz GHEJRKGWYNPSOS-RWEWTDSWSA-N 0 0 429.432 4.113 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298736 569468049 /nfs/dbraw/zinc/46/80/49/569468049.db2.gz LKMZNPWXGLEMEB-IDICYNCBSA-N 0 0 448.397 4.178 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3ccc(C)c(C)c3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067299650 569468168 /nfs/dbraw/zinc/46/81/68/569468168.db2.gz MXFNOYKFKKJVPC-UHFFFAOYSA-N 0 0 426.586 4.104 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038725738 569468306 /nfs/dbraw/zinc/46/83/06/569468306.db2.gz UUPKPADBFNQVHX-PKTZIBPZSA-N 0 0 428.532 4.327 50 0 IIAARN Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067319764 569468596 /nfs/dbraw/zinc/46/85/96/569468596.db2.gz QSYXUBCGYRLXGL-OAHLLOKOSA-N 0 0 436.512 4.131 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000067322213 569468676 /nfs/dbraw/zinc/46/86/76/569468676.db2.gz OXQAZDFKHMJUBA-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067323128 569468715 /nfs/dbraw/zinc/46/87/15/569468715.db2.gz GYZUCKFASWWMQZ-UHFFFAOYSA-N 0 0 436.274 4.232 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)NCc1ccccc1Cl ZINC000067335305 569468895 /nfs/dbraw/zinc/46/88/95/569468895.db2.gz IYJDBMWPTOOGCP-UHFFFAOYSA-N 0 0 445.953 4.161 50 0 IIAARN Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)Cn3c4ccccc4oc3=O)nc21 ZINC000038840316 569469248 /nfs/dbraw/zinc/46/92/48/569469248.db2.gz IULNGYUPRYQTLB-INIZCTEOSA-N 0 0 437.521 4.033 50 0 IIAARN Cc1cc(C)n2nc(S[C@@H](C)c3nc(=O)c4c5c(sc4[nH]3)C[C@H](C)CC5)nc2n1 ZINC000008621860 569469432 /nfs/dbraw/zinc/46/94/32/569469432.db2.gz VWSFXYHPIHFAHI-SKDRFNHKSA-N 0 0 426.571 4.017 50 0 IIAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)cc1 ZINC000008626065 569469492 /nfs/dbraw/zinc/46/94/92/569469492.db2.gz GCYGHGUAUVWEBQ-UHFFFAOYSA-N 0 0 443.565 4.068 50 0 IIAARN O=S(=O)(c1cccs1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038926475 569469494 /nfs/dbraw/zinc/46/94/94/569469494.db2.gz CKPAMQGCIQXSBN-UHFFFAOYSA-N 0 0 429.489 4.218 50 0 IIAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1OC ZINC000008660807 569469720 /nfs/dbraw/zinc/46/97/20/569469720.db2.gz DQOSGPQSAOWUAY-CJNGLKHVSA-N 0 0 426.439 4.089 50 0 IIAARN Cc1ccc(C(=O)N/C(=C\C2=Cc3ccccc3O[C@H]2C)C(=O)NCc2cccnc2)cc1 ZINC000008661007 569469819 /nfs/dbraw/zinc/46/98/19/569469819.db2.gz HICXIJXVEJHKJH-OQLNFPPLSA-N 0 0 439.515 4.185 50 0 IIAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000008662404 569469905 /nfs/dbraw/zinc/46/99/05/569469905.db2.gz SFYYTLXRBRQOHQ-HXUWFJFHSA-N 0 0 432.509 4.044 50 0 IIAARN C[C@H](NC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000008662034 569469917 /nfs/dbraw/zinc/46/99/17/569469917.db2.gz BDWWNXHESBCDBA-RRGIYCPSSA-N 0 0 446.595 4.125 50 0 IIAARN CCc1cccc(C)c1NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008668214 569469993 /nfs/dbraw/zinc/46/99/93/569469993.db2.gz JUZSTMMUXFJHMC-UHFFFAOYSA-N 0 0 441.487 4.052 50 0 IIAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008706479 569470494 /nfs/dbraw/zinc/47/04/94/569470494.db2.gz HNUACKXWWRHIMK-ILZDJORESA-N 0 0 426.586 4.240 50 0 IIAARN CC(=O)Nc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 ZINC000008709125 569470738 /nfs/dbraw/zinc/47/07/38/569470738.db2.gz VSIWTCRONIBDLE-UHFFFAOYSA-N 0 0 434.978 4.228 50 0 IIAARN CCC(CC)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(F)cc1 ZINC000008710320 569470862 /nfs/dbraw/zinc/47/08/62/569470862.db2.gz HRMACMSWSXYEGE-OAQYLSRUSA-N 0 0 431.533 4.311 50 0 IIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008710763 569470909 /nfs/dbraw/zinc/47/09/09/569470909.db2.gz UNAHXTPAIZCZIX-SFHVURJKSA-N 0 0 433.581 4.328 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008720733 569471656 /nfs/dbraw/zinc/47/16/56/569471656.db2.gz QURMICNSGVETJB-HXUWFJFHSA-N 0 0 435.615 4.070 50 0 IIAARN Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000008720260 569471565 /nfs/dbraw/zinc/47/15/65/569471565.db2.gz DELUGJPTCKLAKE-UHFFFAOYSA-N 0 0 427.526 4.280 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000008722156 569471785 /nfs/dbraw/zinc/47/17/85/569471785.db2.gz FNQVZGVSBXAPEA-MRXNPFEDSA-N 0 0 435.889 4.074 50 0 IIAARN CSCC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1nc2ccccc2[nH]1 ZINC000008724716 569472010 /nfs/dbraw/zinc/47/20/10/569472010.db2.gz UFGZUQSOLHWIQP-SFHVURJKSA-N 0 0 429.615 4.235 50 0 IIAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008748978 569473206 /nfs/dbraw/zinc/47/32/06/569473206.db2.gz UGNVJOFOGVBKAL-UHFFFAOYSA-N 0 0 436.537 4.064 50 0 IIAARN Cc1cc(CSc2ncccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)no1 ZINC000008749624 569473295 /nfs/dbraw/zinc/47/32/95/569473295.db2.gz PGWNTYYSTNPCMP-UHFFFAOYSA-N 0 0 433.537 4.403 50 0 IIAARN CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000008749092 569473297 /nfs/dbraw/zinc/47/32/97/569473297.db2.gz MRKKHAQMKQDOJB-UHFFFAOYSA-N 0 0 438.549 4.331 50 0 IIAARN Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1C(C)C ZINC000008760426 569474220 /nfs/dbraw/zinc/47/42/20/569474220.db2.gz WUZIEOYTFRSABB-LJQANCHMSA-N 0 0 433.504 4.317 50 0 IIAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 ZINC000008776117 569475345 /nfs/dbraw/zinc/47/53/45/569475345.db2.gz VTARQSOAGJUOPZ-NRFANRHFSA-N 0 0 445.544 4.330 50 0 IIAARN Cc1c(O[C@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008790881 569476098 /nfs/dbraw/zinc/47/60/98/569476098.db2.gz ZWRHLSBPXJAOOB-WZONZLPQSA-N 0 0 443.499 4.386 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc(CCO)cc1)oc1c3CCCC1 ZINC000008791396 569476208 /nfs/dbraw/zinc/47/62/08/569476208.db2.gz WYZMWUIZBVSEAH-UHFFFAOYSA-N 0 0 431.488 4.442 50 0 biogenic IIAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008791615 569476256 /nfs/dbraw/zinc/47/62/56/569476256.db2.gz PRCZDKZHTMMEHN-ZBFHGGJFSA-N 0 0 428.410 4.387 50 0 biogenic IIAARN CCOC(=O)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000008825114 569477300 /nfs/dbraw/zinc/47/73/00/569477300.db2.gz GLVJETMQQKSZDI-UHFFFAOYSA-N 0 0 430.507 4.018 50 0 IIAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1-c1cc(C)ccc1C ZINC000008825183 569477321 /nfs/dbraw/zinc/47/73/21/569477321.db2.gz ZSASPEYKRRKKFZ-AWEZNQCLSA-N 0 0 443.960 4.141 50 0 IIAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC(=O)c1cccs1 ZINC000008826243 569477586 /nfs/dbraw/zinc/47/75/86/569477586.db2.gz XEXNQRSNMVFSAY-UHFFFAOYSA-N 0 0 426.548 4.106 50 0 IIAARN CCCCCOc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000008833986 569477896 /nfs/dbraw/zinc/47/78/96/569477896.db2.gz BJTAIDSDXOLOKD-QMCAAQAGSA-N 0 0 436.545 4.169 50 0 biogenic IIAARN O=c1c2ccccc2nc(SCc2cc(Cl)c3c(c2)OCCO3)n1C[C@@H]1CCCO1 ZINC000008852281 569479453 /nfs/dbraw/zinc/47/94/53/569479453.db2.gz JVRACOLHWXEPPM-HNNXBMFYSA-N 0 0 444.940 4.292 50 0 IIAARN Cn1c2nc(Oc3ccc4ccccc4c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000008863424 569480214 /nfs/dbraw/zinc/48/02/14/569480214.db2.gz XOPNYXXMGMTDSP-UHFFFAOYSA-N 0 0 446.894 4.081 50 0 biogenic IIAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCCC3)nn2)s1 ZINC000008875880 569481077 /nfs/dbraw/zinc/48/10/77/569481077.db2.gz KFSUWRQRWPMBST-UHFFFAOYSA-N 0 0 426.567 4.299 50 0 IIAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000039517152 569481634 /nfs/dbraw/zinc/48/16/34/569481634.db2.gz BUCRYNBGHHUFOS-UHFFFAOYSA-N 0 0 427.501 4.367 50 0 IIAARN CCONC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000040017404 569482644 /nfs/dbraw/zinc/48/26/44/569482644.db2.gz AXJQWJZRORMEMB-UHFFFAOYSA-N 0 0 444.940 4.417 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 ZINC000040040297 569483474 /nfs/dbraw/zinc/48/34/74/569483474.db2.gz YHVLOSUIAMAOSH-MRXNPFEDSA-N 0 0 430.464 4.253 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)C1 ZINC000040042798 569483490 /nfs/dbraw/zinc/48/34/90/569483490.db2.gz KGAHVOQLQDRYQM-BCXXIDHNSA-N 0 0 425.569 4.335 50 0 IIAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC000008893514 569483603 /nfs/dbraw/zinc/48/36/03/569483603.db2.gz AHQFKIIDZUQXCT-GOEBONIOSA-N 0 0 434.993 4.489 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008896611 569483940 /nfs/dbraw/zinc/48/39/40/569483940.db2.gz SBOSUBIFPDMRHJ-OAHLLOKOSA-N 0 0 437.506 4.256 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)NC(=S)N1c1ccc(OC)c(OC)c1 ZINC000040050436 569484199 /nfs/dbraw/zinc/48/41/99/569484199.db2.gz LGXQDLWFVFWOGQ-NRFANRHFSA-N 0 0 426.538 4.285 50 0 IIAARN Cc1ccc(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccccc4)c(=O)c32)cc1 ZINC000008911530 569484848 /nfs/dbraw/zinc/48/48/48/569484848.db2.gz FSDJUNOZIVKPRL-UHFFFAOYSA-N 0 0 436.515 4.024 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008912296 569484941 /nfs/dbraw/zinc/48/49/41/569484941.db2.gz ULICCBVDGOHJBL-UHFFFAOYSA-N 0 0 432.307 4.447 50 0 IIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000008913328 569485282 /nfs/dbraw/zinc/48/52/82/569485282.db2.gz ZUBCMAWZHHYXEE-UHFFFAOYSA-N 0 0 446.576 4.457 50 0 IIAARN O=C(Nc1ccnn1C1CCCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000040069340 569485311 /nfs/dbraw/zinc/48/53/11/569485311.db2.gz YOBOLMDPRVHZEU-AWEZNQCLSA-N 0 0 431.334 4.142 50 0 IIAARN CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(C)cc2)ncc1Cl ZINC000008916718 569485820 /nfs/dbraw/zinc/48/58/20/569485820.db2.gz ZWBPCETUGQYNSQ-UHFFFAOYSA-N 0 0 445.928 4.063 50 0 IIAARN Cc1ccc(C)c(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)c1 ZINC000008916819 569485860 /nfs/dbraw/zinc/48/58/60/569485860.db2.gz OSJJQNCAEIAZJI-UHFFFAOYSA-N 0 0 433.892 4.112 50 0 IIAARN COc1ccccc1-c1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)no1 ZINC000040087379 569486760 /nfs/dbraw/zinc/48/67/60/569486760.db2.gz FXJVTKSBUWFYEF-UHFFFAOYSA-N 0 0 429.879 4.101 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCC)c(OCC)c2)N3)C1 ZINC000008921440 569486818 /nfs/dbraw/zinc/48/68/18/569486818.db2.gz RBKAINODUHQGDB-LJQANCHMSA-N 0 0 445.541 4.489 50 0 IIAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008924015 569487142 /nfs/dbraw/zinc/48/71/42/569487142.db2.gz YISLHRWRDVWWBP-UHFFFAOYSA-N 0 0 438.505 4.452 50 0 IIAARN CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933268 569487794 /nfs/dbraw/zinc/48/77/94/569487794.db2.gz DSDNOOLURQKJBA-IBGZPJMESA-N 0 0 430.552 4.239 50 0 IIAARN O=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000008943762 569488880 /nfs/dbraw/zinc/48/88/80/569488880.db2.gz WEYILVWOTBFWKE-UHFFFAOYSA-N 0 0 427.460 4.200 50 0 IIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N(CC)C(C)C)cc2)C1=O ZINC000008945051 569488997 /nfs/dbraw/zinc/48/89/97/569488997.db2.gz QPUHLRJEDYKTMH-VWLOTQADSA-N 0 0 436.556 4.107 50 0 IIAARN COc1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000040121678 569489541 /nfs/dbraw/zinc/48/95/41/569489541.db2.gz ZJFWNSKUKWEXIK-QGZVFWFLSA-N 0 0 439.409 4.338 50 0 IIAARN CCOC(=O)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000008953127 569490058 /nfs/dbraw/zinc/49/00/58/569490058.db2.gz WVCSRBOWBRFNTD-GDNBJRDFSA-N 0 0 436.942 4.450 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)c2sc(C)nc2c1=O ZINC000008956067 569490221 /nfs/dbraw/zinc/49/02/21/569490221.db2.gz MTHPDMPLTYHCAT-UHFFFAOYSA-N 0 0 446.941 4.191 50 0 IIAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000040133618 569490462 /nfs/dbraw/zinc/49/04/62/569490462.db2.gz RFXDDVQNBRIHCY-UHFFFAOYSA-N 0 0 426.879 4.348 50 0 IIAARN COc1cc(C)c([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3F)c2C)cc1OC ZINC000040134364 569490523 /nfs/dbraw/zinc/49/05/23/569490523.db2.gz YDTVHNAWONDESB-OAHLLOKOSA-N 0 0 425.504 4.374 50 0 IIAARN COc1cc(C)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3F)c2C)cc1OC ZINC000040134365 569490530 /nfs/dbraw/zinc/49/05/30/569490530.db2.gz YDTVHNAWONDESB-HNNXBMFYSA-N 0 0 425.504 4.374 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)N2CCCc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000008965492 569491421 /nfs/dbraw/zinc/49/14/21/569491421.db2.gz KMHMEGVFXPRWLB-OAQYLSRUSA-N 0 0 449.624 4.411 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCCc1ccccc1 ZINC000008965337 569491471 /nfs/dbraw/zinc/49/14/71/569491471.db2.gz FDPLVLDSJAMNHZ-UHFFFAOYSA-N 0 0 442.563 4.333 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nncn1-c1ccccc1OC ZINC000008966146 569491657 /nfs/dbraw/zinc/49/16/57/569491657.db2.gz LPXFIXJSQFWIAU-UHFFFAOYSA-N 0 0 426.542 4.313 50 0 IIAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1OC ZINC000008969452 569491976 /nfs/dbraw/zinc/49/19/76/569491976.db2.gz FBKMHJSXXAENMW-JOCHJYFZSA-N 0 0 437.492 4.171 50 0 IIAARN COc1cc(C)c(NC(=O)c2ccc(COc3ccc4c(c3)CCC(=O)N4)o2)cc1OC ZINC000040144223 569492027 /nfs/dbraw/zinc/49/20/27/569492027.db2.gz FYIGBGSOMZYIFS-UHFFFAOYSA-N 0 0 436.464 4.321 50 0 IIAARN COc1cccc(NC(=O)CN(C(=O)Cc2cnn(-c3ccccc3)c2)c2ccccc2)c1 ZINC000040146262 569492214 /nfs/dbraw/zinc/49/22/14/569492214.db2.gz CVWFANGBSWONPC-UHFFFAOYSA-N 0 0 440.503 4.095 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)N(C)CCCCCc3cc(-c4ccccc4)n[nH]3)c12 ZINC000040146846 569492366 /nfs/dbraw/zinc/49/23/66/569492366.db2.gz LAWNECMLQXXIAC-UHFFFAOYSA-N 0 0 430.556 4.460 50 0 IIAARN CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008971035 569492653 /nfs/dbraw/zinc/49/26/53/569492653.db2.gz HHNSVAPYDBRCDE-OAQYLSRUSA-N 0 0 432.505 4.243 50 0 IIAARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000008970963 569492666 /nfs/dbraw/zinc/49/26/66/569492666.db2.gz ICBLFDZETZKOAY-UHFFFAOYSA-N 0 0 431.444 4.495 50 0 biogenic IIAARN Cc1c(O[C@@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008971648 569492713 /nfs/dbraw/zinc/49/27/13/569492713.db2.gz ZWRHLSBPXJAOOB-MBSDFSHPSA-N 0 0 443.499 4.386 50 0 biogenic IIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccncc1)c1ccc(Cl)cc1 ZINC000008979424 569493030 /nfs/dbraw/zinc/49/30/30/569493030.db2.gz MCMCIIGADOMWCD-INIZCTEOSA-N 0 0 426.929 4.180 50 0 IIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1csc(-c2cnn(C)c2)n1 ZINC000040150476 569493141 /nfs/dbraw/zinc/49/31/41/569493141.db2.gz IHUVGPKSHADHKN-UHFFFAOYSA-N 0 0 428.495 4.116 50 0 IIAARN Cc1cc2oc(=O)cc(COC(=O)Cc3csc(-c4ncccn4)n3)c2cc1C(C)C ZINC000040150439 569493147 /nfs/dbraw/zinc/49/31/47/569493147.db2.gz JQXIFQGKQVJYEO-UHFFFAOYSA-N 0 0 435.505 4.424 50 0 IIAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1NC(=O)COc1cc(C)ccc1C ZINC000040150655 569493257 /nfs/dbraw/zinc/49/32/57/569493257.db2.gz IWJQVEBLAKACSP-UHFFFAOYSA-N 0 0 425.510 4.347 50 0 IIAARN CCS(=O)(=O)N1CCC(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)CC1 ZINC000040151930 569493362 /nfs/dbraw/zinc/49/33/62/569493362.db2.gz RIPUYYAJHMCYNW-XMMPIXPASA-N 0 0 440.609 4.073 50 0 IIAARN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@@H]1c1csc(C)n1 ZINC000040152394 569493441 /nfs/dbraw/zinc/49/34/41/569493441.db2.gz XSGMUAJABQHYCH-OAHLLOKOSA-N 0 0 438.372 4.097 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000040152588 569493463 /nfs/dbraw/zinc/49/34/63/569493463.db2.gz RABYBPZWDJJJHZ-UHFFFAOYSA-N 0 0 434.503 4.392 50 0 IIAARN Cc1cccc(Nc2nn(CN3CCC(C(=O)Nc4ccccn4)CC3)c(=S)s2)c1 ZINC000040155484 569493931 /nfs/dbraw/zinc/49/39/31/569493931.db2.gz DGQPIZAEICXBHJ-UHFFFAOYSA-N 0 0 440.598 4.429 50 0 IIAARN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cnc(-c2cccc(F)c2)nc1 ZINC000040157511 569494322 /nfs/dbraw/zinc/49/43/22/569494322.db2.gz RWGOJEOCOPMIES-UHFFFAOYSA-N 0 0 432.411 4.146 50 0 IIAARN CC(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cccs1 ZINC000040157313 569494341 /nfs/dbraw/zinc/49/43/41/569494341.db2.gz QNILLWMHJFZMFZ-QFBILLFUSA-N 0 0 438.590 4.192 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2F)C1 ZINC000008992967 569495432 /nfs/dbraw/zinc/49/54/32/569495432.db2.gz MJTBBQYSKVEOFH-JOCHJYFZSA-N 0 0 437.496 4.189 50 0 IIAARN NC(=O)c1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000040227664 569496601 /nfs/dbraw/zinc/49/66/01/569496601.db2.gz VZQSPQCIUQUSAL-UHFFFAOYSA-N 0 0 438.456 4.054 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000009013554 569496643 /nfs/dbraw/zinc/49/66/43/569496643.db2.gz DOEDEFKGCVGNNU-VPBXCIAMSA-N 0 0 434.495 4.268 50 0 IIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(N5CCOCC5)ncn4)cc3)sc2c1 ZINC000244983880 569496802 /nfs/dbraw/zinc/49/68/02/569496802.db2.gz IUXOIIQPKVEUOI-UHFFFAOYSA-N 0 0 431.521 4.151 50 0 IIAARN CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000009023432 569497042 /nfs/dbraw/zinc/49/70/42/569497042.db2.gz UZNMHZRUJOYEGI-UHFFFAOYSA-N 0 0 426.851 4.445 50 0 IIAARN COc1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CC[C@H](C(C)(C)C)C4)cc1OC ZINC000009029115 569497056 /nfs/dbraw/zinc/49/70/56/569497056.db2.gz DPBQYDSJUQPKPD-AWEZNQCLSA-N 0 0 441.553 4.177 50 0 IIAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ncc(C)s3)c3ccccc3C(=O)N2C)cc1OC ZINC000040284935 569497975 /nfs/dbraw/zinc/49/79/75/569497975.db2.gz WCEHIMUZSCTVFI-WOJBJXKFSA-N 0 0 437.521 4.018 50 0 IIAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)ccc1Cl ZINC000040287286 569498183 /nfs/dbraw/zinc/49/81/83/569498183.db2.gz QCVYXALAHQOVOH-FQEVSTJZSA-N 0 0 440.887 4.038 50 0 IIAARN COc1ccc(Br)cc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ncccn1 ZINC000040287788 569498273 /nfs/dbraw/zinc/49/82/73/569498273.db2.gz HBCXBXGYNJEYTL-INIZCTEOSA-N 0 0 446.330 4.166 50 0 IIAARN CCCn1c(SCC(=O)NC[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009049648 569498531 /nfs/dbraw/zinc/49/85/31/569498531.db2.gz AAWVPYHHGUYYGG-OAHLLOKOSA-N 0 0 429.973 4.472 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000009054278 569498901 /nfs/dbraw/zinc/49/89/01/569498901.db2.gz UQYQFMLNGUMVPI-GCJKJVERSA-N 0 0 437.540 4.311 50 0 IIAARN COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c3cccc4Br)c2c1 ZINC000040312679 569498927 /nfs/dbraw/zinc/49/89/27/569498927.db2.gz QYTYLOWXTIYNNC-UHFFFAOYSA-N 0 0 426.314 4.253 50 0 biogenic IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000009054285 569498940 /nfs/dbraw/zinc/49/89/40/569498940.db2.gz UQYQFMLNGUMVPI-PGRDOPGGSA-N 0 0 437.540 4.311 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056208 569498961 /nfs/dbraw/zinc/49/89/61/569498961.db2.gz SCTFVMJUUFGVKB-MRXNPFEDSA-N 0 0 447.520 4.066 50 0 IIAARN COc1cccc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009059022 569499265 /nfs/dbraw/zinc/49/92/65/569499265.db2.gz OPDDNPULPUFQMH-GBXCKJPGSA-N 0 0 432.863 4.430 50 0 IIAARN COc1cccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@H](c3ccc(F)cc3)C2)c1 ZINC000009059065 569499342 /nfs/dbraw/zinc/49/93/42/569499342.db2.gz VMUFLDCEYRXDRT-QHCPKHFHSA-N 0 0 429.451 4.172 50 0 IIAARN O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009069249 569499981 /nfs/dbraw/zinc/49/99/81/569499981.db2.gz MQFRNQJJBMRWQQ-NRFANRHFSA-N 0 0 440.952 4.384 50 0 IIAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)CC(=O)OC)c2c1C ZINC000009077110 569500333 /nfs/dbraw/zinc/50/03/33/569500333.db2.gz DPMXSOURHLNDOQ-UHFFFAOYSA-N 0 0 445.566 4.078 50 0 IIAARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000009086445 569500707 /nfs/dbraw/zinc/50/07/07/569500707.db2.gz GKBRTIDQHRHWSH-YCAMKHIRSA-N 0 0 438.458 4.098 50 0 IIAARN O=C(CNc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000069324246 569500877 /nfs/dbraw/zinc/50/08/77/569500877.db2.gz PYGUIFJZRZRVPG-UHFFFAOYSA-N 0 0 436.821 4.066 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2cc(Br)cnc2[nH]1 ZINC000009090153 569500982 /nfs/dbraw/zinc/50/09/82/569500982.db2.gz QMDDYNDJGZQYQE-UHFFFAOYSA-N 0 0 441.738 4.422 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)C1 ZINC000245245331 569501137 /nfs/dbraw/zinc/50/11/37/569501137.db2.gz FKMPIXUZJPDRMJ-NUJGCVRESA-N 0 0 437.519 4.145 50 0 IIAARN CCCCOCCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21 ZINC000009096580 569501483 /nfs/dbraw/zinc/50/14/83/569501483.db2.gz OPDZBGKPXBINLS-SANMLTNESA-N 0 0 447.579 4.355 50 0 IIAARN CC1=C(C(=O)Nc2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)SCCO1 ZINC000009115223 569502694 /nfs/dbraw/zinc/50/26/94/569502694.db2.gz YMCGLQPCJPSDQN-UHFFFAOYSA-N 0 0 426.538 4.337 50 0 IIAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)c1 ZINC000009115454 569502731 /nfs/dbraw/zinc/50/27/31/569502731.db2.gz AMUBSEDCRMSMLD-PMERELPUSA-N 0 0 447.940 4.231 50 0 IIAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5cccs5)C4)sc3n2)cc1 ZINC000009117521 569503147 /nfs/dbraw/zinc/50/31/47/569503147.db2.gz SOIXXBRCMCGNKI-QGZVFWFLSA-N 0 0 437.594 4.361 50 0 IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2)C(C(=O)OC)=C1C ZINC000245325475 569503468 /nfs/dbraw/zinc/50/34/68/569503468.db2.gz ABMGCTMZBGNOHT-TUNNFDKTSA-N 0 0 449.576 4.127 50 0 IIAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCC(Cc5ccccc5)CC4)c3)C(=O)[C@H]21 ZINC000245343609 569504467 /nfs/dbraw/zinc/50/44/67/569504467.db2.gz TXZBGNQDFUBGGN-WVQWTBLQSA-N 0 0 442.559 4.483 50 0 IIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2c(F)cccc2F)cc1 ZINC000009132332 569506988 /nfs/dbraw/zinc/50/69/88/569506988.db2.gz WGPKBIMUGORNTF-CQSZACIVSA-N 0 0 427.476 4.328 50 0 IIAARN CC(=O)c1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 ZINC000009152463 569507842 /nfs/dbraw/zinc/50/78/42/569507842.db2.gz IETKEHYIYDJDGK-UHFFFAOYSA-N 0 0 443.488 4.057 50 0 IIAARN Cc1cc(C)c(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 ZINC000009152843 569507950 /nfs/dbraw/zinc/50/79/50/569507950.db2.gz NNWGBHKJWLYNTR-HZPDHXFCSA-N 0 0 446.594 4.236 50 0 IIAARN CCOc1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc(OCC)c1OCC ZINC000009153134 569507974 /nfs/dbraw/zinc/50/79/74/569507974.db2.gz PWIUHPYUKPMVER-UHFFFAOYSA-N 0 0 439.512 4.211 50 0 IIAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000009162004 569508777 /nfs/dbraw/zinc/50/87/77/569508777.db2.gz QKBBGZSUBBGFMX-IRXDYDNUSA-N 0 0 432.929 4.072 50 0 IIAARN C[C@H]1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2S1 ZINC000009166190 569508878 /nfs/dbraw/zinc/50/88/78/569508878.db2.gz YJXVRINZDZBSTJ-ZDUSSCGKSA-N 0 0 441.534 4.475 50 0 IIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168315 569509146 /nfs/dbraw/zinc/50/91/46/569509146.db2.gz SQRAAYHMTDESQR-UHFFFAOYSA-N 0 0 434.533 4.343 50 0 IIAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccn4)n2)COC(C)(C)C3)cc1 ZINC000009186996 569510294 /nfs/dbraw/zinc/51/02/94/569510294.db2.gz MYPVBQAXWUTSDM-UHFFFAOYSA-N 0 0 436.537 4.129 50 0 IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009197661 569511024 /nfs/dbraw/zinc/51/10/24/569511024.db2.gz GQTXRYXJYHFGPU-NHCUHLMSSA-N 0 0 437.569 4.254 50 0 IIAARN CCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)cc1 ZINC000009198037 569511036 /nfs/dbraw/zinc/51/10/36/569511036.db2.gz IZLOJMSZFZJYOM-QGZVFWFLSA-N 0 0 436.537 4.326 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1CC)S2 ZINC000009198095 569511041 /nfs/dbraw/zinc/51/10/41/569511041.db2.gz YGFZMCMHNGJCAQ-MOPGFXCFSA-N 0 0 427.961 4.454 50 0 IIAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)s1 ZINC000009215655 569512001 /nfs/dbraw/zinc/51/20/01/569512001.db2.gz FJPXFAPMARFLBL-INIZCTEOSA-N 0 0 427.844 4.495 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000009218390 569512351 /nfs/dbraw/zinc/51/23/51/569512351.db2.gz JHFAIIXWKWRJJV-NRFANRHFSA-N 0 0 433.526 4.241 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009222161 569512662 /nfs/dbraw/zinc/51/26/62/569512662.db2.gz YSHLTJKGPCNQLX-UHFFFAOYSA-N 0 0 440.565 4.405 50 0 IIAARN COCC(=O)Nc1c2ccccc2oc1C(=O)N(Cc1ccc(F)cc1)Cc1cccnc1 ZINC000009228437 569513600 /nfs/dbraw/zinc/51/36/00/569513600.db2.gz NMBISWMIQPYGTL-UHFFFAOYSA-N 0 0 447.466 4.394 50 0 IIAARN CCN(C(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000009229253 569513712 /nfs/dbraw/zinc/51/37/12/569513712.db2.gz DVCBEMZZRMXYQA-UHFFFAOYSA-N 0 0 433.533 4.489 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009239220 569514492 /nfs/dbraw/zinc/51/44/92/569514492.db2.gz KHEIFIGMCBEZAG-QZTJIDSGSA-N 0 0 431.924 4.421 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 ZINC000009239512 569514533 /nfs/dbraw/zinc/51/45/33/569514533.db2.gz ZCDJDZXSBDNISO-RTWAWAEBSA-N 0 0 437.569 4.336 50 0 IIAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000009244384 569515010 /nfs/dbraw/zinc/51/50/10/569515010.db2.gz WWQGUVCUKFJWGT-AREMUKBSSA-N 0 0 428.488 4.098 50 0 IIAARN CCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nc2sc(C)c(C)c2c1=O ZINC000009244742 569515141 /nfs/dbraw/zinc/51/51/41/569515141.db2.gz YKCZSLCMVOCUCF-UHFFFAOYSA-N 0 0 444.582 4.152 50 0 IIAARN CCOc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c(C)c2c1 ZINC000009245803 569515420 /nfs/dbraw/zinc/51/54/20/569515420.db2.gz JNXBTOXXOOTVQG-UHFFFAOYSA-N 0 0 430.507 4.405 50 0 IIAARN Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(F)c1F ZINC000009249902 569515530 /nfs/dbraw/zinc/51/55/30/569515530.db2.gz VKSVQEAAYUUZQA-AWEZNQCLSA-N 0 0 447.894 4.478 50 0 IIAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 ZINC000009249927 569515603 /nfs/dbraw/zinc/51/56/03/569515603.db2.gz SVSIVONVJZBCHR-INIZCTEOSA-N 0 0 427.476 4.133 50 0 IIAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c(OC)c1OC ZINC000009250742 569515683 /nfs/dbraw/zinc/51/56/83/569515683.db2.gz NZXPSFHHKVRKIF-OAQYLSRUSA-N 0 0 443.500 4.120 50 0 IIAARN C=C1C(NCCc2ccc(OCC)c(OCC)c2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000009251713 569515949 /nfs/dbraw/zinc/51/59/49/569515949.db2.gz IWPBIZPPQNVKMA-UHFFFAOYSA-N 0 0 428.554 4.098 50 0 IIAARN O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009253001 569516055 /nfs/dbraw/zinc/51/60/55/569516055.db2.gz DPCBNJPVKQJMIZ-XIDKLXSXSA-N 0 0 427.551 4.323 50 0 biogenic IIAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1N ZINC000009253167 569516146 /nfs/dbraw/zinc/51/61/46/569516146.db2.gz HKWYKXQZJXOZLT-OAHLLOKOSA-N 0 0 441.866 4.445 50 0 IIAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009254743 569516443 /nfs/dbraw/zinc/51/64/43/569516443.db2.gz WGKJTUWBWYEMQO-IIBYNOLFSA-N 0 0 429.549 4.490 50 0 IIAARN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000009262927 569517086 /nfs/dbraw/zinc/51/70/86/569517086.db2.gz RWVDULNLXJKWDU-UHFFFAOYSA-N 0 0 430.505 4.161 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3cccc(F)c3)c2n1 ZINC000009267943 569517510 /nfs/dbraw/zinc/51/75/10/569517510.db2.gz BVDIGJBOAREDFJ-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN Cc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCCCCC4)ccc3c2=O)s1 ZINC000009274412 569518127 /nfs/dbraw/zinc/51/81/27/569518127.db2.gz VZQBMLMDIZBCST-UHFFFAOYSA-N 0 0 433.537 4.372 50 0 IIAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1C ZINC000009274146 569518147 /nfs/dbraw/zinc/51/81/47/569518147.db2.gz WELNGGMOCVNFFG-UHFFFAOYSA-N 0 0 440.540 4.133 50 0 IIAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCCc2ccccc2)C1=S ZINC000009280182 569518536 /nfs/dbraw/zinc/51/85/36/569518536.db2.gz ZDGOYBIHCVCICF-IBGZPJMESA-N 0 0 429.973 4.119 50 0 IIAARN Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)cc(=O)oc2c1 ZINC000009282808 569518718 /nfs/dbraw/zinc/51/87/18/569518718.db2.gz GKNDRNCPBXSGMR-NRFANRHFSA-N 0 0 431.275 4.375 50 0 IIAARN Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1 ZINC000009283759 569518883 /nfs/dbraw/zinc/51/88/83/569518883.db2.gz ZHYRWYUCIKYTHH-UHFFFAOYSA-N 0 0 430.460 4.040 50 0 IIAARN CSc1nc2ccc(NC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)cc2s1 ZINC000009283923 569518971 /nfs/dbraw/zinc/51/89/71/569518971.db2.gz POCZKNQCJNWIOV-UHFFFAOYSA-N 0 0 428.564 4.297 50 0 IIAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(Cl)c2)cc1OC ZINC000009288888 569519489 /nfs/dbraw/zinc/51/94/89/569519489.db2.gz TUPRLZVOGWXTQC-UHFFFAOYSA-N 0 0 449.898 4.311 50 0 IIAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000009289192 569519544 /nfs/dbraw/zinc/51/95/44/569519544.db2.gz WFEWBOKZMPLVFN-RUZDIDTESA-N 0 0 427.479 4.179 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000009296240 569520464 /nfs/dbraw/zinc/52/04/64/569520464.db2.gz GPDMNVOIZDAQMO-UHFFFAOYSA-N 0 0 442.972 4.155 50 0 IIAARN CSC1=NC2(CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)N=C1c1ccccc1 ZINC000009300080 569520608 /nfs/dbraw/zinc/52/06/08/569520608.db2.gz ZHFCCONCLQBXTC-UHFFFAOYSA-N 0 0 427.595 4.049 50 0 IIAARN COc1cc(-c2noc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)n2)cc(OC)c1OC ZINC000009300500 569520653 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C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009339178 569523696 /nfs/dbraw/zinc/52/36/96/569523696.db2.gz IFMUOAYTVPRXRG-KKSFZXQISA-N 0 0 435.553 4.017 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009344712 569524027 /nfs/dbraw/zinc/52/40/27/569524027.db2.gz OSRKWRLGINZCAQ-JOCHJYFZSA-N 0 0 425.440 4.325 50 0 IIAARN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CSCN4C(=O)c4ccccc4)CC3)c2c1 ZINC000069947780 569525000 /nfs/dbraw/zinc/52/50/00/569525000.db2.gz DUXITCOCMCWSHG-HSZRJFAPSA-N 0 0 447.560 4.008 50 0 IIAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009367087 569526385 /nfs/dbraw/zinc/52/63/85/569526385.db2.gz MSFDZNGSBIYFTR-UHFFFAOYSA-N 0 0 446.532 4.062 50 0 IIAARN Cc1cccc(-c2nnc3sc(NC(=O)COc4cccc(C(F)(F)F)c4)nn32)c1 ZINC000041076446 569526442 /nfs/dbraw/zinc/52/64/42/569526442.db2.gz XRBFQFRSEYCPPP-UHFFFAOYSA-N 0 0 433.415 4.198 50 0 IIAARN Cc1ccc(-c2nnc3sc(NC(=O)c4ccc(Br)cc4)nn32)cc1F ZINC000041076591 569526479 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COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2cccc(OC)c2)cc1 ZINC000033269039 523154763 /nfs/dbraw/zinc/15/47/63/523154763.db2.gz RYVPASBPHJDPRS-UHFFFAOYSA-N 0 0 448.548 4.130 50 0 IIAARN COc1ccc(-c2csc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)n2)cc1OC ZINC000021973529 523168077 /nfs/dbraw/zinc/16/80/77/523168077.db2.gz GDYWYJAETIUWLW-UHFFFAOYSA-N 0 0 446.912 4.433 50 0 IIAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000021915734 523177192 /nfs/dbraw/zinc/17/71/92/523177192.db2.gz KIYULNMIQSIVBQ-UHFFFAOYSA-N 0 0 449.536 4.164 50 0 IIAARN COc1ccc(-c2nc(C(=O)N(C)Cc3cccc(OC)c3OC)cs2)cc1OC ZINC000021635906 523187708 /nfs/dbraw/zinc/18/77/08/523187708.db2.gz SCUSTOYEKPCNQQ-UHFFFAOYSA-N 0 0 428.510 4.117 50 0 IIAARN COC(=O)CNC(=O)c1ccc(Nc2ncnc3cc(-c4ccc(OC)cc4)sc32)cc1 ZINC000012739607 523205892 /nfs/dbraw/zinc/20/58/92/523205892.db2.gz UIAKYZLIWQLVPZ-UHFFFAOYSA-N 0 0 448.504 4.013 50 0 IIAARN CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1C1CC1 ZINC000012614132 523219472 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439.821 4.155 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000036041248 523672603 /nfs/dbraw/zinc/67/26/03/523672603.db2.gz UNTJLRXCGAJFMS-RPWUZVMVSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020614644 523707990 /nfs/dbraw/zinc/70/79/90/523707990.db2.gz YUNYKZFLBLCPGE-OAQYLSRUSA-N 0 0 445.562 4.019 50 0 IIAARN COc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1Br ZINC000012920801 523710772 /nfs/dbraw/zinc/71/07/72/523710772.db2.gz JSTJKKZPKXIHPD-UHFFFAOYSA-N 0 0 428.330 4.249 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000012551171 523746501 /nfs/dbraw/zinc/74/65/01/523746501.db2.gz FURSTHMHXONBQW-IBGZPJMESA-N 0 0 439.821 4.155 50 0 IIAARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1Br ZINC000017265783 523769472 /nfs/dbraw/zinc/76/94/72/523769472.db2.gz BUPIOUIQPKPDHY-UHFFFAOYSA-N 0 0 432.192 4.272 50 0 IIAARN CN(C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1 ZINC000011882357 523845036 /nfs/dbraw/zinc/84/50/36/523845036.db2.gz MLXJMSZMPCOLOB-VWLOTQADSA-N 0 0 442.987 4.316 50 0 IIAARN CN(C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O)C1CCCCC1 ZINC000014879747 523845265 /nfs/dbraw/zinc/84/52/65/523845265.db2.gz GMDLODCFQGXZEL-VWLOTQADSA-N 0 0 428.548 4.336 50 0 IIAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020978566 523854225 /nfs/dbraw/zinc/85/42/25/523854225.db2.gz VAEHVJDGBYNUOM-UHFFFAOYSA-N 0 0 445.972 4.377 50 0 IIAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccccn4)cc3)CCOCC2)cc1 ZINC000012420466 523867345 /nfs/dbraw/zinc/86/73/45/523867345.db2.gz ZHYUFTNIOZUUDU-UHFFFAOYSA-N 0 0 431.492 4.029 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960681 523875758 /nfs/dbraw/zinc/87/57/58/523875758.db2.gz WZUVTOBDVNXBRV-NRFANRHFSA-N 0 0 442.947 4.076 50 0 IIAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(F)c3)CC2)cc1 ZINC000035374207 523887223 /nfs/dbraw/zinc/88/72/23/523887223.db2.gz FIHXGIPQKXRZKO-UHFFFAOYSA-N 0 0 432.543 4.348 50 0 IIAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000012882932 523910152 /nfs/dbraw/zinc/91/01/52/523910152.db2.gz XFLDUOFKQCVAGA-QFIPXVFZSA-N 0 0 442.471 4.366 50 0 biogenic IIAARN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022908199 523968196 /nfs/dbraw/zinc/96/81/96/523968196.db2.gz XGZSMWKCUSZKPX-QFIPXVFZSA-N 0 0 433.577 4.165 50 0 IIAARN COc1ccc(CCNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1OC ZINC000021914358 523972515 /nfs/dbraw/zinc/97/25/15/523972515.db2.gz HJTWHJOFXVGZSX-UHFFFAOYSA-N 0 0 444.535 4.311 50 0 IIAARN CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021661761 523988667 /nfs/dbraw/zinc/98/86/67/523988667.db2.gz LPJYSBVCIOLTSH-YWZLYKJASA-N 0 0 427.932 4.112 50 0 IIAARN COc1ccc(CN(C(=O)c2cnc3ccccn3c2=O)C2CCCC2)cc1OC(C)C ZINC000012244416 523991962 /nfs/dbraw/zinc/99/19/62/523991962.db2.gz GVVZYSFROFZCJJ-UHFFFAOYSA-N 0 0 435.524 4.075 50 0 IIAARN CCc1ccc(OCC(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378656 524004740 /nfs/dbraw/zinc/00/47/40/524004740.db2.gz UDIZFKWGXSDBFW-UHFFFAOYSA-N 0 0 447.491 4.063 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378675 524005229 /nfs/dbraw/zinc/00/52/29/524005229.db2.gz MIRTUXLQAKDCLP-UHFFFAOYSA-N 0 0 447.491 4.063 50 0 IIAARN CCc1ccc(OC[C@@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000012892712 524007315 /nfs/dbraw/zinc/00/73/15/524007315.db2.gz BPDPHXAQVLOHRW-CYBMUJFWSA-N 0 0 431.867 4.496 50 0 IIAARN COc1ccc(CN(CC(F)(F)F)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000012856920 524012293 /nfs/dbraw/zinc/01/22/93/524012293.db2.gz DCRKBAGPLJYLFW-UHFFFAOYSA-N 0 0 447.457 4.003 50 0 IIAARN COc1ccc(CN(Cc2ccc(F)cc2)C(=O)C2CCC2)cc1OS(=O)(=O)C(C)C ZINC000036008608 524014766 /nfs/dbraw/zinc/01/47/66/524014766.db2.gz JCEFDBFTOXQLSV-UHFFFAOYSA-N 0 0 449.544 4.280 50 0 IIAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NC4CCCCC4)nc23)cc1 ZINC000020516428 524018159 /nfs/dbraw/zinc/01/81/59/524018159.db2.gz ZCCLTUVMWMECNS-UHFFFAOYSA-N 0 0 441.582 4.479 50 0 IIAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000035988934 524022441 /nfs/dbraw/zinc/02/24/41/524022441.db2.gz BVNKIFOIQFMEBU-UHFFFAOYSA-N 0 0 438.446 4.418 50 0 IIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000021588428 524043190 /nfs/dbraw/zinc/04/31/90/524043190.db2.gz VGAJCIIHEWKCKO-UHFFFAOYSA-N 0 0 436.430 4.105 50 0 IIAARN CCc1cccc(C)c1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021762861 524063472 /nfs/dbraw/zinc/06/34/72/524063472.db2.gz PZAZZPSKCALWGP-UHFFFAOYSA-N 0 0 449.473 4.370 50 0 IIAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2OC)O3)cc1 ZINC000032983679 524066847 /nfs/dbraw/zinc/06/68/47/524066847.db2.gz ODUVLIQJBZPOBW-UCQKPKSFSA-N 0 0 430.460 4.006 50 0 IIAARN COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000020901456 524067902 /nfs/dbraw/zinc/06/79/02/524067902.db2.gz YYIUAQUEVYGERD-UHFFFAOYSA-N 0 0 443.503 4.495 50 0 IIAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1 ZINC000035398472 524088200 /nfs/dbraw/zinc/08/82/00/524088200.db2.gz WFELMOCOONXXCN-QGZVFWFLSA-N 0 0 434.515 4.385 50 0 IIAARN COc1cccc([C@@H](CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)n2cccc2)c1 ZINC000020998452 524092781 /nfs/dbraw/zinc/09/27/81/524092781.db2.gz JBPUEMMUQMXVAX-RUZDIDTESA-N 0 0 431.536 4.028 50 0 IIAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCc3nc4ccccc4o3)ccc2Cl)C1 ZINC000021314602 524101612 /nfs/dbraw/zinc/10/16/12/524101612.db2.gz SHRSBUJKZPNSMA-AWEZNQCLSA-N 0 0 448.928 4.259 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000032964190 524117099 /nfs/dbraw/zinc/11/70/99/524117099.db2.gz GKKISVOETQXUMN-OAHLLOKOSA-N 0 0 438.952 4.314 50 0 IIAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531011 524124351 /nfs/dbraw/zinc/12/43/51/524124351.db2.gz YKEOZCSZJUWNGY-SANMLTNESA-N 0 0 439.559 4.349 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000035312591 524141749 /nfs/dbraw/zinc/14/17/49/524141749.db2.gz BAJSRVRJGLPSLI-DLYSWHJUSA-N 0 0 425.554 4.405 50 0 IIAARN Cc1cccc(-n2nc(C(=O)NCCOc3ccccc3)nc2CCc2ccccc2)c1 ZINC000034911773 524146450 /nfs/dbraw/zinc/14/64/50/524146450.db2.gz VZKLGSMJULHORM-UHFFFAOYSA-N 0 0 426.520 4.170 50 0 IIAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 ZINC000021800858 524152509 /nfs/dbraw/zinc/15/25/09/524152509.db2.gz UOFFLZRTSZPPFX-UHFFFAOYSA-N 0 0 446.511 4.312 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000035312595 524170828 /nfs/dbraw/zinc/17/08/28/524170828.db2.gz BAJSRVRJGLPSLI-YAEBDLLGSA-N 0 0 425.554 4.405 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1F ZINC000035538488 524170892 /nfs/dbraw/zinc/17/08/92/524170892.db2.gz OGOCSVNBYTVUKT-JIZVJVNCSA-N 0 0 437.515 4.483 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036060319 524179814 /nfs/dbraw/zinc/17/98/14/524179814.db2.gz FKIBIBXDHXWGQS-FGZHOGPDSA-N 0 0 426.944 4.217 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045740 524180732 /nfs/dbraw/zinc/18/07/32/524180732.db2.gz CDSVYKVSHISWNH-JWQCQUIFSA-N 0 0 428.532 4.176 50 0 IIAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060412 524181662 /nfs/dbraw/zinc/18/16/62/524181662.db2.gz RMUKMXWYKOMRIL-DNQXCXABSA-N 0 0 446.522 4.349 50 0 IIAARN Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)c1 ZINC000012462731 524207711 /nfs/dbraw/zinc/20/77/11/524207711.db2.gz MRDVGTQAXIHRRA-QFIPXVFZSA-N 0 0 441.409 4.066 50 0 IIAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4nc5ccccc5n4C)CC3)cc2)c1 ZINC000020591825 524218684 /nfs/dbraw/zinc/21/86/84/524218684.db2.gz PWVAMWVPHJPJBU-UHFFFAOYSA-N 0 0 439.563 4.456 50 0 IIAARN C[C@H]1CCN(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c2ccccc2S1 ZINC000012569234 524244271 /nfs/dbraw/zinc/24/42/71/524244271.db2.gz PNNNMTJPSDJCTB-ZDUSSCGKSA-N 0 0 444.358 4.020 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012198030 524250536 /nfs/dbraw/zinc/25/05/36/524250536.db2.gz CGQIGGKKNDUGOE-HXUWFJFHSA-N 0 0 444.380 4.008 50 0 IIAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)Nc4ccccc4)c3c2=O)cc1 ZINC000035399683 524264431 /nfs/dbraw/zinc/26/44/31/524264431.db2.gz FLJKDROCSPGNSJ-UHFFFAOYSA-N 0 0 438.487 4.047 50 0 IIAARN Cc1ccc(CC(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2C(=O)[O-])cc1 ZINC000035422715 524276766 /nfs/dbraw/zinc/27/67/66/524276766.db2.gz NDCOVLNSPFXWLX-UHFFFAOYSA-N 0 0 435.568 4.329 50 0 IIAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 ZINC000012854177 524284228 /nfs/dbraw/zinc/28/42/28/524284228.db2.gz HEWATQGLKJNKFC-UHFFFAOYSA-N 0 0 440.544 4.383 50 0 IIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccc(C)c(F)c1 ZINC000012561330 524348162 /nfs/dbraw/zinc/34/81/62/524348162.db2.gz COSJBHPUTGAZPW-UHFFFAOYSA-N 0 0 427.501 4.085 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035927341 524358042 /nfs/dbraw/zinc/35/80/42/524358042.db2.gz IFDCYJFAXMSAFM-XMMPIXPASA-N 0 0 448.500 4.455 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(Cc1ccc(F)cc1)C(=O)[C@@H](C)O2 ZINC000035884122 524359030 /nfs/dbraw/zinc/35/90/30/524359030.db2.gz BEPOVYMDYQJDNK-MRXNPFEDSA-N 0 0 434.467 4.396 50 0 IIAARN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000020618560 524387171 /nfs/dbraw/zinc/38/71/71/524387171.db2.gz HLHMFGZZUKNHLP-GFCCVEGCSA-N 0 0 441.431 4.153 50 0 IIAARN Cc1cc(C)cc(N(Cc2ccc(F)cc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000021167095 524410171 /nfs/dbraw/zinc/41/01/71/524410171.db2.gz GBPZWEAFRYVDEE-RBUKOAKNSA-N 0 0 438.977 4.371 50 0 IIAARN C[C@H]1CCc2c(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)csc2C1 ZINC000009539844 524435375 /nfs/dbraw/zinc/43/53/75/524435375.db2.gz RILBJJAXJYIYFP-AWEZNQCLSA-N 0 0 430.551 4.197 50 0 IIAARN Cc1cccc(CSCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 ZINC000012507832 524458082 /nfs/dbraw/zinc/45/80/82/524458082.db2.gz PXWKTIOSTPONLD-UHFFFAOYSA-N 0 0 447.607 4.362 50 0 IIAARN COc1ccccc1CNC(=O)COc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000033012376 524465382 /nfs/dbraw/zinc/46/53/82/524465382.db2.gz LOZPDPFGNJZCLM-UHFFFAOYSA-N 0 0 429.476 4.416 50 0 IIAARN COc1ccccc1CNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@H](C)CC3 ZINC000020385535 524471931 /nfs/dbraw/zinc/47/19/31/524471931.db2.gz MWGQOVXOZMPURZ-CYBMUJFWSA-N 0 0 426.542 4.069 50 0 IIAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)c2)n1 ZINC000012431314 524490450 /nfs/dbraw/zinc/49/04/50/524490450.db2.gz RKEOSYOBOPWSKZ-JOCHJYFZSA-N 0 0 448.542 4.025 50 0 IIAARN Cc1cccc(Cn2cnc3c2c(=O)n(Cc2ccco2)c(=O)n3-c2ccc(Cl)cc2)c1 ZINC000034693139 524495989 /nfs/dbraw/zinc/49/59/89/524495989.db2.gz DBUDQJYAIZCIBQ-UHFFFAOYSA-N 0 0 446.894 4.000 50 0 IIAARN COc1ccccc1N1C(=S)N[C@H](c2ccc(OC(F)F)cc2)C(C(=O)N(C)C)=C1C ZINC000012557349 524535775 /nfs/dbraw/zinc/53/57/75/524535775.db2.gz XCPUEDOHKNAQPG-LJQANCHMSA-N 0 0 447.507 4.095 50 0 IIAARN Cc1cccc(N2CCN(C(=O)COc3ccc4c(C)c(C)c(=O)oc4c3C)CC2)c1C ZINC000009253898 524545373 /nfs/dbraw/zinc/54/53/73/524545373.db2.gz OFCGLMYSBNSGGB-UHFFFAOYSA-N 0 0 434.536 4.063 50 0 IIAARN COc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1=O ZINC000012522315 524578602 /nfs/dbraw/zinc/57/86/02/524578602.db2.gz LFAITIWIVZEKAO-HNNXBMFYSA-N 0 0 447.457 4.306 50 0 IIAARN C[C@@H](CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021861890 524587739 /nfs/dbraw/zinc/58/77/39/524587739.db2.gz OOFQGISFLCPIRL-QYBDOPJKSA-N 0 0 430.552 4.113 50 0 IIAARN COc1ccccc1NC(=O)CCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000012390689 524588630 /nfs/dbraw/zinc/58/86/30/524588630.db2.gz OAEBVANYJUGSEX-UHFFFAOYSA-N 0 0 440.931 4.317 50 0 IIAARN Cc1cccc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c1C ZINC000020854712 524599014 /nfs/dbraw/zinc/59/90/14/524599014.db2.gz FRXXXFRFRHZNSF-RTWAWAEBSA-N 0 0 434.536 4.181 50 0 IIAARN COc1ccccc1NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012801002 524601351 /nfs/dbraw/zinc/60/13/51/524601351.db2.gz YKHLUXKSXIKJBW-HXUWFJFHSA-N 0 0 444.940 4.397 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)c1 ZINC000017135342 524602832 /nfs/dbraw/zinc/60/28/32/524602832.db2.gz WTTDYTRDSFEAPN-UHFFFAOYSA-N 0 0 437.590 4.173 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl ZINC000012078513 524612127 /nfs/dbraw/zinc/61/21/27/524612127.db2.gz JSCOMFZYJZXCEL-QGZVFWFLSA-N 0 0 445.972 4.103 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)cc1Cl ZINC000020723942 524613334 /nfs/dbraw/zinc/61/33/34/524613334.db2.gz YFGMNHBDMYLCKK-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1OC ZINC000035398126 524614974 /nfs/dbraw/zinc/61/49/74/524614974.db2.gz LYGXYIHEGIWXEH-IBGZPJMESA-N 0 0 432.524 4.324 50 0 IIAARN COc1ccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc32)cc1Cl ZINC000020768682 524654705 /nfs/dbraw/zinc/65/47/05/524654705.db2.gz VIQPLCQPQORBKE-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000017524754 524668477 /nfs/dbraw/zinc/66/84/77/524668477.db2.gz LHGQOYWCEXZKMV-UHFFFAOYSA-N 0 0 436.537 4.087 50 0 IIAARN C[C@H]1CN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000012419743 524681216 /nfs/dbraw/zinc/68/12/16/524681216.db2.gz MXRFIDMVBOLKMP-KBPBESRZSA-N 0 0 434.464 4.066 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)cc1 ZINC000012556970 524695631 /nfs/dbraw/zinc/69/56/31/524695631.db2.gz OZSWJIMMWVPKEA-UHFFFAOYSA-N 0 0 448.447 4.350 50 0 IIAARN Cc1cc(CN2CCN([C@H](C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3)CC2)no1 ZINC000022799422 524695802 /nfs/dbraw/zinc/69/58/02/524695802.db2.gz QOKGHFCSLJGOAN-QHCPKHFHSA-N 0 0 438.959 4.442 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)cc1 ZINC000012561153 524696020 /nfs/dbraw/zinc/69/60/20/524696020.db2.gz IYHZNBYBPWEXBA-HNNXBMFYSA-N 0 0 442.562 4.317 50 0 IIAARN Cc1cc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)ccc1F ZINC000012639334 524747225 /nfs/dbraw/zinc/74/72/25/524747225.db2.gz DESNYYBSZVCDRK-UHFFFAOYSA-N 0 0 449.935 4.199 50 0 IIAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)C1CCC1 ZINC000035948468 524807986 /nfs/dbraw/zinc/80/79/86/524807986.db2.gz VOOSQEHUQWLDTN-OAQYLSRUSA-N 0 0 439.943 4.285 50 0 IIAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012876343 524817114 /nfs/dbraw/zinc/81/71/14/524817114.db2.gz LERKZOXVLQGUEF-HRFSGMKKSA-N 0 0 445.563 4.254 50 0 biogenic IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(-c3ccoc3C)o2)c1 ZINC000018401441 524912970 /nfs/dbraw/zinc/91/29/70/524912970.db2.gz TWYBMRHPHYJBPK-QGZVFWFLSA-N 0 0 429.498 4.111 50 0 IIAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000248083396 524928691 /nfs/dbraw/zinc/92/86/91/524928691.db2.gz DOEDEFKGCVGNNU-ROHNOIKCSA-N 0 0 434.495 4.268 50 0 IIAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000020477494 524929389 /nfs/dbraw/zinc/92/93/89/524929389.db2.gz FGLYMLHCRSZOMT-BJESRGMDSA-N 0 0 440.524 4.455 50 0 IIAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000021861178 524932832 /nfs/dbraw/zinc/93/28/32/524932832.db2.gz KKTNXAYWVIUACE-YMJPAYASSA-N 0 0 430.552 4.459 50 0 IIAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000012854323 524948999 /nfs/dbraw/zinc/94/89/99/524948999.db2.gz VFSZQMNPZISNEQ-FPTDNZKUSA-N 0 0 448.350 4.114 50 0 IIAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000012539612 524962867 /nfs/dbraw/zinc/96/28/67/524962867.db2.gz YYSHNVRTPJVDLA-UHFFFAOYSA-N 0 0 425.554 4.229 50 0 IIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012522842 524990816 /nfs/dbraw/zinc/99/08/16/524990816.db2.gz PIHXOFRVGKJDOK-AWEZNQCLSA-N 0 0 443.956 4.413 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2)cc1 ZINC000002979577 525012416 /nfs/dbraw/zinc/01/24/16/525012416.db2.gz MUIQHUHIOWWBLN-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1ccccc1-c1nnc(SCc2noc(CCC(=O)Nc3ccccc3F)n2)o1 ZINC000021721537 525016439 /nfs/dbraw/zinc/01/64/39/525016439.db2.gz HKCFTZFMWUGRHZ-UHFFFAOYSA-N 0 0 439.472 4.431 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012796469 525025123 /nfs/dbraw/zinc/02/51/23/525025123.db2.gz ZWIIKXNZNGGDPL-UHFFFAOYSA-N 0 0 432.586 4.025 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1OC ZINC000021357222 525090400 /nfs/dbraw/zinc/09/04/00/525090400.db2.gz FTWOOVMCEZQYSZ-UHFFFAOYSA-N 0 0 437.521 4.166 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)c2ccncc2)cc1 ZINC000012408731 525092673 /nfs/dbraw/zinc/09/26/73/525092673.db2.gz QPPMVHFTAKWLIL-UHFFFAOYSA-N 0 0 441.553 4.250 50 0 IIAARN C[C@@H](NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2)C12CC3CC(CC(C3)C1)C2 ZINC000012631888 525114948 /nfs/dbraw/zinc/11/49/48/525114948.db2.gz AQXCDNTZIPKZHE-KRGUIMPISA-N 0 0 441.568 4.043 50 0 IIAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)n(-c2cc(C)ccc2C)n1 ZINC000012760834 525132472 /nfs/dbraw/zinc/13/24/72/525132472.db2.gz JYCMKYOTMXPUNA-UHFFFAOYSA-N 0 0 447.583 4.232 50 0 IIAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 ZINC000012763928 525141542 /nfs/dbraw/zinc/14/15/42/525141542.db2.gz RSXDZHOHJLTNKX-UHFFFAOYSA-N 0 0 438.336 4.035 50 0 IIAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1=O ZINC000015843046 525164392 /nfs/dbraw/zinc/16/43/92/525164392.db2.gz XLIKWGJWSQFTFZ-MRXNPFEDSA-N 0 0 436.489 4.044 50 0 IIAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21 ZINC000012862951 525186168 /nfs/dbraw/zinc/18/61/68/525186168.db2.gz JQEDNASDBSIIKN-UHFFFAOYSA-N 0 0 433.942 4.038 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCC2)CN2Cc3ccccc3C[C@@H]2C(=O)N1Cc1ccccc1 ZINC000020918007 525199941 /nfs/dbraw/zinc/19/99/41/525199941.db2.gz KXMVKSYJZBRDKK-LEAFIULHSA-N 0 0 445.607 4.053 50 0 IIAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 ZINC000035405713 525210550 /nfs/dbraw/zinc/21/05/50/525210550.db2.gz CIZMSXPWXKQPHD-HSZRJFAPSA-N 0 0 437.496 4.166 50 0 IIAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccncc1 ZINC000012548452 525220308 /nfs/dbraw/zinc/22/03/08/525220308.db2.gz RRDVOUWVJSAENI-AWEZNQCLSA-N 0 0 449.454 4.392 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000012769857 525221971 /nfs/dbraw/zinc/22/19/71/525221971.db2.gz GLVBIGJEUIRNLI-LBPRGKRZSA-N 0 0 427.353 4.197 50 0 IIAARN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc1 ZINC000012799147 525241145 /nfs/dbraw/zinc/24/11/45/525241145.db2.gz IKNYFNPALUFTKQ-UHFFFAOYSA-N 0 0 426.563 4.272 50 0 IIAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc21 ZINC000021598970 525293275 /nfs/dbraw/zinc/29/32/75/525293275.db2.gz VDNGVVYJVJMUJI-AEFFLSMTSA-N 0 0 428.579 4.179 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c(Br)c1 ZINC000015730726 525305736 /nfs/dbraw/zinc/30/57/36/525305736.db2.gz DVROKKOQLNGHSR-NSHDSACASA-N 0 0 441.372 4.239 50 0 IIAARN C[C@@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccc(F)cc1 ZINC000012513664 525313524 /nfs/dbraw/zinc/31/35/24/525313524.db2.gz CLTCYZLSJFDGNV-CYBMUJFWSA-N 0 0 449.935 4.451 50 0 IIAARN Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000017146439 525327143 /nfs/dbraw/zinc/32/71/43/525327143.db2.gz XRULNHKVZLXAKX-PDIWNELESA-N 0 0 444.553 4.332 50 0 IIAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000022471836 525357018 /nfs/dbraw/zinc/35/70/18/525357018.db2.gz YBGNTFYDEQNAJI-CYBMUJFWSA-N 0 0 445.397 4.308 50 0 IIAARN CSCCC(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000011880661 525367211 /nfs/dbraw/zinc/36/72/11/525367211.db2.gz XGPQTDVSMPSVCZ-QFIPXVFZSA-N 0 0 432.605 4.297 50 0 IIAARN C[C@@H](NC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1)c1cnn(-c2ccccc2)c1 ZINC000012716964 525369189 /nfs/dbraw/zinc/36/91/89/525369189.db2.gz LLMWUHXVLZYVBW-OAHLLOKOSA-N 0 0 440.429 4.022 50 0 IIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000001071019 525395142 /nfs/dbraw/zinc/39/51/42/525395142.db2.gz QNOZTPUQRKFVDX-UHFFFAOYSA-N 0 0 435.549 4.036 50 0 IIAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036041645 525422964 /nfs/dbraw/zinc/42/29/64/525422964.db2.gz YSWKZMDQCMKQAG-DNQXCXABSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000012615435 525442093 /nfs/dbraw/zinc/44/20/93/525442093.db2.gz ZOHTYVYHPKLTOZ-LIRRHRJNSA-N 0 0 434.521 4.481 50 0 IIAARN Cc1ccc(OCc2cc(C(=O)N3CCC([C@H](O)Cc4ccccc4)CC3)no2)cc1C ZINC000012210029 525443287 /nfs/dbraw/zinc/44/32/87/525443287.db2.gz MVMMWKJLAZKVNG-RUZDIDTESA-N 0 0 434.536 4.326 50 0 IIAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000021807026 525447304 /nfs/dbraw/zinc/44/73/04/525447304.db2.gz MQYALEVKVXZNTB-UHFFFAOYSA-N 0 0 442.306 4.188 50 0 IIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000021444192 525466925 /nfs/dbraw/zinc/46/69/25/525466925.db2.gz DIYKFPJRNYMHAU-UHFFFAOYSA-N 0 0 448.548 4.249 50 0 IIAARN Cc1ccc(Oc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)cc2)cc1 ZINC000012757115 525475783 /nfs/dbraw/zinc/47/57/83/525475783.db2.gz YQWWRRWWOPYKPL-HSZRJFAPSA-N 0 0 436.533 4.112 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3F)C3CC3)CC2)c(C)c1 ZINC000012926951 525518749 /nfs/dbraw/zinc/51/87/49/525518749.db2.gz CDOZTZXAWRQETL-UHFFFAOYSA-N 0 0 444.572 4.034 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc2N1S(C)(=O)=O ZINC000012771719 525519892 /nfs/dbraw/zinc/51/98/92/525519892.db2.gz VSJMZUJXXUATKK-GFCCVEGCSA-N 0 0 447.969 4.426 50 0 IIAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc(N4CCOCC4)nc3)c2oc1-c1ccccc1 ZINC000022994802 525524764 /nfs/dbraw/zinc/52/47/64/525524764.db2.gz JRSWRHQCBCIUDL-UHFFFAOYSA-N 0 0 441.487 4.252 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000012611813 525525408 /nfs/dbraw/zinc/52/54/08/525525408.db2.gz SODHNZOEJUCMPQ-IBGZPJMESA-N 0 0 428.598 4.469 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000012678941 525526358 /nfs/dbraw/zinc/52/63/58/525526358.db2.gz IVHPJMXMENJIGN-HXUWFJFHSA-N 0 0 447.626 4.007 50 0 IIAARN CSCC[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012534952 525548096 /nfs/dbraw/zinc/54/80/96/525548096.db2.gz CCUXFOLNJHCLME-LJQANCHMSA-N 0 0 444.988 4.337 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)c1cccn1-2 ZINC000035399354 525552681 /nfs/dbraw/zinc/55/26/81/525552681.db2.gz HRJOIYGYJUINIY-UHFFFAOYSA-N 0 0 449.985 4.306 50 0 biogenic IIAARN Cc1cc2c(cc1F)n(CC(=O)Nc1ccccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535378 525605237 /nfs/dbraw/zinc/60/52/37/525605237.db2.gz OFBAMCWYGGZMLQ-UHFFFAOYSA-N 0 0 429.451 4.022 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(Cl)c4)CC3)[nH]c2c1 ZINC000035561962 525620629 /nfs/dbraw/zinc/62/06/29/525620629.db2.gz GVDPFDOGNJAKCH-UHFFFAOYSA-N 0 0 439.943 4.389 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCn2ccnc2)cc1 ZINC000012419660 525633457 /nfs/dbraw/zinc/63/34/57/525633457.db2.gz CFPWOISZLJQAFR-UHFFFAOYSA-N 0 0 428.539 4.243 50 0 IIAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cccc(Cl)c4)c3)cn2n1 ZINC000012441349 525655445 /nfs/dbraw/zinc/65/54/45/525655445.db2.gz JYINRYNLOFCDIF-UHFFFAOYSA-N 0 0 428.901 4.168 50 0 IIAARN COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000012441310 525656522 /nfs/dbraw/zinc/65/65/22/525656522.db2.gz KBCLXIZUNLTUKL-UHFFFAOYSA-N 0 0 430.489 4.359 50 0 IIAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)/C=C/c3ccccc3)cc(=O)n2o1 ZINC000041077218 525672655 /nfs/dbraw/zinc/67/26/55/525672655.db2.gz PPWUHURXLKJJDB-JXMROGBWSA-N 0 0 435.867 4.480 50 0 IIAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)[C@H](C)Oc3cccc(C)c3)cc(=O)n2o1 ZINC000035378677 525672691 /nfs/dbraw/zinc/67/26/91/525672691.db2.gz QXOAVHUUSZBLBH-SFHVURJKSA-N 0 0 447.491 4.198 50 0 IIAARN Cc1cc2nc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc(=O)n2o1 ZINC000041085670 525673662 /nfs/dbraw/zinc/67/36/62/525673662.db2.gz KZYJPXSOXSHCGQ-UHFFFAOYSA-N 0 0 433.508 4.330 50 0 IIAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4cccc(Cl)c4)s3)cc(=O)n2o1 ZINC000035429578 525676201 /nfs/dbraw/zinc/67/62/01/525676201.db2.gz QQDOCVOHWCUVLX-UHFFFAOYSA-N 0 0 448.917 4.037 50 0 IIAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)[C@@H]2CCCO2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012406811 525687181 /nfs/dbraw/zinc/68/71/81/525687181.db2.gz DCKRHUOUIACZTI-FQEVSTJZSA-N 0 0 442.537 4.005 50 0 IIAARN Cc1cc2occ(CC(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)c2cc1C ZINC000012802251 525695495 /nfs/dbraw/zinc/69/54/95/525695495.db2.gz JHOJITFBHQLQJQ-MTJSOVHGSA-N 0 0 434.517 4.445 50 0 IIAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccc(C)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020890474 525711773 /nfs/dbraw/zinc/71/17/73/525711773.db2.gz QRWUTLFLLLJEEQ-DEOSSOPVSA-N 0 0 443.547 4.177 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907590 525761285 /nfs/dbraw/zinc/76/12/85/525761285.db2.gz YJONWIOSBZROPQ-NRFANRHFSA-N 0 0 437.927 4.096 50 0 IIAARN COc1cccc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)c1 ZINC000011909445 525792651 /nfs/dbraw/zinc/79/26/51/525792651.db2.gz RULLZIXARLUAEW-NRFANRHFSA-N 0 0 432.520 4.348 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000035982576 525833174 /nfs/dbraw/zinc/83/31/74/525833174.db2.gz CIRMXDIICDADJC-XEZPLFJOSA-N 0 0 436.426 4.163 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1OC ZINC000021794177 525833578 /nfs/dbraw/zinc/83/35/78/525833578.db2.gz UWZQEZJFALFBSH-UHFFFAOYSA-N 0 0 433.512 4.398 50 0 IIAARN Cc1ccsc1CN(C)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 ZINC000012338249 525839546 /nfs/dbraw/zinc/83/95/46/525839546.db2.gz ZGJAZCYJZWJMDX-GOSISDBHSA-N 0 0 429.615 4.146 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962161 525856688 /nfs/dbraw/zinc/85/66/88/525856688.db2.gz QQWVJXCQSQJXHQ-JOCHJYFZSA-N 0 0 439.943 4.285 50 0 IIAARN 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Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCCC1=CCCCC1)nc2C ZINC000020563857 525934626 /nfs/dbraw/zinc/93/46/26/525934626.db2.gz KVMWRHXPIIXUTQ-UHFFFAOYSA-N 0 0 447.583 4.294 50 0 IIAARN COc1cccc(CNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000035562020 525965286 /nfs/dbraw/zinc/96/52/86/525965286.db2.gz LDYNZIWTGDKBDQ-UHFFFAOYSA-N 0 0 439.943 4.389 50 0 IIAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000012767861 525972355 /nfs/dbraw/zinc/97/23/55/525972355.db2.gz VBTSIWMYNOFZDH-UHFFFAOYSA-N 0 0 425.916 4.100 50 0 IIAARN CSc1ccc(CC(=O)N2CCC3(C[C@@H]3C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000012162734 525983178 /nfs/dbraw/zinc/98/31/78/525983178.db2.gz LVIMIMINSXZSHS-GOSISDBHSA-N 0 0 430.520 4.497 50 0 IIAARN CSc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000012507826 525986014 /nfs/dbraw/zinc/98/60/14/525986014.db2.gz ITUCIDUYISJHPS-UHFFFAOYSA-N 0 0 426.563 4.482 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)c1 ZINC000022483157 525995819 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4.104 50 0 IIAARN COc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863621 526141690 /nfs/dbraw/zinc/14/16/90/526141690.db2.gz ANKXTTKWCPUNBJ-RUZDIDTESA-N 0 0 433.508 4.235 50 0 IIAARN Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000002150142 526146375 /nfs/dbraw/zinc/14/63/75/526146375.db2.gz VYRMQTOFXGLTRN-IBGZPJMESA-N 0 0 437.492 4.451 50 0 biogenic IIAARN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936621 526156572 /nfs/dbraw/zinc/15/65/72/526156572.db2.gz ACVGVOMRQPMORK-CQSZACIVSA-N 0 0 426.870 4.293 50 0 IIAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012745351 526161059 /nfs/dbraw/zinc/16/10/59/526161059.db2.gz BLMGCAXSIOWSGW-HNNXBMFYSA-N 0 0 430.430 4.274 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012878524 526169803 /nfs/dbraw/zinc/16/98/03/526169803.db2.gz WSPGQGSTNJPVOH-UHFFFAOYSA-N 0 0 442.313 4.100 50 0 IIAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012913268 526176757 /nfs/dbraw/zinc/17/67/57/526176757.db2.gz ONHKFYKOVFBFCW-QFBILLFUSA-N 0 0 437.565 4.424 50 0 IIAARN Cc1cc(Br)oc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000065474684 526176750 /nfs/dbraw/zinc/17/67/50/526176750.db2.gz KHSCLEPHZNRHKJ-UHFFFAOYSA-N 0 0 448.180 4.133 50 0 IIAARN COc1cccc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000020561022 526181985 /nfs/dbraw/zinc/18/19/85/526181985.db2.gz GDAYFEDVUITMIF-JOCHJYFZSA-N 0 0 446.503 4.438 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113467 526188540 /nfs/dbraw/zinc/18/85/40/526188540.db2.gz SAKQURCNTOQVID-OAHLLOKOSA-N 0 0 437.525 4.211 50 0 IIAARN COc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021156857 526195263 /nfs/dbraw/zinc/19/52/63/526195263.db2.gz LPOXUSSRGPLHNN-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1cccc(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2Cc2ccccc2)c1 ZINC000012421539 526201337 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IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012876974 526287966 /nfs/dbraw/zinc/28/79/66/526287966.db2.gz PYZAIKXHEQNJGG-NCUBBLFSSA-N 0 0 430.508 4.228 50 0 IIAARN Cc1csc(-c2csc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)n1 ZINC000033297598 526305562 /nfs/dbraw/zinc/30/55/62/526305562.db2.gz QSQPXPOVCIUQDJ-UHFFFAOYSA-N 0 0 440.015 4.344 50 0 IIAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022366927 526306630 /nfs/dbraw/zinc/30/66/30/526306630.db2.gz ZYHHEUUEEOCRJJ-UHFFFAOYSA-N 0 0 440.590 4.382 50 0 IIAARN Fc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccccc3Cl)C4)CC2)cc1 ZINC000021640399 526352337 /nfs/dbraw/zinc/35/23/37/526352337.db2.gz LJSSXUNNSBRVGV-UHFFFAOYSA-N 0 0 437.950 4.154 50 0 IIAARN Cc1nnc(SCC(=O)N2CCCc3ccccc32)c2c1cnn2-c1ccc(F)cc1 ZINC000023137657 526378016 /nfs/dbraw/zinc/37/80/16/526378016.db2.gz VOZKLSOMZPLJOO-UHFFFAOYSA-N 0 0 433.512 4.335 50 0 IIAARN O=C(CCC1CCN(C(=O)[C@H]2CC23CCCCC3)CC1)N1CCN(c2ccccc2)CC1 ZINC000012320866 526408975 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ZINC000015670139 527574302 /nfs/dbraw/zinc/57/43/02/527574302.db2.gz VZHSCSJKLQPAGB-INIZCTEOSA-N 0 0 432.434 4.093 50 0 IIAARN OCCn1c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccc(Cl)cc21 ZINC000012547597 527576044 /nfs/dbraw/zinc/57/60/44/527576044.db2.gz VRKHXTPKZNGSDM-UHFFFAOYSA-N 0 0 425.945 4.432 50 0 IIAARN Cn1ncc2c1nc(N1CCN(c3cccc(Cl)c3)CC1)nc2Nc1ccc(F)cc1 ZINC000021873636 527583572 /nfs/dbraw/zinc/58/35/72/527583572.db2.gz USSIKOBWMUSMIM-UHFFFAOYSA-N 0 0 437.910 4.226 50 0 IIAARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OC(F)F)cc2)c2c(C)nn(C)c2n1 ZINC000020606495 527600894 /nfs/dbraw/zinc/60/08/94/527600894.db2.gz MWMUXJZTHQCRMZ-UHFFFAOYSA-N 0 0 440.454 4.148 50 0 IIAARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012817757 527605943 /nfs/dbraw/zinc/60/59/43/527605943.db2.gz JZMWZUXBIZFFTH-UHFFFAOYSA-N 0 0 433.401 4.091 50 0 IIAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000011937462 527618591 /nfs/dbraw/zinc/61/85/91/527618591.db2.gz HAFZRFLOKBKDGV-DEOSSOPVSA-N 0 0 441.575 4.201 50 0 IIAARN O=C(/C=C/c1cccc2cccnc12)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012742281 527628549 /nfs/dbraw/zinc/62/85/49/527628549.db2.gz FESFGOCJXOZDOO-ZHACJKMWSA-N 0 0 427.460 4.105 50 0 IIAARN O=C(/C=C\c1ccc(Br)o1)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000034870969 527655233 /nfs/dbraw/zinc/65/52/33/527655233.db2.gz IPUWCUZICXWSAE-VURMDHGXSA-N 0 0 434.164 4.136 50 0 IIAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000020734950 527656415 /nfs/dbraw/zinc/65/64/15/527656415.db2.gz VHGRUYZLXPRBTO-RUZDIDTESA-N 0 0 426.520 4.173 50 0 IIAARN FC(F)(F)Oc1ccc(-n2nnnc2SCc2cn3cc(Cl)ccc3n2)cc1 ZINC000022263121 527675817 /nfs/dbraw/zinc/67/58/17/527675817.db2.gz XFXFODLHVPBYPW-UHFFFAOYSA-N 0 0 426.811 4.154 50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(Cc4ccccc4F)CC3)c12 ZINC000012917783 527682532 /nfs/dbraw/zinc/68/25/32/527682532.db2.gz HZZNBCKQAFCFMW-UHFFFAOYSA-N 0 0 443.526 4.041 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H](C)Cn3ccc(C(F)(F)F)n3)c12 ZINC000036616614 527682803 /nfs/dbraw/zinc/68/28/03/527682803.db2.gz QSLOOADKAIUVCO-LLVKDONJSA-N 0 0 448.474 4.039 50 0 IIAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cc(Cl)ccc1C ZINC000009530286 535003976 /nfs/dbraw/zinc/00/39/76/535003976.db2.gz VVTKPOYCUGWKPO-UHFFFAOYSA-N 0 0 437.974 4.295 50 0 IIAARN CC1CCN(c2ccc(NC(=O)CSc3nnc(Cc4cccs4)n3C)cc2)CC1 ZINC000009723745 535286430 /nfs/dbraw/zinc/28/64/30/535286430.db2.gz RVLPONHEDCEHKQ-UHFFFAOYSA-N 0 0 441.626 4.435 50 0 IIAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)cc1 ZINC000013657985 535692200 /nfs/dbraw/zinc/69/22/00/535692200.db2.gz YRDBOEPMZVRSJP-UHFFFAOYSA-N 0 0 439.519 4.053 50 0 IIAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)nn2)cc1 ZINC000013664602 535692329 /nfs/dbraw/zinc/69/23/29/535692329.db2.gz VANGBYGCMDYEQD-UHFFFAOYSA-N 0 0 435.503 4.344 50 0 IIAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1C[C@H]1CCCO1 ZINC000009120322 555509269 /nfs/dbraw/zinc/50/92/69/555509269.db2.gz DTZSJCZTSVMHGF-IQIBNGDESA-N 0 0 436.302 4.079 50 0 IIAARN O=C1OCc2c1c(Br)c(Br)c(Br)c2Br ZINC000000622828 555511141 /nfs/dbraw/zinc/51/11/41/555511141.db2.gz VJPFNMREYDOHSR-UHFFFAOYSA-N 0 0 449.718 4.407 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000000627929 555513489 /nfs/dbraw/zinc/51/34/89/555513489.db2.gz YGNLCSZRCIQTFD-MRXNPFEDSA-N 0 0 433.888 4.240 50 0 IIAARN COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000000630829 555514852 /nfs/dbraw/zinc/51/48/52/555514852.db2.gz PNTADTZUHJBPPW-UHFFFAOYSA-N 0 0 430.913 4.079 50 0 IIAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000000634521 555516403 /nfs/dbraw/zinc/51/64/03/555516403.db2.gz GSJYHJAQOAOALX-OAQYLSRUSA-N 0 0 435.476 4.282 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2Cl)n2nc(-c3cccnc3)nc2N1 ZINC000000645584 555520413 /nfs/dbraw/zinc/52/04/13/555520413.db2.gz KUQLIVXHKIBMRB-HXUWFJFHSA-N 0 0 443.898 4.316 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(CC)cc1Br)CCCCC2 ZINC000000648601 555521914 /nfs/dbraw/zinc/52/19/14/555521914.db2.gz QYKNYORXMYNCKF-UHFFFAOYSA-N 0 0 440.363 4.425 50 0 IIAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C ZINC000000649937 555522450 /nfs/dbraw/zinc/52/24/50/555522450.db2.gz ARJAVADOWRNTLE-UHFFFAOYSA-N 0 0 425.558 4.037 50 0 IIAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1C(N)=O ZINC000000669300 555530218 /nfs/dbraw/zinc/53/02/18/555530218.db2.gz RHKZYIZRHUGGRC-LBPRGKRZSA-N 0 0 438.933 4.088 50 0 IIAARN CC(=O)Oc1ccc([C@@]2(C)CC(C)(C)Oc3cc(OC(C)=O)ccc32)c(OC(C)=O)c1 ZINC000000675745 555534621 /nfs/dbraw/zinc/53/46/21/555534621.db2.gz XNHDPJUIDZMLNF-XMMPIXPASA-N 0 0 426.465 4.330 50 0 IIAARN Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000000679540 555536875 /nfs/dbraw/zinc/53/68/75/555536875.db2.gz ZZQZTTMDVLNVSZ-UHFFFAOYSA-N 0 0 432.343 4.440 50 0 IIAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1O ZINC000000683402 555538698 /nfs/dbraw/zinc/53/86/98/555538698.db2.gz XQCRPNDTKVSZMJ-MRXNPFEDSA-N 0 0 447.314 4.240 50 0 IIAARN COc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1O ZINC000000683401 555538732 /nfs/dbraw/zinc/53/87/32/555538732.db2.gz XQCRPNDTKVSZMJ-INIZCTEOSA-N 0 0 447.314 4.240 50 0 IIAARN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)c1 ZINC000000708083 555545749 /nfs/dbraw/zinc/54/57/49/555545749.db2.gz NLIPJTYNAKUCKG-QDBPJBAASA-N 0 0 435.479 4.029 50 0 IIAARN COc1ccc([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1Br ZINC000000713032 555547781 /nfs/dbraw/zinc/54/77/81/555547781.db2.gz MVJLDJBZDAMZEY-LJQANCHMSA-N 0 0 446.322 4.452 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000000726742 555551585 /nfs/dbraw/zinc/55/15/85/555551585.db2.gz YFQAUBQTPQTXAT-UHFFFAOYSA-N 0 0 449.414 4.141 50 0 IIAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1[C@@H](C(=O)OC)CC2 ZINC000000729913 555552844 /nfs/dbraw/zinc/55/28/44/555552844.db2.gz ADJLUGLZZSPSOZ-JTQLQIEISA-N 0 0 428.293 4.297 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000000793028 555557335 /nfs/dbraw/zinc/55/73/35/555557335.db2.gz STSKRLUGBFLKTR-UHFFFAOYSA-N 0 0 434.945 4.360 50 0 IIAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)nc2n1 ZINC000000815191 555561411 /nfs/dbraw/zinc/56/14/11/555561411.db2.gz OHLCUHAXUSHEMQ-UHFFFAOYSA-N 0 0 449.483 4.128 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1ccccc1OC ZINC000000815756 555562055 /nfs/dbraw/zinc/56/20/55/555562055.db2.gz RYMIWNYZMBHTMA-UHFFFAOYSA-N 0 0 430.526 4.167 50 0 IIAARN COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000816112 555562491 /nfs/dbraw/zinc/56/24/91/555562491.db2.gz RHXYUJQZKIAQJZ-ZEQRLZLVSA-N 0 0 437.467 4.383 50 0 IIAARN O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000000817629 555563163 /nfs/dbraw/zinc/56/31/63/555563163.db2.gz UVHFPRRBBHMLTO-UHFFFAOYSA-N 0 0 430.435 4.057 50 0 IIAARN CC(C)NC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827047 555565499 /nfs/dbraw/zinc/56/54/99/555565499.db2.gz CQTVHXQGMIMDJP-UHFFFAOYSA-N 0 0 433.253 4.377 50 0 IIAARN COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000837159 555567340 /nfs/dbraw/zinc/56/73/40/555567340.db2.gz UYSQPAVQUHKJGG-UHFFFAOYSA-N 0 0 449.459 4.004 50 0 IIAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000000845161 555568984 /nfs/dbraw/zinc/56/89/84/555568984.db2.gz VERUWRGLYRQVEF-LLVKDONJSA-N 0 0 442.507 4.160 50 0 IIAARN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCCCCC1 ZINC000000862917 555573260 /nfs/dbraw/zinc/57/32/60/555573260.db2.gz AEQANCUBKVBNNE-UHFFFAOYSA-N 0 0 432.402 4.160 50 0 IIAARN COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000870428 555575352 /nfs/dbraw/zinc/57/53/52/555575352.db2.gz MNNIFRVOUZFNBD-UHFFFAOYSA-N 0 0 428.945 4.311 50 0 IIAARN COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2)n1Cc1ccccc1 ZINC000000882894 555578165 /nfs/dbraw/zinc/57/81/65/555578165.db2.gz BQOPGKHEBRSYFH-UHFFFAOYSA-N 0 0 444.560 4.411 50 0 IIAARN Cc1c(NC(=O)c2cccc(NC(=O)CC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009516530 555578400 /nfs/dbraw/zinc/57/84/00/555578400.db2.gz RCOODFXIQUAJCV-UHFFFAOYSA-N 0 0 432.524 4.256 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2Cl)cc1 ZINC000000972161 555591827 /nfs/dbraw/zinc/59/18/27/555591827.db2.gz OUYALHVFIABCRX-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000000977598 555592596 /nfs/dbraw/zinc/59/25/96/555592596.db2.gz JNIYSOLJPLJTKF-UHFFFAOYSA-N 0 0 432.480 4.397 50 0 IIAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3O)nc2c1 ZINC000000977638 555592658 /nfs/dbraw/zinc/59/26/58/555592658.db2.gz RASYJMUKTNOFPD-UHFFFAOYSA-N 0 0 433.489 4.401 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000983180 555593833 /nfs/dbraw/zinc/59/38/33/555593833.db2.gz LKHHGJWWCXMZTM-UHFFFAOYSA-N 0 0 440.521 4.090 50 0 IIAARN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1Cl ZINC000000983569 555594141 /nfs/dbraw/zinc/59/41/41/555594141.db2.gz NVMQYALZCXEWNL-UHFFFAOYSA-N 0 0 444.940 4.144 50 0 IIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)c(OC)c1 ZINC000000990076 555595978 /nfs/dbraw/zinc/59/59/78/555595978.db2.gz ABCQEIWBJXVIFF-AREMUKBSSA-N 0 0 431.488 4.020 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)c1ccc(Br)o1 ZINC000000990973 555596310 /nfs/dbraw/zinc/59/63/10/555596310.db2.gz HQFXOWXGBYCOCC-UHFFFAOYSA-N 0 0 439.262 4.234 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)cc1OC ZINC000000994673 555598060 /nfs/dbraw/zinc/59/80/60/555598060.db2.gz YVZJXFFUVMPNSH-UHFFFAOYSA-N 0 0 449.525 4.456 50 0 IIAARN COc1cccc(OC)c1C(=O)Nc1ccccc1NC(=O)c1c(OC)cccc1OC ZINC000001048273 555611765 /nfs/dbraw/zinc/61/17/65/555611765.db2.gz QSBQMOJBTWCJOC-UHFFFAOYSA-N 0 0 436.464 4.226 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)N1CCc2ccccc21 ZINC000001051608 555613279 /nfs/dbraw/zinc/61/32/79/555613279.db2.gz GFWBAQDQJQITBG-UHFFFAOYSA-N 0 0 428.517 4.321 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001053652 555614267 /nfs/dbraw/zinc/61/42/67/555614267.db2.gz HTQYRFVAYXEOQS-UHFFFAOYSA-N 0 0 435.307 4.256 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000001061996 555616669 /nfs/dbraw/zinc/61/66/69/555616669.db2.gz ULVQBYPXOXDMGE-UHFFFAOYSA-N 0 0 438.549 4.351 50 0 IIAARN COc1ccc(OC)c(Nc2nc3nonc3nc2Nc2cccc(Br)c2)c1 ZINC000001063211 555617060 /nfs/dbraw/zinc/61/70/60/555617060.db2.gz WRYICVOGEPNDKU-UHFFFAOYSA-N 0 0 443.261 4.280 50 0 IIAARN CCOc1ccccc1-c1nc(SCC(=O)Nc2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000001066387 555618318 /nfs/dbraw/zinc/61/83/18/555618318.db2.gz HWJWKBHAXRRYGG-UHFFFAOYSA-N 0 0 446.916 4.041 50 0 IIAARN Cc1cc(NC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)no1 ZINC000009712567 555620812 /nfs/dbraw/zinc/62/08/12/555620812.db2.gz YZNBEHJTQSSKTI-UHFFFAOYSA-N 0 0 435.509 4.182 50 0 IIAARN COc1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000001073291 555622254 /nfs/dbraw/zinc/62/22/54/555622254.db2.gz IZACZFABGHIPDJ-UHFFFAOYSA-N 0 0 437.732 4.060 50 0 IIAARN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000001076473 555624345 /nfs/dbraw/zinc/62/43/45/555624345.db2.gz IFONJNDDVDWOPP-UHFFFAOYSA-N 0 0 444.597 4.494 50 0 IIAARN CCc1cccc(C)c1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000001076253 555624364 /nfs/dbraw/zinc/62/43/64/555624364.db2.gz LNKWLMZHDYSACJ-UHFFFAOYSA-N 0 0 439.375 4.033 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001085974 555626576 /nfs/dbraw/zinc/62/65/76/555626576.db2.gz GPFPIPKDEUPDQJ-UHFFFAOYSA-N 0 0 446.878 4.141 50 0 IIAARN NC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000001094584 555627588 /nfs/dbraw/zinc/62/75/88/555627588.db2.gz CJGYASAFUPNTRP-UHFFFAOYSA-N 0 0 437.249 4.141 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000001108460 555629843 /nfs/dbraw/zinc/62/98/43/555629843.db2.gz IZYUFMGOZYPCGD-UHFFFAOYSA-N 0 0 428.732 4.350 50 0 IIAARN O=c1c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc2n1OCc1ccccn1 ZINC000001109001 555630486 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Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1Cl ZINC000001173730 555668439 /nfs/dbraw/zinc/66/84/39/555668439.db2.gz BCHMLGWZEDSTNL-UHFFFAOYSA-N 0 0 445.766 4.124 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc3ccccc32)c(OC)c1 ZINC000001177325 555670221 /nfs/dbraw/zinc/67/02/21/555670221.db2.gz KOKPOKHQJCFEMZ-JOCHJYFZSA-N 0 0 433.533 4.289 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)cc3n2)cc1 ZINC000001181553 555671917 /nfs/dbraw/zinc/67/19/17/555671917.db2.gz STBFMCWJCKGVMQ-UHFFFAOYSA-N 0 0 449.511 4.394 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000001194585 555676313 /nfs/dbraw/zinc/67/63/13/555676313.db2.gz GYRPHQMSPUTYDJ-UHFFFAOYSA-N 0 0 431.539 4.313 50 0 IIAARN CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc(OCC)c1OCC ZINC000001199989 555678192 /nfs/dbraw/zinc/67/81/92/555678192.db2.gz AVPFJBAPKACBCE-UHFFFAOYSA-N 0 0 433.526 4.472 50 0 IIAARN O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1Cl ZINC000001218635 555685074 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4.053 50 0 IIAARN COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000002050513 555728703 /nfs/dbraw/zinc/72/87/03/555728703.db2.gz SHWPMZAJZYYCCP-GOSISDBHSA-N 0 0 441.406 4.017 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)NCCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002085608 555739726 /nfs/dbraw/zinc/73/97/26/555739726.db2.gz QABORMUSXINQSG-UHFFFAOYSA-N 0 0 444.491 4.163 50 0 IIAARN CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002088317 555740572 /nfs/dbraw/zinc/74/05/72/555740572.db2.gz OJJQDMVBGVRFMJ-GXTWGEPZSA-N 0 0 431.256 4.446 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br ZINC000002136651 555747215 /nfs/dbraw/zinc/74/72/15/555747215.db2.gz FXVFXQVMNUFPEQ-UHFFFAOYSA-N 0 0 443.091 4.016 50 0 IIAARN COC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2c(Cl)cccc2Cl)S1 ZINC000002170779 555752037 /nfs/dbraw/zinc/75/20/37/555752037.db2.gz ORQYYALGRFKOBH-INIZCTEOSA-N 0 0 432.354 4.144 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000002261016 555763503 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Cc1cccc(S(=O)(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002440225 555779025 /nfs/dbraw/zinc/77/90/25/555779025.db2.gz IPRYCWIWRCHDER-UHFFFAOYSA-N 0 0 432.480 4.436 50 0 IIAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccco2)cc1 ZINC000002450281 555781378 /nfs/dbraw/zinc/78/13/78/555781378.db2.gz ANQCXXHQMBWAPV-UHFFFAOYSA-N 0 0 436.493 4.275 50 0 IIAARN CC(C)N(C)c1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccccc1Cl)CC2 ZINC000034678692 555797720 /nfs/dbraw/zinc/79/77/20/555797720.db2.gz UZOUUWKHBYFTEM-UHFFFAOYSA-N 0 0 427.980 4.163 50 0 IIAARN Cc1cc(C)cc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)c1 ZINC000002692295 555799414 /nfs/dbraw/zinc/79/94/14/555799414.db2.gz WDGBJPKNNCSOHX-UHFFFAOYSA-N 0 0 429.505 4.471 50 0 aggregator IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000002703948 555800777 /nfs/dbraw/zinc/80/07/77/555800777.db2.gz SUZSUFCIEQCLEX-QFIPXVFZSA-N 0 0 429.403 4.406 50 0 IIAARN Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(Br)cc1 ZINC000002713318 555801512 /nfs/dbraw/zinc/80/15/12/555801512.db2.gz YMHVAKBVCOWIDB-UHFFFAOYSA-N 0 0 436.107 4.353 50 0 IIAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 ZINC000002728836 555803439 /nfs/dbraw/zinc/80/34/39/555803439.db2.gz PSZRQQIMGPKEGU-FQEVSTJZSA-N 0 0 435.505 4.123 50 0 IIAARN Cc1ccc(-n2c(=O)oc3c(Br)cc(Br)cc3c2=O)cc1Cl ZINC000002730447 555803695 /nfs/dbraw/zinc/80/36/95/555803695.db2.gz SMJVLPABHKILHH-UHFFFAOYSA-N 0 0 445.494 4.431 50 0 IIAARN CC(C)n1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(F)cc2)c1=O ZINC000034693078 555805864 /nfs/dbraw/zinc/80/58/64/555805864.db2.gz KFFNBGSDOSWZNK-UHFFFAOYSA-N 0 0 446.404 4.136 50 0 IIAARN Cc1ccc(-n2c3ncn(Cc4ccccc4C)c3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000034693493 555807670 /nfs/dbraw/zinc/80/76/70/555807670.db2.gz NNVINTSIDUKWPE-UHFFFAOYSA-N 0 0 436.515 4.062 50 0 IIAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)nc1 ZINC000034680827 555813806 /nfs/dbraw/zinc/81/38/06/555813806.db2.gz NTWIJZQCMKWQME-NTCAYCPXSA-N 0 0 426.520 4.086 50 0 IIAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000034680673 555813809 /nfs/dbraw/zinc/81/38/09/555813809.db2.gz NVCIYDNGWGZWKZ-UHFFFAOYSA-N 0 0 435.355 4.335 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2C)cc1 ZINC000002767036 555814035 /nfs/dbraw/zinc/81/40/35/555814035.db2.gz OIHLHUBHKJICSQ-UHFFFAOYSA-N 0 0 445.544 4.096 50 0 IIAARN COc1cccc(N(C2CCN(Cc3ccoc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034684001 555819407 /nfs/dbraw/zinc/81/94/07/555819407.db2.gz YTTPFTGYGHPUBP-UHFFFAOYSA-N 0 0 440.565 4.457 50 0 IIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)C5CCC5)CC4)n23)c1 ZINC000034707091 555821827 /nfs/dbraw/zinc/82/18/27/555821827.db2.gz HNOXZFHAVVGVRS-UHFFFAOYSA-N 0 0 440.551 4.092 50 0 IIAARN CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccc(Cl)cc4)[C@H](C)C3)n21 ZINC000034706660 555821834 /nfs/dbraw/zinc/82/18/34/555821834.db2.gz NEUSOFQEOHTXDL-MRXNPFEDSA-N 0 0 448.958 4.405 50 0 IIAARN Cc1ccsc1C[NH+]1CCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000034707969 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556259794 /nfs/dbraw/zinc/25/97/94/556259794.db2.gz DFILTNCWAJFKCI-DEOSSOPVSA-N 0 0 434.492 4.314 50 0 IIAARN CCc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000009231983 556261332 /nfs/dbraw/zinc/26/13/32/556261332.db2.gz DDZPVTPPPPXPIS-UHFFFAOYSA-N 0 0 442.972 4.101 50 0 IIAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000009234419 556263108 /nfs/dbraw/zinc/26/31/08/556263108.db2.gz FXKIUZXGIYTLFY-GOSISDBHSA-N 0 0 447.922 4.262 50 0 IIAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1C)S2 ZINC000009237947 556264709 /nfs/dbraw/zinc/26/47/09/556264709.db2.gz OLGMOAQFOAYUJH-IAGOWNOFSA-N 0 0 444.358 4.055 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000009238952 556265317 /nfs/dbraw/zinc/26/53/17/556265317.db2.gz FKWCBRUQZBZLHN-OALUTQOASA-N 0 0 443.960 4.345 50 0 IIAARN CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239319 556265850 /nfs/dbraw/zinc/26/58/50/556265850.db2.gz GVZPWOSTASBAGO-MSOLQXFVSA-N 0 0 431.924 4.339 50 0 IIAARN CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000009243119 556266625 /nfs/dbraw/zinc/26/66/25/556266625.db2.gz OYVJHGHEYHSIPF-QFIPXVFZSA-N 0 0 441.915 4.070 50 0 IIAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C)c(Cl)c4)n3N)oc21 ZINC000009260815 556268720 /nfs/dbraw/zinc/26/87/20/556268720.db2.gz HGXSMHLBMCXFOW-UHFFFAOYSA-N 0 0 443.916 4.106 50 0 IIAARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3Nc4ccccc4N32)cc(OC)c1OC ZINC000009289247 556273762 /nfs/dbraw/zinc/27/37/62/556273762.db2.gz CQDMOIVUUMEWIF-NRFANRHFSA-N 0 0 437.496 4.281 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccc(F)c1 ZINC000013690778 556280078 /nfs/dbraw/zinc/28/00/78/556280078.db2.gz JUOKDMNUGRQJKG-UHFFFAOYSA-N 0 0 444.528 4.284 50 0 IIAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCC3)c1ccccc1 ZINC000013692038 556281800 /nfs/dbraw/zinc/28/18/00/556281800.db2.gz YMWXABYXEOBXSB-UHFFFAOYSA-N 0 0 426.501 4.144 50 0 IIAARN Cc1c(OCC(=O)NCc2ccncc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000013692518 556281957 /nfs/dbraw/zinc/28/19/57/556281957.db2.gz MTENIQAEJMPKMB-UHFFFAOYSA-N 0 0 428.488 4.091 50 0 IIAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](C)CCc3ccccc3)cn(C3CC3)c21 ZINC000013719879 556289080 /nfs/dbraw/zinc/28/90/80/556289080.db2.gz KSSLUZWJSFVPHT-CQSZACIVSA-N 0 0 426.463 4.374 50 0 IIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009427129 556290600 /nfs/dbraw/zinc/29/06/00/556290600.db2.gz WPJLFBIJZCELDQ-HNNXBMFYSA-N 0 0 447.442 4.111 50 0 IIAARN O=c1n2nc(-c3ccncc3)nc2c2c3c(sc2n1Cc1ccccc1Cl)CCC3 ZINC000013721977 556290682 /nfs/dbraw/zinc/29/06/82/556290682.db2.gz QXLLTZZTGUUERF-UHFFFAOYSA-N 0 0 433.924 4.358 50 0 IIAARN O=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000009428308 556290930 /nfs/dbraw/zinc/29/09/30/556290930.db2.gz DTJKFBWWGFMFTE-HXUWFJFHSA-N 0 0 427.342 4.036 50 0 IIAARN Cc1cc(NC(=O)COCc2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1 ZINC000009436467 556291792 /nfs/dbraw/zinc/29/17/92/556291792.db2.gz GWLUFYQYVINASA-UHFFFAOYSA-N 0 0 426.860 4.297 50 0 IIAARN COc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000009526536 556296986 /nfs/dbraw/zinc/29/69/86/556296986.db2.gz SKYRGUYVSARNMD-UHFFFAOYSA-N 0 0 444.582 4.079 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc(F)cc1 ZINC000013751903 556299406 /nfs/dbraw/zinc/29/94/06/556299406.db2.gz WYTBGPMSHJXOIQ-UHFFFAOYSA-N 0 0 445.829 4.201 50 0 IIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000009581256 556300499 /nfs/dbraw/zinc/30/04/99/556300499.db2.gz OGHUOWGREYYPBM-AWEZNQCLSA-N 0 0 427.913 4.464 50 0 IIAARN O=C(Cc1cccc(C(F)(F)F)c1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000009585199 556301158 /nfs/dbraw/zinc/30/11/58/556301158.db2.gz MLQQFIZXUKVHTP-ATVHPVEESA-N 0 0 434.439 4.101 50 0 IIAARN O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 ZINC000009720591 556307527 /nfs/dbraw/zinc/30/75/27/556307527.db2.gz NZNFHENNSZXXJH-UHFFFAOYSA-N 0 0 447.771 4.116 50 0 IIAARN CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013787863 556309459 /nfs/dbraw/zinc/30/94/59/556309459.db2.gz OTUVULIWLPOWCM-UHFFFAOYSA-N 0 0 438.524 4.305 50 0 IIAARN COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCc3ccccc32)cc1OC ZINC000013813765 556313460 /nfs/dbraw/zinc/31/34/60/556313460.db2.gz RFTLRJAXHICLAZ-XDJHFCHBSA-N 0 0 434.517 4.126 50 0 IIAARN Cc1ccc(C(=O)N2CCN(C(=O)CSc3nc4cc(Cl)ccc4s3)C2)cc1 ZINC000013839538 556317481 /nfs/dbraw/zinc/31/74/81/556317481.db2.gz HZBIFLNBZLJBIH-UHFFFAOYSA-N 0 0 431.970 4.292 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1Cl ZINC000013839195 556317597 /nfs/dbraw/zinc/31/75/97/556317597.db2.gz JTJVYBCRQWJLOZ-INIZCTEOSA-N 0 0 427.917 4.054 50 0 IIAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013843069 556317792 /nfs/dbraw/zinc/31/77/92/556317792.db2.gz OWNLWDBGYRKCQC-MRVPVSSYSA-N 0 0 425.696 4.091 50 0 IIAARN CCOc1ccc(CC2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000009934120 556317890 /nfs/dbraw/zinc/31/78/90/556317890.db2.gz LHIUMOKCNDQAFZ-QFIPXVFZSA-N 0 0 444.934 4.464 50 0 IIAARN CCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 ZINC000009934762 556318237 /nfs/dbraw/zinc/31/82/37/556318237.db2.gz YORUTOPIEHJTKC-QFIPXVFZSA-N 0 0 433.512 4.393 50 0 IIAARN Cc1cccc(N(CCCC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 ZINC000013847468 556319478 /nfs/dbraw/zinc/31/94/78/556319478.db2.gz BYSMQQQUSBYIRT-UHFFFAOYSA-N 0 0 443.338 4.082 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1csc(-c2ccccc2)n1 ZINC000032759608 556319831 /nfs/dbraw/zinc/31/98/31/556319831.db2.gz QQXMTBLMUWIIIK-QHCPKHFHSA-N 0 0 443.576 4.286 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2=O)c1 ZINC000032760269 556320386 /nfs/dbraw/zinc/32/03/86/556320386.db2.gz DXYDTUWNYDDMBE-QGZVFWFLSA-N 0 0 427.460 4.495 50 0 IIAARN CCCOC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000010041374 556323410 /nfs/dbraw/zinc/32/34/10/556323410.db2.gz ZUFHIOAKUMZURY-JNVBVNAASA-N 0 0 431.532 4.247 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754195 556323503 /nfs/dbraw/zinc/32/35/03/556323503.db2.gz KGZXYBDNYOISLV-QWHCGFSZSA-N 0 0 430.353 4.384 50 0 IIAARN O=C(C[C@@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1cc(Cl)ccc1Cl ZINC000010059354 556324093 /nfs/dbraw/zinc/32/40/93/556324093.db2.gz CCLKEZHWCLLTNV-INIZCTEOSA-N 0 0 437.304 4.269 50 0 IIAARN COC(=O)c1cc(=O)n(CCc2ccccc2F)/c(=N/c2ccc(F)c(Cl)c2)s1 ZINC000013879209 556324891 /nfs/dbraw/zinc/32/48/91/556324891.db2.gz WQXCFVJOGCVDDD-GFMRDNFCSA-N 0 0 436.867 4.103 50 0 IIAARN Cn1c(SCCn2c(=O)oc3ccccc32)nc2scc(-c3cccs3)c2c1=O ZINC000032777104 556327900 /nfs/dbraw/zinc/32/79/00/556327900.db2.gz PBWYCHUHJNMOOB-UHFFFAOYSA-N 0 0 441.559 4.424 50 0 IIAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2sc(-c3ccsc3)nc2C)cc(OC)c1 ZINC000032777448 556329735 /nfs/dbraw/zinc/32/97/35/556329735.db2.gz HSTWGGJSLDWEPE-GFCCVEGCSA-N 0 0 432.523 4.381 50 0 IIAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1=O ZINC000010462083 556335614 /nfs/dbraw/zinc/33/56/14/556335614.db2.gz QPBCJWOUGJHNBF-QGZVFWFLSA-N 0 0 427.932 4.488 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(OC)c3)cc2)cc1 ZINC000013936369 556336373 /nfs/dbraw/zinc/33/63/73/556336373.db2.gz QBOJZKTYQFIHFQ-UHFFFAOYSA-N 0 0 443.550 4.314 50 0 IIAARN C[C@H](NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000032564520 556338214 /nfs/dbraw/zinc/33/82/14/556338214.db2.gz QZBHRXIQWURNEB-KRWDZBQOSA-N 0 0 449.576 4.492 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)cc1Cl ZINC000013944419 556341624 /nfs/dbraw/zinc/34/16/24/556341624.db2.gz CTPIOIJDVKSANQ-CQSZACIVSA-N 0 0 442.928 4.038 50 0 IIAARN Cc1ccccc1N1C[C@H](c2nnc(NC(=O)CCCOc3ccccc3)s2)CC1=O ZINC000013944449 556341659 /nfs/dbraw/zinc/34/16/59/556341659.db2.gz CYGWXCAGTDQGFU-QGZVFWFLSA-N 0 0 436.537 4.165 50 0 IIAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 ZINC000013944489 556341998 /nfs/dbraw/zinc/34/19/98/556341998.db2.gz UMGFVIUSPGFIHO-MRXNPFEDSA-N 0 0 428.558 4.366 50 0 IIAARN COc1ccc(OCC(=O)Nc2cc3c(cc2C(=O)c2ccc(C)cc2)OCCO3)cc1 ZINC000013945484 556342715 /nfs/dbraw/zinc/34/27/15/556342715.db2.gz MYLXLOLLNJKVAR-UHFFFAOYSA-N 0 0 433.460 4.023 50 0 IIAARN Cc1nccn1CC[C@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1ccccc1 ZINC000011661612 556343169 /nfs/dbraw/zinc/34/31/69/556343169.db2.gz ILUKBAIDOXJAOR-NRFANRHFSA-N 0 0 434.931 4.046 50 0 IIAARN CCn1c2ccc(NC(=O)CSc3ccc(Br)cc3)cc2n(CC)c1=O ZINC000013957403 556345108 /nfs/dbraw/zinc/34/51/08/556345108.db2.gz IYKRIIJIRVTCKQ-UHFFFAOYSA-N 0 0 434.359 4.336 50 0 IIAARN CN(C)c1ccc(-c2nnc3sc(-c4ccccc4I)nn32)cc1 ZINC000013956958 556345120 /nfs/dbraw/zinc/34/51/20/556345120.db2.gz KQYUWQBGRMXKKZ-UHFFFAOYSA-N 0 0 447.305 4.190 50 0 IIAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000011703955 556347199 /nfs/dbraw/zinc/34/71/99/556347199.db2.gz VALRQQFTBRKKJJ-VWLOTQADSA-N 0 0 425.573 4.352 50 0 IIAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000013961162 556348688 /nfs/dbraw/zinc/34/86/88/556348688.db2.gz XJTWEIQTUXOBGX-UHFFFAOYSA-N 0 0 426.542 4.437 50 0 IIAARN COc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000011754030 556348846 /nfs/dbraw/zinc/34/88/46/556348846.db2.gz WUBRECZRSVXZNB-INIZCTEOSA-N 0 0 431.483 4.314 50 0 IIAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2cc4ccccc4n2C)C3)n1 ZINC000011782318 556351021 /nfs/dbraw/zinc/35/10/21/556351021.db2.gz VYIFXVXZWQHNMY-KRWDZBQOSA-N 0 0 430.483 4.125 50 0 IIAARN CCc1ccc(CN(C)C(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cc1 ZINC000011783250 556351766 /nfs/dbraw/zinc/35/17/66/556351766.db2.gz ZMHVGZOXCZKDDR-VWLOTQADSA-N 0 0 426.532 4.027 50 0 IIAARN O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000011786638 556353547 /nfs/dbraw/zinc/35/35/47/556353547.db2.gz HYNYABAXQSXPEF-HXUWFJFHSA-N 0 0 445.485 4.092 50 0 IIAARN Cc1ccccc1Cc1c(C(=O)N2CCC[C@H](C)C2)c(=O)cc(C)n1Cc1ccccn1 ZINC000011788456 556354467 /nfs/dbraw/zinc/35/44/67/556354467.db2.gz NINWDAQJUHRUNX-IBGZPJMESA-N 0 0 429.564 4.371 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014017702 556355948 /nfs/dbraw/zinc/35/59/48/556355948.db2.gz KQDIWVCEYAOAFR-INIZCTEOSA-N 0 0 433.508 4.127 50 0 IIAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000011819476 556361487 /nfs/dbraw/zinc/36/14/87/556361487.db2.gz IZMQXPGMWIAQGI-SANMLTNESA-N 0 0 431.536 4.291 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000014083404 556363320 /nfs/dbraw/zinc/36/33/20/556363320.db2.gz VINGJDXVYIQMQF-NRFANRHFSA-N 0 0 446.532 4.168 50 0 IIAARN O=C(CN(CCc1cccs1)Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014086105 556364728 /nfs/dbraw/zinc/36/47/28/556364728.db2.gz PJQYQMHUSQSBEF-UHFFFAOYSA-N 0 0 427.595 4.301 50 0 IIAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCc1nnc2n1-c1ccccc1CC2 ZINC000032803212 556365391 /nfs/dbraw/zinc/36/53/91/556365391.db2.gz ZDKXOJUJZJYSKK-UHFFFAOYSA-N 0 0 431.584 4.322 50 0 IIAARN COc1cc2c(cc1NC(=O)c1ccc(N3CCCS3(=O)=O)cc1)oc1ccccc12 ZINC000032808560 556368831 /nfs/dbraw/zinc/36/88/31/556368831.db2.gz RXJWMMVTBGBEFX-UHFFFAOYSA-N 0 0 436.489 4.387 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)Cc2sccc2C)c1 ZINC000011873611 556369820 /nfs/dbraw/zinc/36/98/20/556369820.db2.gz JRCWTOJLAFKWAM-UHFFFAOYSA-N 0 0 442.581 4.117 50 0 IIAARN CCN1CCN(C(=O)[C@H](C)Sc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000014112696 556370226 /nfs/dbraw/zinc/37/02/26/556370226.db2.gz ODRYPMIDOWUECY-INIZCTEOSA-N 0 0 426.611 4.311 50 0 IIAARN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000011874358 556370305 /nfs/dbraw/zinc/37/03/05/556370305.db2.gz BHHVBYAJNYQKJC-UHFFFAOYSA-N 0 0 426.801 4.410 50 0 IIAARN Cc1nc(SCc2nnc(-c3ccc(Br)s3)o2)c(C(N)=O)c(C)c1C ZINC000014123724 556372813 /nfs/dbraw/zinc/37/28/13/556372813.db2.gz VQAAWNSOLCPVQI-UHFFFAOYSA-N 0 0 439.360 4.272 50 0 IIAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)CC(=O)N5)o3)cc2C1 ZINC000014125256 556373232 /nfs/dbraw/zinc/37/32/32/556373232.db2.gz RBLFCYRJRXVLIF-LLVKDONJSA-N 0 0 425.535 4.393 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(OCc3c(C)noc3C)cc1)CC2 ZINC000014125741 556373582 /nfs/dbraw/zinc/37/35/82/556373582.db2.gz JYGZTROIMABSAW-UHFFFAOYSA-N 0 0 436.508 4.015 50 0 IIAARN O=C(CSc1ccc2ccccc2c1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000014135357 556374842 /nfs/dbraw/zinc/37/48/42/556374842.db2.gz YWDLQZUAXMAYRB-GOSISDBHSA-N 0 0 431.604 4.209 50 0 IIAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000011933548 556376778 /nfs/dbraw/zinc/37/67/78/556376778.db2.gz IEQGMBFUDKSKFK-IBGZPJMESA-N 0 0 442.922 4.452 50 0 IIAARN O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)c1cn(CCCc2ccccc2)nn1 ZINC000011937433 556379022 /nfs/dbraw/zinc/37/90/22/556379022.db2.gz XSPYILQHICMLBM-QHCPKHFHSA-N 0 0 431.927 4.479 50 0 IIAARN O=C(/C=C/c1cc(F)ccc1F)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000011964630 556381462 /nfs/dbraw/zinc/38/14/62/556381462.db2.gz BLUMTQBORFAOFY-HVTRQVLWSA-N 0 0 427.838 4.208 50 0 IIAARN O=c1c2c3c(sc2ncn1C[C@@H](O)COc1cc(Cl)ccc1Cl)CCCC3 ZINC000014184116 556384102 /nfs/dbraw/zinc/38/41/02/556384102.db2.gz BDZPENZPRVKHRC-GFCCVEGCSA-N 0 0 425.337 4.084 50 0 IIAARN Cc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2)cs1 ZINC000014184697 556384730 /nfs/dbraw/zinc/38/47/30/556384730.db2.gz MAQVGJPNGNABRI-UHFFFAOYSA-N 0 0 429.929 4.395 50 0 IIAARN C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000014186052 556385800 /nfs/dbraw/zinc/38/58/00/556385800.db2.gz ZQCGFZZYAFYGDT-ZDUSSCGKSA-N 0 0 434.439 4.245 50 0 IIAARN CCc1nc(C)c(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000012025761 556387719 /nfs/dbraw/zinc/38/77/19/556387719.db2.gz YEKULAIUAJANDA-KRWDZBQOSA-N 0 0 439.541 4.006 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)/C=C/c2cccnc2)CC3)cc1Cl ZINC000012034861 556389375 /nfs/dbraw/zinc/38/93/75/556389375.db2.gz ITCCSCHYUPYEEP-WEBJUUICSA-N 0 0 425.916 4.024 50 0 IIAARN COc1cc(OC)c(OC)cc1CN1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000012041985 556391117 /nfs/dbraw/zinc/39/11/17/556391117.db2.gz SEJCKDLXGBQHKE-QHCPKHFHSA-N 0 0 449.547 4.383 50 0 IIAARN O=C(NCc1ccccn1)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1 ZINC000012047547 556391477 /nfs/dbraw/zinc/39/14/77/556391477.db2.gz IRBCZVHIDVXPJX-UHFFFAOYSA-N 0 0 436.475 4.278 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2cnc(SC)nc2)C1 ZINC000012050305 556392149 /nfs/dbraw/zinc/39/21/49/556392149.db2.gz BIABKDMNTYKDLN-OAHLLOKOSA-N 0 0 434.993 4.491 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000014201908 556392372 /nfs/dbraw/zinc/39/23/72/556392372.db2.gz PFLGWVNZDGDYLQ-UHFFFAOYSA-N 0 0 448.592 4.134 50 0 IIAARN CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000012072971 556396523 /nfs/dbraw/zinc/39/65/23/556396523.db2.gz QETHQGKFYYSINT-UHFFFAOYSA-N 0 0 432.520 4.084 50 0 IIAARN CN(C)C(=O)[C@@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000032810467 556397000 /nfs/dbraw/zinc/39/70/00/556397000.db2.gz ZMEXXMJQDMEXMH-XZOQPEGZSA-N 0 0 432.545 4.402 50 0 IIAARN CCOc1ccccc1NC(=O)COc1ccc(-c2csc(C)n2)cc1NC(C)=O ZINC000032814320 556399622 /nfs/dbraw/zinc/39/96/22/556399622.db2.gz RLGXCUPTJUWASF-UHFFFAOYSA-N 0 0 425.510 4.493 50 0 IIAARN C[C@H](C1CC1)N(C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)C1CC1 ZINC000032814640 556400224 /nfs/dbraw/zinc/40/02/24/556400224.db2.gz LIGYTAUMNHODDY-CYBMUJFWSA-N 0 0 435.977 4.224 50 0 IIAARN O=C(NCc1ccccc1F)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000014240401 556400951 /nfs/dbraw/zinc/40/09/51/556400951.db2.gz DQPDTFNXUMDSOE-UHFFFAOYSA-N 0 0 436.867 4.349 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000032578775 556405495 /nfs/dbraw/zinc/40/54/95/556405495.db2.gz HJOVXJXTVHPCGV-UHFFFAOYSA-N 0 0 443.459 4.136 50 0 IIAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000032579150 556406321 /nfs/dbraw/zinc/40/63/21/556406321.db2.gz KZAWKNOSLOUMOV-UHFFFAOYSA-N 0 0 443.459 4.283 50 0 IIAARN CC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000032593766 556407262 /nfs/dbraw/zinc/40/72/62/556407262.db2.gz QOFJEEZPQVVERR-JOCHJYFZSA-N 0 0 430.976 4.206 50 0 IIAARN O=C(Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000014250441 556408803 /nfs/dbraw/zinc/40/88/03/556408803.db2.gz GCUPNHKVGJNFSW-UHFFFAOYSA-N 0 0 448.759 4.185 50 0 IIAARN COc1ccc(C(=O)c2ccc(CSc3nc(N4CCOCC4)cs3)o2)cc1OC ZINC000032615561 556408831 /nfs/dbraw/zinc/40/88/31/556408831.db2.gz JXLODFGWWXVYGU-UHFFFAOYSA-N 0 0 446.550 4.113 50 0 IIAARN COc1ccc(Nc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1S(=O)(=O)N1CCCCC1 ZINC000014253274 556409878 /nfs/dbraw/zinc/40/98/78/556409878.db2.gz RPPDTQFCVZOKPU-AWEZNQCLSA-N 0 0 432.517 4.442 50 0 IIAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3OC)n2)cc1 ZINC000032622494 556409953 /nfs/dbraw/zinc/40/99/53/556409953.db2.gz RJMBUTAPMHDEFW-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN O=S(=O)(Nc1ccc(Br)cc1Br)c1ccc(F)c(F)c1 ZINC000014255128 556410672 /nfs/dbraw/zinc/41/06/72/556410672.db2.gz WTLITXGTKMGMDL-UHFFFAOYSA-N 0 0 427.064 4.291 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(Cl)cc3)n2)c1 ZINC000032623788 556410976 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IIAARN O=C(CSc1nnc2n1CCCCC2)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032671989 556414411 /nfs/dbraw/zinc/41/44/11/556414411.db2.gz CEJNRBPFZFSCAQ-OAHLLOKOSA-N 0 0 427.555 4.129 50 0 IIAARN Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 ZINC000032671891 556414445 /nfs/dbraw/zinc/41/44/45/556414445.db2.gz QFYLFHGPFWGCIY-CYBMUJFWSA-N 0 0 448.595 4.325 50 0 IIAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(F)cc1F ZINC000012939491 556416540 /nfs/dbraw/zinc/41/65/40/556416540.db2.gz OKIBRHVGCIRABX-HNNXBMFYSA-N 0 0 430.476 4.281 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000032832934 556417655 /nfs/dbraw/zinc/41/76/55/556417655.db2.gz OINNPAYBVGALDF-INIZCTEOSA-N 0 0 442.537 4.044 50 0 IIAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012974053 556419951 /nfs/dbraw/zinc/41/99/51/556419951.db2.gz NALILCLOJOXOHN-IBGZPJMESA-N 0 0 449.580 4.184 50 0 IIAARN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012975656 556421307 /nfs/dbraw/zinc/42/13/07/556421307.db2.gz DCUMVSCHQKRTFA-UHFFFAOYSA-N 0 0 426.532 4.171 50 0 IIAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012975918 556421591 /nfs/dbraw/zinc/42/15/91/556421591.db2.gz ZFHWOHDYWMWBQQ-MRXNPFEDSA-N 0 0 443.565 4.264 50 0 IIAARN O=C([C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1)N1CCCCC1 ZINC000012979758 556423861 /nfs/dbraw/zinc/42/38/61/556423861.db2.gz DBHZQVYOTTZIDZ-HXUWFJFHSA-N 0 0 445.548 4.367 50 0 IIAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H]3CCCC(C)(C)C3)cnc2n1C[C@H]1CCCO1 ZINC000014538958 556424654 /nfs/dbraw/zinc/42/46/54/556424654.db2.gz LBMIUBNJPDBRAD-SJLPKXTDSA-N 0 0 442.560 4.341 50 0 IIAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCOC3=O)n2C2CCCC2)cc1 ZINC000012983797 556425673 /nfs/dbraw/zinc/42/56/73/556425673.db2.gz LEWSSJJCOLGNCE-UHFFFAOYSA-N 0 0 428.558 4.429 50 0 IIAARN COc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000012987316 556427736 /nfs/dbraw/zinc/42/77/36/556427736.db2.gz LSGPPHXVJJLXBO-XMMPIXPASA-N 0 0 438.549 4.360 50 0 IIAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)cc1Br ZINC000012988324 556427919 /nfs/dbraw/zinc/42/79/19/556427919.db2.gz KCZVMFDZNLJWFI-UHFFFAOYSA-N 0 0 436.306 4.287 50 0 IIAARN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OCC ZINC000032843298 556428336 /nfs/dbraw/zinc/42/83/36/556428336.db2.gz BDUGZERBOHIJIG-FXAWDEMLSA-N 0 0 442.531 4.353 50 0 IIAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1OC[C@H]1CCCO1 ZINC000032843214 556428353 /nfs/dbraw/zinc/42/83/53/556428353.db2.gz TYTHNLMVNVVSPJ-CYBMUJFWSA-N 0 0 434.286 4.030 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)cc1 ZINC000012994809 556430252 /nfs/dbraw/zinc/43/02/52/556430252.db2.gz CRDXXWKQLXSLBQ-KRWDZBQOSA-N 0 0 446.638 4.418 50 0 IIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000032848523 556430761 /nfs/dbraw/zinc/43/07/61/556430761.db2.gz REQKIGGKQXKWDC-OAHLLOKOSA-N 0 0 429.904 4.384 50 0 IIAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032854532 556432670 /nfs/dbraw/zinc/43/26/70/556432670.db2.gz UYWVNWBSDFJJQW-NSHDSACASA-N 0 0 434.568 4.102 50 0 IIAARN CCn1c(=O)c2sccc2nc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000027831791 556433947 /nfs/dbraw/zinc/43/39/47/556433947.db2.gz XYNQGUWONJEPNT-AWEZNQCLSA-N 0 0 427.595 4.326 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2)OCc1ccccc1 ZINC000013004548 556434534 /nfs/dbraw/zinc/43/45/34/556434534.db2.gz YDWSFHVJDJQAGE-QFIPXVFZSA-N 0 0 446.503 4.324 50 0 IIAARN COc1cc2ncn(CCCC(=O)O[C@@H](C)c3ccccc3Cl)c(=O)c2cc1OC ZINC000032850655 556435737 /nfs/dbraw/zinc/43/57/37/556435737.db2.gz RTMDIIMQHJEVCZ-AWEZNQCLSA-N 0 0 430.888 4.152 50 0 IIAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000013016104 556437987 /nfs/dbraw/zinc/43/79/87/556437987.db2.gz DMPYEUZBWASEAK-HXUWFJFHSA-N 0 0 434.544 4.114 50 0 IIAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000014739599 556438082 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ZINC000028646937 556457999 /nfs/dbraw/zinc/45/79/99/556457999.db2.gz ZEBYKHPOHDOZLE-UHFFFAOYSA-N 0 0 425.485 4.237 50 0 IIAARN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000014922633 556458744 /nfs/dbraw/zinc/45/87/44/556458744.db2.gz LMRPLLZUGUXFDJ-XAXBATDNSA-N 0 0 448.600 4.022 50 0 IIAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000032870632 556459094 /nfs/dbraw/zinc/45/90/94/556459094.db2.gz NICOVIJQXYEKLL-OAHLLOKOSA-N 0 0 431.330 4.116 50 0 IIAARN O=C(c1cncn1-c1ccccc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000028688443 556459122 /nfs/dbraw/zinc/45/91/22/556459122.db2.gz MUVYNLGSRSIZQH-UHFFFAOYSA-N 0 0 449.864 4.292 50 0 IIAARN Cc1cc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c2nc3n(c2n1)CCCCC3 ZINC000072278494 556461303 /nfs/dbraw/zinc/46/13/03/556461303.db2.gz MTZXCENDYGEYDN-UHFFFAOYSA-N 0 0 446.536 4.427 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000013102770 556461356 /nfs/dbraw/zinc/46/13/56/556461356.db2.gz BPUSEHYRTHNJFB-UHFFFAOYSA-N 0 0 437.496 4.080 50 0 IIAARN CC(C)Cn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000014953892 556461539 /nfs/dbraw/zinc/46/15/39/556461539.db2.gz OJAWCKGLNNOAAY-XMMPIXPASA-N 0 0 449.595 4.328 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013108396 556462005 /nfs/dbraw/zinc/46/20/05/556462005.db2.gz OCBBNPYGMCVEEO-UHFFFAOYSA-N 0 0 436.961 4.392 50 0 IIAARN O=C(Oc1ccc2c(c1)OCO2)c1cc(Br)ccc1I ZINC000028882610 556462957 /nfs/dbraw/zinc/46/29/57/556462957.db2.gz ZJEBUPROBNETIB-UHFFFAOYSA-N 0 0 447.022 4.002 50 0 IIAARN COc1ccccc1CNc1ncnc2sc(C(=O)N(C)[C@H](C)c3ccon3)c(C)c21 ZINC000014961355 556463816 /nfs/dbraw/zinc/46/38/16/556463816.db2.gz IHMCSQWBLFPUNU-CQSZACIVSA-N 0 0 437.525 4.442 50 0 IIAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013110032 556463905 /nfs/dbraw/zinc/46/39/05/556463905.db2.gz JGNBQDKENCABNU-UHFFFAOYSA-N 0 0 434.525 4.354 50 0 IIAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)s1 ZINC000014963081 556464618 /nfs/dbraw/zinc/46/46/18/556464618.db2.gz RGSNLPOEHRLMIN-PBHICJAKSA-N 0 0 431.529 4.382 50 0 IIAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)S(=O)(=O)c1c(C)noc1C ZINC000013112553 556465175 /nfs/dbraw/zinc/46/51/75/556465175.db2.gz VDGHRNUIQUCEAA-UHFFFAOYSA-N 0 0 436.555 4.151 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000013114232 556466478 /nfs/dbraw/zinc/46/64/78/556466478.db2.gz KMQRKYGZRGHSID-UHFFFAOYSA-N 0 0 443.838 4.254 50 0 IIAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000013116093 556468605 /nfs/dbraw/zinc/46/86/05/556468605.db2.gz XUPNDOOGCSFZMQ-UHFFFAOYSA-N 0 0 437.525 4.133 50 0 IIAARN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000014976684 556469275 /nfs/dbraw/zinc/46/92/75/556469275.db2.gz VKEINNKNEURIJC-NRFANRHFSA-N 0 0 436.556 4.035 50 0 IIAARN O=C([C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1)N1CCCC1 ZINC000013117179 556469560 /nfs/dbraw/zinc/46/95/60/556469560.db2.gz XUGVYHPDRFERAJ-QGZVFWFLSA-N 0 0 449.458 4.017 50 0 IIAARN Cc1sc2nc(CN3CCCC3)nc(Sc3nnnn3-c3ccc(C)cc3)c2c1C ZINC000013117395 556469789 /nfs/dbraw/zinc/46/97/89/556469789.db2.gz KUQWVCADOSROIQ-UHFFFAOYSA-N 0 0 437.598 4.339 50 0 IIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013117782 556470770 /nfs/dbraw/zinc/47/07/70/556470770.db2.gz DBQJEQMGPYWUKQ-UHFFFAOYSA-N 0 0 441.575 4.164 50 0 IIAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000013118050 556471515 /nfs/dbraw/zinc/47/15/15/556471515.db2.gz FQIIQEAKEFYSKR-FQEVSTJZSA-N 0 0 427.961 4.292 50 0 IIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(CN2CCCC2=O)c1 ZINC000029286955 556471615 /nfs/dbraw/zinc/47/16/15/556471615.db2.gz NSEHSFQFUXJVSL-UHFFFAOYSA-N 0 0 441.940 4.046 50 0 IIAARN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1C ZINC000029380090 556473987 /nfs/dbraw/zinc/47/39/87/556473987.db2.gz UBGFCYPYYGOFPZ-UHFFFAOYSA-N 0 0 434.458 4.217 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 ZINC000029411928 556474778 /nfs/dbraw/zinc/47/47/78/556474778.db2.gz DLAQJUXIUHYMIA-MRXNPFEDSA-N 0 0 444.325 4.095 50 0 IIAARN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O ZINC000013127996 556476766 /nfs/dbraw/zinc/47/67/66/556476766.db2.gz BPPSJHASVBJTER-QZTJIDSGSA-N 0 0 449.576 4.372 50 0 IIAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000072285468 556477220 /nfs/dbraw/zinc/47/72/20/556477220.db2.gz RKURUFMYNALSEU-JOCHJYFZSA-N 0 0 443.609 4.364 50 0 IIAARN CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)/C=C/c2cccs2)C3)n1 ZINC000014995908 556477998 /nfs/dbraw/zinc/47/79/98/556477998.db2.gz ZMVDJNPQZTZFDC-RGDDUWESSA-N 0 0 427.526 4.199 50 0 IIAARN CC(=O)Nc1ccc(CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000014998048 556478672 /nfs/dbraw/zinc/47/86/72/556478672.db2.gz BYQWRDIIALSQTP-UHFFFAOYSA-N 0 0 429.977 4.351 50 0 IIAARN Cc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2Cc2ccccc2)s1 ZINC000014997880 556478804 /nfs/dbraw/zinc/47/88/04/556478804.db2.gz UMARNRXZEAXFQO-UHFFFAOYSA-N 0 0 435.578 4.314 50 0 IIAARN CC(=O)c1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013134826 556482872 /nfs/dbraw/zinc/48/28/72/556482872.db2.gz SGXPYHFFFCFBJS-UHFFFAOYSA-N 0 0 442.581 4.184 50 0 IIAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000029822724 556483507 /nfs/dbraw/zinc/48/35/07/556483507.db2.gz TUEMBVIPMIERTC-YNEHKIRRSA-N 0 0 433.268 4.039 50 0 IIAARN COc1ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(OC)c1OC ZINC000029843865 556484266 /nfs/dbraw/zinc/48/42/66/556484266.db2.gz RCCREXDDBCTOAN-UHFFFAOYSA-N 0 0 427.932 4.236 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)c(C)c1 ZINC000029871943 556484881 /nfs/dbraw/zinc/48/48/81/556484881.db2.gz NTHGFHAWDSNNAK-UHFFFAOYSA-N 0 0 432.496 4.367 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015019304 556487718 /nfs/dbraw/zinc/48/77/18/556487718.db2.gz BZYSKZQRULBUMH-IBGZPJMESA-N 0 0 448.548 4.376 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000013145537 556487775 /nfs/dbraw/zinc/48/77/75/556487775.db2.gz MSSHDVVPUHJWGH-UHFFFAOYSA-N 0 0 447.359 4.435 50 0 IIAARN COCc1cc(C(C)=O)ccc1Oc1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC000013145681 556488049 /nfs/dbraw/zinc/48/80/49/556488049.db2.gz ODUPJGBQIYJUGX-UHFFFAOYSA-N 0 0 441.553 4.282 50 0 IIAARN CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000029986404 556488277 /nfs/dbraw/zinc/48/82/77/556488277.db2.gz MCHLETSWAMTRQF-UHFFFAOYSA-N 0 0 446.532 4.222 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 ZINC000032876559 556489182 /nfs/dbraw/zinc/48/91/82/556489182.db2.gz RGSLDYQZAWBRRF-QGZVFWFLSA-N 0 0 444.560 4.313 50 0 IIAARN Cc1c2cccc(F)c2oc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030063605 556490606 /nfs/dbraw/zinc/49/06/06/556490606.db2.gz MRNDAJBPYNVXLI-UHFFFAOYSA-N 0 0 442.512 4.258 50 0 IIAARN O=c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)[nH]c2scc(-c3ccco3)c21 ZINC000013164052 556495372 /nfs/dbraw/zinc/49/53/72/556495372.db2.gz DCHRZMDNAZDHOQ-CQSZACIVSA-N 0 0 427.551 4.487 50 0 IIAARN O=c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)[nH]c2scc(-c3ccco3)c21 ZINC000013164051 556495461 /nfs/dbraw/zinc/49/54/61/556495461.db2.gz DCHRZMDNAZDHOQ-AWEZNQCLSA-N 0 0 427.551 4.487 50 0 IIAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 ZINC000030511628 556495868 /nfs/dbraw/zinc/49/58/68/556495868.db2.gz WVFANMNTDBEMIW-UHFFFAOYSA-N 0 0 444.601 4.014 50 0 IIAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000013164340 556496521 /nfs/dbraw/zinc/49/65/21/556496521.db2.gz TVRHDGJFGLIZJS-XMMPIXPASA-N 0 0 433.577 4.304 50 0 IIAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000013164771 556497267 /nfs/dbraw/zinc/49/72/67/556497267.db2.gz BEKNYABVDNDOHZ-SFHVURJKSA-N 0 0 425.229 4.018 50 0 IIAARN CCCN(CC(=O)Nc1cc(C)nn1-c1ccccc1)Cc1nnc(-c2cccs2)o1 ZINC000013164814 556497293 /nfs/dbraw/zinc/49/72/93/556497293.db2.gz KPYFDNKLNCXQIP-UHFFFAOYSA-N 0 0 436.541 4.143 50 0 IIAARN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc(N3CCOCC3)cc2)c1C ZINC000015073133 556497446 /nfs/dbraw/zinc/49/74/46/556497446.db2.gz VNTFTMOQDDDETP-QHCPKHFHSA-N 0 0 430.552 4.133 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000015096410 556503455 /nfs/dbraw/zinc/50/34/55/556503455.db2.gz KVZQTIPOFFSPRU-INIZCTEOSA-N 0 0 431.521 4.414 50 0 IIAARN CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)cc1OCC ZINC000015126291 556505229 /nfs/dbraw/zinc/50/52/29/556505229.db2.gz SYISTZQMAUVWMT-UHFFFAOYSA-N 0 0 433.936 4.025 50 0 IIAARN CCCC[C@H](C(=O)OC(C)C)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013424651 556505498 /nfs/dbraw/zinc/50/54/98/556505498.db2.gz ZAUZAQDAHGLIAO-KQGPZRGRSA-N 0 0 431.532 4.389 50 0 IIAARN COc1cccc(Cn2c(C)c(C[NH2+]CCN(C)Cc3ccccc3)c(C(=O)[O-])c2C)c1 ZINC000022937812 556506794 /nfs/dbraw/zinc/50/67/94/556506794.db2.gz RVSUWYYWAOMIAK-UHFFFAOYSA-N 0 0 435.568 4.082 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cc2ccccc2)s1 ZINC000032882436 556509008 /nfs/dbraw/zinc/50/90/08/556509008.db2.gz PNZQIYKMRBQABH-UHFFFAOYSA-N 0 0 442.606 4.299 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C(C)(C)C)[nH]1)C[C@H](C)CC2 ZINC000032883983 556509786 /nfs/dbraw/zinc/50/97/86/556509786.db2.gz HOEVQHWEIWTAJZ-LLVKDONJSA-N 0 0 436.603 4.196 50 0 IIAARN Cc1oc2cc(OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000013549140 556514579 /nfs/dbraw/zinc/51/45/79/556514579.db2.gz SWWVDYDLUQVBOM-GASCZTMLSA-N 0 0 441.911 4.436 50 0 IIAARN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000072294867 556514691 /nfs/dbraw/zinc/51/46/91/556514691.db2.gz CWMJUDKHKGHCSU-CDNPAEQRSA-N 0 0 440.609 4.417 50 0 IIAARN CC1(C)OC(c2cccc(NS(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)c2)OC1(C)C ZINC000030947882 556517680 /nfs/dbraw/zinc/51/76/80/556517680.db2.gz VJWWFNIRYJUKJQ-WAIKUNEKSA-N 0 0 435.586 4.426 50 0 IIAARN COc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1 ZINC000032719009 556519228 /nfs/dbraw/zinc/51/92/28/556519228.db2.gz ZOKXFRQOYMYJHW-FPXRNPNWSA-N 0 0 435.545 4.279 50 0 IIAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)c1 ZINC000015412491 556525146 /nfs/dbraw/zinc/52/51/46/556525146.db2.gz KWGUAFALKUBTCM-HSZRJFAPSA-N 0 0 436.895 4.478 50 0 IIAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)c1 ZINC000015412488 556525181 /nfs/dbraw/zinc/52/51/81/556525181.db2.gz KWGUAFALKUBTCM-QHCPKHFHSA-N 0 0 436.895 4.478 50 0 IIAARN CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c(Br)c1 ZINC000013576627 556526464 /nfs/dbraw/zinc/52/64/64/556526464.db2.gz IFBSPAXMYNAFOC-UHFFFAOYSA-N 0 0 430.302 4.099 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000015419315 556526898 /nfs/dbraw/zinc/52/68/98/556526898.db2.gz GZKORMDHMKBNNW-CQSZACIVSA-N 0 0 428.330 4.381 50 0 IIAARN COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1=O ZINC000032900626 556529535 /nfs/dbraw/zinc/52/95/35/556529535.db2.gz PUNOFXZIAONQTM-KRWDZBQOSA-N 0 0 444.491 4.331 50 0 IIAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5cccnc5)nn4cnc32)cc1OC ZINC000013606839 556532934 /nfs/dbraw/zinc/53/29/34/556532934.db2.gz UZIULPREHUONGR-UHFFFAOYSA-N 0 0 428.496 4.018 50 0 IIAARN O=C(Oc1ccc2oc3c(c2c1)CCCC3)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015574741 556535661 /nfs/dbraw/zinc/53/56/61/556535661.db2.gz AOKGHUQPPAXCLQ-UHFFFAOYSA-N 0 0 439.533 4.318 50 0 IIAARN CC(C)CN(C(=O)c1oc2ccccc2c1COc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000015590099 556536447 /nfs/dbraw/zinc/53/64/47/556536447.db2.gz DGNLEKNHCSKBES-SFHVURJKSA-N 0 0 441.549 4.297 50 0 IIAARN Cc1c(NC(=O)c2ccccc2SCc2cscn2)c(=O)n(-c2ccccc2)n1C ZINC000032901957 556538298 /nfs/dbraw/zinc/53/82/98/556538298.db2.gz RZNZJUDHOJYWSJ-UHFFFAOYSA-N 0 0 436.562 4.486 50 0 IIAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000015697152 556543899 /nfs/dbraw/zinc/54/38/99/556543899.db2.gz XSVRBILHBVCBIC-QGZVFWFLSA-N 0 0 428.579 4.175 50 0 IIAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904405 556543952 /nfs/dbraw/zinc/54/39/52/556543952.db2.gz FUZQLSPGYCNVOT-HNNXBMFYSA-N 0 0 437.450 4.001 50 0 IIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000032721797 556547222 /nfs/dbraw/zinc/54/72/22/556547222.db2.gz ZNAGRLDPXHPZQR-UHFFFAOYSA-N 0 0 427.551 4.058 50 0 IIAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000032721799 556547457 /nfs/dbraw/zinc/54/74/57/556547457.db2.gz UGCOPTPSAOZYNT-FLRLSYMASA-N 0 0 426.516 4.042 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1C(=O)OC ZINC000072303518 556547873 /nfs/dbraw/zinc/54/78/73/556547873.db2.gz GMQATSPTIMTFKI-UHFFFAOYSA-N 0 0 430.869 4.289 50 0 IIAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)Cc3coc(-c4ccccc4)n3)sc2C1 ZINC000032905559 556548928 /nfs/dbraw/zinc/54/89/28/556548928.db2.gz AIWBDUJAWVSYGR-UHFFFAOYSA-N 0 0 440.525 4.273 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3c(C(C)=O)cnn3C)c3ccccc3n2)cc1OC ZINC000072305128 556549823 /nfs/dbraw/zinc/54/98/23/556549823.db2.gz VOPIKLBSMVSNBE-UHFFFAOYSA-N 0 0 430.464 4.107 50 0 IIAARN CCc1cc(Sc2ccc(NC(=O)c3c(OC)cccc3OC)cc2)n2ncnc2n1 ZINC000033114880 556554216 /nfs/dbraw/zinc/55/42/16/556554216.db2.gz OSDDTNROUDLRTQ-UHFFFAOYSA-N 0 0 435.509 4.107 50 0 IIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032906912 556554882 /nfs/dbraw/zinc/55/48/82/556554882.db2.gz UYOZBYJTPBDHKJ-CQSZACIVSA-N 0 0 433.270 4.442 50 0 IIAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1 ZINC000033115533 556555478 /nfs/dbraw/zinc/55/54/78/556555478.db2.gz ZTQQCKKWJFUFNF-UHFFFAOYSA-N 0 0 442.581 4.224 50 0 IIAARN Cc1oc2nc(C)nc(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)c2c1C ZINC000032960187 556556315 /nfs/dbraw/zinc/55/63/15/556556315.db2.gz DBMLSHIALKHKMH-UHFFFAOYSA-N 0 0 436.556 4.468 50 0 IIAARN COc1ccc(C(=O)CSc2nc(=O)n(-c3ccc(Cl)cc3)c3c2CCC3)cc1 ZINC000015840463 556556850 /nfs/dbraw/zinc/55/68/50/556556850.db2.gz YDRJAGWMIIVERC-UHFFFAOYSA-N 0 0 426.925 4.358 50 0 IIAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1c(F)cccc1F ZINC000015869120 556559681 /nfs/dbraw/zinc/55/96/81/556559681.db2.gz PEBNQNUGMYKAJK-UHFFFAOYSA-N 0 0 425.258 4.259 50 0 IIAARN CC(C)[C@H](C)CC(=O)NC1CCC(NC(=O)C2CCN(C(=O)C[C@@H](C)C(C)C)CC2)CC1 ZINC000072306378 556560052 /nfs/dbraw/zinc/56/00/52/556560052.db2.gz YLAZMRHYZOPKKK-FDIHYXAFSA-N 0 0 449.680 4.133 50 0 IIAARN O=C(NCCCc1ccccc1)C1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000015869569 556560359 /nfs/dbraw/zinc/56/03/59/556560359.db2.gz WTKHWRCOJBCBME-UHFFFAOYSA-N 0 0 434.561 4.268 50 0 IIAARN C[C@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000072306940 556560792 /nfs/dbraw/zinc/56/07/92/556560792.db2.gz QGYFLIUYJAFTAY-YCRPNKLZSA-N 0 0 445.357 4.235 50 0 IIAARN C[C@@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000072306941 556560963 /nfs/dbraw/zinc/56/09/63/556560963.db2.gz QGYFLIUYJAFTAY-QVKFZJNVSA-N 0 0 445.357 4.235 50 0 IIAARN O=S(=O)(Cc1cccc2cccnc21)NCCCC1(C2OCCO2)CCCCCC1 ZINC000072307410 556562316 /nfs/dbraw/zinc/56/23/16/556562316.db2.gz IZNBABIICLCTFD-UHFFFAOYSA-N 0 0 432.586 4.148 50 0 IIAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cnn2cccnc12 ZINC000032908848 556566072 /nfs/dbraw/zinc/56/60/72/556566072.db2.gz CLAJDQOBGIJEBL-SFHVURJKSA-N 0 0 436.397 4.144 50 0 IIAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)NCc3ccccc3)CC2)cc1 ZINC000033715903 556567130 /nfs/dbraw/zinc/56/71/30/556567130.db2.gz FVTSPFDXYWHUAR-UHFFFAOYSA-N 0 0 429.568 4.024 50 0 IIAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000015947028 556567804 /nfs/dbraw/zinc/56/78/04/556567804.db2.gz GKFBBTCRENVJGR-UHFFFAOYSA-N 0 0 444.892 4.456 50 0 IIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)N1CCC(CO)CC1 ZINC000072309111 556569341 /nfs/dbraw/zinc/56/93/41/556569341.db2.gz RZLBEJACNSZDRV-NRFANRHFSA-N 0 0 425.529 4.333 50 0 IIAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCc2c(F)cccc2Cl)c1C ZINC000032909389 556573071 /nfs/dbraw/zinc/57/30/71/556573071.db2.gz REZURRNSEDOGBB-UHFFFAOYSA-N 0 0 444.981 4.218 50 0 IIAARN COc1ccc(Sc2nsc(NC(=O)c3ccn(-c4ccc(OC)cc4)n3)n2)cc1 ZINC000072310547 556576401 /nfs/dbraw/zinc/57/64/01/556576401.db2.gz XTMQBKBXBFNOKG-UHFFFAOYSA-N 0 0 439.522 4.145 50 0 IIAARN CCc1cc2oc(=O)cc(COC(=O)c3cc(OC)c(OC)cc3OC)c2cc1Cl ZINC000032909997 556578377 /nfs/dbraw/zinc/57/83/77/556578377.db2.gz OHZUISSCNCWGCA-UHFFFAOYSA-N 0 0 432.856 4.392 50 0 IIAARN Nn1c(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)nnc1-c1cccs1 ZINC000016046162 556580206 /nfs/dbraw/zinc/58/02/06/556580206.db2.gz JGCSGGZBKWCHIU-UHFFFAOYSA-N 0 0 449.605 4.084 50 0 IIAARN COc1ccc(-c2noc(-c3snc(C(=O)NCc4ccccc4Cl)c3N)n2)cc1 ZINC000071328558 556583514 /nfs/dbraw/zinc/58/35/14/556583514.db2.gz HUUFBWJMJVUCRQ-UHFFFAOYSA-N 0 0 441.900 4.034 50 0 IIAARN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C[C@@H]2CCCC[C@@H]21 ZINC000034872000 556584810 /nfs/dbraw/zinc/58/48/10/556584810.db2.gz DGHPHMVBXBBHAA-HSQYWUDLSA-N 0 0 435.524 4.066 50 0 IIAARN COc1ccc(Br)c(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 ZINC000032912117 556585475 /nfs/dbraw/zinc/58/54/75/556585475.db2.gz HMKYIFHXOCOSMP-UHFFFAOYSA-N 0 0 428.330 4.314 50 0 IIAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1nncn1-c1ccccc1 ZINC000032912062 556585538 /nfs/dbraw/zinc/58/55/38/556585538.db2.gz MNPWEOFQIMSJSU-UHFFFAOYSA-N 0 0 434.503 4.358 50 0 IIAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032967375 556587658 /nfs/dbraw/zinc/58/76/58/556587658.db2.gz PUQAFZIXUNQPPQ-UHFFFAOYSA-N 0 0 432.973 4.206 50 0 IIAARN CCN1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2C1 ZINC000032969107 556587983 /nfs/dbraw/zinc/58/79/83/556587983.db2.gz NCHZXJPFYCWFMC-UHFFFAOYSA-N 0 0 430.537 4.021 50 0 IIAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000016194117 556589296 /nfs/dbraw/zinc/58/92/96/556589296.db2.gz SPUYEJGRCHXJGF-UHFFFAOYSA-N 0 0 446.503 4.141 50 0 IIAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1F ZINC000016213366 556591127 /nfs/dbraw/zinc/59/11/27/556591127.db2.gz ORLZIIVEWLGUKH-YBFXNURJSA-N 0 0 445.468 4.013 50 0 IIAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cccc(C)c2)n1 ZINC000036068308 556592232 /nfs/dbraw/zinc/59/22/32/556592232.db2.gz OOCFMNIOVHLNMQ-SFHVURJKSA-N 0 0 435.524 4.442 50 0 IIAARN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145870 556593881 /nfs/dbraw/zinc/59/38/81/556593881.db2.gz OAEOAMSQRAPKEH-RPBOFIJWSA-N 0 0 448.538 4.399 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000016263230 556595442 /nfs/dbraw/zinc/59/54/42/556595442.db2.gz BRVIKLHBSRSSNP-FQEVSTJZSA-N 0 0 446.334 4.337 50 0 IIAARN CCOc1cc2c(cc1NC(=O)Cc1csc(NC(=O)c3cccs3)n1)O[C@H](C)C2 ZINC000016303173 556599106 /nfs/dbraw/zinc/59/91/06/556599106.db2.gz DVPHDWVMTVBQOF-GFCCVEGCSA-N 0 0 443.550 4.360 50 0 IIAARN COC(=O)c1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016345445 556601010 /nfs/dbraw/zinc/60/10/10/556601010.db2.gz YGPSYWWZKAXEFT-UHFFFAOYSA-N 0 0 429.520 4.412 50 0 IIAARN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000016346681 556601599 /nfs/dbraw/zinc/60/15/99/556601599.db2.gz HCYLRKPOSGEQKG-UHFFFAOYSA-N 0 0 447.896 4.485 50 0 IIAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2OC)O3)cc1 ZINC000032983782 556602622 /nfs/dbraw/zinc/60/26/22/556602622.db2.gz RSELAIBNGURIBJ-BUVRLJJBSA-N 0 0 444.487 4.396 50 0 IIAARN O=C(Nc1cc(F)ccc1F)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000032985971 556605553 /nfs/dbraw/zinc/60/55/53/556605553.db2.gz MYFSODQBTOKFNI-UHFFFAOYSA-N 0 0 425.464 4.373 50 0 IIAARN C[C@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422289 556606384 /nfs/dbraw/zinc/60/63/84/556606384.db2.gz HRXNSDYAINCZOI-HNNXBMFYSA-N 0 0 440.897 4.143 50 0 IIAARN O=C(OCc1c(F)cccc1Cl)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000032986869 556606699 /nfs/dbraw/zinc/60/66/99/556606699.db2.gz RRSMDBDMZTWEFV-HXUWFJFHSA-N 0 0 446.887 4.239 50 0 IIAARN CCCCOC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000032986877 556606726 /nfs/dbraw/zinc/60/67/26/556606726.db2.gz HFEPDKHYOQGYLD-QGZVFWFLSA-N 0 0 428.432 4.065 50 0 IIAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2cc(C)ccc2OC)c3=O)cc1 ZINC000038652206 556615330 /nfs/dbraw/zinc/61/53/30/556615330.db2.gz VTYZRDQQDNZGCR-UHFFFAOYSA-N 0 0 435.505 4.089 50 0 IIAARN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000016575948 556616159 /nfs/dbraw/zinc/61/61/59/556616159.db2.gz KGVRCARJNUPQFC-UHFFFAOYSA-N 0 0 447.535 4.383 50 0 IIAARN CSCC[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc2ccccc2[nH]1 ZINC000016645810 556619769 /nfs/dbraw/zinc/61/97/69/556619769.db2.gz AKUVUZPPHSFWNU-SFHVURJKSA-N 0 0 442.610 4.087 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000009780414 556620968 /nfs/dbraw/zinc/62/09/68/556620968.db2.gz TZVMGQHYKZQKII-JBLDHEPKSA-N 0 0 434.871 4.167 50 0 IIAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000033748647 556629741 /nfs/dbraw/zinc/62/97/41/556629741.db2.gz MAIAZVDVDFDNIQ-UQYHUFHVSA-N 0 0 426.538 4.379 50 0 IIAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1N1CCOCC1 ZINC000016705693 556629801 /nfs/dbraw/zinc/62/98/01/556629801.db2.gz ROSMNELZOQGNJK-UHFFFAOYSA-N 0 0 443.956 4.393 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000097938714 556634992 /nfs/dbraw/zinc/63/49/92/556634992.db2.gz RZXWMJKYYSJAOA-HXUWFJFHSA-N 0 0 445.498 4.403 50 0 IIAARN COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 ZINC000037557365 556645282 /nfs/dbraw/zinc/64/52/82/556645282.db2.gz XLWVHCQTNQFXGS-UHFFFAOYSA-N 0 0 430.548 4.342 50 0 IIAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000016829216 556645295 /nfs/dbraw/zinc/64/52/95/556645295.db2.gz FQCDCNVSNQNDDY-VWLOTQADSA-N 0 0 430.548 4.231 50 0 IIAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000037602594 556646689 /nfs/dbraw/zinc/64/66/89/556646689.db2.gz GURODZFCDJOTGZ-RPWUZVMVSA-N 0 0 438.543 4.392 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726559 556647383 /nfs/dbraw/zinc/64/73/83/556647383.db2.gz AJBBIMVJOSTULY-INIZCTEOSA-N 0 0 449.601 4.010 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000038486974 556647660 /nfs/dbraw/zinc/64/76/60/556647660.db2.gz BGBADIGQMLBCCC-UHFFFAOYSA-N 0 0 428.521 4.392 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)c(C)c1 ZINC000011726720 556647903 /nfs/dbraw/zinc/64/79/03/556647903.db2.gz BCJKFDYRFLMZHC-UHFFFAOYSA-N 0 0 448.907 4.140 50 0 IIAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1 ZINC000038487487 556649634 /nfs/dbraw/zinc/64/96/34/556649634.db2.gz XNXMTQIJVQKDAD-UHFFFAOYSA-N 0 0 427.508 4.357 50 0 IIAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)ccc1O ZINC000016972407 556651774 /nfs/dbraw/zinc/65/17/74/556651774.db2.gz DEZRGUHYIKQMKN-HNNXBMFYSA-N 0 0 441.484 4.050 50 0 IIAARN CC(=O)c1cccc(NC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)c1 ZINC000032999234 556652952 /nfs/dbraw/zinc/65/29/52/556652952.db2.gz IQFRDBXDHACYKR-UHFFFAOYSA-N 0 0 446.482 4.175 50 0 IIAARN CC(C)OCCCn1c(S[C@@H](C)C(=O)N(C)C2CCCCC2)nc2ccccc2c1=O ZINC000011768639 556654190 /nfs/dbraw/zinc/65/41/90/556654190.db2.gz ISXMQMAESPAYGI-SFHVURJKSA-N 0 0 445.629 4.483 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(-c3csc4nc(C)cc(=O)n34)cc2)c(OC)c1 ZINC000011770882 556654434 /nfs/dbraw/zinc/65/44/34/556654434.db2.gz DKRNNEBIVWIYOX-UHFFFAOYSA-N 0 0 436.493 4.393 50 0 IIAARN CCc1c(C)sc2nc(SC[C@H](O)c3ccccc3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011772760 556655070 /nfs/dbraw/zinc/65/50/70/556655070.db2.gz DDAYHVWMDFXSBX-WMZOPIPTSA-N 0 0 430.595 4.334 50 0 IIAARN CCc1nc2cc(C(=O)N3CCCC[C@H]3C)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000011788753 556655313 /nfs/dbraw/zinc/65/53/13/556655313.db2.gz GHLFKVKEWNZMPE-MRXNPFEDSA-N 0 0 434.540 4.411 50 0 IIAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000248003484 556655629 /nfs/dbraw/zinc/65/56/29/556655629.db2.gz ONMZWYUHVBXCKD-UIAACRFSSA-N 0 0 430.342 4.391 50 0 IIAARN CC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(Br)cc3)cc2C)s1 ZINC000033007756 556656603 /nfs/dbraw/zinc/65/66/03/556656603.db2.gz WWWALMPRBFWVBE-UHFFFAOYSA-N 0 0 440.344 4.126 50 0 IIAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3n2)cc1C ZINC000017094373 556657642 /nfs/dbraw/zinc/65/76/42/556657642.db2.gz QNKXGQYITKWFLU-UHFFFAOYSA-N 0 0 425.414 4.357 50 0 IIAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033011975 556660515 /nfs/dbraw/zinc/66/05/15/556660515.db2.gz FRRDFMBKTZANHQ-OAHLLOKOSA-N 0 0 426.567 4.020 50 0 IIAARN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccnc1Cl ZINC000017097749 556662329 /nfs/dbraw/zinc/66/23/29/556662329.db2.gz JKKGLGFTPLIYBT-UHFFFAOYSA-N 0 0 431.949 4.273 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000017098606 556663468 /nfs/dbraw/zinc/66/34/68/556663468.db2.gz IUCRBKDKMRSVOS-HZPDHXFCSA-N 0 0 433.599 4.456 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2ccccc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013477 556664102 /nfs/dbraw/zinc/66/41/02/556664102.db2.gz ILNVHORMGZXYBL-UHFFFAOYSA-N 0 0 427.526 4.271 50 0 IIAARN Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000033014304 556664327 /nfs/dbraw/zinc/66/43/27/556664327.db2.gz AHPRJPDFGKFZBQ-UHFFFAOYSA-N 0 0 433.537 4.325 50 0 IIAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033014203 556664421 /nfs/dbraw/zinc/66/44/21/556664421.db2.gz PMWXSKWEJRSTJR-UHFFFAOYSA-N 0 0 441.944 4.098 50 0 IIAARN COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccccc4)cc3oc2=O)cc1OC ZINC000011865124 556664953 /nfs/dbraw/zinc/66/49/53/556664953.db2.gz YKWJWBCVGURURM-UHFFFAOYSA-N 0 0 438.457 4.245 50 0 IIAARN COC(=O)c1ccsc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017099640 556664985 /nfs/dbraw/zinc/66/49/85/556664985.db2.gz KNFHLXSQTJXTPX-UHFFFAOYSA-N 0 0 435.549 4.474 50 0 IIAARN S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000017101987 556666236 /nfs/dbraw/zinc/66/62/36/556666236.db2.gz YJARPFBXBDZKMP-UHFFFAOYSA-N 0 0 438.380 4.279 50 0 IIAARN COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)ccc1O ZINC000017113065 556668129 /nfs/dbraw/zinc/66/81/29/556668129.db2.gz HGXYTRUYGYANRP-GOSISDBHSA-N 0 0 441.491 4.134 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c1 ZINC000011907884 556672173 /nfs/dbraw/zinc/67/21/73/556672173.db2.gz YQXREFMGPRPYIX-UHFFFAOYSA-N 0 0 434.521 4.407 50 0 IIAARN COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000011913967 556672522 /nfs/dbraw/zinc/67/25/22/556672522.db2.gz SHXANJRWFZDLQK-CYBMUJFWSA-N 0 0 431.876 4.430 50 0 IIAARN COc1ccc2cc([C@@H]3SCC(=O)N3c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1 ZINC000017198166 556672857 /nfs/dbraw/zinc/67/28/57/556672857.db2.gz INWDQMBAKVXUEL-VWLOTQADSA-N 0 0 445.544 4.425 50 0 IIAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033019346 556675860 /nfs/dbraw/zinc/67/58/60/556675860.db2.gz FBGLKFCDBPZFCP-DEOSSOPVSA-N 0 0 436.577 4.178 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325835 556680352 /nfs/dbraw/zinc/68/03/52/556680352.db2.gz YOAABRZWBKSYGU-LJQANCHMSA-N 0 0 443.956 4.432 50 0 IIAARN CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Br)c4ccccc43)C2=O)cc1 ZINC000000666594 556681979 /nfs/dbraw/zinc/68/19/79/556681979.db2.gz MKYSFDVPZLYKMZ-QGOAFFKASA-N 0 0 436.309 4.130 50 0 IIAARN CCCCn1c2nc(-c3ccc(-c4ccc(F)cc4)o3)n(Cc3ccco3)c2c(=O)[nH]c1=O ZINC000013525883 556684345 /nfs/dbraw/zinc/68/43/45/556684345.db2.gz DMFAVSVVKXIWJA-UHFFFAOYSA-N 0 0 448.454 4.394 50 0 IIAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000018148864 556684927 /nfs/dbraw/zinc/68/49/27/556684927.db2.gz QIOJSOVFWYRGAU-SZPZYZBQSA-N 0 0 433.485 4.063 50 0 IIAARN Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc(Br)cc3)nn21 ZINC000227143473 556685647 /nfs/dbraw/zinc/68/56/47/556685647.db2.gz YKLDADKATHBGJI-UHFFFAOYSA-N 0 0 441.314 4.150 50 0 IIAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCc1cccnc1 ZINC000046006340 556690372 /nfs/dbraw/zinc/69/03/72/556690372.db2.gz TZTSXRIESHFYCV-UHFFFAOYSA-N 0 0 447.514 4.219 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 ZINC000046023827 556691128 /nfs/dbraw/zinc/69/11/28/556691128.db2.gz GKYXKDMAQZXOAN-UHFFFAOYSA-N 0 0 433.899 4.445 50 0 IIAARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cccc(OC)c2OC)C1=O ZINC000001177223 556691182 /nfs/dbraw/zinc/69/11/82/556691182.db2.gz SIRSXDFKWXTFSZ-QGOAFFKASA-N 0 0 441.505 4.256 50 0 IIAARN O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010644016 556691404 /nfs/dbraw/zinc/69/14/04/556691404.db2.gz ZCFFERCXUGOJTA-TZIWHRDSSA-N 0 0 436.943 4.016 50 0 IIAARN CC(C)Oc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)cc1 ZINC000033023081 556691419 /nfs/dbraw/zinc/69/14/19/556691419.db2.gz SJXORSMIMMZOGK-UHFFFAOYSA-N 0 0 436.537 4.385 50 0 IIAARN Cc1c(C(=O)N[C@H](c2ccc(Br)cc2)[C@@H](C)CO)cnn1-c1ccccc1 ZINC000253433228 556697566 /nfs/dbraw/zinc/69/75/66/556697566.db2.gz UGZILRZQMSHNLC-XOBRGWDASA-N 0 0 428.330 4.043 50 0 IIAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137628921 556697805 /nfs/dbraw/zinc/69/78/05/556697805.db2.gz NGTLWSVKRQPSLZ-RBZQAINGSA-N 0 0 428.488 4.445 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000137914415 556698998 /nfs/dbraw/zinc/69/89/98/556698998.db2.gz DDTYIZYWMBBEOU-RBZQAINGSA-N 0 0 428.488 4.363 50 0 IIAARN COc1ccc(NC(=O)COc2cc(C)nc(N3CCc4ccccc4C3)n2)cc1Cl ZINC000048986180 556702931 /nfs/dbraw/zinc/70/29/31/556702931.db2.gz WKKIHFBUGSUTMC-UHFFFAOYSA-N 0 0 438.915 4.027 50 0 IIAARN O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000060333866 556706160 /nfs/dbraw/zinc/70/61/60/556706160.db2.gz VJCGNHNNTNWQMH-HXUWFJFHSA-N 0 0 432.451 4.282 50 0 IIAARN O=c1ccc(-c2ccc(F)cc2)nn1C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000060333867 556706179 /nfs/dbraw/zinc/70/61/79/556706179.db2.gz VJCGNHNNTNWQMH-FQEVSTJZSA-N 0 0 432.451 4.282 50 0 IIAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 ZINC000013657037 556708267 /nfs/dbraw/zinc/70/82/67/556708267.db2.gz VXWQXFRZQOJUIM-UHFFFAOYSA-N 0 0 432.590 4.368 50 0 IIAARN O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027941 556708423 /nfs/dbraw/zinc/70/84/23/556708423.db2.gz KBYOQURIJAJNRI-UHFFFAOYSA-N 0 0 444.516 4.299 50 0 IIAARN CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2Cl)n1 ZINC000036065758 556710503 /nfs/dbraw/zinc/71/05/03/556710503.db2.gz LXRLDAWYZLSWQS-UHFFFAOYSA-N 0 0 427.888 4.009 50 0 IIAARN CSc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031810 556712550 /nfs/dbraw/zinc/71/25/50/556712550.db2.gz FMCCXSFWKUTUEI-UHFFFAOYSA-N 0 0 437.540 4.254 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032254 556712753 /nfs/dbraw/zinc/71/27/53/556712753.db2.gz FHAUTUIWECSRDQ-ZDUSSCGKSA-N 0 0 428.489 4.037 50 0 IIAARN CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)cc3)cnc3cc4c(cc32)OCO4)CC1 ZINC000036102756 556719901 /nfs/dbraw/zinc/71/99/01/556719901.db2.gz IFAFMYPKOYTBIX-UHFFFAOYSA-N 0 0 446.503 4.282 50 0 IIAARN Cc1cc(C)cc(S(=O)(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038285 556724985 /nfs/dbraw/zinc/72/49/85/556724985.db2.gz YGJQZWPDJBPVSZ-UHFFFAOYSA-N 0 0 447.560 4.494 50 0 IIAARN Cn1c(=O)c2c(n(C)c1=O)NC(CCc1ccccc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000013749381 556725528 /nfs/dbraw/zinc/72/55/28/556725528.db2.gz IRUTUYXRWYTUMI-UHFFFAOYSA-N 0 0 434.340 4.060 50 0 IIAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000013786454 556731665 /nfs/dbraw/zinc/73/16/65/556731665.db2.gz DUYAXVBOOQOMAS-JKJZWWNGSA-N 0 0 444.487 4.276 50 0 IIAARN COC(=O)c1sc2nc(CN3CCOc4ccccc4C3)ccc2c1NC(=O)C(C)C ZINC000055052703 556732769 /nfs/dbraw/zinc/73/27/69/556732769.db2.gz XDZKLRAPGWYLJH-UHFFFAOYSA-N 0 0 439.537 4.072 50 0 IIAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000019316457 556735842 /nfs/dbraw/zinc/73/58/42/556735842.db2.gz VLWINBVVYQSMCZ-IBGZPJMESA-N 0 0 437.565 4.090 50 0 IIAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000079057039 556738129 /nfs/dbraw/zinc/73/81/29/556738129.db2.gz FMCYLDHXJIJZKH-UHFFFAOYSA-N 0 0 433.890 4.390 50 0 IIAARN CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2 ZINC000019338322 556739082 /nfs/dbraw/zinc/73/90/82/556739082.db2.gz CQIURCSQCDFSBD-UHFFFAOYSA-N 0 0 437.540 4.129 50 0 biogenic IIAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)C2=O)cc1 ZINC000019353762 556744948 /nfs/dbraw/zinc/74/49/48/556744948.db2.gz RRJCHRRHABWOJM-PPHZAIPVSA-N 0 0 447.579 4.233 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000072333024 556749390 /nfs/dbraw/zinc/74/93/90/556749390.db2.gz QYSSDIQUNGMVAD-INIZCTEOSA-N 0 0 431.279 4.388 50 0 IIAARN Cc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000072333029 556749397 /nfs/dbraw/zinc/74/93/97/556749397.db2.gz CMRGMMBEMKHCTH-QGZVFWFLSA-N 0 0 425.286 4.143 50 0 IIAARN CSc1cccc(N2CN=C3S[C@@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1 ZINC000072333630 556749918 /nfs/dbraw/zinc/74/99/18/556749918.db2.gz CUDLRAHVBFUCME-IBGZPJMESA-N 0 0 440.594 4.089 50 0 IIAARN Cc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000057986178 556750486 /nfs/dbraw/zinc/75/04/86/556750486.db2.gz CCXBVXQCSDMHCH-UHFFFAOYSA-N 0 0 425.558 4.090 50 0 IIAARN O=C(c1[nH]c2ccccc2c1Cl)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000057990912 556750625 /nfs/dbraw/zinc/75/06/25/556750625.db2.gz FHVYFLFEQOBCRT-UHFFFAOYSA-N 0 0 435.833 4.438 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)c(Br)c3ccccc31)CC2 ZINC000057992764 556751213 /nfs/dbraw/zinc/75/12/13/556751213.db2.gz BWDHEHAVBMSMRF-UHFFFAOYSA-N 0 0 443.341 4.314 50 0 IIAARN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Cl)c(OCC)c(OC)c3)cc2)n1 ZINC000058014852 556753674 /nfs/dbraw/zinc/75/36/74/556753674.db2.gz COFSEUUUZOAOAW-UHFFFAOYSA-N 0 0 443.887 4.362 50 0 IIAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038485 556755186 /nfs/dbraw/zinc/75/51/86/556755186.db2.gz PEZKOVHEASIWQS-NRFANRHFSA-N 0 0 427.932 4.033 50 0 IIAARN CCCCc1nc(C)c(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)s1 ZINC000058101247 556758300 /nfs/dbraw/zinc/75/83/00/556758300.db2.gz VVBIEBOMQCFZAX-UHFFFAOYSA-N 0 0 425.598 4.231 50 0 IIAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000058140152 556760981 /nfs/dbraw/zinc/76/09/81/556760981.db2.gz MVFVJCQDNDBROR-UHFFFAOYSA-N 0 0 439.972 4.042 50 0 IIAARN CC[C@H](C)NC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000002489051 556761558 /nfs/dbraw/zinc/76/15/58/556761558.db2.gz DSVVOYDNQGCQAP-NSHDSACASA-N 0 0 427.448 4.288 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158482 556763556 /nfs/dbraw/zinc/76/35/56/556763556.db2.gz JLUXUVAUKJDZLP-CQSZACIVSA-N 0 0 439.317 4.273 50 0 IIAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cc(OC)c(OC)c(OC)c1)CO3 ZINC000061997704 556764067 /nfs/dbraw/zinc/76/40/67/556764067.db2.gz AXDOQJAOLHXYNC-UHFFFAOYSA-N 0 0 439.508 4.432 50 0 biogenic IIAARN O=C(NCCCn1ccc2ccccc21)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000058161478 556765126 /nfs/dbraw/zinc/76/51/26/556765126.db2.gz KCAFKLHPIYBRPR-UHFFFAOYSA-N 0 0 448.611 4.102 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000058166489 556766829 /nfs/dbraw/zinc/76/68/29/556766829.db2.gz XKESFJMTYGBTKX-UEXGIBASSA-N 0 0 442.535 4.047 50 0 IIAARN Cc1ccn2cc(CNC(=O)NCC3(c4ccc(Cl)cc4Cl)CCOCC3)nc2c1 ZINC000058167417 556766989 /nfs/dbraw/zinc/76/69/89/556766989.db2.gz WTTJJNWZMOWQTA-UHFFFAOYSA-N 0 0 447.366 4.497 50 0 IIAARN COC(=O)N1CCCN(C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CC1 ZINC000058177827 556769705 /nfs/dbraw/zinc/76/97/05/556769705.db2.gz GSBSNDWXRWQWQV-UHFFFAOYSA-N 0 0 446.960 4.022 50 0 IIAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000058194450 556770549 /nfs/dbraw/zinc/77/05/49/556770549.db2.gz ZFVAPXZRLURJMJ-UHFFFAOYSA-N 0 0 437.352 4.347 50 0 IIAARN Cc1cc(C)n2ncc(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)c2n1 ZINC000058209520 556772015 /nfs/dbraw/zinc/77/20/15/556772015.db2.gz FYHWUWCCXWKSSJ-UHFFFAOYSA-N 0 0 432.505 4.293 50 0 IIAARN O=C(Nc1ccc(-n2cccn2)c(F)c1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000058251488 556775770 /nfs/dbraw/zinc/77/57/70/556775770.db2.gz VKWUKMNNYSDERC-UHFFFAOYSA-N 0 0 428.414 4.416 50 0 IIAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2coc(-c3ccccc3Cl)n2)C1=O ZINC000058367788 556783136 /nfs/dbraw/zinc/78/31/36/556783136.db2.gz IPJDUKHTIGZWIA-JOCHJYFZSA-N 0 0 425.872 4.361 50 0 IIAARN C[C@@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000058391903 556784757 /nfs/dbraw/zinc/78/47/57/556784757.db2.gz LZXJSHWZCKOJLM-OAHLLOKOSA-N 0 0 444.553 4.232 50 0 IIAARN CC(=O)N(c1nc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cs1)c1ccc(C)c(C)c1 ZINC000058434931 556788420 /nfs/dbraw/zinc/78/84/20/556788420.db2.gz VCUAQCPEWIFARG-UHFFFAOYSA-N 0 0 447.564 4.313 50 0 IIAARN O=C(CSCc1cc(Cl)cc2c1OCOC2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000058692092 556791245 /nfs/dbraw/zinc/79/12/45/556791245.db2.gz FWWORUIZCGQGCV-UHFFFAOYSA-N 0 0 429.828 4.400 50 0 IIAARN CCS(=O)(=O)c1ccccc1C(=O)OCCc1cc2cc(Br)ccc2o1 ZINC000058908137 556792784 /nfs/dbraw/zinc/79/27/84/556792784.db2.gz OVPWLJJKTLVTQY-UHFFFAOYSA-N 0 0 437.311 4.388 50 0 IIAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000059280879 556797057 /nfs/dbraw/zinc/79/70/57/556797057.db2.gz ZXLKJGIRMFFTTP-UHFFFAOYSA-N 0 0 432.517 4.390 50 0 IIAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000002361803 556799307 /nfs/dbraw/zinc/79/93/07/556799307.db2.gz YBNUKOADDJJAAV-QNGOZBTKSA-N 0 0 435.549 4.252 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc2ccccc2c1 ZINC000002642334 556801946 /nfs/dbraw/zinc/80/19/46/556801946.db2.gz HVLMXKCXHKPPJP-UHFFFAOYSA-N 0 0 439.489 4.385 50 0 IIAARN CCOC(=O)C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000060104817 556806548 /nfs/dbraw/zinc/80/65/48/556806548.db2.gz UXDOEQWDNAHQIH-DNQXCXABSA-N 0 0 444.531 4.359 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)COc1ncnc3ccccc31)C[C@H](C)CC2 ZINC000003266661 556807584 /nfs/dbraw/zinc/80/75/84/556807584.db2.gz JMABDRPYFRMQBV-CYBMUJFWSA-N 0 0 425.510 4.010 50 0 IIAARN Cc1c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003316664 556809961 /nfs/dbraw/zinc/80/99/61/556809961.db2.gz VKEPHMULYHZHLP-UHFFFAOYSA-N 0 0 432.505 4.051 50 0 IIAARN O=C(OCCOc1ccc(Br)cc1)c1ccc(I)cc1 ZINC000003294573 556811011 /nfs/dbraw/zinc/81/10/11/556811011.db2.gz IQQRTSBBSBHZLE-UHFFFAOYSA-N 0 0 447.066 4.290 50 0 IIAARN O=C(CNC(=O)c1ccccc1F)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000003363762 556811761 /nfs/dbraw/zinc/81/17/61/556811761.db2.gz RGFIYQGALSIBIC-DEOSSOPVSA-N 0 0 430.435 4.204 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000003393059 556814049 /nfs/dbraw/zinc/81/40/49/556814049.db2.gz ASTACZMWJBSNHV-JTQLQIEISA-N 0 0 428.268 4.203 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccc(SCc2cc(=O)n3c(ncn3CC(C)C)n2)cc1 ZINC000021797803 556815667 /nfs/dbraw/zinc/81/56/67/556815667.db2.gz CPNDGIWGDUPIRR-UHFFFAOYSA-N 0 0 447.564 4.400 50 0 IIAARN COc1cc(C=C2C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc(Br)c1O ZINC000003864103 556818404 /nfs/dbraw/zinc/81/84/04/556818404.db2.gz LZTSSQPOQPPQPD-LZYBPNLTSA-N 0 0 429.270 4.172 50 0 IIAARN CCOc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1 ZINC000033067795 556819831 /nfs/dbraw/zinc/81/98/31/556819831.db2.gz IBENXSUMVNAVLD-UHFFFAOYSA-N 0 0 430.464 4.316 50 0 IIAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)Nc4ccc(C)c(C)c4)nnc3c2=O)c1 ZINC000064591504 556825197 /nfs/dbraw/zinc/82/51/97/556825197.db2.gz PLTSQTLNUHOMQO-UHFFFAOYSA-N 0 0 429.524 4.075 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1OC ZINC000064949553 556829413 /nfs/dbraw/zinc/82/94/13/556829413.db2.gz XRDPQAIAEGPZRP-UHFFFAOYSA-N 0 0 426.432 4.120 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc43)n2)cc1OC ZINC000064949611 556829451 /nfs/dbraw/zinc/82/94/51/556829451.db2.gz DMBIJJCGJJHMJD-UHFFFAOYSA-N 0 0 440.459 4.428 50 0 IIAARN CC(C)CCNC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958882 556829987 /nfs/dbraw/zinc/82/99/87/556829987.db2.gz YJUMHIVCZLYMGL-KRWDZBQOSA-N 0 0 425.964 4.428 50 0 IIAARN CCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000065003182 556831510 /nfs/dbraw/zinc/83/15/10/556831510.db2.gz FXMAPCYXAWOMPE-UHFFFAOYSA-N 0 0 434.561 4.321 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000065003222 556831519 /nfs/dbraw/zinc/83/15/19/556831519.db2.gz BOPOYHMNGDNPAJ-UHFFFAOYSA-N 0 0 432.954 4.083 50 0 IIAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cc(OC)c(OC)cc2C)[C@@H]1c1ccc(OC)cc1 ZINC000019627297 556831902 /nfs/dbraw/zinc/83/19/02/556831902.db2.gz PYZKVORSSGYYTD-DVECYGJZSA-N 0 0 440.540 4.349 50 0 IIAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C)[C@@H]1c1ccc(OC)cc1 ZINC000019627291 556831975 /nfs/dbraw/zinc/83/19/75/556831975.db2.gz PYZKVORSSGYYTD-CYFREDJKSA-N 0 0 440.540 4.349 50 0 IIAARN O=S(=O)(c1cccc2cccnc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019638859 556836658 /nfs/dbraw/zinc/83/66/58/556836658.db2.gz YLZHPQXNSZDDIV-UHFFFAOYSA-N 0 0 443.572 4.331 50 0 IIAARN CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)[C@@H](C)CC)nc1C(F)(F)F ZINC000019640449 556837139 /nfs/dbraw/zinc/83/71/39/556837139.db2.gz UDVVZKBZXCDPKV-FBOQAHMBSA-N 0 0 444.479 4.225 50 0 IIAARN O=C(CCc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997469 556838585 /nfs/dbraw/zinc/83/85/85/556838585.db2.gz FIZHSUKYTIMMLX-UHFFFAOYSA-N 0 0 427.545 4.124 50 0 IIAARN CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)C3CCCCC3)nc21 ZINC000022997398 556839426 /nfs/dbraw/zinc/83/94/26/556839426.db2.gz APKIIILLODUXCE-UHFFFAOYSA-N 0 0 431.602 4.331 50 0 IIAARN O=C(CSc1ccccc1)N(CCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022998605 556841013 /nfs/dbraw/zinc/84/10/13/556841013.db2.gz SVCPUODGGGTVHT-UHFFFAOYSA-N 0 0 449.548 4.032 50 0 IIAARN CCOC(=O)c1cc(O[C@H](C)C(=O)Nc2ccccc2SC)cc(C(=O)OCC)c1 ZINC000011212126 556842338 /nfs/dbraw/zinc/84/23/38/556842338.db2.gz BHJBGTHXWLRNCJ-CQSZACIVSA-N 0 0 431.510 4.168 50 0 IIAARN Cc1ccc2nc(COC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc(=O)n2c1 ZINC000008777148 556846174 /nfs/dbraw/zinc/84/61/74/556846174.db2.gz GZDLWQLXJMRUCT-UHFFFAOYSA-N 0 0 442.500 4.274 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000008882619 556850820 /nfs/dbraw/zinc/85/08/20/556850820.db2.gz BGLYROHONNUVFT-UHFFFAOYSA-N 0 0 437.521 4.014 50 0 IIAARN Nn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 ZINC000008897852 556851058 /nfs/dbraw/zinc/85/10/58/556851058.db2.gz IUOZDXUZOWOFLA-MRXNPFEDSA-N 0 0 433.459 4.360 50 0 IIAARN O=C(CSc1ncnc2sccc21)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008897623 556851114 /nfs/dbraw/zinc/85/11/14/556851114.db2.gz MLHMFHRPQLLJSL-UHFFFAOYSA-N 0 0 448.573 4.395 50 0 IIAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 ZINC000033071381 556852059 /nfs/dbraw/zinc/85/20/59/556852059.db2.gz QMJSRRUACBZOIE-QGZVFWFLSA-N 0 0 441.373 4.421 50 0 IIAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC5CCCCCC5)CC4)c32)cc1 ZINC000033084838 556855177 /nfs/dbraw/zinc/85/51/77/556855177.db2.gz OKLDOOQUDAXJEO-UHFFFAOYSA-N 0 0 449.555 4.349 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033106819 556859440 /nfs/dbraw/zinc/85/94/40/556859440.db2.gz HHPFEEHJZDDRNG-CQSZACIVSA-N 0 0 425.489 4.341 50 0 IIAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)NC3CCCC3)C2)s1 ZINC000033113179 556859676 /nfs/dbraw/zinc/85/96/76/556859676.db2.gz PCBXEIKFJZQOOM-CYBMUJFWSA-N 0 0 433.965 4.275 50 0 IIAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)s1 ZINC000033113549 556860345 /nfs/dbraw/zinc/86/03/45/556860345.db2.gz FILLSDHDFAERQR-CYBMUJFWSA-N 0 0 443.479 4.480 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC000033114218 556860941 /nfs/dbraw/zinc/86/09/41/556860941.db2.gz STZJEYBBJFYBHK-UHFFFAOYSA-N 0 0 440.500 4.181 50 0 IIAARN CCCn1c(=O)c2c(nc1SCC(=O)NC1CCCCC1)c(-c1ccccc1)cn2C ZINC000033114479 556861452 /nfs/dbraw/zinc/86/14/52/556861452.db2.gz FDVLCLVSVQFEAO-UHFFFAOYSA-N 0 0 438.597 4.353 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3cccc(F)c3)ccc2=O)cc1Cl ZINC000033128255 556865282 /nfs/dbraw/zinc/86/52/82/556865282.db2.gz AADKHZLEYTWUDW-AWEZNQCLSA-N 0 0 431.920 4.130 50 0 IIAARN COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128232 556865292 /nfs/dbraw/zinc/86/52/92/556865292.db2.gz PLFCBGBDPYWNEZ-CQSZACIVSA-N 0 0 429.929 4.322 50 0 IIAARN Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCC4)cc3)n2)c1 ZINC000033128788 556865814 /nfs/dbraw/zinc/86/58/14/556865814.db2.gz WGTISBWYUVZEEA-UHFFFAOYSA-N 0 0 447.539 4.424 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000033126050 556866716 /nfs/dbraw/zinc/86/67/16/556866716.db2.gz VDUYYTOZJPRDPV-UHFFFAOYSA-N 0 0 449.661 4.308 50 0 IIAARN COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1 ZINC000033130334 556870389 /nfs/dbraw/zinc/87/03/89/556870389.db2.gz QJAIOJJPMSTDML-UHFFFAOYSA-N 0 0 438.549 4.229 50 0 IIAARN COc1cc(C(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc(OC)c1OC ZINC000033139568 556874679 /nfs/dbraw/zinc/87/46/79/556874679.db2.gz NEJIDEXNIQEYIO-UHFFFAOYSA-N 0 0 437.496 4.091 50 0 IIAARN CCOc1cc(-c2nn3c(CN4CCCCC4)nnc3s2)cc(OCC)c1OCC ZINC000071260526 556879328 /nfs/dbraw/zinc/87/93/28/556879328.db2.gz LOOBLTBASPJVBY-UHFFFAOYSA-N 0 0 431.562 4.035 50 0 IIAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(C(C)(C)C)cc4)o3)CC2=O)cc1 ZINC000033169758 556884954 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50 0 IIAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000033258233 556895963 /nfs/dbraw/zinc/89/59/63/556895963.db2.gz OBHVYGCVZJZYRS-UHFFFAOYSA-N 0 0 433.512 4.367 50 0 IIAARN CCNC(=O)N1CCN(c2ccc(-c3noc(/C=C/c4ccccc4Cl)n3)cc2)CC1 ZINC000033258359 556896077 /nfs/dbraw/zinc/89/60/77/556896077.db2.gz YANOUQMPXCPKJR-FMIVXFBMSA-N 0 0 437.931 4.412 50 0 IIAARN COc1cccc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1OC ZINC000019831702 556926792 /nfs/dbraw/zinc/92/67/92/556926792.db2.gz KSOZTTNXJBOXNG-UHFFFAOYSA-N 0 0 430.548 4.180 50 0 IIAARN Cc1ccoc1C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000019852849 556930933 /nfs/dbraw/zinc/93/09/33/556930933.db2.gz JZXJBGJRPDQMAS-UHFFFAOYSA-N 0 0 432.520 4.244 50 0 IIAARN O=C(N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1F ZINC000019891613 556939450 /nfs/dbraw/zinc/93/94/50/556939450.db2.gz XUDBPQQQXDMIEI-CQSZACIVSA-N 0 0 438.714 4.378 50 0 IIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000020033230 556969080 /nfs/dbraw/zinc/96/90/80/556969080.db2.gz ZMTHQTUJRUFQPI-VWLOTQADSA-N 0 0 447.510 4.438 50 0 IIAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000033264783 556974874 /nfs/dbraw/zinc/97/48/74/556974874.db2.gz XUZYSCDFNXJRLN-UHFFFAOYSA-N 0 0 430.483 4.376 50 0 IIAARN Cn1cc2nc(SCc3cccc(Br)c3)n(Cc3ccccc3)c(=O)c2n1 ZINC000033265278 556975224 /nfs/dbraw/zinc/97/52/24/556975224.db2.gz PYQFRAHDXYYSOB-UHFFFAOYSA-N 0 0 441.354 4.233 50 0 IIAARN NC(=O)CN(Cc1ccccc1)c1cccc(NCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000097020077 556978985 /nfs/dbraw/zinc/97/89/85/556978985.db2.gz WGBLWMZMJLKSJX-UHFFFAOYSA-N 0 0 447.489 4.459 50 0 IIAARN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cc(-c2cccs2)nc2ccccc21 ZINC000097016074 556979223 /nfs/dbraw/zinc/97/92/23/556979223.db2.gz GKYQSJRYCHZANU-MRXNPFEDSA-N 0 0 428.517 4.003 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095490 556979499 /nfs/dbraw/zinc/97/94/99/556979499.db2.gz WKRZNLOSNFFLCR-NRFANRHFSA-N 0 0 445.519 4.150 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557001226 /nfs/dbraw/zinc/00/12/26/557001226.db2.gz AULWEAKVWCLXGL-JOCHJYFZSA-N 0 0 439.353 4.406 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(F)cc2)c2ccccc23)cc1 ZINC000020356020 557010224 /nfs/dbraw/zinc/01/02/24/557010224.db2.gz JHCZKIGHJAQMBO-UHFFFAOYSA-N 0 0 433.468 4.301 50 0 IIAARN C[C@@H]1CN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)C[C@@H](C)O1 ZINC000020403562 557013313 /nfs/dbraw/zinc/01/33/13/557013313.db2.gz CXSCUVVCGGBIJB-HUUCEWRRSA-N 0 0 426.900 4.161 50 0 IIAARN CCc1ccc(-n2nc(C)c3c2nc(OCc2cc(=O)n4ccccc4n2)cc3C)cc1 ZINC000045995582 557015423 /nfs/dbraw/zinc/01/54/23/557015423.db2.gz FZMRMYRXPWGVQF-UHFFFAOYSA-N 0 0 425.492 4.187 50 0 IIAARN CN1CCc2c(sc3nc(SCC(=O)Nc4cccc5ccccc54)nc(N)c23)C1 ZINC000020436021 557016583 /nfs/dbraw/zinc/01/65/83/557016583.db2.gz CUMMVORZZINDJT-UHFFFAOYSA-N 0 0 435.578 4.145 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045991990 557017666 /nfs/dbraw/zinc/01/76/66/557017666.db2.gz ZBDNGDJOVLNAJO-KRWDZBQOSA-N 0 0 430.508 4.036 50 0 IIAARN COc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)Cc3ccccc3)n2)cc1C ZINC000010686929 557017979 /nfs/dbraw/zinc/01/79/79/557017979.db2.gz IMNQKYVQYGIKRP-UHFFFAOYSA-N 0 0 444.578 4.461 50 0 IIAARN CCCc1noc(-c2cc(S(=O)(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc2OC)n1 ZINC000046020240 557021068 /nfs/dbraw/zinc/02/10/68/557021068.db2.gz OUSCVKBLKMQABT-ZDUSSCGKSA-N 0 0 435.933 4.391 50 0 IIAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCCCc1ccccc1 ZINC000023138295 557021257 /nfs/dbraw/zinc/02/12/57/557021257.db2.gz DCXRAXLVPMDNHR-UHFFFAOYSA-N 0 0 427.957 4.419 50 0 IIAARN CC(=O)c1cccc(NC(=O)Cc2c(C)nc(SCc3cccc(Cl)c3)[nH]c2=O)c1 ZINC000023138589 557021620 /nfs/dbraw/zinc/02/16/20/557021620.db2.gz GNHJLUSRDUYSKG-UHFFFAOYSA-N 0 0 441.940 4.408 50 0 IIAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6ccccc6F)CC5)n3n2)CCCC4)cc1 ZINC000046022833 557022601 /nfs/dbraw/zinc/02/26/01/557022601.db2.gz DVUZBPOCXNTDJK-UHFFFAOYSA-N 0 0 442.542 4.444 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1 ZINC000032944030 557022732 /nfs/dbraw/zinc/02/27/32/557022732.db2.gz IOVMMUMOFCRLLX-CQSZACIVSA-N 0 0 432.567 4.123 50 0 IIAARN CC[C@@H](C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2)c1ccccc1 ZINC000023139510 557024359 /nfs/dbraw/zinc/02/43/59/557024359.db2.gz MNGHBGMACVNGJZ-LJQANCHMSA-N 0 0 434.565 4.079 50 0 IIAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4cccc(Cl)c4)s3)cc(=O)n2c1 ZINC000046031611 557024399 /nfs/dbraw/zinc/02/43/99/557024399.db2.gz HTHLCGRQGAAQAH-UHFFFAOYSA-N 0 0 443.941 4.052 50 0 IIAARN COc1ccc(CC(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)cc1OC ZINC000023143865 557025630 /nfs/dbraw/zinc/02/56/30/557025630.db2.gz ZPGMRPNLTIRWMK-UHFFFAOYSA-N 0 0 447.466 4.032 50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)c12 ZINC000010775039 557025847 /nfs/dbraw/zinc/02/58/47/557025847.db2.gz XIDIQRNZVAOJPF-CQSZACIVSA-N 0 0 449.898 4.176 50 0 IIAARN COc1cccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000046047984 557026259 /nfs/dbraw/zinc/02/62/59/557026259.db2.gz ZLHOJAUPXRJJFU-UHFFFAOYSA-N 0 0 439.855 4.089 50 0 IIAARN COC(=O)c1ccc(C(=O)N(CCn2cccn2)c2nc3c(cc(C)cc3C)s2)cc1 ZINC000023144856 557026565 /nfs/dbraw/zinc/02/65/65/557026565.db2.gz DJIRIZJRKRYOAA-UHFFFAOYSA-N 0 0 434.521 4.243 50 0 IIAARN CC(C)=C1c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N(C)C1=O ZINC000046053926 557027390 /nfs/dbraw/zinc/02/73/90/557027390.db2.gz AFJIPFMIJLAMEW-UHFFFAOYSA-N 0 0 426.416 4.156 50 0 IIAARN CCc1ccc(CNC(=O)[C@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000032945113 557028328 /nfs/dbraw/zinc/02/83/28/557028328.db2.gz BYJZUOJHIJDPOI-HNNXBMFYSA-N 0 0 431.458 4.472 50 0 IIAARN CCCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000010806821 557029043 /nfs/dbraw/zinc/02/90/43/557029043.db2.gz XYTXZPJFZMFOOS-AWEZNQCLSA-N 0 0 443.910 4.248 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057656 557029098 /nfs/dbraw/zinc/02/90/98/557029098.db2.gz NGSQCWPIBNPZHB-MRXNPFEDSA-N 0 0 428.261 4.391 50 0 IIAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000011279494 557034085 /nfs/dbraw/zinc/03/40/85/557034085.db2.gz GZJZDUGMDVKSHY-DENIHFKCSA-N 0 0 448.350 4.274 50 0 IIAARN O=C(Cc1cccs1)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123468 557037092 /nfs/dbraw/zinc/03/70/92/557037092.db2.gz SIIYAKFNDLGAJI-CYBMUJFWSA-N 0 0 446.985 4.454 50 0 IIAARN CC(C)c1ccc(CN2CCN(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000022919580 557046713 /nfs/dbraw/zinc/04/67/13/557046713.db2.gz PODGRQAGQDRNKE-UHFFFAOYSA-N 0 0 441.444 4.262 50 0 IIAARN CC[C@@H](C(=O)N1CCN(c2nc(C)cc(Nc3ccc(OC)cc3)n2)CC1)c1ccccc1 ZINC000017269082 557048125 /nfs/dbraw/zinc/04/81/25/557048125.db2.gz HCPDRBRPHXNLCF-HSZRJFAPSA-N 0 0 445.567 4.380 50 0 IIAARN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000048262081 557049495 /nfs/dbraw/zinc/04/94/95/557049495.db2.gz NDFXRDOLMZBSKB-KRWDZBQOSA-N 0 0 439.512 4.243 50 0 IIAARN COc1ccc(OC)c(CN2CCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)c1 ZINC000022931200 557050044 /nfs/dbraw/zinc/05/00/44/557050044.db2.gz QIIVRJZMXFBBHJ-SANMLTNESA-N 0 0 445.563 4.201 50 0 IIAARN C[C@@H](c1ccc(Cl)cc1)N(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000048265002 557050607 /nfs/dbraw/zinc/05/06/07/557050607.db2.gz JFYQEZTZXXDJCX-LBPRGKRZSA-N 0 0 449.928 4.251 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nccn1-c1cc(C)ccc1OC ZINC000017306721 557052278 /nfs/dbraw/zinc/05/22/78/557052278.db2.gz XMTCHUKZCZGGNQ-UHFFFAOYSA-N 0 0 425.510 4.097 50 0 IIAARN Cc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3ccc(F)cc3F)s2)CC1 ZINC000033272985 557053259 /nfs/dbraw/zinc/05/32/59/557053259.db2.gz RNFOWICAMJCIKA-UHFFFAOYSA-N 0 0 442.491 4.397 50 0 IIAARN O=C(c1cc2ccccc2cc1O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000048289470 557054821 /nfs/dbraw/zinc/05/48/21/557054821.db2.gz LRPDMVUNTKLLDQ-UHFFFAOYSA-N 0 0 428.410 4.162 50 0 IIAARN CC(=O)Nc1ccc2nc(NC(=O)c3cc(C)nc4c3nc3n4CCCCC3)sc2c1 ZINC000022992264 557056442 /nfs/dbraw/zinc/05/64/42/557056442.db2.gz BEPWLDWHWMAFNC-UHFFFAOYSA-N 0 0 434.525 4.287 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023005064 557057206 /nfs/dbraw/zinc/05/72/06/557057206.db2.gz XAEAHIUGXIYIIA-AWEZNQCLSA-N 0 0 439.865 4.144 50 0 IIAARN CCSc1nnc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)s1 ZINC000017316902 557057279 /nfs/dbraw/zinc/05/72/79/557057279.db2.gz GFKXBYJVEQXVDO-UHFFFAOYSA-N 0 0 425.992 4.279 50 0 IIAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000023012850 557057515 /nfs/dbraw/zinc/05/75/15/557057515.db2.gz PWPNPJHUAUCCAU-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)NCc2ccc(C)cc2)cc1 ZINC000032948771 557058092 /nfs/dbraw/zinc/05/80/92/557058092.db2.gz MWYKSTNTWUPIAF-JOCHJYFZSA-N 0 0 432.520 4.386 50 0 biogenic IIAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)cc1F ZINC000033277335 557059198 /nfs/dbraw/zinc/05/91/98/557059198.db2.gz HZDHOWRXOVGGDY-UHFFFAOYSA-N 0 0 448.542 4.011 50 0 IIAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CCC3)cc2)c1 ZINC000033277484 557059216 /nfs/dbraw/zinc/05/92/16/557059216.db2.gz AUBHAKPPZJPZAV-UHFFFAOYSA-N 0 0 430.570 4.080 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033277933 557059867 /nfs/dbraw/zinc/05/98/67/557059867.db2.gz NAPHXFBOBQVICV-KRWDZBQOSA-N 0 0 435.528 4.280 50 0 IIAARN CCOC(=O)c1c2cc(OC(=O)Cn3c(C)csc3=O)ccc2oc1-c1ccccc1 ZINC000017341070 557061057 /nfs/dbraw/zinc/06/10/57/557061057.db2.gz WFFWNKFDHQNGBS-UHFFFAOYSA-N 0 0 437.473 4.414 50 0 IIAARN CSc1ncc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n1-c1ccccc1 ZINC000023073664 557061473 /nfs/dbraw/zinc/06/14/73/557061473.db2.gz HWWFGFACJYDJKM-UHFFFAOYSA-N 0 0 434.443 4.139 50 0 IIAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCC[C@H]1c1ccc(O)cc1 ZINC000048302222 557063259 /nfs/dbraw/zinc/06/32/59/557063259.db2.gz PTZUOBKFKNQMDJ-QHCPKHFHSA-N 0 0 425.488 4.128 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1 ZINC000048333145 557068062 /nfs/dbraw/zinc/06/80/62/557068062.db2.gz VCJLXYAVRJWYNW-QFIPXVFZSA-N 0 0 431.517 4.439 50 0 IIAARN Cc1cccc(NC(=O)NC2CCN(c3nc4ccccc4n(CC(C)C)c3=O)CC2)c1C ZINC000033290686 557069146 /nfs/dbraw/zinc/06/91/46/557069146.db2.gz JYYAAROTGABNGF-UHFFFAOYSA-N 0 0 447.583 4.460 50 0 IIAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)o3)CC2=O)cc1 ZINC000033291297 557069469 /nfs/dbraw/zinc/06/94/69/557069469.db2.gz LLRGDIADHOMICN-ZDUSSCGKSA-N 0 0 428.901 4.218 50 0 IIAARN Cc1ccccc1-c1nn(CN2CCC(NC(=O)NC3CCCCC3)CC2)c(=S)o1 ZINC000048340508 557070506 /nfs/dbraw/zinc/07/05/06/557070506.db2.gz GAYQTZCLPAZOKD-UHFFFAOYSA-N 0 0 429.590 4.235 50 0 IIAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc5[nH]ccc54)C3)n2)cc1 ZINC000033289696 557071145 /nfs/dbraw/zinc/07/11/45/557071145.db2.gz WGOYOQPTRRGLIH-KRWDZBQOSA-N 0 0 429.480 4.196 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)c(C)c1 ZINC000033289716 557071300 /nfs/dbraw/zinc/07/13/00/557071300.db2.gz VHTYSQUVYNKRRL-SFHVURJKSA-N 0 0 434.496 4.032 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(OC)cc4C)C3)n2)c1 ZINC000033289860 557071533 /nfs/dbraw/zinc/07/15/33/557071533.db2.gz XLEZFVIVGJXVNN-SFHVURJKSA-N 0 0 448.523 4.422 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(OC)cc4)C3)n2)c1 ZINC000033289832 557071641 /nfs/dbraw/zinc/07/16/41/557071641.db2.gz FCQYYKAJTUZOLO-SFHVURJKSA-N 0 0 434.496 4.114 50 0 IIAARN COc1cc([C@H](C)NC(=O)c2cccc(-n3ccnc3SC)c2)cc(OC)c1OC ZINC000048344142 557071693 /nfs/dbraw/zinc/07/16/93/557071693.db2.gz UOJBWWLAFQQEPS-AWEZNQCLSA-N 0 0 427.526 4.111 50 0 IIAARN CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1 ZINC000048354592 557072973 /nfs/dbraw/zinc/07/29/73/557072973.db2.gz ACBZFGWYWGVESH-UHFFFAOYSA-N 0 0 427.508 4.333 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000033297917 557073992 /nfs/dbraw/zinc/07/39/92/557073992.db2.gz SPVSPOWKYVKYFI-KAMYIIQDSA-N 0 0 439.537 4.023 50 0 IIAARN Cc1ccccc1-n1cnnc1SCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000011287420 557077012 /nfs/dbraw/zinc/07/70/12/557077012.db2.gz FNDYSIWHAQXHNA-UHFFFAOYSA-N 0 0 428.366 4.449 50 0 IIAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000011286246 557077041 /nfs/dbraw/zinc/07/70/41/557077041.db2.gz ZPLUVMFXQTZJMG-UHFFFAOYSA-N 0 0 438.509 4.236 50 0 IIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)Nc3cccc(F)c3)c(=O)c3ccc(C)nc32)c1 ZINC000049002141 557080693 /nfs/dbraw/zinc/08/06/93/557080693.db2.gz FRKLYURXFRUQNT-UHFFFAOYSA-N 0 0 444.466 4.043 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCc2ccccc2F)cc1 ZINC000048991179 557080702 /nfs/dbraw/zinc/08/07/02/557080702.db2.gz TXICRHWAMBDFRR-UHFFFAOYSA-N 0 0 448.541 4.041 50 0 IIAARN O=S(=O)(CCSc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1 ZINC000011304592 557081850 /nfs/dbraw/zinc/08/18/50/557081850.db2.gz WIOVXNHTLXRPPS-UHFFFAOYSA-N 0 0 425.329 4.065 50 0 IIAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000048989202 557083421 /nfs/dbraw/zinc/08/34/21/557083421.db2.gz XLIUAEPAJSFEPJ-UHFFFAOYSA-N 0 0 434.477 4.093 50 0 IIAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc32)c1 ZINC000049004943 557083944 /nfs/dbraw/zinc/08/39/44/557083944.db2.gz HQZNSIUUOCHKJX-UHFFFAOYSA-N 0 0 436.537 4.048 50 0 IIAARN C[C@@H](NC(=O)c1ccc(Oc2nccnc2N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000049006008 557084844 /nfs/dbraw/zinc/08/48/44/557084844.db2.gz QSEKFUCEKZJXOZ-MRXNPFEDSA-N 0 0 438.528 4.452 50 0 IIAARN Cc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)c(Br)c4)no3)n2)c1 ZINC000049006344 557085069 /nfs/dbraw/zinc/08/50/69/557085069.db2.gz VSDAISCNNBGIAT-UHFFFAOYSA-N 0 0 427.233 4.160 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NC2CCC(C)CC2)s1 ZINC000033306552 557085433 /nfs/dbraw/zinc/08/54/33/557085433.db2.gz ZWCMERNPNAZSPY-PKNBQFBNSA-N 0 0 437.587 4.420 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)c1 ZINC000049002182 557089836 /nfs/dbraw/zinc/08/98/36/557089836.db2.gz JVTQNYVUDSVSBM-UHFFFAOYSA-N 0 0 446.551 4.023 50 0 IIAARN Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c(Cl)c1 ZINC000049002471 557090245 /nfs/dbraw/zinc/09/02/45/557090245.db2.gz OXQJPPJLKMYGRL-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN COc1cc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc(OC)c1 ZINC000049003050 557090773 /nfs/dbraw/zinc/09/07/73/557090773.db2.gz VUPXFCILBIDNOK-UHFFFAOYSA-N 0 0 439.537 4.193 50 0 IIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1 ZINC000049003568 557091397 /nfs/dbraw/zinc/09/13/97/557091397.db2.gz YTTAMIVQQSCZAC-UHFFFAOYSA-N 0 0 441.388 4.417 50 0 IIAARN COc1cc(SC)ccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023508278 557095162 /nfs/dbraw/zinc/09/51/62/557095162.db2.gz LSFCYSJHQHGYEW-UHFFFAOYSA-N 0 0 445.894 4.447 50 0 IIAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1)N1CCCC1 ZINC000033311525 557095649 /nfs/dbraw/zinc/09/56/49/557095649.db2.gz WVUQSJZZPBMTGC-KRWDZBQOSA-N 0 0 428.479 4.132 50 0 IIAARN O=C(NCc1ccc(F)cc1Cl)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000033312730 557096555 /nfs/dbraw/zinc/09/65/55/557096555.db2.gz VWMVEPXLDQEPCZ-UHFFFAOYSA-N 0 0 444.915 4.161 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033313003 557097943 /nfs/dbraw/zinc/09/79/43/557097943.db2.gz VGUQXSIGVPAZDK-UHFFFAOYSA-N 0 0 437.341 4.436 50 0 IIAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc5c(c4)CCC5)CC3)n2)cc1 ZINC000049403453 557099223 /nfs/dbraw/zinc/09/92/23/557099223.db2.gz PIZLZXZRNGGEEA-UHFFFAOYSA-N 0 0 432.524 4.052 50 0 IIAARN CCCCN1c2ccc(NC(=O)C(C)C)cc2S(=O)(=O)N=C1c1ccc(OC)cc1 ZINC000085406598 557101172 /nfs/dbraw/zinc/10/11/72/557101172.db2.gz NEBGXGRAQHQEHJ-UHFFFAOYSA-N 0 0 429.542 4.045 50 0 IIAARN COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2CC(C)C)cc1 ZINC000072191841 557102085 /nfs/dbraw/zinc/10/20/85/557102085.db2.gz DUVVWRCYPALQTO-CQSZACIVSA-N 0 0 431.587 4.109 50 0 IIAARN O=C(CSCc1ccccc1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147563 557105156 /nfs/dbraw/zinc/10/51/56/557105156.db2.gz VPSFSCFTQLJGSC-UHFFFAOYSA-N 0 0 433.577 4.082 50 0 IIAARN Cc1ncc(-c2nc(-c3ccccc3)cs2)c(=O)n1CC(=O)Nc1ccc(F)cc1F ZINC000049409950 557105575 /nfs/dbraw/zinc/10/55/75/557105575.db2.gz OQGSJDLHZCLLSY-UHFFFAOYSA-N 0 0 438.459 4.259 50 0 IIAARN Cc1ccc2oc(N3CCCN(C(=O)c4ccc(-c5noc(C(C)C)n5)cc4)CC3)nc2n1 ZINC000033324494 557106323 /nfs/dbraw/zinc/10/63/23/557106323.db2.gz ATLYCVSHFUNBCT-UHFFFAOYSA-N 0 0 446.511 4.057 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325838 557107801 /nfs/dbraw/zinc/10/78/01/557107801.db2.gz MRCSJLUMZQADAD-LJQANCHMSA-N 0 0 443.956 4.432 50 0 IIAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)NCCC(C)C)C2)nc3=O)cc1 ZINC000049421251 557107828 /nfs/dbraw/zinc/10/78/28/557107828.db2.gz JWNVGFVPEIJASZ-GOSISDBHSA-N 0 0 438.597 4.339 50 0 IIAARN COc1ccc2sc(OC3CCN(C(=O)c4ccc(Br)o4)CC3)nc2c1 ZINC000049433099 557110220 /nfs/dbraw/zinc/11/02/20/557110220.db2.gz HYWADWVXRLJXCB-UHFFFAOYSA-N 0 0 437.315 4.344 50 0 IIAARN COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)c3c2sc(=O)n3C)cc1OC ZINC000049544520 557110944 /nfs/dbraw/zinc/11/09/44/557110944.db2.gz QZZKDZQJMPFRBK-OAHLLOKOSA-N 0 0 430.913 4.318 50 0 IIAARN CCCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)C23CCCCC3)s1 ZINC000049548610 557112660 /nfs/dbraw/zinc/11/26/60/557112660.db2.gz ATPFHSSHVDIRBA-LJQANCHMSA-N 0 0 442.585 4.018 50 0 IIAARN O=C(Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4)c1ccc(C(F)(F)F)cc1 ZINC000585152500 557113025 /nfs/dbraw/zinc/11/30/25/557113025.db2.gz RDBNGEVBCDYGEB-UHFFFAOYSA-N 0 0 444.438 4.022 50 0 IIAARN Cc1ccc(-n2ncc3c2nc(SCc2ccc(Br)cc2)[nH]c3=O)cc1 ZINC000011363973 557113979 /nfs/dbraw/zinc/11/39/79/557113979.db2.gz KSGJZUTYKPVIFS-UHFFFAOYSA-N 0 0 427.327 4.472 50 0 IIAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1SCc1ccsc1 ZINC000023756865 557114577 /nfs/dbraw/zinc/11/45/77/557114577.db2.gz ZCTWPOAAHQYMMT-UHFFFAOYSA-N 0 0 425.579 4.202 50 0 IIAARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000049610327 557115522 /nfs/dbraw/zinc/11/55/22/557115522.db2.gz BJQSFCJVOWOJTP-NAVOZUGXSA-N 0 0 438.458 4.224 50 0 IIAARN C[C@H](Sc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000113628065 557118229 /nfs/dbraw/zinc/11/82/29/557118229.db2.gz AKIVDBMJSGATEX-ORYQWCPZSA-N 0 0 432.545 4.212 50 0 IIAARN CCOC(=O)Cc1sc(Nc2cccc(C)c2)nc1CN1C(=O)c2ccccc2C1=O ZINC000098086631 557123564 /nfs/dbraw/zinc/12/35/64/557123564.db2.gz JAZALCCOOCCTKZ-UHFFFAOYSA-N 0 0 435.505 4.097 50 0 IIAARN CC(=O)c1sc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)nc1C ZINC000023908368 557125205 /nfs/dbraw/zinc/12/52/05/557125205.db2.gz KISJTJMRKBCECZ-UHFFFAOYSA-N 0 0 449.576 4.044 50 0 IIAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000017910647 557128078 /nfs/dbraw/zinc/12/80/78/557128078.db2.gz GWPFQZUSZGSKDF-UHFFFAOYSA-N 0 0 444.560 4.191 50 0 IIAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(Br)c2)c1C ZINC000024007452 557131513 /nfs/dbraw/zinc/13/15/13/557131513.db2.gz SYLAWTMLQYQNOH-LJQANCHMSA-N 0 0 445.357 4.326 50 0 IIAARN NS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)cc1Cl ZINC000000680034 557134628 /nfs/dbraw/zinc/13/46/28/557134628.db2.gz DADAZMXHVKEHBD-UHFFFAOYSA-N 0 0 428.322 4.017 50 0 IIAARN Cc1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000000703840 557138326 /nfs/dbraw/zinc/13/83/26/557138326.db2.gz NEVVSTDROYQFRO-UHFFFAOYSA-N 0 0 444.281 4.362 50 0 biogenic IIAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024292937 557143298 /nfs/dbraw/zinc/14/32/98/557143298.db2.gz PTHGDLCZNOQBCS-UHFFFAOYSA-N 0 0 436.364 4.048 50 0 IIAARN Cc1sc2nc(SCCN3CCOCC3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000024292785 557143352 /nfs/dbraw/zinc/14/33/52/557143352.db2.gz WGMZUESYBUCDMC-UHFFFAOYSA-N 0 0 436.002 4.142 50 0 IIAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nncn2-c2ccccc2)C1=O ZINC000011427783 557146762 /nfs/dbraw/zinc/14/67/62/557146762.db2.gz QJJOOZGGRXBWQT-GOSISDBHSA-N 0 0 426.929 4.234 50 0 IIAARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Cn3cccn3)cc2)CCCCCC1 ZINC000024496010 557148332 /nfs/dbraw/zinc/14/83/32/557148332.db2.gz AHQLRTFGRZSHMP-UHFFFAOYSA-N 0 0 426.561 4.279 50 0 IIAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000011455383 557150376 /nfs/dbraw/zinc/15/03/76/557150376.db2.gz JRYAXBBHECHPER-HIGJEIRPSA-N 0 0 439.021 4.361 50 0 IIAARN CCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3C[C@@H](C)C[C@H](C)C3)cc21 ZINC000585148663 557151251 /nfs/dbraw/zinc/15/12/51/557151251.db2.gz OKSBOOGHWOORGX-IRXDYDNUSA-N 0 0 442.556 4.476 50 0 IIAARN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607246 557153372 /nfs/dbraw/zinc/15/33/72/557153372.db2.gz REQUUKUWVBFLQD-UHFFFAOYSA-N 0 0 439.002 4.242 50 0 IIAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609982 557154517 /nfs/dbraw/zinc/15/45/17/557154517.db2.gz NQFWUDHXTHMKFE-UHFFFAOYSA-N 0 0 444.450 4.025 50 0 IIAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000024611308 557155124 /nfs/dbraw/zinc/15/51/24/557155124.db2.gz RHHFYRGWENAVSU-UHFFFAOYSA-N 0 0 428.598 4.300 50 0 IIAARN C[C@H]1S[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(Cl)cc2)C1=O ZINC000016608094 557155342 /nfs/dbraw/zinc/15/53/42/557155342.db2.gz DMYXMGLSAGGQPH-WAIKUNEKSA-N 0 0 441.984 4.451 50 0 IIAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000024612093 557155455 /nfs/dbraw/zinc/15/54/55/557155455.db2.gz GUOYRSPFBUEZMG-UHFFFAOYSA-N 0 0 428.598 4.300 50 0 IIAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000024627185 557156294 /nfs/dbraw/zinc/15/62/94/557156294.db2.gz LBGUYBQGDOARAH-SFHVURJKSA-N 0 0 428.401 4.397 50 0 IIAARN Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000024636701 557157067 /nfs/dbraw/zinc/15/70/67/557157067.db2.gz YQDBOWMFLDOQIT-UHFFFAOYSA-N 0 0 444.578 4.284 50 0 IIAARN COc1ccc(OC(=O)COc2ccccc2C)c(NC(=O)COc2ccccc2C)c1 ZINC000095482092 557157489 /nfs/dbraw/zinc/15/74/89/557157489.db2.gz CLZODMUOVZXHNP-UHFFFAOYSA-N 0 0 435.476 4.314 50 0 IIAARN O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000024665113 557158002 /nfs/dbraw/zinc/15/80/02/557158002.db2.gz MQMSWCUIQMSODZ-UHFFFAOYSA-N 0 0 437.546 4.070 50 0 IIAARN Cc1cccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000095544732 557158365 /nfs/dbraw/zinc/15/83/65/557158365.db2.gz DGIPIXVOSCFGRT-NDBXHCKUSA-N 0 0 436.511 4.378 50 0 IIAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000024701652 557159010 /nfs/dbraw/zinc/15/90/10/557159010.db2.gz NQZRMFRIDBPBLN-UHFFFAOYSA-N 0 0 433.483 4.291 50 0 IIAARN CCOc1ccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1OCC ZINC000043983671 557160651 /nfs/dbraw/zinc/16/06/51/557160651.db2.gz BKTDQEJFUXOOHY-UHFFFAOYSA-N 0 0 426.513 4.125 50 0 IIAARN CCOC(=O)C1=C(CNC(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000024762069 557164499 /nfs/dbraw/zinc/16/44/99/557164499.db2.gz ODJFWHNUOCECSB-HSZRJFAPSA-N 0 0 447.560 4.298 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000024766102 557165187 /nfs/dbraw/zinc/16/51/87/557165187.db2.gz TUXIWTSCBHDMCL-SANMLTNESA-N 0 0 431.605 4.353 50 0 IIAARN CCc1cccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 ZINC000024771348 557165942 /nfs/dbraw/zinc/16/59/42/557165942.db2.gz AMPCNKTVIGFRJI-HNNXBMFYSA-N 0 0 442.589 4.200 50 0 IIAARN Cc1cc(O[C@H]2CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)C2)cc(=O)o1 ZINC000206965605 557168060 /nfs/dbraw/zinc/16/80/60/557168060.db2.gz BDGOWVQDGRXUAD-QFIPXVFZSA-N 0 0 437.467 4.492 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024808950 557168424 /nfs/dbraw/zinc/16/84/24/557168424.db2.gz PSEGAZAFTCBOOW-UHFFFAOYSA-N 0 0 427.854 4.260 50 0 IIAARN CN(Cc1ccc(Cl)s1)C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000024833379 557171223 /nfs/dbraw/zinc/17/12/23/557171223.db2.gz ZHYIYLQHSJEZHM-UHFFFAOYSA-N 0 0 429.954 4.499 50 0 IIAARN CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000024834388 557171668 /nfs/dbraw/zinc/17/16/68/557171668.db2.gz MUZJALASKRFOSM-UHFFFAOYSA-N 0 0 436.946 4.105 50 0 IIAARN Cc1ccc(OCc2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)o2)cc1 ZINC000024834719 557172006 /nfs/dbraw/zinc/17/20/06/557172006.db2.gz QPEQDSHKNGMCSX-IRXDYDNUSA-N 0 0 441.553 4.485 50 0 IIAARN CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000009095924 557181746 /nfs/dbraw/zinc/18/17/46/557181746.db2.gz QCIMLGQPPZGRIS-MRXNPFEDSA-N 0 0 447.564 4.256 50 0 IIAARN CC(=O)c1c(C)cc(C)c(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1C ZINC000024965108 557183097 /nfs/dbraw/zinc/18/30/97/557183097.db2.gz IGUNAKFKSXMVHX-UHFFFAOYSA-N 0 0 449.594 4.020 50 0 IIAARN CCOC(=O)[C@@H](NC(=O)/C=C\c1ccc(F)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000098004691 557189520 /nfs/dbraw/zinc/18/95/20/557189520.db2.gz DFIXGMFARYZTLT-XXCGLNCOSA-N 0 0 439.462 4.201 50 0 IIAARN CCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)s1 ZINC000009526195 557190475 /nfs/dbraw/zinc/19/04/75/557190475.db2.gz FBENPJMSQOQXGD-UHFFFAOYSA-N 0 0 426.527 4.062 50 0 IIAARN Cc1cccc2c(=O)[nH]c(COC(=O)c3ccc(NC(=O)Nc4ccccc4)s3)nc12 ZINC000025054297 557191712 /nfs/dbraw/zinc/19/17/12/557191712.db2.gz SAKYSBIRNFHUFG-UHFFFAOYSA-N 0 0 434.477 4.294 50 0 IIAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)/C=C/c1ccccc1Cl ZINC000100873102 557195975 /nfs/dbraw/zinc/19/59/75/557195975.db2.gz LMYFMNVSLTVKLT-GSIVLMJGSA-N 0 0 429.929 4.102 50 0 IIAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000025128802 557196247 /nfs/dbraw/zinc/19/62/47/557196247.db2.gz ZKRXNSGXBGJCRS-CHWSQXEVSA-N 0 0 449.736 4.328 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000000793052 557199953 /nfs/dbraw/zinc/19/99/53/557199953.db2.gz SSQYLWPKGZUIIF-UHFFFAOYSA-N 0 0 443.750 4.139 50 0 IIAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000025302467 557203174 /nfs/dbraw/zinc/20/31/74/557203174.db2.gz LRDSVAOJAWDRAJ-UHFFFAOYSA-N 0 0 437.525 4.346 50 0 IIAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2C1 ZINC000011613172 557209268 /nfs/dbraw/zinc/20/92/68/557209268.db2.gz LPCHKGVBUGILJW-UHFFFAOYSA-N 0 0 444.597 4.100 50 0 IIAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010985296 557210808 /nfs/dbraw/zinc/21/08/08/557210808.db2.gz NQXCPXPAYJUBHR-UHFFFAOYSA-N 0 0 447.564 4.252 50 0 IIAARN CN1c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766275 557211811 /nfs/dbraw/zinc/21/18/11/557211811.db2.gz DEOADXXRTFIVNJ-LJQANCHMSA-N 0 0 428.330 4.494 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169772383 557212099 /nfs/dbraw/zinc/21/20/99/557212099.db2.gz CXGZNOWFPSMGFA-UHFFFAOYSA-N 0 0 443.267 4.421 50 0 IIAARN O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000023316302 557214952 /nfs/dbraw/zinc/21/49/52/557214952.db2.gz HITARNNLQYGECS-OAHLLOKOSA-N 0 0 441.325 4.265 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cccc(C(F)(F)F)c2)ccc1OC ZINC000011622608 557215072 /nfs/dbraw/zinc/21/50/72/557215072.db2.gz KROKBJHJHGSTOC-UHFFFAOYSA-N 0 0 445.459 4.102 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1OC ZINC000025615111 557219610 /nfs/dbraw/zinc/21/96/10/557219610.db2.gz CLGZYSVAJDGEQS-NRFANRHFSA-N 0 0 447.535 4.117 50 0 IIAARN O=c1ccc2cc(S(=O)(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc2o1 ZINC000025672146 557221233 /nfs/dbraw/zinc/22/12/33/557221233.db2.gz SVBSCAUWFFRXOS-OAQYLSRUSA-N 0 0 444.512 4.385 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)COc2cccc(C)c2)cc1 ZINC000032949304 557222276 /nfs/dbraw/zinc/22/22/76/557222276.db2.gz OYIFAQSRSYETCV-OAQYLSRUSA-N 0 0 433.504 4.081 50 0 biogenic IIAARN Cc1cc(C)c(Nc2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)s2)c(Cl)c1 ZINC000025858020 557228748 /nfs/dbraw/zinc/22/87/48/557228748.db2.gz MCJBKBXCGULFDI-JTQLQIEISA-N 0 0 436.998 4.238 50 0 IIAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900743 557229757 /nfs/dbraw/zinc/22/97/57/557229757.db2.gz ULHNVOFUSZAJSD-QHCPKHFHSA-N 0 0 441.512 4.379 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000011612757 557229970 /nfs/dbraw/zinc/22/99/70/557229970.db2.gz CFXNEHFANHQAQA-KRWDZBQOSA-N 0 0 436.961 4.229 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1 ZINC000025916636 557230066 /nfs/dbraw/zinc/23/00/66/557230066.db2.gz DOMLPJPZARENDR-UHFFFAOYSA-N 0 0 425.573 4.219 50 0 IIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018032083 557230708 /nfs/dbraw/zinc/23/07/08/557230708.db2.gz OJWSVBCPLATMAB-VSKRKVRLSA-N 0 0 434.879 4.400 50 0 IIAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cc(Cl)ccc4OC)c3)cn2n1 ZINC000011693548 557232586 /nfs/dbraw/zinc/23/25/86/557232586.db2.gz CHCPLNDKDHAKHJ-UHFFFAOYSA-N 0 0 426.835 4.458 50 0 IIAARN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Br)cc1F ZINC000098072996 557233375 /nfs/dbraw/zinc/23/33/75/557233375.db2.gz NUBHZBPSXAFBEQ-UHFFFAOYSA-N 0 0 427.064 4.291 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCCCc3ccccc3)n2)cc1F ZINC000098211463 557234940 /nfs/dbraw/zinc/23/49/40/557234940.db2.gz DNOQIOUJNQETJN-UHFFFAOYSA-N 0 0 434.471 4.102 50 0 IIAARN Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000026113099 557234974 /nfs/dbraw/zinc/23/49/74/557234974.db2.gz SPVOCECQZSCOHS-UHFFFAOYSA-N 0 0 435.549 4.337 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1 ZINC000098211498 557235100 /nfs/dbraw/zinc/23/51/00/557235100.db2.gz GLVPCOWDFYMSBO-UHFFFAOYSA-N 0 0 430.464 4.498 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018084646 557235625 /nfs/dbraw/zinc/23/56/25/557235625.db2.gz LPWUEBSSOTUZGL-HDICACEKSA-N 0 0 426.538 4.405 50 0 IIAARN c1csc(-c2nc(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)no2)c1 ZINC000026236670 557237714 /nfs/dbraw/zinc/23/77/14/557237714.db2.gz WJEAJPJFQIWMEK-UHFFFAOYSA-N 0 0 438.582 4.326 50 0 IIAARN Cc1ccc(CSc2nnc(NC(=O)CCn3c(=O)oc4ccccc43)s2)cc1 ZINC000018119493 557238294 /nfs/dbraw/zinc/23/82/94/557238294.db2.gz PMGOKRXWUPPXMV-UHFFFAOYSA-N 0 0 426.523 4.076 50 0 IIAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000026301581 557238632 /nfs/dbraw/zinc/23/86/32/557238632.db2.gz LNDCCZHMOQPSRD-YLJYHZDGSA-N 0 0 439.537 4.293 50 0 IIAARN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026326460 557239038 /nfs/dbraw/zinc/23/90/38/557239038.db2.gz KOTOFWDKZSZXGZ-AWEZNQCLSA-N 0 0 428.330 4.465 50 0 IIAARN COc1ccc(-c2cc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 ZINC000026390166 557240140 /nfs/dbraw/zinc/24/01/40/557240140.db2.gz LQSFFYNGIBXKGA-VGSWGCGISA-N 0 0 448.491 4.356 50 0 IIAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000026418853 557240993 /nfs/dbraw/zinc/24/09/93/557240993.db2.gz RHKSJILCAXQRSQ-UCKITQNFSA-N 0 0 438.568 4.073 50 0 IIAARN O=C(NCc1cccc(Br)c1)c1nnn(-c2ccccc2)c1-c1ccncc1 ZINC000583648205 557241622 /nfs/dbraw/zinc/24/16/22/557241622.db2.gz FGMSQTGGXGIXRG-UHFFFAOYSA-N 0 0 434.297 4.022 50 0 IIAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc1Cl ZINC000583649058 557241888 /nfs/dbraw/zinc/24/18/88/557241888.db2.gz RTSVSOHMCOVSGU-FQEVSTJZSA-N 0 0 429.904 4.012 50 0 IIAARN COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000026688555 557246811 /nfs/dbraw/zinc/24/68/11/557246811.db2.gz ZGDFMXGOJJJXBJ-IGVGMEOHSA-N 0 0 441.487 4.091 50 0 IIAARN O=C(NCC1(Cc2nnc3ccccn32)CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000604418577 557250385 /nfs/dbraw/zinc/25/03/85/557250385.db2.gz ZGDHVGAUOKXZTF-UHFFFAOYSA-N 0 0 435.528 4.205 50 0 IIAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000026910160 557250902 /nfs/dbraw/zinc/25/09/02/557250902.db2.gz HKKWETKWNCZKLK-UHFFFAOYSA-N 0 0 433.580 4.200 50 0 IIAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc3ccccc3n12 ZINC000027016179 557253877 /nfs/dbraw/zinc/25/38/77/557253877.db2.gz KQGXCUDVDPNCSQ-MOSHPQCFSA-N 0 0 426.526 4.371 50 0 IIAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027033874 557255862 /nfs/dbraw/zinc/25/58/62/557255862.db2.gz GJCCAZQVQRNTSX-IFXJQAMLSA-N 0 0 443.956 4.020 50 0 IIAARN Cc1cccc(OCC(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000027125981 557257445 /nfs/dbraw/zinc/25/74/45/557257445.db2.gz JMFAUCYQJPGCPO-UHFFFAOYSA-N 0 0 427.854 4.180 50 0 IIAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCCO)c(=N)c32)cc1OC ZINC000101166440 557258006 /nfs/dbraw/zinc/25/80/06/557258006.db2.gz KBSZBAOBMABSQV-JOCHJYFZSA-N 0 0 443.503 4.201 50 0 IIAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000027165980 557258587 /nfs/dbraw/zinc/25/85/87/557258587.db2.gz XJWJNOAEZRQSHZ-UHFFFAOYSA-N 0 0 435.867 4.164 50 0 IIAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101197188 557263324 /nfs/dbraw/zinc/26/33/24/557263324.db2.gz NGTLWSVKRQPSLZ-VXNXHJTFSA-N 0 0 428.488 4.445 50 0 IIAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000027663144 557269482 /nfs/dbraw/zinc/26/94/82/557269482.db2.gz JAESZYHCNJNYOX-UHFFFAOYSA-N 0 0 440.521 4.176 50 0 IIAARN CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1cccc(Br)c1 ZINC000027680417 557271214 /nfs/dbraw/zinc/27/12/14/557271214.db2.gz RSUNRGPCOXSHCW-UHFFFAOYSA-N 0 0 442.361 4.254 50 0 IIAARN CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027745916 557272597 /nfs/dbraw/zinc/27/25/97/557272597.db2.gz CHPUTIJYOACSIT-QGZVFWFLSA-N 0 0 442.364 4.222 50 0 IIAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027793825 557274421 /nfs/dbraw/zinc/27/44/21/557274421.db2.gz PPUOOMZPTNOWLK-CQSZACIVSA-N 0 0 439.512 4.107 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@@H]1c1cccc(F)c1 ZINC000101401373 557280199 /nfs/dbraw/zinc/28/01/99/557280199.db2.gz GVZTVARFLUQVCS-OAQYLSRUSA-N 0 0 443.544 4.413 50 0 IIAARN Cc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCC3CC3)N21 ZINC000101385731 557281847 /nfs/dbraw/zinc/28/18/47/557281847.db2.gz FNIZTLGYHCUVAI-JOCHJYFZSA-N 0 0 439.581 4.438 50 0 IIAARN Cc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NC3CC3)N21 ZINC000101385999 557282202 /nfs/dbraw/zinc/28/22/02/557282202.db2.gz TYUYDORWARQJBY-NRFANRHFSA-N 0 0 425.554 4.190 50 0 IIAARN CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101394721 557283203 /nfs/dbraw/zinc/28/32/03/557283203.db2.gz MRIRUDQADJJHQC-NRFANRHFSA-N 0 0 425.554 4.049 50 0 IIAARN Cc1cccc(/N=c2/scc(-c3ccc(Br)cc3)n2N2CCN(C)CC2)c1 ZINC000101123565 557283362 /nfs/dbraw/zinc/28/33/62/557283362.db2.gz BSKYNFDGFDEBIN-XTQSDGFTSA-N 0 0 443.414 4.403 50 0 IIAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101394897 557283506 /nfs/dbraw/zinc/28/35/06/557283506.db2.gz NUNPCPWRGFOFFM-OAQYLSRUSA-N 0 0 425.554 4.049 50 0 IIAARN Cc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000101160317 557283837 /nfs/dbraw/zinc/28/38/37/557283837.db2.gz XIRYUTSKFRGYGM-KRWDZBQOSA-N 0 0 447.354 4.151 50 0 IIAARN CCCCc1ccc(NC(=O)CCS[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000101160270 557283880 /nfs/dbraw/zinc/28/38/80/557283880.db2.gz SZMZHMPOCPKONQ-NRFANRHFSA-N 0 0 440.565 4.432 50 0 IIAARN CC1=C(CC(=O)N[C@H](CO)C(C)C)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101469565 557290527 /nfs/dbraw/zinc/29/05/27/557290527.db2.gz OKEJMEQSUPKTNC-VPIRLGBOSA-N 0 0 441.568 4.414 50 0 IIAARN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C(=O)c1ccc(Br)cc1)C(C)C ZINC000101922677 557296710 /nfs/dbraw/zinc/29/67/10/557296710.db2.gz JKYWIBVRPSOIRT-XHSDSOJGSA-N 0 0 425.319 4.035 50 0 IIAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(N2CCCC2=O)c1 ZINC000014083779 557299610 /nfs/dbraw/zinc/29/96/10/557299610.db2.gz ILNJQXJTDAQFTR-UHFFFAOYSA-N 0 0 427.913 4.050 50 0 IIAARN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1SC/C=C/c1ccccc1 ZINC000014093225 557302107 /nfs/dbraw/zinc/30/21/07/557302107.db2.gz CIDPVFGMBGZNKG-LHRNQBEKSA-N 0 0 431.355 4.345 50 0 IIAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000014095495 557302698 /nfs/dbraw/zinc/30/26/98/557302698.db2.gz YGXJPLCQNYQEBA-UHFFFAOYSA-N 0 0 444.553 4.053 50 0 IIAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(Cl)c3)C(=O)CC(C)C)nn2c1=O ZINC000101878538 557304579 /nfs/dbraw/zinc/30/45/79/557304579.db2.gz UEIOWZDKRSWRIK-UHFFFAOYSA-N 0 0 429.952 4.301 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(c2nc3ccc(C)cc3c3nnc(-c4ccccc4OC)n32)C1 ZINC000101971097 557306562 /nfs/dbraw/zinc/30/65/62/557306562.db2.gz XIHDUGHQMZUJHY-QGZVFWFLSA-N 0 0 445.523 4.041 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2)cc1 ZINC000014139460 557309517 /nfs/dbraw/zinc/30/95/17/557309517.db2.gz PHILGZWPOTZSLP-JOCHJYFZSA-N 0 0 436.533 4.074 50 0 IIAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000014166457 557313149 /nfs/dbraw/zinc/31/31/49/557313149.db2.gz OFQOSPPIFHWTSH-UHFFFAOYSA-N 0 0 446.334 4.445 50 0 IIAARN CCNc1nc(-n2cnc(SCc3ccc(Cl)cc3)n2)nc(N2CCCCCC2)n1 ZINC000032598778 557314058 /nfs/dbraw/zinc/31/40/58/557314058.db2.gz ZXZYLSLOZCVHDV-UHFFFAOYSA-N 0 0 444.996 4.210 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC(C)CC3)N2[C@H]1c1ccsc1 ZINC000102247807 557315417 /nfs/dbraw/zinc/31/54/17/557315417.db2.gz ISCXIHNNPLTCPG-IBGZPJMESA-N 0 0 431.583 4.145 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000102300762 557316017 /nfs/dbraw/zinc/31/60/17/557316017.db2.gz IQBNPNMLPFRMED-UHFFFAOYSA-N 0 0 433.489 4.031 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccccc1Cl ZINC000102256132 557316749 /nfs/dbraw/zinc/31/67/49/557316749.db2.gz MGHRTFSJRIKYCP-IBGZPJMESA-N 0 0 431.945 4.100 50 0 IIAARN CC(=O)c1cccc(OC[C@@H](O)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)c1 ZINC000032907283 557317405 /nfs/dbraw/zinc/31/74/05/557317405.db2.gz MAYNJVPRNBNSNW-NRFANRHFSA-N 0 0 442.515 4.323 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1Cc1ccco1 ZINC000014197364 557318044 /nfs/dbraw/zinc/31/80/44/557318044.db2.gz IDVFMBKFOYJQEQ-AREMUKBSSA-N 0 0 445.519 4.103 50 0 IIAARN CN(CCc1noc(COc2ccc3c(c2)CCC3)n1)C(=O)c1ccccc1C(F)(F)F ZINC000032961053 557319496 /nfs/dbraw/zinc/31/94/96/557319496.db2.gz JLZQVMPGHFOOAQ-UHFFFAOYSA-N 0 0 445.441 4.471 50 0 IIAARN CC(C)[C@H](NC(=O)COCc1nnc(C(=O)Nc2cccc(F)c2)s1)c1cccs1 ZINC000032987732 557321953 /nfs/dbraw/zinc/32/19/53/557321953.db2.gz TVZHKYMVSCESQI-SFHVURJKSA-N 0 0 448.545 4.021 50 0 IIAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1cccc(OC)c1 ZINC000033036392 557322463 /nfs/dbraw/zinc/32/24/63/557322463.db2.gz YPXUNUQGTXPJOU-UHFFFAOYSA-N 0 0 447.358 4.402 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)/C=C\c3cccc(F)c3)c2)cc1 ZINC000033398041 557326678 /nfs/dbraw/zinc/32/66/78/557326678.db2.gz QFSXBVPDHNGOJZ-JYRVWZFOSA-N 0 0 426.469 4.287 50 0 IIAARN COc1cccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccc(C)cc5)o4)nn3C)C2)c1 ZINC000033283919 557332076 /nfs/dbraw/zinc/33/20/76/557332076.db2.gz OKKZKKKVGRCSDI-UHFFFAOYSA-N 0 0 444.495 4.044 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3c4ccc(-c5cccs5)nc4sc3c2=O)cc1 ZINC000033284022 557332117 /nfs/dbraw/zinc/33/21/17/557332117.db2.gz BNMDSCWTLDXYJP-UHFFFAOYSA-N 0 0 448.529 4.382 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCC4)c3)C2)c(C)c1 ZINC000033311565 557332551 /nfs/dbraw/zinc/33/25/51/557332551.db2.gz RBZZEVBVHYOIIA-HXUWFJFHSA-N 0 0 436.552 4.171 50 0 IIAARN CCOc1cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc(OCC)c1OCC ZINC000033400959 557334251 /nfs/dbraw/zinc/33/42/51/557334251.db2.gz MBGOWBKRHGYZEX-RAXLEYEMSA-N 0 0 438.568 4.354 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H]1c1cccs1 ZINC000257173187 557337776 /nfs/dbraw/zinc/33/77/76/557337776.db2.gz GGNGIEQOWUHXIC-DEVSCXNHSA-N 0 0 426.582 4.321 50 0 IIAARN C[C@@H]1CN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)C[C@@H](C)O1 ZINC000033570411 557339202 /nfs/dbraw/zinc/33/92/02/557339202.db2.gz NDHAWWUAVJQPIB-HUUCEWRRSA-N 0 0 432.929 4.441 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(OC)c3)C(=O)C2)cc1 ZINC000102530246 557341694 /nfs/dbraw/zinc/34/16/94/557341694.db2.gz KAESBYRVXWLIFZ-UHFFFAOYSA-N 0 0 429.476 4.200 50 0 IIAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000014637236 557346282 /nfs/dbraw/zinc/34/62/82/557346282.db2.gz XVQUHEAMZYRYRH-UHFFFAOYSA-N 0 0 446.529 4.053 50 0 IIAARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ncnn32)cc1 ZINC000102594257 557357203 /nfs/dbraw/zinc/35/72/03/557357203.db2.gz OCLKUOMLXYLSML-JTSKRJEESA-N 0 0 430.464 4.139 50 0 IIAARN O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000033766306 557361155 /nfs/dbraw/zinc/36/11/55/557361155.db2.gz SYKOMFUKWFVSIG-UHFFFAOYSA-N 0 0 443.459 4.144 50 0 IIAARN O=C(COc1ccccc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023456716 557362738 /nfs/dbraw/zinc/36/27/38/557362738.db2.gz SCDGJAAHMPRYTH-UHFFFAOYSA-N 0 0 438.531 4.415 50 0 IIAARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc(OC)c1OC ZINC000102706258 557366560 /nfs/dbraw/zinc/36/65/60/557366560.db2.gz JHOIFPWMVJTLIT-DMZKTXOQSA-N 0 0 448.479 4.075 50 0 IIAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)on3)C2)n1 ZINC000220815046 557367084 /nfs/dbraw/zinc/36/70/84/557367084.db2.gz OCTIDTAFJXIDJL-KRWDZBQOSA-N 0 0 429.480 4.190 50 0 IIAARN COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(OC)cc4)CC(=O)C32)cc1 ZINC000102736566 557368880 /nfs/dbraw/zinc/36/88/80/557368880.db2.gz SCDRCHGTGDHOQO-IERDGZPVSA-N 0 0 446.463 4.494 50 0 IIAARN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102728369 557370669 /nfs/dbraw/zinc/37/06/69/557370669.db2.gz ADWLDFXLYJEDMV-WXFUMESZSA-N 0 0 444.487 4.063 50 0 IIAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 ZINC000102744832 557377495 /nfs/dbraw/zinc/37/74/95/557377495.db2.gz PCCSBMLLHSWUIE-LFAGZIFBSA-N 0 0 441.499 4.173 50 0 IIAARN COc1cc(OC)c([C@@H]2Nc3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc1OC ZINC000102750350 557382540 /nfs/dbraw/zinc/38/25/40/557382540.db2.gz LXEUJDXWEIOABN-YBTHPKLGSA-N 0 0 438.440 4.317 50 0 IIAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102757999 557384242 /nfs/dbraw/zinc/38/42/42/557384242.db2.gz BSHNXEWKJQWCMI-WXFUMESZSA-N 0 0 444.487 4.150 50 0 IIAARN O=C(NC1CCCCCC1)C1CCC(CNc2c(=O)c(=O)c2NC2CCCCC2)CC1 ZINC000102790705 557388478 /nfs/dbraw/zinc/38/84/78/557388478.db2.gz JRGJJEMHLKVCPW-UHFFFAOYSA-N 0 0 429.605 4.085 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br ZINC000024102197 557395956 /nfs/dbraw/zinc/39/59/56/557395956.db2.gz DQJFHCITINZGMP-UHFFFAOYSA-N 0 0 440.315 4.300 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)Nc1snnc1C(=O)NCc1ccc(Cl)cc1 ZINC000033436171 557397659 /nfs/dbraw/zinc/39/76/59/557397659.db2.gz WKBCCCNDCWRJFW-UHFFFAOYSA-N 0 0 436.324 4.097 50 0 IIAARN NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)N=C3Nc3ccc(F)cc3)o2)cc1 ZINC000033568222 557411575 /nfs/dbraw/zinc/41/15/75/557411575.db2.gz GNAWXWDSXLCBLK-WQRHYEAKSA-N 0 0 443.481 4.451 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000014391810 557434978 /nfs/dbraw/zinc/43/49/78/557434978.db2.gz KFQCDXZTCJCKCC-FMIVXFBMSA-N 0 0 446.334 4.231 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O ZINC000103461526 557437678 /nfs/dbraw/zinc/43/76/78/557437678.db2.gz FOARPMTZBABSKS-NAVOZUGXSA-N 0 0 428.532 4.253 50 0 IIAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024565305 557447296 /nfs/dbraw/zinc/44/72/96/557447296.db2.gz MIFZOQXTUYWZKL-GFCCVEGCSA-N 0 0 441.896 4.184 50 0 IIAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000105010301 557472024 /nfs/dbraw/zinc/47/20/24/557472024.db2.gz WZAGFZRRWDEGQA-LOSJGSFVSA-N 0 0 447.579 4.399 50 0 IIAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1 ZINC000018363513 557498775 /nfs/dbraw/zinc/49/87/75/557498775.db2.gz ODOKVBZMIVUPJU-OAHLLOKOSA-N 0 0 446.550 4.323 50 0 IIAARN CS(=O)(=O)c1nc2ccccc2n1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018381124 557501098 /nfs/dbraw/zinc/50/10/98/557501098.db2.gz PZHCZPMTHKHKJW-UHFFFAOYSA-N 0 0 428.517 4.341 50 0 IIAARN COc1ccc(CCN(CCc2nc(-c3ccc(C)cc3)no2)C(=O)C2CC2)cc1OC ZINC000105697136 557510251 /nfs/dbraw/zinc/51/02/51/557510251.db2.gz ZBMDOEHQTFIYGZ-UHFFFAOYSA-N 0 0 435.524 4.086 50 0 IIAARN COC(=O)c1ccccc1NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000046913369 557513253 /nfs/dbraw/zinc/51/32/53/557513253.db2.gz YLMDCLVPLYZLBN-UHFFFAOYSA-N 0 0 429.480 4.015 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 ZINC000046913270 557513300 /nfs/dbraw/zinc/51/33/00/557513300.db2.gz MIYAQCKWRMYUFO-UHFFFAOYSA-N 0 0 447.470 4.236 50 0 IIAARN CSc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046915234 557514187 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MFZRHVSVKRTSSE-ZWKOTPCHSA-N 0 0 449.576 4.292 50 0 IIAARN C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000106916430 557533892 /nfs/dbraw/zinc/53/38/92/557533892.db2.gz MFZRHVSVKRTSSE-QZTJIDSGSA-N 0 0 449.576 4.292 50 0 IIAARN Cc1cc(S(=O)(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c(Cl)cc1Cl ZINC000211113662 557534044 /nfs/dbraw/zinc/53/40/44/557534044.db2.gz YTSWUMNACBWALM-LJQANCHMSA-N 0 0 426.321 4.152 50 0 IIAARN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000107075135 557534514 /nfs/dbraw/zinc/53/45/14/557534514.db2.gz ACYLIDPODNCMBJ-WDSOQIARSA-N 0 0 431.363 4.304 50 0 IIAARN COc1ccc(NC(=O)c2sc(N(Cc3ccccc3)C(C)=O)nc2C)c(OC)c1 ZINC000044903215 557540436 /nfs/dbraw/zinc/54/04/36/557540436.db2.gz HKDDLVNHPGHTJM-UHFFFAOYSA-N 0 0 425.510 4.274 50 0 IIAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000044917433 557540651 /nfs/dbraw/zinc/54/06/51/557540651.db2.gz HRJVRHDOXZGYKA-UHFFFAOYSA-N 0 0 441.487 4.137 50 0 IIAARN CN(Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000108951020 557544841 /nfs/dbraw/zinc/54/48/41/557544841.db2.gz ZLAZUWXJRJVJDH-DHIUTWEWSA-N 0 0 426.969 4.416 50 0 IIAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(CC)cc2)c1=O ZINC000045896416 557545910 /nfs/dbraw/zinc/54/59/10/557545910.db2.gz HUDAXDGTPULZBV-UHFFFAOYSA-N 0 0 438.915 4.113 50 0 IIAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000045900621 557546937 /nfs/dbraw/zinc/54/69/37/557546937.db2.gz OAKVAZOFSWUZNK-UHFFFAOYSA-N 0 0 437.565 4.296 50 0 IIAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccccc5)n4ccn3n2)c1 ZINC000045971711 557555546 /nfs/dbraw/zinc/55/55/46/557555546.db2.gz WUMXJIUPLYSTEC-UHFFFAOYSA-N 0 0 442.548 4.069 50 0 IIAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4ccc(F)cc4Cl)n3n2)cc1OC ZINC000045971969 557555566 /nfs/dbraw/zinc/55/55/66/557555566.db2.gz MJJUPOINKAVNNM-UHFFFAOYSA-N 0 0 446.891 4.187 50 0 IIAARN COc1cccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000045962039 557557063 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562964296 /nfs/dbraw/zinc/96/42/96/562964296.db2.gz FVHWJTYITZEMJO-INIZCTEOSA-N 0 0 448.519 4.340 50 0 IIAARN O=C(COc1ccccc1F)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000008830890 562964886 /nfs/dbraw/zinc/96/48/86/562964886.db2.gz IRQFKAYTKVGLSK-UHFFFAOYSA-N 0 0 445.541 4.167 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000008860325 562965350 /nfs/dbraw/zinc/96/53/50/562965350.db2.gz WZJZLWOTJQWADB-UHFFFAOYSA-N 0 0 429.527 4.312 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCn1ccnc1)occ3C(C)(C)C ZINC000008973040 562966397 /nfs/dbraw/zinc/96/63/97/562966397.db2.gz LGMOXZRHWNJJJT-UHFFFAOYSA-N 0 0 435.524 4.481 50 0 IIAARN O=C(c1ccc(C[S@@](=O)c2ccccc2Cl)o1)N1CCN(C2CCCCC2)CC1 ZINC000009115511 562967226 /nfs/dbraw/zinc/96/72/26/562967226.db2.gz ZLKDSMFIRQUVST-LJAQVGFWSA-N 0 0 434.989 4.331 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3cccs3)C2)c1 ZINC000009126928 562967508 /nfs/dbraw/zinc/96/75/08/562967508.db2.gz IGAHWEOHSNIKRJ-IBGZPJMESA-N 0 0 443.525 4.250 50 0 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563019676 /nfs/dbraw/zinc/01/96/76/563019676.db2.gz FXVQDUPDRCMLNP-UHFFFAOYSA-N 0 0 432.572 4.458 50 0 IIAARN CCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1 ZINC000015942638 563019773 /nfs/dbraw/zinc/01/97/73/563019773.db2.gz PTIGQGLGOQBRCM-UHFFFAOYSA-N 0 0 432.572 4.403 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1c(C)cccc1C)nc2C ZINC000015943047 563019893 /nfs/dbraw/zinc/01/98/93/563019893.db2.gz YSOFEUJKOFQPOV-UHFFFAOYSA-N 0 0 429.524 4.235 50 0 IIAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000020289791 563024520 /nfs/dbraw/zinc/02/45/20/563024520.db2.gz MZLRVIBSEQHNCE-JTSKRJEESA-N 0 0 425.554 4.032 50 0 IIAARN OC1(c2ccc3c(c2)CN(Cc2nccs2)CCO3)CCN(c2ccccc2F)CC1 ZINC000055309651 563142609 /nfs/dbraw/zinc/14/26/09/563142609.db2.gz RBMMWMZKFBNCCC-UHFFFAOYSA-N 0 0 439.556 4.165 50 0 IIAARN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1 ZINC000058012565 563143273 /nfs/dbraw/zinc/14/32/73/563143273.db2.gz MTEWSUYMFNHMOF-QHCPKHFHSA-N 0 0 438.524 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COc1ccccc1CN1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1=O ZINC000034917386 568739451 /nfs/dbraw/zinc/73/94/51/568739451.db2.gz MDBYYXFSYXPPHQ-RUZDIDTESA-N 0 0 442.559 4.315 50 0 IIAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@@H](NC(=O)c2sccc2Br)C1 ZINC000037341765 568740256 /nfs/dbraw/zinc/74/02/56/568740256.db2.gz WZXXLAKUHQIDPC-HSMVNMDESA-N 0 0 438.318 4.281 50 0 IIAARN Cc1sc2[nH]c(Cn3cc(C(F)(F)F)ccc3=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000031625325 568741159 /nfs/dbraw/zinc/74/11/59/568741159.db2.gz MVYLPPONVLVIOC-UHFFFAOYSA-N 0 0 431.439 4.497 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2C1 ZINC000003210179 568742972 /nfs/dbraw/zinc/74/29/72/568742972.db2.gz XOTZQSPXTALNGU-HNNXBMFYSA-N 0 0 441.578 4.345 50 0 IIAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2nnc3sc4ccccc4n23)C1=O ZINC000003238186 568743531 /nfs/dbraw/zinc/74/35/31/568743531.db2.gz ABLRMWMLOHYSLA-QGZVFWFLSA-N 0 0 440.525 4.397 50 0 IIAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCc1ccccc1 ZINC000003256519 568744238 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C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003372537 568748334 /nfs/dbraw/zinc/74/83/34/568748334.db2.gz YKLFFKGTIXDJET-SFHVURJKSA-N 0 0 447.560 4.267 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1C ZINC000003404060 568748483 /nfs/dbraw/zinc/74/84/83/568748483.db2.gz JLZMIPKTHKWOFJ-UHFFFAOYSA-N 0 0 436.524 4.238 50 0 IIAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2)cc1)NC1CCCCC1 ZINC000044166222 568749287 /nfs/dbraw/zinc/74/92/87/568749287.db2.gz RVEGEJIDBQTWJH-UHFFFAOYSA-N 0 0 448.592 4.343 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1F ZINC000003501981 568750329 /nfs/dbraw/zinc/75/03/29/568750329.db2.gz UPOQMWNAJHNLAM-UHFFFAOYSA-N 0 0 437.471 4.454 50 0 IIAARN COc1ccc(NC(=O)[C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000003615276 568751536 /nfs/dbraw/zinc/75/15/36/568751536.db2.gz LYORNDAJZOORIK-HHLNHEHJSA-N 0 0 444.487 4.242 50 0 IIAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)c1ccc(OC)cc1 ZINC000003623285 568751791 /nfs/dbraw/zinc/75/17/91/568751791.db2.gz LZCJGNMPFPVYEH-HXUWFJFHSA-N 0 0 447.940 4.475 50 0 IIAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044446180 568752471 /nfs/dbraw/zinc/75/24/71/568752471.db2.gz ZIPKZSCDZAJZED-UHFFFAOYSA-N 0 0 428.457 4.433 50 0 IIAARN CCOc1cc(Br)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000003667723 568753912 /nfs/dbraw/zinc/75/39/12/568753912.db2.gz GAQKXUJGCYGJMB-DHDCSXOGSA-N 0 0 439.375 4.247 50 0 IIAARN CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cccc(F)c1 ZINC000299782843 568757259 /nfs/dbraw/zinc/75/72/59/568757259.db2.gz GRXZVVAOVHUBJH-YADHBBJMSA-N 0 0 443.519 4.347 50 0 IIAARN COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccco3)CC(=O)O4)c2=O)cc1OC ZINC000263585464 568759081 /nfs/dbraw/zinc/75/90/81/568759081.db2.gz JAJNYFCBUPKERN-CYBMUJFWSA-N 0 0 434.400 4.217 50 0 biogenic IIAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000263585372 568759119 /nfs/dbraw/zinc/75/91/19/568759119.db2.gz HWSCDVBEMQCQRT-QFIPXVFZSA-N 0 0 431.492 4.137 50 0 biogenic IIAARN COCCn1ccc2c1cccc2OCC(=O)N[C@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000263587773 568760788 /nfs/dbraw/zinc/76/07/88/568760788.db2.gz LBTFNYDTXMKDHV-VWLOTQADSA-N 0 0 440.540 4.197 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000263588274 568760913 /nfs/dbraw/zinc/76/09/13/568760913.db2.gz RAVBLXOHXGKVJN-UHFFFAOYSA-N 0 0 437.927 4.386 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391056 568761416 /nfs/dbraw/zinc/76/14/16/568761416.db2.gz XCDZLNGCKHXCHT-QGZVFWFLSA-N 0 0 436.961 4.311 50 0 IIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccncc2)N2CCOCC2)cc1 ZINC000001236178 568768394 /nfs/dbraw/zinc/76/83/94/568768394.db2.gz YCLLOWRCHWHZBK-QFIPXVFZSA-N 0 0 437.565 4.442 50 0 IIAARN COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000001247688 568774834 /nfs/dbraw/zinc/77/48/34/568774834.db2.gz PAHFAUHGEDZETF-HXUWFJFHSA-N 0 0 429.929 4.316 50 0 IIAARN COc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)N(Nc3ccccc3)C2=O)cc1 ZINC000001259632 568775294 /nfs/dbraw/zinc/77/52/94/568775294.db2.gz NMLZIZYJHYTANW-RCCKNPSSSA-N 0 0 429.476 4.369 50 0 IIAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC)cc5OC)no4)cc3CO2)cc1 ZINC000263619124 568777826 /nfs/dbraw/zinc/77/78/26/568777826.db2.gz WZYRPLLCJYIJDP-QFIPXVFZSA-N 0 0 448.479 4.288 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001293800 568778624 /nfs/dbraw/zinc/77/86/24/568778624.db2.gz OWKYODRBEBQYFT-INIZCTEOSA-N 0 0 444.578 4.118 50 0 IIAARN CCC[C@H](C)NC(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 ZINC000025749586 568779227 /nfs/dbraw/zinc/77/92/27/568779227.db2.gz QUERIRQHOWDAPP-ZWKOTPCHSA-N 0 0 445.633 4.220 50 0 IIAARN O=C(Nc1cccc(Br)c1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000001307781 568779252 /nfs/dbraw/zinc/77/92/52/568779252.db2.gz GPOABBLIVTXRFD-UHFFFAOYSA-N 0 0 443.297 4.089 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320607 568779869 /nfs/dbraw/zinc/77/98/69/568779869.db2.gz SLNPHAUXSPTELE-XMMPIXPASA-N 0 0 439.870 4.495 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl ZINC000001359630 568781728 /nfs/dbraw/zinc/78/17/28/568781728.db2.gz KRSUHZBXKHBKHQ-OAHLLOKOSA-N 0 0 435.908 4.406 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1Cl ZINC000001364006 568782323 /nfs/dbraw/zinc/78/23/23/568782323.db2.gz HTDMVZPCYPYWFF-INIZCTEOSA-N 0 0 436.961 4.005 50 0 IIAARN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000083966993 568787375 /nfs/dbraw/zinc/78/73/75/568787375.db2.gz FMIPWYNSBHRZHG-BZNIZROVSA-N 0 0 425.287 4.281 50 0 IIAARN CC[C@](C)(C(=O)Nc1ccc(C)cc1)N(Cc1ccccc1)C(=O)CSc1nc[nH]n1 ZINC000001409777 568787523 /nfs/dbraw/zinc/78/75/23/568787523.db2.gz WZUWUQGJRHBIEY-HSZRJFAPSA-N 0 0 437.569 4.041 50 0 IIAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000084026659 568789854 /nfs/dbraw/zinc/78/98/54/568789854.db2.gz MOXRMNIHFSIAEP-KRWDZBQOSA-N 0 0 439.306 4.261 50 0 IIAARN CCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)C(Cl)(Cl)Cl ZINC000001430851 568794605 /nfs/dbraw/zinc/79/46/05/568794605.db2.gz MCELKWFHCMSILJ-UHFFFAOYSA-N 0 0 425.721 4.237 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(OCc3nnc4c5ccccc5c(C)nn34)cc2)cc1 ZINC000001431635 568794827 /nfs/dbraw/zinc/79/48/27/568794827.db2.gz IZONKKMUMAHBPK-UHFFFAOYSA-N 0 0 439.475 4.426 50 0 IIAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](CCO)c4ccccc4)c(=O)c23)cc1 ZINC000084172028 568795474 /nfs/dbraw/zinc/79/54/74/568795474.db2.gz OJQTZJMTMIBXEC-OAQYLSRUSA-N 0 0 447.560 4.063 50 0 IIAARN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(-c2cnco2)cc1 ZINC000084419654 568797862 /nfs/dbraw/zinc/79/78/62/568797862.db2.gz IRHPYKHPGRUOAM-OAHLLOKOSA-N 0 0 426.314 4.360 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000015577130 568798792 /nfs/dbraw/zinc/79/87/92/568798792.db2.gz KXVYDMIDXZMYLW-UHFFFAOYSA-N 0 0 435.318 4.005 50 0 IIAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cnc2ccccc2c1O ZINC000084585405 568799023 /nfs/dbraw/zinc/79/90/23/568799023.db2.gz OVYNKHKMROJRLK-UHFFFAOYSA-N 0 0 431.319 4.313 50 0 IIAARN O=C(CN1c2ccccc2OCCC1=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000084582111 568799032 /nfs/dbraw/zinc/79/90/32/568799032.db2.gz DITRUEASWPNFEN-JOCHJYFZSA-N 0 0 443.341 4.222 50 0 IIAARN CC(C)c1nc2ccc(NC(=O)C(=O)N[C@H](Cc3nccn3C)c3ccccc3)cc2s1 ZINC000084631190 568799448 /nfs/dbraw/zinc/79/94/48/568799448.db2.gz MTHLCHPKDMPPKW-LJQANCHMSA-N 0 0 447.564 4.192 50 0 IIAARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000015669348 568801895 /nfs/dbraw/zinc/80/18/95/568801895.db2.gz WZASTZWIIOBHMV-UHFFFAOYSA-N 0 0 425.554 4.474 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000015672641 568803182 /nfs/dbraw/zinc/80/31/82/568803182.db2.gz BAJSRVRJGLPSLI-LPXYKDPNSA-N 0 0 425.554 4.405 50 0 IIAARN COCCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675779 568803872 /nfs/dbraw/zinc/80/38/72/568803872.db2.gz CWSIKUYWLUGWCY-XMMPIXPASA-N 0 0 429.561 4.023 50 0 IIAARN CCOCCCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675773 568803891 /nfs/dbraw/zinc/80/38/91/568803891.db2.gz ZWFQORCKTZJCJW-VWLOTQADSA-N 0 0 443.588 4.413 50 0 IIAARN O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCN(Cc2ccccc2)CC1 ZINC000015679095 568805495 /nfs/dbraw/zinc/80/54/95/568805495.db2.gz LLWDLTBGFSFCQA-UHFFFAOYSA-N 0 0 432.543 4.374 50 0 IIAARN O=C(c1ccc(-n2c3ncccc3nc2-c2ccccc2)cc1)N1CCC2(CC1)OCCO2 ZINC000015681986 568806953 /nfs/dbraw/zinc/80/69/53/568806953.db2.gz UCRHZUZCZBTMAN-UHFFFAOYSA-N 0 0 440.503 4.067 50 0 IIAARN Cc1cccc(-n2ncc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2-n2cccc2)c1 ZINC000015731280 568814693 /nfs/dbraw/zinc/81/46/93/568814693.db2.gz PARNZEYGTNJGKC-UHFFFAOYSA-N 0 0 441.535 4.056 50 0 IIAARN CC(C)Cc1nn2c(nc(CSc3ccccc3NC(=O)c3ccco3)cc2=O)s1 ZINC000015731971 568815011 /nfs/dbraw/zinc/81/50/11/568815011.db2.gz TVXZRHBESKEPGG-UHFFFAOYSA-N 0 0 440.550 4.487 50 0 IIAARN C=C1C(N2CCC(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732970 568815481 /nfs/dbraw/zinc/81/54/81/568815481.db2.gz LQGVQTXWHSSIPV-UHFFFAOYSA-N 0 0 445.629 4.157 50 0 IIAARN COc1cccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1OC ZINC000015733411 568815891 /nfs/dbraw/zinc/81/58/91/568815891.db2.gz JYBUGUFXMGCWSU-UHFFFAOYSA-N 0 0 445.475 4.116 50 0 IIAARN O=C(Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)c1ccc2c(c1)OCO2 ZINC000001448143 568817517 /nfs/dbraw/zinc/81/75/17/568817517.db2.gz XTXZQIKCPADGLN-UHFFFAOYSA-N 0 0 444.395 4.179 50 0 biogenic IIAARN COCCn1c(Cc2ccccc2)nnc1SCc1ccccc1C(=O)NCC(C)C ZINC000085409483 568817841 /nfs/dbraw/zinc/81/78/41/568817841.db2.gz ZOXTXXNWVLFVLH-UHFFFAOYSA-N 0 0 438.597 4.193 50 0 IIAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000011582344 568818280 /nfs/dbraw/zinc/81/82/80/568818280.db2.gz KHWAVBYANPTJJF-BDTNDASRSA-N 0 0 434.879 4.400 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 ZINC000001467226 568820349 /nfs/dbraw/zinc/82/03/49/568820349.db2.gz RYINACMFMBQGKB-HSZRJFAPSA-N 0 0 438.491 4.180 50 0 IIAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2F)c2cccs2)ccc1F ZINC000015780993 568825148 /nfs/dbraw/zinc/82/51/48/568825148.db2.gz VPFNGIBXMJTRGP-GOSISDBHSA-N 0 0 439.480 4.419 50 0 IIAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2Cl)c2cccs2)cc1 ZINC000015780760 568825204 /nfs/dbraw/zinc/82/52/04/568825204.db2.gz IYRHXMFYCHNVQG-LJQANCHMSA-N 0 0 435.954 4.355 50 0 IIAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cc(Cl)ccc1OC ZINC000015781761 568826126 /nfs/dbraw/zinc/82/61/26/568826126.db2.gz FWMGXDDJXHJNSO-KRWDZBQOSA-N 0 0 448.903 4.060 50 0 IIAARN Cc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)cc1 ZINC000085601792 568827205 /nfs/dbraw/zinc/82/72/05/568827205.db2.gz MPUBWKFYXHLZSR-UHFFFAOYSA-N 0 0 430.851 4.358 50 0 IIAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000015783640 568827215 /nfs/dbraw/zinc/82/72/15/568827215.db2.gz PXIAWBCSNDSSRV-RDTXWAMCSA-N 0 0 440.594 4.191 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCCCC2)c1C ZINC000085598273 568827250 /nfs/dbraw/zinc/82/72/50/568827250.db2.gz ANPCPHGNEYURMJ-UHFFFAOYSA-N 0 0 439.965 4.111 50 0 IIAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000085649289 568830700 /nfs/dbraw/zinc/83/07/00/568830700.db2.gz QFLFWILUJHNQHB-UHFFFAOYSA-N 0 0 446.551 4.002 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C ZINC000085711542 568835064 /nfs/dbraw/zinc/83/50/64/568835064.db2.gz KVYTVEIGEDHKLM-LJQANCHMSA-N 0 0 448.947 4.048 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000085712521 568835607 /nfs/dbraw/zinc/83/56/07/568835607.db2.gz MMIFJBBSFFCTRD-UHFFFAOYSA-N 0 0 444.553 4.409 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)c1C ZINC000085711745 568835910 /nfs/dbraw/zinc/83/59/10/568835910.db2.gz SZNPUROULBPTCF-UHFFFAOYSA-N 0 0 440.521 4.441 50 0 IIAARN COC(=O)c1cc(Cl)c(NC(=O)COc2ccc(C)cc2Br)cc1OC ZINC000000622613 568836460 /nfs/dbraw/zinc/83/64/60/568836460.db2.gz CPQZVGGGQBIXBD-UHFFFAOYSA-N 0 0 442.693 4.224 50 0 IIAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(O)cc2)cc1 ZINC000085875966 568838183 /nfs/dbraw/zinc/83/81/83/568838183.db2.gz BVNIHWLSCIATLW-KRWDZBQOSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085878293 568838720 /nfs/dbraw/zinc/83/87/20/568838720.db2.gz UPRLPYYOGCMLLC-QGZVFWFLSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085879094 568838924 /nfs/dbraw/zinc/83/89/24/568838924.db2.gz JPMATBJBOYQOIJ-QGZVFWFLSA-N 0 0 442.489 4.047 50 0 biogenic IIAARN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982820 568839201 /nfs/dbraw/zinc/83/92/01/568839201.db2.gz OAEOAMSQRAPKEH-JWQCQUIFSA-N 0 0 448.538 4.399 50 0 IIAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccc(OC)cc2)o1 ZINC000025694741 568842714 /nfs/dbraw/zinc/84/27/14/568842714.db2.gz RUASDMXDUZFRMQ-UHFFFAOYSA-N 0 0 425.481 4.316 50 0 IIAARN O=S(=O)(c1ccccc1)N1[C@@H]2C[C@@]3(Br)CCCC[C@]3(Br)C[C@@H]21 ZINC000071785330 568843366 /nfs/dbraw/zinc/84/33/66/568843366.db2.gz MIGWAFCPMFOFGW-ZSCFFZQTSA-N 0 0 449.208 4.063 50 0 IIAARN O=C(Nc1ccccc1O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000006144256 568846088 /nfs/dbraw/zinc/84/60/88/568846088.db2.gz DQYZDGHFAMFPDU-UHFFFAOYSA-N 0 0 447.878 4.076 50 0 IIAARN O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863257 568849049 /nfs/dbraw/zinc/84/90/49/568849049.db2.gz PHBYBZOVUWNXNH-UHFFFAOYSA-N 0 0 435.503 4.176 50 0 IIAARN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000015862867 568849075 /nfs/dbraw/zinc/84/90/75/568849075.db2.gz WGBYDFAMOXOLOQ-LJQANCHMSA-N 0 0 444.491 4.198 50 0 IIAARN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(-c4cc5cc(F)ccc5[nH]4)cc3)ccc21 ZINC000015864042 568849541 /nfs/dbraw/zinc/84/95/41/568849541.db2.gz CUDJCKVOCSPORY-UHFFFAOYSA-N 0 0 437.452 4.220 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(Br)c3)cs2)cc1 ZINC000015881000 568854477 /nfs/dbraw/zinc/85/44/77/568854477.db2.gz HWYNOSYXPUDRPV-UHFFFAOYSA-N 0 0 446.326 4.348 50 0 IIAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 ZINC000015881839 568855767 /nfs/dbraw/zinc/85/57/67/568855767.db2.gz ZVDQMXUAPKHWGY-UHFFFAOYSA-N 0 0 438.530 4.390 50 0 IIAARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc(C(F)(F)F)cc1 ZINC000015882762 568857336 /nfs/dbraw/zinc/85/73/36/568857336.db2.gz QYMYZONYTGDLQV-UHFFFAOYSA-N 0 0 449.454 4.123 50 0 IIAARN CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000015882816 568857428 /nfs/dbraw/zinc/85/74/28/568857428.db2.gz KJZGDARIOWRLCG-UHFFFAOYSA-N 0 0 429.398 4.126 50 0 IIAARN O=C(Nc1cccc(Br)c1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883303 568857438 /nfs/dbraw/zinc/85/74/38/568857438.db2.gz ODAOSSUUJJMQCI-UHFFFAOYSA-N 0 0 434.293 4.460 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414645 568862460 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568945119 /nfs/dbraw/zinc/94/51/19/568945119.db2.gz WFKZNDCZCKEPEQ-IBGZPJMESA-N 0 0 437.540 4.213 50 0 IIAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccccc2)c1 ZINC000036073653 568946518 /nfs/dbraw/zinc/94/65/18/568946518.db2.gz XYHXESRGENJBGI-UHFFFAOYSA-N 0 0 437.540 4.280 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000036083725 568947394 /nfs/dbraw/zinc/94/73/94/568947394.db2.gz BBWYTAITGJTQGP-FQEVSTJZSA-N 0 0 434.414 4.086 50 0 IIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747136 568949831 /nfs/dbraw/zinc/94/98/31/568949831.db2.gz PVGCXPGFPRHVKU-HNNXBMFYSA-N 0 0 431.370 4.461 50 0 IIAARN COCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)N3CCC(C)CC3)c(C)n21 ZINC000064761286 568952282 /nfs/dbraw/zinc/95/22/82/568952282.db2.gz XCYAZUJUJOODEG-UHFFFAOYSA-N 0 0 430.549 4.441 50 0 IIAARN COCCNc1c(-c2cccc(OC)c2)nc2sc(C(=O)N3CCCCC3)c(C)n21 ZINC000064761261 568952323 /nfs/dbraw/zinc/95/23/23/568952323.db2.gz ZALHHZSICTYNCN-UHFFFAOYSA-N 0 0 428.558 4.064 50 0 IIAARN CCC(=O)Nc1ccc(N(C)C)c(CN(CCOC)C(=O)[C@@H](CC)c2ccccc2)c1 ZINC000006695458 568952492 /nfs/dbraw/zinc/95/24/92/568952492.db2.gz BJHUZHQZIGOOBU-QFIPXVFZSA-N 0 0 425.573 4.270 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036119185 568956123 /nfs/dbraw/zinc/95/61/23/568956123.db2.gz XESVKTQDACWFTQ-OAQYLSRUSA-N 0 0 426.582 4.128 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036120183 568957154 /nfs/dbraw/zinc/95/71/54/568957154.db2.gz ZDEODAKTWLXALN-NRFANRHFSA-N 0 0 426.582 4.210 50 0 IIAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120365 568957450 /nfs/dbraw/zinc/95/74/50/568957450.db2.gz LUHSPNPPMVWFNA-IBGZPJMESA-N 0 0 430.545 4.039 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036120743 568957480 /nfs/dbraw/zinc/95/74/80/568957480.db2.gz NKKJRJLFKRADTE-FQEVSTJZSA-N 0 0 432.561 4.287 50 0 IIAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120705 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4.391 50 0 IIAARN Cc1cc(Nc2cccc(C(=O)NCc3ccccc3C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791608 568959126 /nfs/dbraw/zinc/95/91/26/568959126.db2.gz WBIHTTGQDUNRBK-UHFFFAOYSA-N 0 0 449.518 4.477 50 0 IIAARN Cc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)c(C)c1 ZINC000064792482 568959237 /nfs/dbraw/zinc/95/92/37/568959237.db2.gz BRVQWJBVDZVWNP-DEOSSOPVSA-N 0 0 436.519 4.379 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c(OC)c1 ZINC000064798132 568960376 /nfs/dbraw/zinc/96/03/76/568960376.db2.gz JSWPSMNVZROSFM-INIZCTEOSA-N 0 0 429.519 4.072 50 0 IIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1OC ZINC000064797928 568960389 /nfs/dbraw/zinc/96/03/89/568960389.db2.gz SHNVRNNWLFHQOT-INIZCTEOSA-N 0 0 443.546 4.462 50 0 IIAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064797850 568960401 /nfs/dbraw/zinc/96/04/01/568960401.db2.gz OYVVGZJYUNPQBO-MRXNPFEDSA-N 0 0 443.546 4.462 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1O 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PHLGCLXAOTUCAB-JOCHJYFZSA-N 0 0 429.605 4.435 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815801 568963612 /nfs/dbraw/zinc/96/36/12/568963612.db2.gz HWDXOMANLOWEJM-DEOSSOPVSA-N 0 0 434.565 4.398 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064815817 568963649 /nfs/dbraw/zinc/96/36/49/568963649.db2.gz MTJXSORGMRHVMS-VWLOTQADSA-N 0 0 448.592 4.394 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815803 568963656 /nfs/dbraw/zinc/96/36/56/568963656.db2.gz HWDXOMANLOWEJM-XMMPIXPASA-N 0 0 434.565 4.398 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000064816253 568965078 /nfs/dbraw/zinc/96/50/78/568965078.db2.gz XNEGGLMLUWEHLE-RUZDIDTESA-N 0 0 432.524 4.238 50 0 IIAARN O=c1[nH]c(CN(Cc2ccco2)C[C@@H](O)Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000036156607 568965316 /nfs/dbraw/zinc/96/53/16/568965316.db2.gz FMVMMAVZSCSCQO-SFHVURJKSA-N 0 0 449.576 4.062 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN([C@H]2N=CNc3c2nc2n3CCCCC2)C1 ZINC000036160004 568967494 /nfs/dbraw/zinc/96/74/94/568967494.db2.gz FUHUCRPROBQEPZ-HRAATJIYSA-N 0 0 440.979 4.184 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167497 568967635 /nfs/dbraw/zinc/96/76/35/568967635.db2.gz MERNCCVUQRHCJL-QHCPKHFHSA-N 0 0 444.503 4.049 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036163170 568967830 /nfs/dbraw/zinc/96/78/30/568967830.db2.gz FVPDWHQCGNLVLN-QFIPXVFZSA-N 0 0 445.972 4.215 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(CC)c2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000006734456 568968790 /nfs/dbraw/zinc/96/87/90/568968790.db2.gz QYFSJDCSRNVRFE-JOCHJYFZSA-N 0 0 426.488 4.371 50 0 IIAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000064837693 568969471 /nfs/dbraw/zinc/96/94/71/568969471.db2.gz YAHBFCARZZWNCB-UHFFFAOYSA-N 0 0 425.554 4.086 50 0 IIAARN CN(CCc1noc(COc2ccccc2)n1)C(=O)Nc1cccc(Br)c1 ZINC000064840050 568969704 /nfs/dbraw/zinc/96/97/04/568969704.db2.gz CESHNXCFCMEYTP-UHFFFAOYSA-N 0 0 431.290 4.118 50 0 IIAARN CN(CCc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000064841313 568969890 /nfs/dbraw/zinc/96/98/90/568969890.db2.gz QFKBMLMSELXDAE-UHFFFAOYSA-N 0 0 427.913 4.406 50 0 IIAARN COc1cccc(-c2nn([C@@H](C)C(=O)Nc3ccccc3Cl)c(=O)c3noc(C)c32)c1 ZINC000064842473 568970815 /nfs/dbraw/zinc/97/08/15/568970815.db2.gz VDJVPMHGJKLUKL-LBPRGKRZSA-N 0 0 438.871 4.222 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)c2)c1C ZINC000064867095 568974982 /nfs/dbraw/zinc/97/49/82/568974982.db2.gz FZKREGJUZOQZQU-UHFFFAOYSA-N 0 0 434.464 4.348 50 0 IIAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2nc(-c3ccc(C)cc3)sc2C1 ZINC000064868326 568975572 /nfs/dbraw/zinc/97/55/72/568975572.db2.gz SQCMHNRNIAVLRF-UHFFFAOYSA-N 0 0 441.578 4.132 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1OC ZINC000064872418 568978450 /nfs/dbraw/zinc/97/84/50/568978450.db2.gz KUEGAQMKAANJMI-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN CCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000064888186 568979358 /nfs/dbraw/zinc/97/93/58/568979358.db2.gz POGDZLGLYBNJQP-UHFFFAOYSA-N 0 0 433.577 4.362 50 0 IIAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1c2ccccc2nc1-c1ccccc1 ZINC000064888207 568979386 /nfs/dbraw/zinc/97/93/86/568979386.db2.gz GDIQLLWHCMAPPC-UHFFFAOYSA-N 0 0 441.940 4.344 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(CC(C)C)nn(-c3ccc(F)cc3)c2CC)C1 ZINC000006770151 568980771 /nfs/dbraw/zinc/98/07/71/568980771.db2.gz QTSSRXUCSWEWDO-KRWDZBQOSA-N 0 0 429.536 4.188 50 0 IIAARN Cc1ccccc1C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1 ZINC000036249237 568983230 /nfs/dbraw/zinc/98/32/30/568983230.db2.gz AHYNKLPQOKTBFP-UHFFFAOYSA-N 0 0 435.499 4.431 50 0 IIAARN COCCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000006774962 568983420 /nfs/dbraw/zinc/98/34/20/568983420.db2.gz GOAJYHYMSVFQAC-UHFFFAOYSA-N 0 0 426.492 4.473 50 0 IIAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000006775793 568983589 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429.567 4.024 50 0 IIAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1)NCc1cccs1 ZINC000013850383 569157288 /nfs/dbraw/zinc/15/72/88/569157288.db2.gz GMDVRFJZBNBMNW-UHFFFAOYSA-N 0 0 440.590 4.287 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc2c1 ZINC000014080947 569157782 /nfs/dbraw/zinc/15/77/82/569157782.db2.gz QXDWMPSDWXWKFI-KRWDZBQOSA-N 0 0 431.492 4.106 50 0 IIAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000014187222 569158017 /nfs/dbraw/zinc/15/80/17/569158017.db2.gz ZYSLBZNBCDAWMP-XUXNDYAISA-N 0 0 444.641 4.125 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCc4sccc4C3)nc3ccccc3c2=O)cc1 ZINC000014216188 569158147 /nfs/dbraw/zinc/15/81/47/569158147.db2.gz PTISELOFNDOUPW-UHFFFAOYSA-N 0 0 447.585 4.433 50 0 IIAARN Cc1oc2cc(OC(=O)c3ccc(S(C)(=O)=O)cc3)ccc2c(=O)c1-c1ccccc1 ZINC000014423567 569159069 /nfs/dbraw/zinc/15/90/69/569159069.db2.gz NJOFZZVDRQKNIZ-UHFFFAOYSA-N 0 0 434.469 4.391 50 0 IIAARN Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCC3)c3ccccc3n2)o1 ZINC000016722542 569160304 /nfs/dbraw/zinc/16/03/04/569160304.db2.gz JYFPKXWHKMQMQL-HNNXBMFYSA-N 0 0 435.480 4.117 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000016845616 569163964 /nfs/dbraw/zinc/16/39/64/569163964.db2.gz CIAVRFWHBPLNCB-UHFFFAOYSA-N 0 0 442.397 4.426 50 0 IIAARN O=S1(=O)CCC(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC000089793199 569164086 /nfs/dbraw/zinc/16/40/86/569164086.db2.gz TXURJCORQSWGMB-UHFFFAOYSA-N 0 0 439.506 4.097 50 0 IIAARN COC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 ZINC000016848873 569164320 /nfs/dbraw/zinc/16/43/20/569164320.db2.gz PHUXULFCEVYMGB-UHFFFAOYSA-N 0 0 431.945 4.060 50 0 IIAARN COc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)cc1OC ZINC000016848983 569164359 /nfs/dbraw/zinc/16/43/59/569164359.db2.gz IRQFVYNSBHKMKJ-UHFFFAOYSA-N 0 0 426.498 4.376 50 0 IIAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000016903622 569165782 /nfs/dbraw/zinc/16/57/82/569165782.db2.gz JQBBGSRJZQLQFL-PMACEKPBSA-N 0 0 435.568 4.207 50 0 IIAARN COc1cc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(F)c2)cc(OC)c1OC ZINC000016943714 569166939 /nfs/dbraw/zinc/16/69/39/569166939.db2.gz XVPQZPNBWPELGC-NRFANRHFSA-N 0 0 441.528 4.455 50 0 IIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000089920094 569167741 /nfs/dbraw/zinc/16/77/41/569167741.db2.gz AKPYLPQHALFMJS-LLVKDONJSA-N 0 0 431.279 4.079 50 0 IIAARN CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cs1)c1cccc(Cl)c1 ZINC000089930514 569167905 /nfs/dbraw/zinc/16/79/05/569167905.db2.gz KPWUQYDPWJNTPK-SFTDATJTSA-N 0 0 447.004 4.456 50 0 IIAARN CCCCN(C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089954701 569168813 /nfs/dbraw/zinc/16/88/13/569168813.db2.gz VRNIESDPHRWEOT-IBGZPJMESA-N 0 0 439.597 4.416 50 0 IIAARN COc1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c(OC)c1 ZINC000016978565 569169277 /nfs/dbraw/zinc/16/92/77/569169277.db2.gz VRTRDPFEECUOLM-UHFFFAOYSA-N 0 0 432.546 4.186 50 0 IIAARN COc1ccc(-c2nc3sc(CCNC(=O)c4c(F)cccc4F)c(C)n3n2)cc1 ZINC000016992652 569169647 /nfs/dbraw/zinc/16/96/47/569169647.db2.gz CHWJLPSRNWANNR-UHFFFAOYSA-N 0 0 428.464 4.026 50 0 IIAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)Cc4ccc(F)cc4)[C@H](C)C3)ncn2)c1 ZINC000037356700 569172716 /nfs/dbraw/zinc/17/27/16/569172716.db2.gz IFOYZMKZMPHKDX-QGZVFWFLSA-N 0 0 438.478 4.135 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)CC2)cc1 ZINC000037357294 569173197 /nfs/dbraw/zinc/17/31/97/569173197.db2.gz YSWRLJCRMNSNRW-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN COc1cc(OC)cc(C(=O)NC(=S)N=c2sc3c(ccc4ccccc34)n2C)c1 ZINC000017149577 569174894 /nfs/dbraw/zinc/17/48/94/569174894.db2.gz HOQIKOKZAZUNLJ-GYHWCHFESA-N 0 0 437.546 4.026 50 0 IIAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000017169788 569175292 /nfs/dbraw/zinc/17/52/92/569175292.db2.gz VNMBJQBADBPWFN-SFHVURJKSA-N 0 0 441.402 4.383 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000001051419 569176398 /nfs/dbraw/zinc/17/63/98/569176398.db2.gz SHIIVCSLQWVGIN-UHFFFAOYSA-N 0 0 440.521 4.055 50 0 IIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)c1 ZINC000002103119 569179890 /nfs/dbraw/zinc/17/98/90/569179890.db2.gz XKSMSOOPHAVSEG-OZXSUGGESA-N 0 0 427.548 4.494 50 0 biogenic IIAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cnccn1 ZINC000002522913 569180899 /nfs/dbraw/zinc/18/08/99/569180899.db2.gz UEYWCNCBVDXJKO-UHFFFAOYSA-N 0 0 432.509 4.278 50 0 IIAARN COc1cccc(-c2nc(N3CCC(Cc4ccccc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037361256 569181589 /nfs/dbraw/zinc/18/15/89/569181589.db2.gz RXQGDTHMJIHKBR-UHFFFAOYSA-N 0 0 428.540 4.080 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002132697 569185028 /nfs/dbraw/zinc/18/50/28/569185028.db2.gz JZOQIVQSCSAMBE-NRFANRHFSA-N 0 0 449.503 4.323 50 0 biogenic IIAARN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000252517448 569189174 /nfs/dbraw/zinc/18/91/74/569189174.db2.gz IUYYZDHQZGEMMB-GBESFXJTSA-N 0 0 449.414 4.146 50 0 IIAARN CCOc1ccc(OCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000170648786 569189474 /nfs/dbraw/zinc/18/94/74/569189474.db2.gz KZEJEAAEANIVRY-UHFFFAOYSA-N 0 0 436.474 4.264 50 0 IIAARN C[NH+]1CCC(n2nccc2[N-]S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 ZINC000170655491 569192493 /nfs/dbraw/zinc/19/24/93/569192493.db2.gz QIDJACJVTQWDHB-UHFFFAOYSA-N 0 0 439.368 4.411 50 0 IIAARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000170669210 569194732 /nfs/dbraw/zinc/19/47/32/569194732.db2.gz RDESVXJBKUBHDW-KRWDZBQOSA-N 0 0 433.537 4.293 50 0 IIAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)C1CCC1 ZINC000037399853 569194734 /nfs/dbraw/zinc/19/47/34/569194734.db2.gz OEJHITLXGLSWDW-KRWDZBQOSA-N 0 0 431.554 4.390 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)NC(C)C)cc1 ZINC000037401172 569195154 /nfs/dbraw/zinc/19/51/54/569195154.db2.gz VJCHTKZXNUKTLG-UHFFFAOYSA-N 0 0 434.558 4.039 50 0 IIAARN CO[C@@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000170683001 569195475 /nfs/dbraw/zinc/19/54/75/569195475.db2.gz XRALFARBWRBXHX-IEBWSBKVSA-N 0 0 431.521 4.197 50 0 IIAARN CC(C)C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)CS[C@H]1c1ccc(F)cc1F ZINC000037437361 569196226 /nfs/dbraw/zinc/19/62/26/569196226.db2.gz DNYAKOXDHILWRQ-UGKGYDQZSA-N 0 0 436.499 4.409 50 0 IIAARN CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)CS[C@H]1c1ccc(F)cc1F ZINC000037437364 569196254 /nfs/dbraw/zinc/19/62/54/569196254.db2.gz DNYAKOXDHILWRQ-KNQAVFIVSA-N 0 0 436.499 4.409 50 0 IIAARN O=C(NCCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037524166 569198462 /nfs/dbraw/zinc/19/84/62/569198462.db2.gz AWOZKGQRMHHNSY-UHFFFAOYSA-N 0 0 445.538 4.197 50 0 IIAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccccc3F)CC2)c1 ZINC000037524563 569198861 /nfs/dbraw/zinc/19/88/61/569198861.db2.gz LGOAXZULDDACNY-UHFFFAOYSA-N 0 0 445.538 4.463 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547123 569199964 /nfs/dbraw/zinc/19/99/64/569199964.db2.gz IFNXVJLOLLEMEX-OAQYLSRUSA-N 0 0 441.478 4.479 50 0 IIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)CC(C)(C)C)CC4)n23)c1 ZINC000037554821 569200456 /nfs/dbraw/zinc/20/04/56/569200456.db2.gz GOIRCKPXFIYUCF-UHFFFAOYSA-N 0 0 442.567 4.338 50 0 IIAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2cccc(Cl)c2)c1=O ZINC000037559011 569200824 /nfs/dbraw/zinc/20/08/24/569200824.db2.gz GZDWSCAZDSRAPJ-UHFFFAOYSA-N 0 0 440.906 4.236 50 0 IIAARN CC(C)CNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037602874 569202507 /nfs/dbraw/zinc/20/25/07/569202507.db2.gz SXZPAEBOLPYZLI-XMMPIXPASA-N 0 0 440.559 4.497 50 0 IIAARN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)c3ccccc3Cl)CCO2)cc1 ZINC000037611207 569203051 /nfs/dbraw/zinc/20/30/51/569203051.db2.gz GDGMCGLLOHCTKI-HXUWFJFHSA-N 0 0 428.960 4.288 50 0 IIAARN O=C(N[C@@H]1C(=O)n2ccnc2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000195547672 569204334 /nfs/dbraw/zinc/20/43/34/569204334.db2.gz AJIZTANYIRGASL-ZRBLBEILSA-N 0 0 435.483 4.086 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)C1=NO[C@H](Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000066089016 569205636 /nfs/dbraw/zinc/20/56/36/569205636.db2.gz VQPBOOPYGLPBMI-INIZCTEOSA-N 0 0 431.279 4.047 50 0 IIAARN COc1ccc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@H]32)cc1OC ZINC000066091483 569205806 /nfs/dbraw/zinc/20/58/06/569205806.db2.gz AIIREGOPUPQXRK-RTWAWAEBSA-N 0 0 445.523 4.429 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(=Nc3ccccc3)n2CCOC)cc1 ZINC000252669902 569209950 /nfs/dbraw/zinc/20/99/50/569209950.db2.gz IYHHMRGIUDRRMM-UHFFFAOYSA-N 0 0 445.610 4.126 50 0 IIAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000002236943 569212367 /nfs/dbraw/zinc/21/23/67/569212367.db2.gz VQGAXMCMTOQLHN-HNNXBMFYSA-N 0 0 443.953 4.309 50 0 IIAARN COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522935 569262720 /nfs/dbraw/zinc/26/27/20/569262720.db2.gz VESKUDXFZRDARF-GOTSBHOMSA-N 0 0 426.472 4.065 50 0 IIAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002280730 569263106 /nfs/dbraw/zinc/26/31/06/569263106.db2.gz MTKCGJZEQSZASW-UHFFFAOYSA-N 0 0 432.480 4.187 50 0 IIAARN CN(C(=O)CC[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1)C1CC[NH+](C)CC1 ZINC000012000864 569264183 /nfs/dbraw/zinc/26/41/83/569264183.db2.gz WSQVOTGSTUMHMR-ZIJNUJLOSA-N 0 0 443.676 4.164 50 0 IIAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291469 569268002 /nfs/dbraw/zinc/26/80/02/569268002.db2.gz BQMPFWCIVUUPMG-UHFFFAOYSA-N 0 0 441.466 4.234 50 0 IIAARN CC[C@@H](C)n1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 ZINC000027572154 569273673 /nfs/dbraw/zinc/27/36/73/569273673.db2.gz KSLDODSIUAWWPA-VYVDHXHBSA-N 0 0 430.508 4.452 50 0 IIAARN CCOC(=O)[C@@](NC(=O)Nc1cc(Cl)ccc1OC)(Oc1ccccc1)C(F)(F)F ZINC000002322776 569274244 /nfs/dbraw/zinc/27/42/44/569274244.db2.gz ZXJAEGHHYJUKHY-GOSISDBHSA-N 0 0 446.809 4.371 50 0 IIAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002324467 569274339 /nfs/dbraw/zinc/27/43/39/569274339.db2.gz UWSCXHSLYDJSIQ-UHFFFAOYSA-N 0 0 438.553 4.123 50 0 IIAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002335448 569274810 /nfs/dbraw/zinc/27/48/10/569274810.db2.gz GJMYNKDHKIRPIZ-UHFFFAOYSA-N 0 0 429.430 4.364 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCN5CCOCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000253500148 569283464 /nfs/dbraw/zinc/28/34/64/569283464.db2.gz YABJRYQKQLPLQE-BQFZYXLFSA-N 0 0 429.601 4.152 50 0 biogenic IIAARN Cc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1Cl ZINC000002367219 569288617 /nfs/dbraw/zinc/28/86/17/569288617.db2.gz MSKHCRKKQUBSGF-OAHLLOKOSA-N 0 0 436.899 4.454 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000009445223 569296277 /nfs/dbraw/zinc/29/62/77/569296277.db2.gz UEGVTRMFIVGJES-UHFFFAOYSA-N 0 0 441.578 4.095 50 0 IIAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000009445178 569296363 /nfs/dbraw/zinc/29/63/63/569296363.db2.gz RSBFXPOPKLBHQX-AWEZNQCLSA-N 0 0 445.566 4.120 50 0 IIAARN O=C(NCc1ccccc1)c1noc(C(=O)NCc2ccccc2)c1-c1ccccc1F ZINC000027755260 569296825 /nfs/dbraw/zinc/29/68/25/569296825.db2.gz PCSCOOANMLSPCV-UHFFFAOYSA-N 0 0 429.451 4.341 50 0 IIAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2nccs2)n1)CC(C)(C)OC3 ZINC000002405650 569300140 /nfs/dbraw/zinc/30/01/40/569300140.db2.gz YZBMLDSUARNUDM-UHFFFAOYSA-N 0 0 438.625 4.452 50 0 IIAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)O[C@@H](C(N)=O)c1ccccc1 ZINC000010937119 569301783 /nfs/dbraw/zinc/30/17/83/569301783.db2.gz NSLHRSMLXUKBEZ-YVNCXZRQSA-N 0 0 444.318 4.330 50 0 IIAARN CCCc1ccc(OCc2nc3c4cnn(Cc5ccccc5)c4ncn3n2)c(OC)c1 ZINC000002425331 569302466 /nfs/dbraw/zinc/30/24/66/569302466.db2.gz OQHQSBCKTOAWSC-UHFFFAOYSA-N 0 0 428.496 4.062 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000002429223 569302831 /nfs/dbraw/zinc/30/28/31/569302831.db2.gz FMKBPTHYQJKCPY-HXUWFJFHSA-N 0 0 437.835 4.499 50 0 IIAARN COc1ccc(CN(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000012979998 569305883 /nfs/dbraw/zinc/30/58/83/569305883.db2.gz QVSUCVHMHUEAQN-UHFFFAOYSA-N 0 0 447.560 4.491 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013010029 569306729 /nfs/dbraw/zinc/30/67/29/569306729.db2.gz DVSMELFRKIJRRL-UHFFFAOYSA-N 0 0 440.916 4.169 50 0 IIAARN Cc1nc2c(s1)c(-c1ccco1)nn(CC(=O)c1cccc(Br)c1)c2=O ZINC000013010595 569306869 /nfs/dbraw/zinc/30/68/69/569306869.db2.gz ISQVSFCQXAAPKX-UHFFFAOYSA-N 0 0 430.283 4.067 50 0 IIAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 ZINC000013038905 569307870 /nfs/dbraw/zinc/30/78/70/569307870.db2.gz PQBOUJQFZUVSHA-KRWDZBQOSA-N 0 0 437.517 4.425 50 0 IIAARN Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2n1 ZINC000013097458 569309833 /nfs/dbraw/zinc/30/98/33/569309833.db2.gz WOIVQJFJXYJKAC-NSHDSACASA-N 0 0 446.508 4.262 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)ccc1F ZINC000013114500 569310598 /nfs/dbraw/zinc/31/05/98/569310598.db2.gz VIKWUAMAZWKPDQ-UHFFFAOYSA-N 0 0 439.559 4.294 50 0 IIAARN CCCCn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2c1=O ZINC000013117671 569310991 /nfs/dbraw/zinc/31/09/91/569310991.db2.gz KABNIBGIDYRWIS-UHFFFAOYSA-N 0 0 448.504 4.301 50 0 IIAARN CN(Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137855 569311677 /nfs/dbraw/zinc/31/16/77/569311677.db2.gz ZLAZUWXJRJVJDH-XZOQPEGZSA-N 0 0 426.969 4.416 50 0 IIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 ZINC000013368355 569314598 /nfs/dbraw/zinc/31/45/98/569314598.db2.gz HWZNNMLKGGPYRZ-UHFFFAOYSA-N 0 0 441.896 4.006 50 0 IIAARN O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)NC1CCCCC1 ZINC000002461697 569316179 /nfs/dbraw/zinc/31/61/79/569316179.db2.gz DEZZGTDPRNOCHY-UHFFFAOYSA-N 0 0 428.529 4.051 50 0 IIAARN CC[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)c1ccccc1 ZINC000328590625 569316980 /nfs/dbraw/zinc/31/69/80/569316980.db2.gz UXXCHQCFFVYXRE-UYAOXDASSA-N 0 0 426.561 4.124 50 0 IIAARN CC(=O)NCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000078815103 569319315 /nfs/dbraw/zinc/31/93/15/569319315.db2.gz NDDBTUXORZAVSN-UHFFFAOYSA-N 0 0 446.482 4.116 50 0 IIAARN COC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)s1 ZINC000078869776 569319581 /nfs/dbraw/zinc/31/95/81/569319581.db2.gz MCFBRPULJASUNE-UHFFFAOYSA-N 0 0 442.562 4.140 50 0 IIAARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)cc2)n1 ZINC000078879221 569320015 /nfs/dbraw/zinc/32/00/15/569320015.db2.gz FLXGHFJARVOZQP-CPJSRVTESA-N 0 0 432.568 4.050 50 0 IIAARN C[C@H]1COc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000078949807 569320440 /nfs/dbraw/zinc/32/04/40/569320440.db2.gz FDNGHOAOBMHAQN-INIZCTEOSA-N 0 0 448.972 4.332 50 0 IIAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000078985209 569321210 /nfs/dbraw/zinc/32/12/10/569321210.db2.gz AGEUKKFGTYVEOZ-HSZRJFAPSA-N 0 0 428.523 4.184 50 0 IIAARN Cc1ccc(N2CCCC2)c(C(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000078986911 569321263 /nfs/dbraw/zinc/32/12/63/569321263.db2.gz YZCYXKPVNWBGRK-SFHVURJKSA-N 0 0 436.474 4.126 50 0 IIAARN CC(C)(C)C(=O)NCc1ccc(C(=O)OC2CCN(c3nncc4ccccc43)CC2)cc1 ZINC000078989201 569321491 /nfs/dbraw/zinc/32/14/91/569321491.db2.gz KPZWDAUKNYOFLF-UHFFFAOYSA-N 0 0 446.551 4.118 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c2cccnc12 ZINC000079044724 569322950 /nfs/dbraw/zinc/32/29/50/569322950.db2.gz IVXVZAZKZYFXDR-ZDUSSCGKSA-N 0 0 428.901 4.286 50 0 IIAARN C[C@H]1CN(Cc2ccccc2NC(=O)NCc2nccn2CCc2ccccc2)C[C@H](C)O1 ZINC000079051649 569323332 /nfs/dbraw/zinc/32/33/32/569323332.db2.gz QQLKWDINHJNPFF-SFTDATJTSA-N 0 0 447.583 4.057 50 0 IIAARN COC(=O)c1c(C2CC2)csc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000079055373 569323691 /nfs/dbraw/zinc/32/36/91/569323691.db2.gz YOYJHPQLNSNFGX-UHFFFAOYSA-N 0 0 430.570 4.073 50 0 IIAARN COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1Cn1cccn1 ZINC000079096444 569325360 /nfs/dbraw/zinc/32/53/60/569325360.db2.gz DVBWBXCZQVLTMV-GOSISDBHSA-N 0 0 435.524 4.179 50 0 IIAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000079188290 569327796 /nfs/dbraw/zinc/32/77/96/569327796.db2.gz HGRVYFIKNDRHIZ-NZQKXSOJSA-N 0 0 438.476 4.292 50 0 biogenic IIAARN COc1ccc(C2=NN(C(=O)CSC3=NCCS3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020033012 569332652 /nfs/dbraw/zinc/33/26/52/569332652.db2.gz RWIZEYAQBRCTQW-LJQANCHMSA-N 0 0 429.542 4.348 50 0 IIAARN COc1cc2c(C(=O)NCCc3ccc(Cl)cc3)cn(CC(C)C)c(=O)c2cc1OC ZINC000020104608 569334063 /nfs/dbraw/zinc/33/40/63/569334063.db2.gz JGKBRCYEHUIBCI-UHFFFAOYSA-N 0 0 442.943 4.301 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000020180614 569355135 /nfs/dbraw/zinc/35/51/35/569355135.db2.gz VNFVBPTUZULWBW-NQULZUPOSA-N 0 0 434.536 4.403 50 0 IIAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000020241803 569358067 /nfs/dbraw/zinc/35/80/67/569358067.db2.gz MTVBFYKSKJBLSP-UHFFFAOYSA-N 0 0 432.929 4.474 50 0 IIAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)N[C@H](C)CCc1ccccc1 ZINC000020242065 569358177 /nfs/dbraw/zinc/35/81/77/569358177.db2.gz ZETSJNBBPQJELC-GOSISDBHSA-N 0 0 440.565 4.011 50 0 IIAARN C[C@H]1CCN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2S1 ZINC000095351139 569362035 /nfs/dbraw/zinc/36/20/35/569362035.db2.gz UOTVBVBSZFJNLU-SFHVURJKSA-N 0 0 430.017 4.375 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1 ZINC000020414119 569364310 /nfs/dbraw/zinc/36/43/10/569364310.db2.gz UWZPMEWEKLIAMY-QFIPXVFZSA-N 0 0 436.895 4.073 50 0 IIAARN CC1CCN(c2c(=O)c(=O)c2NCC2CCC(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000020418492 569365212 /nfs/dbraw/zinc/36/52/12/569365212.db2.gz NSMYNJBGKXLUJY-UHFFFAOYSA-N 0 0 443.975 4.029 50 0 IIAARN CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000095430314 569366084 /nfs/dbraw/zinc/36/60/84/569366084.db2.gz MIFOVTDBPGSMOH-UHFFFAOYSA-N 0 0 435.524 4.138 50 0 IIAARN O=C(NC[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1)c1ccncc1Cl ZINC000095435113 569366473 /nfs/dbraw/zinc/36/64/73/569366473.db2.gz FBUVZWZVQZAGJN-CYBMUJFWSA-N 0 0 425.838 4.036 50 0 IIAARN CN(CC(C)(C)CCO)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000095453334 569368252 /nfs/dbraw/zinc/36/82/52/569368252.db2.gz CKLKIUCWBPWZKU-UHFFFAOYSA-N 0 0 440.613 4.035 50 0 IIAARN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000095454962 569368533 /nfs/dbraw/zinc/36/85/33/569368533.db2.gz HPACXWBHKVDFCG-KRWDZBQOSA-N 0 0 449.515 4.422 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)NCCCn3c4ccccc4nc(C)c3=O)c2C(C)C)cc1 ZINC000095456640 569368869 /nfs/dbraw/zinc/36/88/69/569368869.db2.gz XFCGDRAOGKUERM-UHFFFAOYSA-N 0 0 443.551 4.143 50 0 IIAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000095461313 569369839 /nfs/dbraw/zinc/36/98/39/569369839.db2.gz XZRSPWDCAIEPHY-SFHVURJKSA-N 0 0 426.929 4.085 50 0 IIAARN Cc1n[nH]c(C)c1CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095476684 569373040 /nfs/dbraw/zinc/37/30/40/569373040.db2.gz KREQCQNCJNMLPE-UHFFFAOYSA-N 0 0 438.522 4.171 50 0 IIAARN COC(=O)c1c(NC(=O)Cn2c3ccccc3oc2=O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000095482165 569374161 /nfs/dbraw/zinc/37/41/61/569374161.db2.gz CXVNDTDAQNRURT-CYBMUJFWSA-N 0 0 442.537 4.232 50 0 IIAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482385 569374371 /nfs/dbraw/zinc/37/43/71/569374371.db2.gz LXJBEYBCIPUUPZ-MRXNPFEDSA-N 0 0 434.265 4.112 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCCOc2ccccc2)S1 ZINC000020896219 569375093 /nfs/dbraw/zinc/37/50/93/569375093.db2.gz DSQLHSFKURTFIQ-HXUWFJFHSA-N 0 0 447.944 4.189 50 0 IIAARN O=c1c2cc(Br)c(Br)n2ccn1Cc1ccc(OC(F)F)cc1 ZINC000095943729 569375657 /nfs/dbraw/zinc/37/56/57/569375657.db2.gz PLDAFKAYZKBUDD-UHFFFAOYSA-N 0 0 448.061 4.276 50 0 IIAARN O=C(COc1ccccc1CNc1nnc(-c2cccc(C(F)(F)F)c2)o1)NCC1CC1 ZINC000095943652 569375703 /nfs/dbraw/zinc/37/57/03/569375703.db2.gz BSTZKNYCPQGNCY-UHFFFAOYSA-N 0 0 446.429 4.273 50 0 IIAARN Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC4CC(c5cccc(Cl)c5)C4)c3)cc21 ZINC000095945813 569375938 /nfs/dbraw/zinc/37/59/38/569375938.db2.gz ALBHFRAUNXQACN-UHFFFAOYSA-N 0 0 432.911 4.258 50 0 IIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095950325 569376721 /nfs/dbraw/zinc/37/67/21/569376721.db2.gz WAIFYCIHUVTFJG-UHFFFAOYSA-N 0 0 433.261 4.168 50 0 IIAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095964602 569377193 /nfs/dbraw/zinc/37/71/93/569377193.db2.gz DRJQSNLQJVPLPP-HNNXBMFYSA-N 0 0 428.535 4.397 50 0 IIAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000095995150 569378597 /nfs/dbraw/zinc/37/85/97/569378597.db2.gz PXRQHLQDORBELP-RDJZCZTQSA-N 0 0 431.508 4.175 50 0 IIAARN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCC[C@H](n2nccc2C(F)(F)F)C1 ZINC000095995112 569378616 /nfs/dbraw/zinc/37/86/16/569378616.db2.gz KMHFWWUGUMQCSY-INIZCTEOSA-N 0 0 446.429 4.332 50 0 IIAARN Cc1ccc(O[C@@H](C)C(=O)NCc2ccnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000096012010 569380097 /nfs/dbraw/zinc/38/00/97/569380097.db2.gz XVDZQMNVYZYXEK-PMACEKPBSA-N 0 0 447.535 4.188 50 0 IIAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 ZINC000096115416 569383310 /nfs/dbraw/zinc/38/33/10/569383310.db2.gz WTVXFUSPTNZDQU-ZJSXRUAMSA-N 0 0 441.439 4.096 50 0 biogenic IIAARN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115724 569383483 /nfs/dbraw/zinc/38/34/83/569383483.db2.gz CVTHPLCAULCDES-KRWDZBQOSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)ccc1O ZINC000096116089 569383647 /nfs/dbraw/zinc/38/36/47/569383647.db2.gz CBXOMWIZTAESBB-OFNKIYASSA-N 0 0 429.428 4.039 50 0 biogenic IIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118422 569384466 /nfs/dbraw/zinc/38/44/66/569384466.db2.gz LYHJUYNCHQAVPG-BZNIZROVSA-N 0 0 425.913 4.286 50 0 IIAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(Cl)c2)CCO1 ZINC000096118424 569384490 /nfs/dbraw/zinc/38/44/90/569384490.db2.gz LYHJUYNCHQAVPG-BDJLRTHQSA-N 0 0 425.913 4.286 50 0 IIAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000096120098 569384923 /nfs/dbraw/zinc/38/49/23/569384923.db2.gz FSNYTLLSHKGGHN-ZDUSSCGKSA-N 0 0 425.900 4.106 50 0 IIAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000096211035 569386579 /nfs/dbraw/zinc/38/65/79/569386579.db2.gz TVHPIQKFJQSRHI-UHFFFAOYSA-N 0 0 433.581 4.257 50 0 IIAARN Cn1c(CCCNC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)nc2ccccc21 ZINC000096223875 569387342 /nfs/dbraw/zinc/38/73/42/569387342.db2.gz JQVLXIBBJXWNBA-UHFFFAOYSA-N 0 0 444.358 4.150 50 0 IIAARN CCOc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275921 569388406 /nfs/dbraw/zinc/38/84/06/569388406.db2.gz FEKVYQQOUPXHSG-XMMPIXPASA-N 0 0 449.595 4.099 50 0 IIAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)cc1)NCCN1CCOCC1 ZINC000096276386 569388551 /nfs/dbraw/zinc/38/85/51/569388551.db2.gz BZFJZDPYIXBWMN-IBGZPJMESA-N 0 0 446.378 4.445 50 0 IIAARN COCCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3ccc(F)c(C)c3)c2)n1 ZINC000096278446 569389083 /nfs/dbraw/zinc/38/90/83/569389083.db2.gz VHMJXRZCBAHDOW-UHFFFAOYSA-N 0 0 436.443 4.252 50 0 IIAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2ccccc2o1 ZINC000096279276 569389346 /nfs/dbraw/zinc/38/93/46/569389346.db2.gz RCIPBUCZLVQKSY-UHFFFAOYSA-N 0 0 429.475 4.419 50 0 IIAARN CCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2ncccc2o1 ZINC000096279359 569389349 /nfs/dbraw/zinc/38/93/49/569389349.db2.gz KXPFCJANWGCATP-UHFFFAOYSA-N 0 0 438.461 4.143 50 0 IIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000096280538 569389654 /nfs/dbraw/zinc/38/96/54/569389654.db2.gz LVXCNKXVYNVAJN-VWNXMTODSA-N 0 0 437.584 4.317 50 0 IIAARN CCc1ccc([C@H]2CC[C@H](C(=O)NCCc3ccc(OC)cc3)CN2C(=O)C2CC2)cc1 ZINC000096281498 569389943 /nfs/dbraw/zinc/38/99/43/569389943.db2.gz DJMUCIANAZNVRW-UKILVPOCSA-N 0 0 434.580 4.306 50 0 IIAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(F)cc2)cc1 ZINC000096289654 569390779 /nfs/dbraw/zinc/39/07/79/569390779.db2.gz FIWNWBURVSPITA-OAHLLOKOSA-N 0 0 428.533 4.373 50 0 IIAARN COc1ccc(CN(C(C)=O)C2CC2)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096291875 569391160 /nfs/dbraw/zinc/39/11/60/569391160.db2.gz TVHGNPJJRWZODV-UHFFFAOYSA-N 0 0 444.336 4.281 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C\c1c(C)nn(C)c1C)CC2 ZINC000096295467 569391910 /nfs/dbraw/zinc/39/19/10/569391910.db2.gz AVHMNFOSLGJTSD-XXXZYALBSA-N 0 0 437.565 4.303 50 0 IIAARN CCOc1ccc(-c2noc(Cn3nc(-c4cccc(Cl)c4)ccc3=O)n2)cc1OC ZINC000096322818 569394937 /nfs/dbraw/zinc/39/49/37/569394937.db2.gz URPZMQSGCHKXAV-UHFFFAOYSA-N 0 0 438.871 4.069 50 0 IIAARN COc1ccc(-n2cc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1OC ZINC000096324305 569395815 /nfs/dbraw/zinc/39/58/15/569395815.db2.gz WHSCZKYEAOEIFE-UHFFFAOYSA-N 0 0 426.432 4.120 50 0 IIAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(F)cc2)c1 ZINC000096335959 569396658 /nfs/dbraw/zinc/39/66/58/569396658.db2.gz GQQLTBLUASXPJX-REWPJTCUSA-N 0 0 431.419 4.472 50 0 IIAARN O=C(NCCc1cccs1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000096336000 569396788 /nfs/dbraw/zinc/39/67/88/569396788.db2.gz WYPRAOLLLGNNGW-KNQAVFIVSA-N 0 0 435.476 4.245 50 0 IIAARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)NCCc2cccs2)cc1 ZINC000096335995 569396820 /nfs/dbraw/zinc/39/68/20/569396820.db2.gz KIFBPSAMEVALGF-NFBKMPQASA-N 0 0 447.512 4.115 50 0 IIAARN Cc1[nH]nc(-c2cc(S(=O)(=O)NCc3cccc(Br)c3)c(C)s2)c1C ZINC000096341505 569396913 /nfs/dbraw/zinc/39/69/13/569396913.db2.gz YRRIICWOLGIHHL-UHFFFAOYSA-N 0 0 440.388 4.304 50 0 IIAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000096358934 569397547 /nfs/dbraw/zinc/39/75/47/569397547.db2.gz HYVXSUCAUCCBBM-UHFFFAOYSA-N 0 0 448.526 4.308 50 0 IIAARN O=C(NCc1cc(F)ccc1F)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000096372458 569397829 /nfs/dbraw/zinc/39/78/29/569397829.db2.gz DGCVAALOTSQUQH-UHFFFAOYSA-N 0 0 438.478 4.033 50 0 IIAARN COc1ccc(CNC(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000096386355 569398577 /nfs/dbraw/zinc/39/85/77/569398577.db2.gz RWPXKOOXSGMPDZ-UHFFFAOYSA-N 0 0 442.972 4.062 50 0 IIAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(F)cc1)NCc1ccc(F)cc1Cl ZINC000096387157 569398904 /nfs/dbraw/zinc/39/89/04/569398904.db2.gz VKDUOKXUGSTAEP-LJQANCHMSA-N 0 0 427.838 4.421 50 0 IIAARN CCOc1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)cc1OCC ZINC000096398966 569399807 /nfs/dbraw/zinc/39/98/07/569399807.db2.gz ONKGYSDANWQOQK-UHFFFAOYSA-N 0 0 425.485 4.452 50 0 IIAARN CCc1ccc(NC(=O)CSc2nc3ccc(NS(=O)(=O)CC)cc3s2)cc1 ZINC000096399559 569400157 /nfs/dbraw/zinc/40/01/57/569400157.db2.gz HCDQYBVKSQJGBB-UHFFFAOYSA-N 0 0 435.596 4.351 50 0 IIAARN CCc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 ZINC000096399510 569400203 /nfs/dbraw/zinc/40/02/03/569400203.db2.gz CUCPPMKOZFLKSH-ZDUSSCGKSA-N 0 0 449.623 4.200 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)NC1CCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000002459413 569403464 /nfs/dbraw/zinc/40/34/64/569403464.db2.gz VDLWXOOAKLEWNT-SFTDATJTSA-N 0 0 428.554 4.125 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc3sc4ccccc4n13)CCC2 ZINC000002483645 569405066 /nfs/dbraw/zinc/40/50/66/569405066.db2.gz NCMDFQJQEDOWQZ-UHFFFAOYSA-N 0 0 444.563 4.012 50 0 IIAARN CCCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002487033 569405089 /nfs/dbraw/zinc/40/50/89/569405089.db2.gz TTXDWEDXDZTWMZ-FQEVSTJZSA-N 0 0 432.542 4.087 50 0 IIAARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 ZINC000002487377 569405170 /nfs/dbraw/zinc/40/51/70/569405170.db2.gz HFSQSEMXWSLVCF-HRAATJIYSA-N 0 0 436.533 4.477 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)on2)c(C(=O)OCC)c1C ZINC000002497907 569405689 /nfs/dbraw/zinc/40/56/89/569405689.db2.gz PZWBLDXUKSMEGD-UHFFFAOYSA-N 0 0 434.495 4.379 50 0 IIAARN O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000028302793 569409796 /nfs/dbraw/zinc/40/97/96/569409796.db2.gz AUPGAWAJTRVQTK-HSZRJFAPSA-N 0 0 444.462 4.074 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C ZINC000002644399 569414028 /nfs/dbraw/zinc/41/40/28/569414028.db2.gz DDRRBGMZVRJUSL-ZDUSSCGKSA-N 0 0 429.498 4.066 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c1C ZINC000002662182 569416260 /nfs/dbraw/zinc/41/62/60/569416260.db2.gz NHIHQNNNIWBKKG-UHFFFAOYSA-N 0 0 434.949 4.173 50 0 IIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2Cc1ccccc1 ZINC000002693454 569417173 /nfs/dbraw/zinc/41/71/73/569417173.db2.gz LAQFQHPEXAKPDP-UHFFFAOYSA-N 0 0 449.528 4.290 50 0 IIAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC(=O)[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000230006888 569417330 /nfs/dbraw/zinc/41/73/30/569417330.db2.gz ROOGAUYECSHAAP-YLJYHZDGSA-N 0 0 446.956 4.115 50 0 IIAARN CCOC(=O)[C@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 ZINC000002706198 569417476 /nfs/dbraw/zinc/41/74/76/569417476.db2.gz BEEAVAREKUNFER-LBPRGKRZSA-N 0 0 435.962 4.047 50 0 IIAARN CCOC(=O)[C@H](CC)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 ZINC000002706284 569417559 /nfs/dbraw/zinc/41/75/59/569417559.db2.gz WDDKARCKXCBVAY-KRWDZBQOSA-N 0 0 443.598 4.400 50 0 IIAARN CCOC(=O)[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 ZINC000002706391 569417569 /nfs/dbraw/zinc/41/75/69/569417569.db2.gz YYKUYZOYOAMDHC-CQSZACIVSA-N 0 0 447.561 4.149 50 0 IIAARN CCOC(=O)[C@@H](CC)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 ZINC000002706286 569417586 /nfs/dbraw/zinc/41/75/86/569417586.db2.gz WDDKARCKXCBVAY-QGZVFWFLSA-N 0 0 443.598 4.400 50 0 IIAARN Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000002717846 569417947 /nfs/dbraw/zinc/41/79/47/569417947.db2.gz IQOYPQFDHMCYLB-UHFFFAOYSA-N 0 0 425.901 4.214 50 0 IIAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)c1OC ZINC000002724791 569418459 /nfs/dbraw/zinc/41/84/59/569418459.db2.gz KVDGNJFHFUMXDW-JOCHJYFZSA-N 0 0 438.430 4.166 50 0 IIAARN Cc1ccccc1Cn1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)n1 ZINC000002728934 569418653 /nfs/dbraw/zinc/41/86/53/569418653.db2.gz TYNLBGLDZGFIMZ-UHFFFAOYSA-N 0 0 442.239 4.007 50 0 IIAARN Cn1nc(C(F)(F)F)c(Br)c1C(=O)OCc1ccc(Br)cc1 ZINC000002782536 569421372 /nfs/dbraw/zinc/42/13/72/569421372.db2.gz WHTIRWXEVZATQX-UHFFFAOYSA-N 0 0 442.029 4.321 50 0 IIAARN Cc1sc2ncn3nc(Cn4nc(C(F)(F)F)c(Br)c4C)nc3c2c1C ZINC000002789620 569421477 /nfs/dbraw/zinc/42/14/77/569421477.db2.gz PBPFFYHINXXUIR-UHFFFAOYSA-N 0 0 445.268 4.290 50 0 IIAARN COC(=O)c1sc2cc(NC(=O)Cn3cc(Br)c(C)n3)ccc2c1Cl ZINC000002794543 569422046 /nfs/dbraw/zinc/42/20/46/569422046.db2.gz OVOBRNCYKZGDJL-UHFFFAOYSA-N 0 0 442.722 4.247 50 0 IIAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000002805255 569422617 /nfs/dbraw/zinc/42/26/17/569422617.db2.gz ZTAKEOBBSHXQKY-UHFFFAOYSA-N 0 0 440.434 4.123 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1ccccc1)NCCc1ccccc1 ZINC000002908925 569424745 /nfs/dbraw/zinc/42/47/45/569424745.db2.gz BEDAVAGFOHFCFO-UHFFFAOYSA-N 0 0 449.601 4.152 50 0 IIAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(I)cc2)Nc2ncnn21 ZINC000002916428 569425077 /nfs/dbraw/zinc/42/50/77/569425077.db2.gz FTOCTSAABYKYOH-CVEARBPZSA-N 0 0 432.265 4.038 50 0 IIAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)c1ccccc1 ZINC000003241252 569442605 /nfs/dbraw/zinc/44/26/05/569442605.db2.gz FDSYYHCVZZYJII-INIZCTEOSA-N 0 0 437.277 4.275 50 0 IIAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OC/C=C/c3ccccc3)co2)CC1 ZINC000056949766 569428274 /nfs/dbraw/zinc/42/82/74/569428274.db2.gz RZVFRZGUNLDUMA-JXMROGBWSA-N 0 0 432.520 4.063 50 0 IIAARN O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1ccccc1Cl ZINC000056949970 569428477 /nfs/dbraw/zinc/42/84/77/569428477.db2.gz QHRLYVWDSQTHCT-UHFFFAOYSA-N 0 0 428.891 4.334 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000057364720 569432079 /nfs/dbraw/zinc/43/20/79/569432079.db2.gz ALVDCGSAETUDGH-SFHVURJKSA-N 0 0 435.549 4.325 50 0 IIAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000002965446 569432874 /nfs/dbraw/zinc/43/28/74/569432874.db2.gz DVDJHGFSDBJPIA-HXUWFJFHSA-N 0 0 436.537 4.072 50 0 IIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC2CCCC2)cc1C ZINC000057426335 569434556 /nfs/dbraw/zinc/43/45/56/569434556.db2.gz SABQQHYREBDMRE-UHFFFAOYSA-N 0 0 427.595 4.274 50 0 IIAARN CC(C)c1ccccc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000057427438 569434794 /nfs/dbraw/zinc/43/47/94/569434794.db2.gz VRQSTUBHDNNFER-UHFFFAOYSA-N 0 0 426.314 4.435 50 0 IIAARN c1ccc(COc2ccc(-c3noc(CN4CCN(c5ccccn5)CC4)n3)cc2)cc1 ZINC000057427845 569434811 /nfs/dbraw/zinc/43/48/11/569434811.db2.gz PJRGVFYHFXZUOD-UHFFFAOYSA-N 0 0 427.508 4.033 50 0 IIAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)ccc1F ZINC000057428648 569434923 /nfs/dbraw/zinc/43/49/23/569434923.db2.gz LCVKPJWUTKPFJA-AWEZNQCLSA-N 0 0 431.558 4.388 50 0 IIAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000057472876 569435618 /nfs/dbraw/zinc/43/56/18/569435618.db2.gz RVJBCYTYJWAPCV-UHFFFAOYSA-N 0 0 447.922 4.066 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)c(C)c1 ZINC000057473250 569435697 /nfs/dbraw/zinc/43/56/97/569435697.db2.gz XJKKICLHDRSFCU-UHFFFAOYSA-N 0 0 447.560 4.031 50 0 IIAARN 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COc1ccc(C(=O)COc2ccc(Br)cc2Br)c(OC)c1 ZINC000003449239 569451567 /nfs/dbraw/zinc/45/15/67/569451567.db2.gz BODBKUARNZJHNV-UHFFFAOYSA-N 0 0 430.092 4.491 50 0 IIAARN CC[NH+](CC)CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000003451475 569451646 /nfs/dbraw/zinc/45/16/46/569451646.db2.gz RRDKIBUHGYUEFX-UHFFFAOYSA-N 0 0 434.565 4.195 50 0 IIAARN CCOC(=O)Nc1ccc2c(COC(=O)CCOc3cccc(C)c3)cc(=O)oc2c1 ZINC000003452449 569451725 /nfs/dbraw/zinc/45/17/25/569451725.db2.gz CZGDDTPFTFJBHB-UHFFFAOYSA-N 0 0 425.437 4.182 50 0 IIAARN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1OCC ZINC000031006774 569452344 /nfs/dbraw/zinc/45/23/44/569452344.db2.gz BCYXZVDHJWWGFM-QGZVFWFLSA-N 0 0 446.569 4.299 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000003500154 569452725 /nfs/dbraw/zinc/45/27/25/569452725.db2.gz LEZXSXTVNDYTOQ-LBPRGKRZSA-N 0 0 436.368 4.244 50 0 IIAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003514097 569453059 /nfs/dbraw/zinc/45/30/59/569453059.db2.gz NJOXIEBJPFYACV-HNNXBMFYSA-N 0 0 444.443 4.085 50 0 IIAARN C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003530261 569453329 /nfs/dbraw/zinc/45/33/29/569453329.db2.gz DXTNXWJLBZUBJM-SNVBAGLBSA-N 0 0 429.778 4.314 50 0 IIAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1O ZINC000217808874 569453583 /nfs/dbraw/zinc/45/35/83/569453583.db2.gz DZMFABCNVCLCEL-QGZVFWFLSA-N 0 0 430.412 4.321 50 0 biogenic IIAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003543458 569453661 /nfs/dbraw/zinc/45/36/61/569453661.db2.gz BAQHMJDATWMMPT-UHFFFAOYSA-N 0 0 445.928 4.165 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000003549335 569453731 /nfs/dbraw/zinc/45/37/31/569453731.db2.gz BDLYGKHQIYLEDQ-UHFFFAOYSA-N 0 0 430.913 4.426 50 0 IIAARN COc1ccc(NC(=O)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 ZINC000003615130 569455054 /nfs/dbraw/zinc/45/50/54/569455054.db2.gz AWYGCPCLFDKOMY-VWLOTQADSA-N 0 0 443.503 4.224 50 0 biogenic IIAARN C[C@H]1CC(=Cc2ccc3c(c2)OCO3)C2=NC(=S)N[C@@H](c3ccc4c(c3)OCO4)C2C1 ZINC000058472728 569455083 /nfs/dbraw/zinc/45/50/83/569455083.db2.gz FTAJQUDFPIRMPD-PGRPLKTESA-N 0 0 434.517 4.430 50 0 IIAARN O=C(NCc1ccco1)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)c(=S)[nH]c2c1 ZINC000003632040 569455400 /nfs/dbraw/zinc/45/54/00/569455400.db2.gz XMGIQFZDTQIJLP-UHFFFAOYSA-N 0 0 445.422 4.216 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653676 569455688 /nfs/dbraw/zinc/45/56/88/569455688.db2.gz LOVFNJOCVRAMTL-UHFFFAOYSA-N 0 0 425.487 4.199 50 0 IIAARN CC(=O)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1C ZINC000003653986 569455759 /nfs/dbraw/zinc/45/57/59/569455759.db2.gz GQNNRBVNMOJYOF-UHFFFAOYSA-N 0 0 431.466 4.197 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000031492905 569456543 /nfs/dbraw/zinc/45/65/43/569456543.db2.gz IODJIEZECMREGX-LJQANCHMSA-N 0 0 426.561 4.095 50 0 IIAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)co2)c(C)c1 ZINC000031536286 569456708 /nfs/dbraw/zinc/45/67/08/569456708.db2.gz RWZKEKYJUVCBMG-UHFFFAOYSA-N 0 0 445.972 4.118 50 0 IIAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000058735856 569456898 /nfs/dbraw/zinc/45/68/98/569456898.db2.gz DUDMTGZSDQRPSL-GFCCVEGCSA-N 0 0 442.821 4.490 50 0 IIAARN O=C(c1csc(-c2ccsc2)n1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031619890 569456935 /nfs/dbraw/zinc/45/69/35/569456935.db2.gz YSEHMHZSMMAAHC-UHFFFAOYSA-N 0 0 437.590 4.309 50 0 IIAARN Cc1ccc(C(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000031773866 569457341 /nfs/dbraw/zinc/45/73/41/569457341.db2.gz GMVBWTOTZFOPIY-JOCHJYFZSA-N 0 0 426.513 4.091 50 0 IIAARN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C(F)(F)F)C(F)(F)F)cc1 ZINC000004065736 569458551 /nfs/dbraw/zinc/45/85/51/569458551.db2.gz DBKQOQITEVFLQJ-ZDUSSCGKSA-N 0 0 440.340 4.140 50 0 IIAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000031959840 569458585 /nfs/dbraw/zinc/45/85/85/569458585.db2.gz VQPVBWGVYHEOBA-UHFFFAOYSA-N 0 0 425.510 4.024 50 0 IIAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@]43C(=O)Nc4c3cccc4C)sc2c1 ZINC000032095051 569459806 /nfs/dbraw/zinc/45/98/06/569459806.db2.gz WTBPIONAPZAICQ-QFIPXVFZSA-N 0 0 431.477 4.029 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)cc1Cl ZINC000032102169 569460140 /nfs/dbraw/zinc/46/01/40/569460140.db2.gz KGGGQXYUJVAQSM-UHFFFAOYSA-N 0 0 435.867 4.309 50 0 IIAARN Cc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccccc1Cl ZINC000004145684 569460399 /nfs/dbraw/zinc/46/03/99/569460399.db2.gz PNMULIHBIBYJFP-MRXNPFEDSA-N 0 0 442.972 4.283 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000004208109 569460935 /nfs/dbraw/zinc/46/09/35/569460935.db2.gz DZEUPSZTHMPXLG-GOSISDBHSA-N 0 0 430.810 4.012 50 0 IIAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000229679679 569461362 /nfs/dbraw/zinc/46/13/62/569461362.db2.gz RVGIQKOOQUSUFV-PDGJWGCVSA-N 0 0 444.874 4.206 50 0 IIAARN O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000032380032 569461470 /nfs/dbraw/zinc/46/14/70/569461470.db2.gz VRCOQLBLJHOLEF-NRFANRHFSA-N 0 0 427.595 4.427 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004283452 569461813 /nfs/dbraw/zinc/46/18/13/569461813.db2.gz QHACJMHKTGAYNI-UHFFFAOYSA-N 0 0 432.863 4.196 50 0 IIAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCn1ccc2ccccc21)c1ccccc1 ZINC000007989509 569462036 /nfs/dbraw/zinc/46/20/36/569462036.db2.gz UTVIITPRTOMGKN-DEOSSOPVSA-N 0 0 425.532 4.189 50 0 IIAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CCC(=O)OC ZINC000008387300 569462732 /nfs/dbraw/zinc/46/27/32/569462732.db2.gz RLVCODROXHHOBC-UHFFFAOYSA-N 0 0 440.315 4.246 50 0 IIAARN CCOc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC ZINC000008388046 569462741 /nfs/dbraw/zinc/46/27/41/569462741.db2.gz WQUXYVBDAMQNSL-DRQCUQGNSA-N 0 0 428.573 4.390 50 0 IIAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1ccc(Cl)cc1 ZINC000038486955 569462839 /nfs/dbraw/zinc/46/28/39/569462839.db2.gz QYRPXKNVNPTHMS-UHFFFAOYSA-N 0 0 434.912 4.428 50 0 IIAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3cccc(Cl)c3)c4=O)n2)cc1 ZINC000038487732 569462921 /nfs/dbraw/zinc/46/29/21/569462921.db2.gz ZSZUUNTVXCSRNK-UHFFFAOYSA-N 0 0 444.878 4.417 50 0 IIAARN COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)c1OC ZINC000038546167 569463508 /nfs/dbraw/zinc/46/35/08/569463508.db2.gz PRXJHFMVSUWBNS-HXUWFJFHSA-N 0 0 442.537 4.341 50 0 IIAARN COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)c1 ZINC000038546403 569463571 /nfs/dbraw/zinc/46/35/71/569463571.db2.gz BHRKXYYYOYGWSL-NRFANRHFSA-N 0 0 425.554 4.247 50 0 IIAARN CN(C(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)c1cccc(Cl)c1 ZINC000067208635 569464751 /nfs/dbraw/zinc/46/47/51/569464751.db2.gz YAGKNSMXBCFVGC-UHFFFAOYSA-N 0 0 443.894 4.028 50 0 IIAARN CC(C)c1ccccc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208661 569464776 /nfs/dbraw/zinc/46/47/76/569464776.db2.gz GRQIFLOJBDCXTH-UHFFFAOYSA-N 0 0 437.503 4.473 50 0 IIAARN COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc2ccsc2c1=O ZINC000067216261 569464894 /nfs/dbraw/zinc/46/48/94/569464894.db2.gz AHJKPIWUOOQUTO-UHFFFAOYSA-N 0 0 437.546 4.495 50 0 IIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)no1 ZINC000067216892 569464934 /nfs/dbraw/zinc/46/49/34/569464934.db2.gz TZJRVKBGZHYITC-UHFFFAOYSA-N 0 0 426.523 4.091 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(C(C)C)c(=O)c2[nH]1 ZINC000067236011 569465372 /nfs/dbraw/zinc/46/53/72/569465372.db2.gz HINWIPCNGCXNJV-UHFFFAOYSA-N 0 0 435.347 4.107 50 0 IIAARN CSc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 ZINC000067236778 569465410 /nfs/dbraw/zinc/46/54/10/569465410.db2.gz GOWNVUVQHYAQEY-UHFFFAOYSA-N 0 0 436.562 4.475 50 0 IIAARN Cc1cc2nc(SCC(=O)N(C)c3cccc(C)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237185 569465484 /nfs/dbraw/zinc/46/54/84/569465484.db2.gz STCXNVMDYJSJGG-UHFFFAOYSA-N 0 0 432.549 4.394 50 0 IIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000067238935 569465652 /nfs/dbraw/zinc/46/56/52/569465652.db2.gz GFMZVJYSCWGXSX-LBPRGKRZSA-N 0 0 449.374 4.497 50 0 IIAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(c4ccccc4F)CC2)nc3=O)cc1 ZINC000067245898 569465965 /nfs/dbraw/zinc/46/59/65/569465965.db2.gz YFUBBKDYRZGWMD-UHFFFAOYSA-N 0 0 436.512 4.126 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccccc2C(C)C)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067255285 569465982 /nfs/dbraw/zinc/46/59/82/569465982.db2.gz SLMXDRFBBAYUIQ-UHFFFAOYSA-N 0 0 438.549 4.060 50 0 IIAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cc(F)ccc3Cl)oc21 ZINC000067293967 569467863 /nfs/dbraw/zinc/46/78/63/569467863.db2.gz KVIOVBYNDHWBNO-KQYPGELLSA-N 0 0 430.863 4.375 50 0 IIAARN CCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298070 569468112 /nfs/dbraw/zinc/46/81/12/569468112.db2.gz VHQWAOLOBHLSLL-GFMRDNFCSA-N 0 0 435.461 4.256 50 0 IIAARN CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067299642 569468139 /nfs/dbraw/zinc/46/81/39/569468139.db2.gz FAHJNNYDODMKOQ-UHFFFAOYSA-N 0 0 426.586 4.050 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729530 569468352 /nfs/dbraw/zinc/46/83/52/569468352.db2.gz WQXKXFWEEKFIJS-WOJBJXKFSA-N 0 0 435.524 4.037 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)Nc3ccc(C)cc3Cl)c2c(=O)n1CC(C)C ZINC000067319965 569468586 /nfs/dbraw/zinc/46/85/86/569468586.db2.gz BMYGIWIVHFPPSU-UHFFFAOYSA-N 0 0 432.977 4.485 50 0 IIAARN CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067319571 569468597 /nfs/dbraw/zinc/46/85/97/569468597.db2.gz XNOHKZVHZFGZHA-UHFFFAOYSA-N 0 0 446.576 4.302 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 ZINC000067335274 569468878 /nfs/dbraw/zinc/46/88/78/569468878.db2.gz OJFDXTGBHLPJTI-UHFFFAOYSA-N 0 0 441.534 4.229 50 0 IIAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1I)CSC2 ZINC000008660842 569469737 /nfs/dbraw/zinc/46/97/37/569469737.db2.gz UXROSYFPRYHEDO-UHFFFAOYSA-N 0 0 427.311 4.242 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N(CC)CC)c3ccccc3C(=O)N1CC2 ZINC000008661610 569469872 /nfs/dbraw/zinc/46/98/72/569469872.db2.gz NKBVMTIIEOGNFN-DNQXCXABSA-N 0 0 436.552 4.189 50 0 IIAARN CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008662325 569469933 /nfs/dbraw/zinc/46/99/33/569469933.db2.gz ANICMVNTRGPEKT-LYYXXJGMSA-N 0 0 440.584 4.321 50 0 IIAARN Cc1nc(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(C(N)=O)c(C)c1C ZINC000008704006 569470278 /nfs/dbraw/zinc/47/02/78/569470278.db2.gz HVBIBZSSZMCMRK-UHFFFAOYSA-N 0 0 436.562 4.363 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C)c(C)c(C)c2C(N)=O)cs1 ZINC000008704920 569470345 /nfs/dbraw/zinc/47/03/45/569470345.db2.gz YHLDWJSYCOIXNH-UHFFFAOYSA-N 0 0 440.594 4.344 50 0 IIAARN CCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)C(C)=Nc2ncnn21 ZINC000008717602 569471119 /nfs/dbraw/zinc/47/11/19/569471119.db2.gz BZVVZMSBGYYWRO-QGZVFWFLSA-N 0 0 435.322 4.070 50 0 IIAARN COc1ccccc1NC(=O)c1sc2ncn([C@H](C)C(=O)c3ccccc3)c(=O)c2c1C ZINC000008717862 569471172 /nfs/dbraw/zinc/47/11/72/569471172.db2.gz DALWYWXLYITQQZ-OAHLLOKOSA-N 0 0 447.516 4.471 50 0 IIAARN COc1cc(Br)c(CC(=O)NCCCn2ccc3ccccc32)cc1OC ZINC000008719369 569471423 /nfs/dbraw/zinc/47/14/23/569471423.db2.gz CJFQYOXBTJJIAE-UHFFFAOYSA-N 0 0 431.330 4.170 50 0 IIAARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008719964 569471532 /nfs/dbraw/zinc/47/15/32/569471532.db2.gz RZGHPNBNIBAXIX-UHFFFAOYSA-N 0 0 426.929 4.149 50 0 IIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008721150 569471697 /nfs/dbraw/zinc/47/16/97/569471697.db2.gz SDIYWMKYFMGMDM-UHFFFAOYSA-N 0 0 447.626 4.168 50 0 IIAARN COC(=O)C[C@H](NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccccc1 ZINC000008725270 569472141 /nfs/dbraw/zinc/47/21/41/569472141.db2.gz JDYQXAGWPYZSQU-QHCPKHFHSA-N 0 0 443.503 4.256 50 0 IIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)c1C ZINC000008726659 569472303 /nfs/dbraw/zinc/47/23/03/569472303.db2.gz ADUDRVKTSZNHQG-UHFFFAOYSA-N 0 0 433.331 4.357 50 0 IIAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(C)(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008740098 569472791 /nfs/dbraw/zinc/47/27/91/569472791.db2.gz BHKYELZPAFWBHO-SFHVURJKSA-N 0 0 440.540 4.073 50 0 biogenic IIAARN O=C(C=Cc1ccc(Br)cc1)NC(=S)N1CCCC[C@@H]1c1cccnc1 ZINC000008742804 569473010 /nfs/dbraw/zinc/47/30/10/569473010.db2.gz DLMIZNSZVJLGAH-VEGGFIAOSA-N 0 0 430.371 4.486 50 0 biogenic IIAARN CCn1c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3cccs3)cc2[nH]c(=O)c1=O ZINC000008748089 569473143 /nfs/dbraw/zinc/47/31/43/569473143.db2.gz APMHVTJUURRABP-KRWDZBQOSA-N 0 0 447.560 4.045 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000008748569 569473196 /nfs/dbraw/zinc/47/31/96/569473196.db2.gz IYHFMJARUKNTMH-QFIPXVFZSA-N 0 0 434.540 4.282 50 0 IIAARN COC[C@@H](C)n1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000008769438 569475057 /nfs/dbraw/zinc/47/50/57/569475057.db2.gz NUSWWWSITRBUBX-UTKZUKDTSA-N 0 0 437.565 4.060 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCc4ccccc4OC)ccc32)cc1 ZINC000008790418 569476021 /nfs/dbraw/zinc/47/60/21/569476021.db2.gz NTWYQUZVBLVINY-UHFFFAOYSA-N 0 0 445.471 4.172 50 0 biogenic IIAARN CC[C@@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=O ZINC000008790812 569476090 /nfs/dbraw/zinc/47/60/90/569476090.db2.gz GZZRSOQGESJHHY-WIEQDCTASA-N 0 0 430.508 4.151 50 0 biogenic IIAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)NC[C@@H](O)c4ccccc4)c(=O)oc12)CCCC3 ZINC000008791416 569476197 /nfs/dbraw/zinc/47/61/97/569476197.db2.gz JLMBXUOGZVUHHY-JOCHJYFZSA-N 0 0 445.515 4.427 50 0 biogenic IIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008825163 569477265 /nfs/dbraw/zinc/47/72/65/569477265.db2.gz GDXFDHFJBNXZRG-UHFFFAOYSA-N 0 0 440.487 4.451 50 0 IIAARN CCn1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c(=O)c2ccc(C)nc21 ZINC000008825432 569477382 /nfs/dbraw/zinc/47/73/82/569477382.db2.gz GJEZOOKAZYJMIY-UHFFFAOYSA-N 0 0 433.508 4.039 50 0 IIAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000008827440 569477608 /nfs/dbraw/zinc/47/76/08/569477608.db2.gz MQAUJNDCYUMZRJ-IBGZPJMESA-N 0 0 446.484 4.403 50 0 IIAARN CCOc1ccc(-c2csc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c23)cc1 ZINC000008847134 569479140 /nfs/dbraw/zinc/47/91/40/569479140.db2.gz FKHXKWXWMLWDIQ-UHFFFAOYSA-N 0 0 433.533 4.182 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)c1 ZINC000008851012 569479358 /nfs/dbraw/zinc/47/93/58/569479358.db2.gz OOFOYTXGXNDGDD-UHFFFAOYSA-N 0 0 431.514 4.203 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 ZINC000008851412 569479409 /nfs/dbraw/zinc/47/94/09/569479409.db2.gz XMCWDVMGOSVCHG-OAHLLOKOSA-N 0 0 441.578 4.302 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc2c(c1)CCCC2 ZINC000008852277 569479452 /nfs/dbraw/zinc/47/94/52/569479452.db2.gz GPRZAGWDZFLJAJ-CQSZACIVSA-N 0 0 441.988 4.161 50 0 IIAARN COc1ccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852798 569479504 /nfs/dbraw/zinc/47/95/04/569479504.db2.gz LZFLYJVOHVMIIL-UHFFFAOYSA-N 0 0 441.578 4.050 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1csc(-c2ccsc2)n1 ZINC000008853275 569479537 /nfs/dbraw/zinc/47/95/37/569479537.db2.gz CQXHXXOFFXPIRG-UHFFFAOYSA-N 0 0 445.547 4.195 50 0 IIAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c2ccccc2S1 ZINC000008855660 569479679 /nfs/dbraw/zinc/47/96/79/569479679.db2.gz XLRYEUULQNQXMP-PEBXRYMYSA-N 0 0 443.956 4.025 50 0 IIAARN COc1ccc(N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000008856556 569479780 /nfs/dbraw/zinc/47/97/80/569479780.db2.gz MCLCZZCOBFYQFT-INIZCTEOSA-N 0 0 449.307 4.021 50 0 IIAARN COCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000008860958 569479945 /nfs/dbraw/zinc/47/99/45/569479945.db2.gz TXIBSACOVKYANS-OAHLLOKOSA-N 0 0 442.972 4.315 50 0 IIAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000008862176 569480090 /nfs/dbraw/zinc/48/00/90/569480090.db2.gz QSMLAYNEIMZWHM-SANMLTNESA-N 0 0 448.519 4.155 50 0 IIAARN COc1ccccc1CNc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000008862185 569480144 /nfs/dbraw/zinc/48/01/44/569480144.db2.gz ICUQRJGAHXXRPM-UHFFFAOYSA-N 0 0 429.567 4.215 50 0 IIAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000040016159 569482545 /nfs/dbraw/zinc/48/25/45/569482545.db2.gz FODNMJRISSCASY-UHFFFAOYSA-N 0 0 433.489 4.119 50 0 IIAARN CCCCn1nc(C)c(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1Cl ZINC000040013074 569482589 /nfs/dbraw/zinc/48/25/89/569482589.db2.gz KNIQTBJDLDMYGJ-UHFFFAOYSA-N 0 0 449.264 4.290 50 0 IIAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000008882136 569482916 /nfs/dbraw/zinc/48/29/16/569482916.db2.gz BBYDNWPJBPVNJQ-UHFFFAOYSA-N 0 0 443.459 4.420 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000040039814 569483321 /nfs/dbraw/zinc/48/33/21/569483321.db2.gz QEJGOFWLBMYHOQ-ZENOOKHLSA-N 0 0 436.927 4.429 50 0 IIAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008898697 569483979 /nfs/dbraw/zinc/48/39/79/569483979.db2.gz GTZPNACTMHXGHU-OAHLLOKOSA-N 0 0 436.537 4.094 50 0 IIAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000008900212 569484070 /nfs/dbraw/zinc/48/40/70/569484070.db2.gz QSHLJEHGXXIACX-HHHXNRCGSA-N 0 0 439.515 4.248 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1F ZINC000040050818 569484254 /nfs/dbraw/zinc/48/42/54/569484254.db2.gz AKWXIYIXPPFPAT-JOCHJYFZSA-N 0 0 428.467 4.331 50 0 IIAARN O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000008902044 569484382 /nfs/dbraw/zinc/48/43/82/569484382.db2.gz XIAZJLRBACOBMH-UHFFFAOYSA-N 0 0 438.867 4.381 50 0 IIAARN Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)sc2nc(C3CC3)nc(C)c12 ZINC000040052390 569484528 /nfs/dbraw/zinc/48/45/28/569484528.db2.gz ZQZMYQRBQLSTMR-UHFFFAOYSA-N 0 0 447.564 4.473 50 0 IIAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058991 569484722 /nfs/dbraw/zinc/48/47/22/569484722.db2.gz YNZXIMXBCCNBHV-XXBNENTESA-N 0 0 444.560 4.382 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)c(Br)c1 ZINC000040061713 569484842 /nfs/dbraw/zinc/48/48/42/569484842.db2.gz RWPKQBRTQHPHAG-UHFFFAOYSA-N 0 0 446.750 4.100 50 0 IIAARN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000040059971 569484885 /nfs/dbraw/zinc/48/48/85/569484885.db2.gz FHQPHHISCZATHX-UHFFFAOYSA-N 0 0 441.500 4.003 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)c1 ZINC000008912585 569485050 /nfs/dbraw/zinc/48/50/50/569485050.db2.gz GPRASLBDOOAPEC-UHFFFAOYSA-N 0 0 431.536 4.000 50 0 IIAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)s1 ZINC000008912644 569485084 /nfs/dbraw/zinc/48/50/84/569485084.db2.gz FSCRFUFABGIXEX-OAQYLSRUSA-N 0 0 435.597 4.356 50 0 IIAARN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000040069343 569485334 /nfs/dbraw/zinc/48/53/34/569485334.db2.gz CITRRRIGMJWUOJ-CQSZACIVSA-N 0 0 431.334 4.142 50 0 IIAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)ccc1O ZINC000008917084 569485924 /nfs/dbraw/zinc/48/59/24/569485924.db2.gz URNXRMZFGVKKDP-JOCHJYFZSA-N 0 0 437.492 4.176 50 0 IIAARN COc1cc(C(=O)N[C@@H](C(=O)N[C@H](C)c2cc(C)sc2C)C(C)C)cc(OC)c1OC ZINC000040074241 569486214 /nfs/dbraw/zinc/48/62/14/569486214.db2.gz DAWUKJIRDWOLDR-JLTOFOAXSA-N 0 0 448.585 4.023 50 0 IIAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)c(OC)c1 ZINC000008922451 569486948 /nfs/dbraw/zinc/48/69/48/569486948.db2.gz IMWIVNMMSLWFET-HHHXNRCGSA-N 0 0 445.515 4.144 50 0 IIAARN O=C(NCC1(c2ccccc2)CCOCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103401 569488023 /nfs/dbraw/zinc/48/80/23/569488023.db2.gz MVFFZMQDUWALIL-UHFFFAOYSA-N 0 0 429.948 4.047 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCN(Cc2ccncc2)CC1 ZINC000040103792 569488131 /nfs/dbraw/zinc/48/81/31/569488131.db2.gz DUHGIJNEBZLOQP-UHFFFAOYSA-N 0 0 433.478 4.050 50 0 IIAARN CN(Cc1ccccc1Br)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 ZINC000040104620 569488195 /nfs/dbraw/zinc/48/81/95/569488195.db2.gz CWMVOVTWOOQLKW-UHFFFAOYSA-N 0 0 427.306 4.101 50 0 IIAARN COc1ccc(CCN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000008943242 569488751 /nfs/dbraw/zinc/48/87/51/569488751.db2.gz FHUSGISZYVWSRT-UHFFFAOYSA-N 0 0 432.520 4.048 50 0 IIAARN CC(C)c1ccc(CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)C2CC2)cc1 ZINC000040117667 569489306 /nfs/dbraw/zinc/48/93/06/569489306.db2.gz DNILVIJENUJHAO-JOCHJYFZSA-N 0 0 437.515 4.345 50 0 IIAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000008952129 569490017 /nfs/dbraw/zinc/49/00/17/569490017.db2.gz QXPMYJUKSZAOSL-UHFFFAOYSA-N 0 0 425.696 4.191 50 0 IIAARN Cc1ccc(Cc2cnc(NC(=O)CCS(=O)(=O)C3CCCC3)s2)cc1Cl ZINC000040132637 569490399 /nfs/dbraw/zinc/49/03/99/569490399.db2.gz AREPSXNISXIKSZ-UHFFFAOYSA-N 0 0 426.991 4.382 50 0 IIAARN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000040139219 569490856 /nfs/dbraw/zinc/49/08/56/569490856.db2.gz TZLGUDNMWVXIRZ-XJKSGUPXSA-N 0 0 425.583 4.303 50 0 IIAARN O=C(NC1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1)c1ccccn1 ZINC000040139379 569490876 /nfs/dbraw/zinc/49/08/76/569490876.db2.gz UVWACKQKSWUVLA-UHFFFAOYSA-N 0 0 442.563 4.208 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCc2ccccc21 ZINC000008965308 569491404 /nfs/dbraw/zinc/49/14/04/569491404.db2.gz XBIKCAXDXKBYSA-UHFFFAOYSA-N 0 0 426.520 4.174 50 0 IIAARN COc1ccc(-c2csc(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)cc1F ZINC000040141439 569491705 /nfs/dbraw/zinc/49/17/05/569491705.db2.gz DJMDDUHBKFAJKT-UHFFFAOYSA-N 0 0 433.896 4.254 50 0 IIAARN O=S(=O)(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008966241 569491731 /nfs/dbraw/zinc/49/17/31/569491731.db2.gz WYDZLZIFXRUBKN-GOSISDBHSA-N 0 0 440.546 4.111 50 0 IIAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c(C)c1 ZINC000008967363 569491790 /nfs/dbraw/zinc/49/17/90/569491790.db2.gz JSIKSXIHEFZXQP-UHFFFAOYSA-N 0 0 428.004 4.139 50 0 IIAARN COc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 ZINC000040143261 569491871 /nfs/dbraw/zinc/49/18/71/569491871.db2.gz BSSNAXJUSZFUEI-UHFFFAOYSA-N 0 0 428.330 4.233 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 ZINC000040142785 569491917 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Cc1ccc2c(CC(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1C ZINC000008966066 132298980 /nfs/dbraw/zinc/29/89/80/132298980.db2.gz HAWYZRQZXBTUEA-QHCPKHFHSA-N 0 0 432.520 4.399 50 0 IIAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000008993390 132300046 /nfs/dbraw/zinc/30/00/46/132300046.db2.gz TZCYPNIKQUUCJN-UHFFFAOYSA-N 0 0 440.499 4.188 50 0 biogenic IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(c2ccccc2)CC1)OC(C)(C)CC3 ZINC000009061268 132301782 /nfs/dbraw/zinc/30/17/82/132301782.db2.gz GBDROMBCESWNPG-UHFFFAOYSA-N 0 0 446.547 4.096 50 0 IIAARN O=C(CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1Cl ZINC000009114898 132303458 /nfs/dbraw/zinc/30/34/58/132303458.db2.gz JSANVKWSJJKKIP-JOCHJYFZSA-N 0 0 435.911 4.298 50 0 IIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1 ZINC000009115909 132303734 /nfs/dbraw/zinc/30/37/34/132303734.db2.gz LWUAZXVOHOTXJU-UHFFFAOYSA-N 0 0 444.000 4.216 50 0 IIAARN C[C@@H]1CCCN(c2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc32)C1 ZINC000009116952 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C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)Nc1ccccc1F ZINC000013097807 132344349 /nfs/dbraw/zinc/34/43/49/132344349.db2.gz BRYHXDFLGGNBON-ZDUSSCGKSA-N 0 0 439.409 4.026 50 0 IIAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N1CCN(c2ccccn2)CC1 ZINC000013369129 132346751 /nfs/dbraw/zinc/34/67/51/132346751.db2.gz GRRJJMKWSUPMNS-UHFFFAOYSA-N 0 0 431.927 4.101 50 0 IIAARN CC(=O)c1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cs1 ZINC000012835598 518260931 /nfs/dbraw/zinc/26/09/31/518260931.db2.gz IDLLQLBKDCSVEZ-OAHLLOKOSA-N 0 0 434.508 4.178 50 0 IIAARN CC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012926241 518357158 /nfs/dbraw/zinc/35/71/58/518357158.db2.gz JJSOPQKHMVZFSM-UHFFFAOYSA-N 0 0 428.554 4.025 50 0 IIAARN CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 ZINC000021174359 518377719 /nfs/dbraw/zinc/37/77/19/518377719.db2.gz QSUBXYWIWTUVOI-KRWDZBQOSA-N 0 0 429.520 4.500 50 0 IIAARN CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3Cl)[C@H]2C1=O 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438.963 4.041 50 0 IIAARN CC(=O)N1CCc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)ccc21 ZINC000012749325 519631797 /nfs/dbraw/zinc/63/17/97/519631797.db2.gz XVBVBVFIWBZEOM-NSHDSACASA-N 0 0 437.721 4.418 50 0 IIAARN CC(=O)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc21 ZINC000023293075 519635053 /nfs/dbraw/zinc/63/50/53/519635053.db2.gz HXDUJCAKZMQRBY-INIZCTEOSA-N 0 0 432.320 4.477 50 0 IIAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(Cl)c(C)c3)cc2)S1 ZINC000020895588 519643236 /nfs/dbraw/zinc/64/32/36/519643236.db2.gz KVRBQQJAQKZLAN-FQEVSTJZSA-N 0 0 447.944 4.107 50 0 IIAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1ccco1 ZINC000021911648 519661525 /nfs/dbraw/zinc/66/15/25/519661525.db2.gz QALGIPBWJNOMTJ-OAQYLSRUSA-N 0 0 425.554 4.109 50 0 IIAARN CC(C)CCn1c2nnc(SCC(=O)Nc3ccc(F)cc3)n2c2ccsc2c1=O ZINC000035531643 519701162 /nfs/dbraw/zinc/70/11/62/519701162.db2.gz GJZXBRNOZBBXFS-UHFFFAOYSA-N 0 0 445.545 4.022 50 0 IIAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000020899802 519713240 /nfs/dbraw/zinc/71/32/40/519713240.db2.gz AAHHNORKAWZRNJ-UHFFFAOYSA-N 0 0 440.503 4.277 50 0 IIAARN CC(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000023175870 519714422 /nfs/dbraw/zinc/71/44/22/519714422.db2.gz VTSQXDPPFQBDLU-HXUWFJFHSA-N 0 0 425.535 4.247 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1 ZINC000035426741 519722830 /nfs/dbraw/zinc/72/28/30/519722830.db2.gz BICMFACOVQNHJN-UHFFFAOYSA-N 0 0 434.525 4.090 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1Cl ZINC000022312033 519726431 /nfs/dbraw/zinc/72/64/31/519726431.db2.gz SVXRBOKHUNEIEY-UHFFFAOYSA-N 0 0 432.885 4.118 50 0 IIAARN CC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1 ZINC000021364272 519741266 /nfs/dbraw/zinc/74/12/66/519741266.db2.gz SMDKBFMXPVSROT-LBPRGKRZSA-N 0 0 439.821 4.309 50 0 IIAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000020899497 519750336 /nfs/dbraw/zinc/75/03/36/519750336.db2.gz IBUDVWQOYVFROE-UHFFFAOYSA-N 0 0 446.894 4.314 50 0 IIAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012892073 519752501 /nfs/dbraw/zinc/75/25/01/519752501.db2.gz TYMNJKUZOBTAQM-FBCSTPJJSA-N 0 0 438.568 4.398 50 0 IIAARN CC(C)COc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000033153833 519762096 /nfs/dbraw/zinc/76/20/96/519762096.db2.gz QRNJNWMARROPQP-GLFIFPSUSA-N 0 0 445.544 4.217 50 0 IIAARN CC(C)OCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855786 519762219 /nfs/dbraw/zinc/76/22/19/519762219.db2.gz CSJZMQJWZXDVPC-RUZDIDTESA-N 0 0 425.573 4.120 50 0 IIAARN CC(C)OCCCNC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021879672 519764096 /nfs/dbraw/zinc/76/40/96/519764096.db2.gz ZDPMBRIODAKUKS-UHFFFAOYSA-N 0 0 446.551 4.032 50 0 IIAARN CC(C)Oc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000020549926 519778171 /nfs/dbraw/zinc/77/81/71/519778171.db2.gz BYMLXCAAQJYCSH-UHFFFAOYSA-N 0 0 433.552 4.141 50 0 IIAARN 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447.535 4.126 50 0 IIAARN COc1cc(Cl)c(NC(=O)c2cccn3c2nnc3-c2ccccc2F)c(OC)c1 ZINC000021723816 522529034 /nfs/dbraw/zinc/52/90/34/522529034.db2.gz CZSVEANBIJFDJX-UHFFFAOYSA-N 0 0 426.835 4.458 50 0 IIAARN COc1cc(Cl)c(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000012418130 522530312 /nfs/dbraw/zinc/53/03/12/522530312.db2.gz WIZIGUHFQKCQLH-UHFFFAOYSA-N 0 0 434.385 4.266 50 0 IIAARN COc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000012931243 522661098 /nfs/dbraw/zinc/66/10/98/522661098.db2.gz YBOBKJYMSQFEGC-HSZRJFAPSA-N 0 0 438.549 4.360 50 0 IIAARN COc1cc(NC(=O)COc2ccccc2)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020722933 522664573 /nfs/dbraw/zinc/66/45/73/522664573.db2.gz XUEDIAASZUEILT-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN COc1cc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4OC)nn3)C2)cc(OC)c1 ZINC000022485024 522715420 /nfs/dbraw/zinc/71/54/20/522715420.db2.gz UCDUAHIKEMSOAK-KRWDZBQOSA-N 0 0 448.523 4.025 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c1 ZINC000015881047 522858045 /nfs/dbraw/zinc/85/80/45/522858045.db2.gz NPVXYXAMRSPMAE-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COCc1c(C(=O)NCc2ccc(C)cc2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012211995 522898945 /nfs/dbraw/zinc/89/89/45/522898945.db2.gz CURRUOVJNQALJH-UHFFFAOYSA-N 0 0 447.564 4.392 50 0 IIAARN COCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)sc2cccc(F)c21 ZINC000012933772 522902347 /nfs/dbraw/zinc/90/23/47/522902347.db2.gz JPYWEORPOPAHKA-NSHDSACASA-N 0 0 431.441 4.100 50 0 IIAARN CN(CC[C@@H](O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012718541 522927474 /nfs/dbraw/zinc/92/74/74/522927474.db2.gz LPFNXHQRRUTDQN-XMMPIXPASA-N 0 0 426.520 4.112 50 0 IIAARN COc1cc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCC5)cc(OC)c1OC ZINC000012296765 522961181 /nfs/dbraw/zinc/96/11/81/522961181.db2.gz OGAAXLDNNNRKOJ-QGZVFWFLSA-N 0 0 436.460 4.322 50 0 biogenic IIAARN COc1cc2c(cc1OC)CN(C(=O)c1cnn(-c3ccccc3)c1C(F)(F)F)CC2 ZINC000012851192 523029138 /nfs/dbraw/zinc/02/91/38/523029138.db2.gz 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COc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)no2)c(OC)c1 ZINC000036012252 523108484 /nfs/dbraw/zinc/10/84/84/523108484.db2.gz NBXFPWQRDUWHLO-UHFFFAOYSA-N 0 0 436.464 4.026 50 0 IIAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)cc1OC ZINC000020720305 523123383 /nfs/dbraw/zinc/12/33/83/523123383.db2.gz HCOGWPCXCFAKLP-INIZCTEOSA-N 0 0 428.395 4.017 50 0 IIAARN COc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957560 523168430 /nfs/dbraw/zinc/16/84/30/523168430.db2.gz ANGZXRXOAHCFFY-UZLBHIALSA-N 0 0 431.439 4.466 50 0 IIAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccccc4C)CC3)cs2)cc1OC ZINC000012789439 523188177 /nfs/dbraw/zinc/18/81/77/523188177.db2.gz QTGSPHZCZQFZDN-UHFFFAOYSA-N 0 0 437.565 4.094 50 0 IIAARN COc1ccc(-c2nc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)sc2C)cc1 ZINC000012775334 523222537 /nfs/dbraw/zinc/22/25/37/523222537.db2.gz IXDKRIHRHIRNGZ-UHFFFAOYSA-N 0 0 440.550 4.154 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nnc1-c1ccc(OC)cc1 ZINC000012782026 523228727 /nfs/dbraw/zinc/22/87/27/523228727.db2.gz YZDOGQKBSAIOPB-UHFFFAOYSA-N 0 0 448.451 4.026 50 0 IIAARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000035773628 523236204 /nfs/dbraw/zinc/23/62/04/523236204.db2.gz ZLRJIESEDUCAAQ-UHFFFAOYSA-N 0 0 434.577 4.327 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-n2cccc2)cc1 ZINC000012371047 523259751 /nfs/dbraw/zinc/25/97/51/523259751.db2.gz GYNCUBDVXXQFGA-UHFFFAOYSA-N 0 0 439.928 4.451 50 0 IIAARN COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000012814328 523264026 /nfs/dbraw/zinc/26/40/26/523264026.db2.gz HIAQBEJTDHKXMA-QGTPRVQTSA-N 0 0 445.589 4.017 50 0 IIAARN CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000021872215 523265005 /nfs/dbraw/zinc/26/50/05/523265005.db2.gz CYUQWKORKZSPQU-UHFFFAOYSA-N 0 0 432.499 4.381 50 0 IIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000016749797 523294748 /nfs/dbraw/zinc/29/47/48/523294748.db2.gz YPBHVIDEWRHNLP-GOSISDBHSA-N 0 0 428.282 4.137 50 0 IIAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c2ccccc2S1 ZINC000021727873 523298546 /nfs/dbraw/zinc/29/85/46/523298546.db2.gz HNAKGHHEECNNNM-KBPBESRZSA-N 0 0 446.619 4.150 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012542686 523341380 /nfs/dbraw/zinc/34/13/80/523341380.db2.gz ULOJNNDKMGZUDG-LRYXAPPNSA-N 0 0 426.586 4.089 50 0 IIAARN CN(Cc1ccccc1F)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000012818884 523367723 /nfs/dbraw/zinc/36/77/23/523367723.db2.gz PQXWECVUBZAWGV-MRXNPFEDSA-N 0 0 446.573 4.075 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)OCC(C)C)cc1 ZINC000012656554 523382755 /nfs/dbraw/zinc/38/27/55/523382755.db2.gz UDDBZNPRFMCCLG-ODLFYWEKSA-N 0 0 432.314 4.428 50 0 IIAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1OC ZINC000016742089 523408981 /nfs/dbraw/zinc/40/89/81/523408981.db2.gz ZTRNAIQFNOQWAO-UCBHFQESSA-N 0 0 433.533 4.010 50 0 IIAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCC3=CCCCC3)C2=O)cc1 ZINC000020180624 523425638 /nfs/dbraw/zinc/42/56/38/523425638.db2.gz KTTGNYCOFGCQIR-ULJHMMPZSA-N 0 0 432.520 4.468 50 0 IIAARN COCCCn1c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605222 523501349 /nfs/dbraw/zinc/50/13/49/523501349.db2.gz MBMREQDVOQFINC-UHFFFAOYSA-N 0 0 425.432 4.185 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032932549 523507807 /nfs/dbraw/zinc/50/78/07/523507807.db2.gz UERUGNDQVFXMHD-IBGZPJMESA-N 0 0 431.565 4.357 50 0 IIAARN CN(Cc1nc2ccccc2s1)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000012157307 523568503 /nfs/dbraw/zinc/56/85/03/523568503.db2.gz IFRHIXWSQVBKAI-HSZRJFAPSA-N 0 0 425.529 4.066 50 0 IIAARN COc1ccc(C(=O)C2CCN(C(=O)C[C@@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012744755 523575227 /nfs/dbraw/zinc/57/52/27/523575227.db2.gz PUQLZFXURAFNTQ-JOCHJYFZSA-N 0 0 442.943 4.037 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)cc1OC ZINC000021343481 523594111 /nfs/dbraw/zinc/59/41/11/523594111.db2.gz ZABMYLZIHXHOQC-MHZLTWQESA-N 0 0 445.515 4.328 50 0 IIAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000012754785 523651015 /nfs/dbraw/zinc/65/10/15/523651015.db2.gz JZTHDJBJWJUBCM-UHFFFAOYSA-N 0 0 438.402 4.320 50 0 IIAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036043579 523672316 /nfs/dbraw/zinc/67/23/16/523672316.db2.gz FMSFFQDNUUMTPY-DQEYMECFSA-N 0 0 446.522 4.315 50 0 IIAARN CCn1nc(C)cc1C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014987503 523673243 /nfs/dbraw/zinc/67/32/43/523673243.db2.gz WNQYUWQEFHLLFI-MRXNPFEDSA-N 0 0 427.501 4.015 50 0 IIAARN COc1ccc(C(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000035449236 523703409 /nfs/dbraw/zinc/70/34/09/523703409.db2.gz WOTYKHOJNATNRK-UHFFFAOYSA-N 0 0 426.929 4.401 50 0 IIAARN CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000015785827 523712394 /nfs/dbraw/zinc/71/23/94/523712394.db2.gz RIMJYTZKIMFOAD-UHFFFAOYSA-N 0 0 448.521 4.191 50 0 IIAARN CN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000035834708 523738927 /nfs/dbraw/zinc/73/89/27/523738927.db2.gz BEMYNCYUNIVQPK-RUZDIDTESA-N 0 0 439.515 4.258 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c(OC)c1OC ZINC000012768689 523748074 /nfs/dbraw/zinc/74/80/74/523748074.db2.gz BMYGMAVXDDVRIA-UHFFFAOYSA-N 0 0 436.512 4.340 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000035450801 523751051 /nfs/dbraw/zinc/75/10/51/523751051.db2.gz JDQWEWHIHGPCMM-UHFFFAOYSA-N 0 0 437.540 4.100 50 0 IIAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1OC ZINC000009659189 523763289 /nfs/dbraw/zinc/76/32/89/523763289.db2.gz AYZKYCCMGPCJCG-UHFFFAOYSA-N 0 0 425.510 4.211 50 0 IIAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000012817919 523774848 /nfs/dbraw/zinc/77/48/48/523774848.db2.gz LVMLXVUDLFZZEL-UHFFFAOYSA-N 0 0 441.531 4.120 50 0 IIAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(OC)cc1 ZINC000035719047 523775110 /nfs/dbraw/zinc/77/51/10/523775110.db2.gz MLAFVCGTUMGPLK-UHFFFAOYSA-N 0 0 442.537 4.028 50 0 IIAARN CC[C@H](C(=O)NCc1cccc(Cl)c1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563366 523785331 /nfs/dbraw/zinc/78/53/31/523785331.db2.gz QSHFENLGTKSQQA-HXUWFJFHSA-N 0 0 449.942 4.120 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 ZINC000020737509 523810961 /nfs/dbraw/zinc/81/09/61/523810961.db2.gz ATRKJZSCFSRYAR-HSZRJFAPSA-N 0 0 449.551 4.172 50 0 IIAARN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274732 523817390 /nfs/dbraw/zinc/81/73/90/523817390.db2.gz MYDTUMCLBBTYLD-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(CCCOC)C3=O)s1 ZINC000021810087 523844710 /nfs/dbraw/zinc/84/47/10/523844710.db2.gz RHEALOOWOSZCEP-DFSZNTFHSA-N 0 0 445.629 4.211 50 0 IIAARN CCc1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)n2)cc1 ZINC000012745575 523865033 /nfs/dbraw/zinc/86/50/33/523865033.db2.gz HBRFYDMLCIXISF-SFHVURJKSA-N 0 0 435.509 4.232 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960490 523875123 /nfs/dbraw/zinc/87/51/23/523875123.db2.gz VUIZWGIRUUFRIN-JOCHJYFZSA-N 0 0 439.943 4.285 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@@H]([C@@H](C)CC)NC12CCN(C(=S)Nc1ccc(OC)cc1)CC2 ZINC000036028029 523879322 /nfs/dbraw/zinc/87/93/22/523879322.db2.gz JYEWJBAJIULCDQ-BBTUJRGHSA-N 0 0 446.661 4.077 50 0 IIAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32c3ccccc3NC2=O)cc1OC ZINC000012193401 523880268 /nfs/dbraw/zinc/88/02/68/523880268.db2.gz HHBKREWQDDYHRX-NLFFAJNJSA-N 0 0 427.460 4.052 50 0 IIAARN COc1ccc(C2=NO[C@@](C)([C@@H]3CC(=O)[C@@]4(C)C(c5ccc(OC)cc5)=NO[C@@H]4C3)C2)cc1 ZINC000012402119 523881253 /nfs/dbraw/zinc/88/12/53/523881253.db2.gz LIADFWPROBIAMI-UISLPWIUSA-N 0 0 448.519 4.375 50 0 IIAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCN(CC)CC4)c3)C2)cc1 ZINC000033034886 523883670 /nfs/dbraw/zinc/88/36/70/523883670.db2.gz NMFCTCQIRBOOAL-RUZDIDTESA-N 0 0 433.596 4.047 50 0 IIAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCC(CCc4ccccc4)CC3)CCC2=O)cc1 ZINC000012373038 523950590 /nfs/dbraw/zinc/95/05/90/523950590.db2.gz KBWBODFGTKYADA-VWLOTQADSA-N 0 0 448.607 4.348 50 0 IIAARN COc1ccc(CCNC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1OC ZINC000012391633 523972413 /nfs/dbraw/zinc/97/24/13/523972413.db2.gz DZENIFJTMOLMBD-UHFFFAOYSA-N 0 0 430.501 4.256 50 0 IIAARN CC[C@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035371906 523976674 /nfs/dbraw/zinc/97/66/74/523976674.db2.gz SWEKHTVHFGHJCS-AWEZNQCLSA-N 0 0 440.906 4.107 50 0 IIAARN COc1ccc(CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCN(C(C)=O)CC2)cc1 ZINC000015679708 523989592 /nfs/dbraw/zinc/98/95/92/523989592.db2.gz QYCSLVJVGOCIMT-UHFFFAOYSA-N 0 0 439.600 4.187 50 0 IIAARN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000012925749 523997469 /nfs/dbraw/zinc/99/74/69/523997469.db2.gz XJRLRMFGERIGJM-HXUWFJFHSA-N 0 0 446.547 4.368 50 0 IIAARN CC[C@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000012884558 524001860 /nfs/dbraw/zinc/00/18/60/524001860.db2.gz GZZRSOQGESJHHY-ZSDSOXJFSA-N 0 0 430.508 4.151 50 0 biogenic IIAARN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000012732761 524010153 /nfs/dbraw/zinc/01/01/53/524010153.db2.gz GNQLBXJBJTWOCE-ZDUSSCGKSA-N 0 0 442.434 4.070 50 0 IIAARN COc1ccc(CN2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000021661374 524019843 /nfs/dbraw/zinc/01/98/43/524019843.db2.gz JJZCCJRCJVZANG-UHFFFAOYSA-N 0 0 426.469 4.165 50 0 IIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868934 524022335 /nfs/dbraw/zinc/02/23/35/524022335.db2.gz AYCKNIFLIXUYBG-QGZVFWFLSA-N 0 0 434.506 4.052 50 0 IIAARN COc1ccc(CN2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1F ZINC000022799206 524031749 /nfs/dbraw/zinc/03/17/49/524031749.db2.gz FMGADAXWWGIUMM-UHFFFAOYSA-N 0 0 433.527 4.258 50 0 IIAARN COc1ccc(CNC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000032959144 524055926 /nfs/dbraw/zinc/05/59/26/524055926.db2.gz HYIFCTFFKOVSPB-UHFFFAOYSA-N 0 0 433.895 4.246 50 0 IIAARN COc1ccc(CNC(=O)[C@H](C)SCc2cc(-c3ccccc3OC)no2)cc1OC ZINC000012911164 524064067 /nfs/dbraw/zinc/06/40/67/524064067.db2.gz AGMNNOYKORHCGJ-HNNXBMFYSA-N 0 0 442.537 4.306 50 0 IIAARN COc1ccc(CNC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c(OC)c1 ZINC000035534882 524068048 /nfs/dbraw/zinc/06/80/48/524068048.db2.gz JUTAMEAUDHYCNP-UHFFFAOYSA-N 0 0 429.929 4.293 50 0 IIAARN CNC(=O)NC(=O)CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000012737604 524077288 /nfs/dbraw/zinc/07/72/88/524077288.db2.gz ZYGIGPYCPFTIDV-UHFFFAOYSA-N 0 0 436.459 4.041 50 0 IIAARN COc1ccc(COC[C@@H](O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000015237930 524117931 /nfs/dbraw/zinc/11/79/31/524117931.db2.gz BAPNDFJEJXHOLK-QGZVFWFLSA-N 0 0 429.517 4.098 50 0 IIAARN COc1ccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)C3CCC3)n2C)cc1 ZINC000012453473 524129547 /nfs/dbraw/zinc/12/95/47/524129547.db2.gz WGRPAGIUEGMYQX-NRFANRHFSA-N 0 0 436.581 4.316 50 0 IIAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(F)cc32)c1 ZINC000035535382 524141126 /nfs/dbraw/zinc/14/11/26/524141126.db2.gz KIPVCJVNYAFFAW-UHFFFAOYSA-N 0 0 443.478 4.331 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccnc1 ZINC000021809059 524141669 /nfs/dbraw/zinc/14/16/69/524141669.db2.gz RYDUOCMMEBGZFX-SDWUMEBZSA-N 0 0 436.581 4.207 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000032949244 524156097 /nfs/dbraw/zinc/15/60/97/524156097.db2.gz YRXYDUOPMZLEKC-HXUWFJFHSA-N 0 0 449.503 4.025 50 0 biogenic IIAARN COc1ccc(C[C@]2(CCC(=O)NCCc3ccc(C(F)(F)F)cc3)CCC(=O)N2)cc1 ZINC000015068748 524159523 /nfs/dbraw/zinc/15/95/23/524159523.db2.gz HFSGEHCNGWWGRL-QHCPKHFHSA-N 0 0 448.485 4.044 50 0 IIAARN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000012815471 524224237 /nfs/dbraw/zinc/22/42/37/524224237.db2.gz QDLNRIDDDSCPDM-UHFFFAOYSA-N 0 0 442.313 4.269 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 ZINC000012866448 524237566 /nfs/dbraw/zinc/23/75/66/524237566.db2.gz BPMSNWUNIDCOKB-MRXNPFEDSA-N 0 0 425.916 4.168 50 0 IIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)C1 ZINC000021786052 524243680 /nfs/dbraw/zinc/24/36/80/524243680.db2.gz LFWYHRBGYJFCJE-CQSZACIVSA-N 0 0 431.539 4.076 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012752991 524248502 /nfs/dbraw/zinc/24/85/02/524248502.db2.gz GISHCSXBHPQCOS-HNNXBMFYSA-N 0 0 430.346 4.127 50 0 IIAARN C[C@H](CCc1ccco1)NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000012893196 524255759 /nfs/dbraw/zinc/25/57/59/524255759.db2.gz JSLOZLIEIVYOTJ-MRXNPFEDSA-N 0 0 433.460 4.275 50 0 biogenic IIAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H](C)Cc4ccco4)cc3)c(=O)oc21 ZINC000012296780 524255924 /nfs/dbraw/zinc/25/59/24/524255924.db2.gz BEDOGUHDSHZODV-INIZCTEOSA-N 0 0 433.460 4.188 50 0 biogenic IIAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)/C=C/c3ccc4c(c3)OCO4)nc21 ZINC000023108239 524261744 /nfs/dbraw/zinc/26/17/44/524261744.db2.gz GEZMDAURMJMEOB-DZZUKKPASA-N 0 0 438.505 4.259 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c(C)c1 ZINC000012494974 524292192 /nfs/dbraw/zinc/29/21/92/524292192.db2.gz FCEYLOHBNWIZKS-UHFFFAOYSA-N 0 0 426.314 4.237 50 0 IIAARN Cc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856976 524322463 /nfs/dbraw/zinc/32/24/63/524322463.db2.gz YCQJJYIIDYOCGV-MHZLTWQESA-N 0 0 429.564 4.466 50 0 IIAARN COc1ccccc1C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 ZINC000012527747 524338506 /nfs/dbraw/zinc/33/85/06/524338506.db2.gz INSAPGNSAAJEOF-UHFFFAOYSA-N 0 0 440.544 4.376 50 0 IIAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000009237307 524379158 /nfs/dbraw/zinc/37/91/58/524379158.db2.gz CZTLCKCVWKHMHW-RCCKNPSSSA-N 0 0 430.460 4.352 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnn(-c3ccccc3)n2)c(OC)c1 ZINC000012543949 524401329 /nfs/dbraw/zinc/40/13/29/524401329.db2.gz WCZBYQNNQWYXEF-QHCPKHFHSA-N 0 0 427.464 4.056 50 0 IIAARN Cc1cc(C)cc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(Cl)cc4)ccn23)c1 ZINC000021640620 524417097 /nfs/dbraw/zinc/41/70/97/524417097.db2.gz SOKFSYVVJVMQMJ-UHFFFAOYSA-N 0 0 435.915 4.112 50 0 IIAARN Cc1cc(C)cc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)c1 ZINC000022768181 524423800 /nfs/dbraw/zinc/42/38/00/524423800.db2.gz IHIWBLNWQZOPPK-UHFFFAOYSA-N 0 0 441.535 4.332 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCCOC(C)C)cc1 ZINC000021859218 524432908 /nfs/dbraw/zinc/43/29/08/524432908.db2.gz UFEYKNUWHHVEAP-MHZLTWQESA-N 0 0 447.579 4.296 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021780731 524433071 /nfs/dbraw/zinc/43/30/71/524433071.db2.gz LEQNNLLDTPMQLH-SANMLTNESA-N 0 0 446.551 4.315 50 0 IIAARN Cc1ccc(CN2CC(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000021663016 524433991 /nfs/dbraw/zinc/43/39/91/524433991.db2.gz BDVFLNLKSHRJEL-UHFFFAOYSA-N 0 0 440.952 4.386 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)sc2C1 ZINC000040130966 524442660 /nfs/dbraw/zinc/44/26/60/524442660.db2.gz DHPYADPODCPFAK-HNNXBMFYSA-N 0 0 426.563 4.494 50 0 IIAARN COc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021811284 524446681 /nfs/dbraw/zinc/44/66/81/524446681.db2.gz RYVFZFYHBHFVPC-CMPWMSKVSA-N 0 0 449.551 4.353 50 0 IIAARN Cc1cccc(CS(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)c1 ZINC000022767557 524453348 /nfs/dbraw/zinc/45/33/48/524453348.db2.gz TZFSVVWAIFBAET-HSZRJFAPSA-N 0 0 426.607 4.276 50 0 IIAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cccn3-c3cccnc3)CC2)cc1Cl ZINC000035396980 524471438 /nfs/dbraw/zinc/47/14/38/524471438.db2.gz XDYKIAYZLXWUCU-UHFFFAOYSA-N 0 0 438.915 4.025 50 0 IIAARN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 ZINC000020739411 524500287 /nfs/dbraw/zinc/50/02/87/524500287.db2.gz FMACPOCZLXUKBM-UHFFFAOYSA-N 0 0 441.535 4.014 50 0 IIAARN COc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(OC)cc4)no3)c2)cc1 ZINC000033012391 524503359 /nfs/dbraw/zinc/50/33/59/524503359.db2.gz NSGGHZBLRDQHHH-UHFFFAOYSA-N 0 0 431.448 4.438 50 0 IIAARN Cc1cc(C)n(CC(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 ZINC000012126289 524507368 /nfs/dbraw/zinc/50/73/68/524507368.db2.gz JNOIGPXGZWDXGK-KRWDZBQOSA-N 0 0 429.442 4.306 50 0 IIAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c(OC)c1 ZINC000012444158 524528149 /nfs/dbraw/zinc/52/81/49/524528149.db2.gz IQXDTNXALTTZSB-UHFFFAOYSA-N 0 0 428.535 4.317 50 0 IIAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c(OC)c1 ZINC000032959167 524529074 /nfs/dbraw/zinc/52/90/74/524529074.db2.gz GLSRWNBPEDWQGO-UHFFFAOYSA-N 0 0 433.439 4.062 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021530247 524535717 /nfs/dbraw/zinc/53/57/17/524535717.db2.gz VRGKADSRUODXHW-SFHVURJKSA-N 0 0 431.561 4.472 50 0 IIAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3cccc(Br)c3)C2)cc1 ZINC000035526775 524552252 /nfs/dbraw/zinc/55/22/52/524552252.db2.gz BFINEITZWZIUHA-JOCHJYFZSA-N 0 0 429.358 4.316 50 0 IIAARN COc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(OC)cc3)C2)cc1 ZINC000013145803 524567852 /nfs/dbraw/zinc/56/78/52/524567852.db2.gz SKCUZDJZOWUMRY-ROUUACIJSA-N 0 0 440.544 4.453 50 0 IIAARN C[C@@H](CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021861899 524587369 /nfs/dbraw/zinc/58/73/69/524587369.db2.gz OOFQGISFLCPIRL-HFJWLAOPSA-N 0 0 430.552 4.113 50 0 IIAARN COc1ccccc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000012856794 524594552 /nfs/dbraw/zinc/59/45/52/524594552.db2.gz JDFDSONJUXJPJE-XMMPIXPASA-N 0 0 438.549 4.360 50 0 IIAARN Cc1cccc(NC(=O)CSc2nccnc2N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000035527898 524604037 /nfs/dbraw/zinc/60/40/37/524604037.db2.gz QWTJBFIKHZBZSM-UHFFFAOYSA-N 0 0 447.608 4.459 50 0 IIAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cs2)c1 ZINC000021908600 524607861 /nfs/dbraw/zinc/60/78/61/524607861.db2.gz IJIKWFAPZHDHQC-OAHLLOKOSA-N 0 0 441.578 4.010 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nc4ccccc4n3c2=O)c1 ZINC000035424678 524611314 /nfs/dbraw/zinc/61/13/14/524611314.db2.gz NFKVCDHUKOLWJY-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN COc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1 ZINC000012224344 524611165 /nfs/dbraw/zinc/61/11/65/524611165.db2.gz SMBMPPZXOWFAHX-UHFFFAOYSA-N 0 0 433.512 4.248 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000021795601 524617686 /nfs/dbraw/zinc/61/76/86/524617686.db2.gz LFCJVWNSLVHBCG-UHFFFAOYSA-N 0 0 434.500 4.018 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000018079701 524625891 /nfs/dbraw/zinc/62/58/91/524625891.db2.gz SWWFLGMXUROSLN-UHFFFAOYSA-N 0 0 447.491 4.031 50 0 IIAARN COc1ccc(NC(=O)c2ccc(CSc3nnnn3-c3ccc(OC)cc3)cc2)cc1 ZINC000012721843 524634134 /nfs/dbraw/zinc/63/41/34/524634134.db2.gz KAPGKESNHZPGMN-UHFFFAOYSA-N 0 0 447.520 4.224 50 0 IIAARN COc1ccc(NC(=O)c2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1Cl ZINC000033063121 524637710 /nfs/dbraw/zinc/63/77/10/524637710.db2.gz LUUGOODCNQSDHA-FQEVSTJZSA-N 0 0 443.912 4.004 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)c3ccco3)C(C)C)n2C(C)C)cc1 ZINC000036040401 524639664 /nfs/dbraw/zinc/63/96/64/524639664.db2.gz UFLYKXWRXKYNAP-UHFFFAOYSA-N 0 0 443.569 4.390 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)(C)C)C(C)C)n2C(C)C)cc1 ZINC000036040603 524639985 /nfs/dbraw/zinc/63/99/85/524639985.db2.gz AXMYMKATZSLZOB-UHFFFAOYSA-N 0 0 448.633 4.465 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)(C)C)C3CC3)n2C(C)C)cc1 ZINC000036040604 524640287 /nfs/dbraw/zinc/64/02/87/524640287.db2.gz OPAAWUOLSWQZBY-UHFFFAOYSA-N 0 0 446.617 4.219 50 0 IIAARN C[C@H]1CN(c2ncc(C(=O)OCc3ccc(Cl)cc3)c(C(F)(F)F)n2)C[C@H](C)O1 ZINC000001026989 524675413 /nfs/dbraw/zinc/67/54/13/524675413.db2.gz RAPVCYBZOYLOJB-RYUDHWBXSA-N 0 0 429.826 4.119 50 0 IIAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000035769073 524690966 /nfs/dbraw/zinc/69/09/66/524690966.db2.gz KZKDYZUSMLTCQM-UHFFFAOYSA-N 0 0 426.564 4.410 50 0 IIAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000035769076 524691025 /nfs/dbraw/zinc/69/10/25/524691025.db2.gz XBKBYYMJQPXKSR-UHFFFAOYSA-N 0 0 429.568 4.155 50 0 IIAARN Cc1ccc(Cc2nc3nc4c(c(NCc5ccc6c(c5)OCO6)n3n2)CCCC4)cc1 ZINC000035508932 524695954 /nfs/dbraw/zinc/69/59/54/524695954.db2.gz CQIHUSUROMZYIL-UHFFFAOYSA-N 0 0 427.508 4.243 50 0 IIAARN COc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cn1 ZINC000021841861 524717212 /nfs/dbraw/zinc/71/72/12/524717212.db2.gz LTPSYYVHALAEFF-UHFFFAOYSA-N 0 0 439.566 4.399 50 0 IIAARN COc1ccc(Nc2nnc(SCc3nc(N)nc(Nc4ccccc4)n3)s2)cc1 ZINC000012563281 524721398 /nfs/dbraw/zinc/72/13/98/524721398.db2.gz LSCSCBJWPNKIGT-UHFFFAOYSA-N 0 0 438.542 4.093 50 0 IIAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)N(C)Cc4c(F)cccc4Cl)c(=O)c32)C1 ZINC000012819354 524725570 /nfs/dbraw/zinc/72/55/70/524725570.db2.gz GHBCZQRQTLJUNC-GFCCVEGCSA-N 0 0 433.936 4.034 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012857747 524742677 /nfs/dbraw/zinc/74/26/77/524742677.db2.gz UYRTULGHPPROHK-UHFFFAOYSA-N 0 0 426.870 4.213 50 0 IIAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CCC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012876335 524761703 /nfs/dbraw/zinc/76/17/03/524761703.db2.gz LERKZOXVLQGUEF-DCFHFQCYSA-N 0 0 445.563 4.254 50 0 biogenic IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2C)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051635 524762831 /nfs/dbraw/zinc/76/28/31/524762831.db2.gz MZTPESDNYSVWQT-ZEQRLZLVSA-N 0 0 428.532 4.176 50 0 IIAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000016903229 524766169 /nfs/dbraw/zinc/76/61/69/524766169.db2.gz IUIZTGYHCGTBBN-IFMALSPDSA-N 0 0 441.531 4.305 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)c2=O)cc1 ZINC000022599565 524770850 /nfs/dbraw/zinc/77/08/50/524770850.db2.gz KOLPCOAFEYJDPA-OAQYLSRUSA-N 0 0 444.579 4.028 50 0 IIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000035980682 524775133 /nfs/dbraw/zinc/77/51/33/524775133.db2.gz FPWDFNWLBLZRLC-QKLQHJQFSA-N 0 0 444.597 4.376 50 0 IIAARN Cc1ccc(F)c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000012788010 524818478 /nfs/dbraw/zinc/81/84/78/524818478.db2.gz JUFOUPDPWSZZRK-UHFFFAOYSA-N 0 0 434.514 4.038 50 0 IIAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(C)cc3C)[C@H](c3ccc(C)o3)C2=O)c1 ZINC000015413088 524843766 /nfs/dbraw/zinc/84/37/66/524843766.db2.gz PIXRZYHHZMZULE-XMMPIXPASA-N 0 0 434.492 4.343 50 0 IIAARN COc1ccc(OC)c(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000012631103 524849820 /nfs/dbraw/zinc/84/98/20/524849820.db2.gz XYENCVZVQXNTKZ-UHFFFAOYSA-N 0 0 446.550 4.368 50 0 IIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000015961711 524855401 /nfs/dbraw/zinc/85/54/01/524855401.db2.gz GEQSTNCVOFMQPN-RUZDIDTESA-N 0 0 438.531 4.226 50 0 IIAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(F)ccc2Br)C[C@H](C)O1 ZINC000012765290 524876795 /nfs/dbraw/zinc/87/67/95/524876795.db2.gz RYNSUIQNBIDGMX-BETUJISGSA-N 0 0 435.293 4.090 50 0 IIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012795621 524903846 /nfs/dbraw/zinc/90/38/46/524903846.db2.gz ASYXDRSSBYNJNT-UHFFFAOYSA-N 0 0 448.972 4.079 50 0 IIAARN C[C@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc2N1S(C)(=O)=O ZINC000012768971 524979874 /nfs/dbraw/zinc/97/98/74/524979874.db2.gz ZYBMYOKUSBUWTO-LBPRGKRZSA-N 0 0 447.969 4.426 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4cc(C)ccc4C)o3)CC2=O)cc1 ZINC000021089363 524981570 /nfs/dbraw/zinc/98/15/70/524981570.db2.gz KKYUYMSZHWMZBW-KRWDZBQOSA-N 0 0 436.537 4.246 50 0 IIAARN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000012279676 525006487 /nfs/dbraw/zinc/00/64/87/525006487.db2.gz OGZLTUCJAATVLL-NHCUHLMSSA-N 0 0 428.536 4.257 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000001167351 525013778 /nfs/dbraw/zinc/01/37/78/525013778.db2.gz OWIFGXKBGAVVKR-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccccc4C)ccc32)cc1 ZINC000017135878 525033126 /nfs/dbraw/zinc/03/31/26/525033126.db2.gz MSLUAJDNUVGQAK-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000016818989 525044817 /nfs/dbraw/zinc/04/48/17/525044817.db2.gz VNVWKQZKJMHGSO-HXUWFJFHSA-N 0 0 447.354 4.053 50 0 IIAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3c(Cl)cccc3Cl)CC2)nc(C(C)C)n1 ZINC000012795056 525080418 /nfs/dbraw/zinc/08/04/18/525080418.db2.gz CDRPVNRZBCRYJH-HNNXBMFYSA-N 0 0 436.387 4.364 50 0 IIAARN Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1F ZINC000023126157 525103213 /nfs/dbraw/zinc/10/32/13/525103213.db2.gz OFBSBVJUWGCYPQ-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN Cc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)ccc1Br ZINC000012915878 525130265 /nfs/dbraw/zinc/13/02/65/525130265.db2.gz UYPMNKBSGDLFHX-UHFFFAOYSA-N 0 0 432.343 4.116 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021862429 525135285 /nfs/dbraw/zinc/13/52/85/525135285.db2.gz NRFIRVJZMYTULJ-HHHXNRCGSA-N 0 0 438.531 4.076 50 0 IIAARN Cc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021852576 525135341 /nfs/dbraw/zinc/13/53/41/525135341.db2.gz LOBNDSSQSBAUGB-AREMUKBSSA-N 0 0 434.584 4.323 50 0 IIAARN Cc1ccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCCC4)ccc32)c(Cl)c1 ZINC000021714234 525158972 /nfs/dbraw/zinc/15/89/72/525158972.db2.gz INSQVEBNPBBZLQ-UHFFFAOYSA-N 0 0 439.947 4.446 50 0 IIAARN Cc1ccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1Cl ZINC000021714230 525160139 /nfs/dbraw/zinc/16/01/39/525160139.db2.gz COHVFYFQQCLRJV-UHFFFAOYSA-N 0 0 439.947 4.446 50 0 IIAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2Br)C1 ZINC000035526729 525163427 /nfs/dbraw/zinc/16/34/27/525163427.db2.gz CXWIVYWYXYKSPV-JOCHJYFZSA-N 0 0 429.358 4.316 50 0 IIAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc21 ZINC000021598972 525173550 /nfs/dbraw/zinc/17/35/50/525173550.db2.gz VDNGVVYJVJMUJI-WMZOPIPTSA-N 0 0 428.579 4.179 50 0 IIAARN C[C@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032937140 525192368 /nfs/dbraw/zinc/19/23/68/525192368.db2.gz KSDFXSOAHFJJAY-ZDUSSCGKSA-N 0 0 447.882 4.446 50 0 IIAARN C[C@H](NC(=O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O)c1ccccc1 ZINC000034810756 525202971 /nfs/dbraw/zinc/20/29/71/525202971.db2.gz CBHJOCVAUPDIAE-HNNXBMFYSA-N 0 0 442.441 4.049 50 0 IIAARN C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000016063110 525205335 /nfs/dbraw/zinc/20/53/35/525205335.db2.gz OETUSTZUGLJMJQ-NSHDSACASA-N 0 0 439.320 4.392 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000035262629 525211230 /nfs/dbraw/zinc/21/12/30/525211230.db2.gz BDXNAXTYWXAXRA-IRXDYDNUSA-N 0 0 444.373 4.435 50 0 IIAARN Cc1ccccc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015398117 525217680 /nfs/dbraw/zinc/21/76/80/525217680.db2.gz MEYGZKIUOAAFHI-OAQYLSRUSA-N 0 0 436.577 4.328 50 0 IIAARN Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1N1CCCCC1)S(C)(=O)=O ZINC000023130357 525217711 /nfs/dbraw/zinc/21/77/11/525217711.db2.gz WGNZKWHAGYFPIH-UHFFFAOYSA-N 0 0 435.977 4.043 50 0 IIAARN CS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000035770421 525230584 /nfs/dbraw/zinc/23/05/84/525230584.db2.gz PDFFAAFQNIJQDO-UHFFFAOYSA-N 0 0 436.436 4.131 50 0 IIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1C ZINC000033325811 525231346 /nfs/dbraw/zinc/23/13/46/525231346.db2.gz GFLIZXKGZDAPQC-OAQYLSRUSA-N 0 0 437.565 4.396 50 0 IIAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)cc1C ZINC000012437550 525235747 /nfs/dbraw/zinc/23/57/47/525235747.db2.gz YWPSWRVKSYXCMZ-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN C[C@]1(C2CCN(Cc3c(F)cccc3Cl)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012100070 525240083 /nfs/dbraw/zinc/24/00/83/525240083.db2.gz MGRZICVLTCCBFT-OAQYLSRUSA-N 0 0 435.952 4.263 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1Cl ZINC000012630486 525244718 /nfs/dbraw/zinc/24/47/18/525244718.db2.gz HFRUFMAHTARMFQ-UHFFFAOYSA-N 0 0 444.896 4.430 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062035 525257450 /nfs/dbraw/zinc/25/74/50/525257450.db2.gz UQERVYLBGLWPSD-XZOQPEGZSA-N 0 0 438.568 4.030 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062037 525257498 /nfs/dbraw/zinc/25/74/98/525257498.db2.gz UQERVYLBGLWPSD-GOTSBHOMSA-N 0 0 438.568 4.030 50 0 IIAARN Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020377654 525258974 /nfs/dbraw/zinc/25/89/74/525258974.db2.gz KHMCJOMQCGWGEQ-JOCHJYFZSA-N 0 0 445.544 4.072 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(F)c3)cc2Cl)c1 ZINC000012769168 525268424 /nfs/dbraw/zinc/26/84/24/525268424.db2.gz BFZMWHBCROCHTM-UHFFFAOYSA-N 0 0 446.887 4.387 50 0 IIAARN COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000021148649 525276959 /nfs/dbraw/zinc/27/69/59/525276959.db2.gz CCJLHXDVVCPKTN-XMMPIXPASA-N 0 0 435.524 4.460 50 0 IIAARN Cc1ccccc1Nc1nc([C@]2(C)C[C@]3(C[C@H](COCC(C)C)OC3=O)C(=O)O2)cs1 ZINC000001415253 525276967 /nfs/dbraw/zinc/27/69/67/525276967.db2.gz BJQVQKRYZUYLGC-XARZLDAJSA-N 0 0 444.553 4.332 50 0 IIAARN Cc1ccc(Nc2nc(COC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cs2)cc1 ZINC000012563319 525325651 /nfs/dbraw/zinc/32/56/51/525325651.db2.gz HKIPJRKDXOTWQG-UHFFFAOYSA-N 0 0 443.550 4.092 50 0 IIAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O ZINC000023908695 525331501 /nfs/dbraw/zinc/33/15/01/525331501.db2.gz ULHPZLSBXHJAQX-RUZDIDTESA-N 0 0 445.544 4.385 50 0 IIAARN Cc1cc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)ccc1Cl ZINC000012924148 525377614 /nfs/dbraw/zinc/37/76/14/525377614.db2.gz HBMKPGAZEMPGQT-UHFFFAOYSA-N 0 0 445.711 4.269 50 0 IIAARN Cc1ccc(OCC(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)cc1C ZINC000012934165 525378558 /nfs/dbraw/zinc/37/85/58/525378558.db2.gz YGZSSWHDTBUPQB-UHFFFAOYSA-N 0 0 439.581 4.047 50 0 IIAARN COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412731 525382377 /nfs/dbraw/zinc/38/23/77/525382377.db2.gz OHZIXCJHOOHEFN-QHCPKHFHSA-N 0 0 436.895 4.478 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000016641597 525404276 /nfs/dbraw/zinc/40/42/76/525404276.db2.gz ZCPTVUPQRWNZOZ-HXUWFJFHSA-N 0 0 434.521 4.248 50 0 IIAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C(C)C)cc1 ZINC000035945815 525407169 /nfs/dbraw/zinc/40/71/69/525407169.db2.gz KKWNVFVHGUJGEY-OAQYLSRUSA-N 0 0 427.932 4.141 50 0 IIAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000012738350 525414870 /nfs/dbraw/zinc/41/48/70/525414870.db2.gz XWUWGOGDYKMNSL-MRXNPFEDSA-N 0 0 431.432 4.128 50 0 IIAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000012880521 525436925 /nfs/dbraw/zinc/43/69/25/525436925.db2.gz XHWDMVJCCDHQOJ-XYPSYJJBSA-N 0 0 435.520 4.332 50 0 biogenic IIAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)CC3=O)c2c1 ZINC000012863253 525492651 /nfs/dbraw/zinc/49/26/51/525492651.db2.gz YMAQHWGKFAFHMB-OAHLLOKOSA-N 0 0 445.441 4.225 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)cc1 ZINC000012798884 525498093 /nfs/dbraw/zinc/49/80/93/525498093.db2.gz LCOSAXWAXXJQEI-QFIPXVFZSA-N 0 0 436.533 4.074 50 0 IIAARN Cc1c(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)cnn1C ZINC000020615558 525504611 /nfs/dbraw/zinc/50/46/11/525504611.db2.gz UICBASNWKWJNGM-UHFFFAOYSA-N 0 0 431.443 4.479 50 0 IIAARN Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(C)c(F)c1 ZINC000020848828 525513524 /nfs/dbraw/zinc/51/35/24/525513524.db2.gz LWYSRRAABMSMSZ-UHFFFAOYSA-N 0 0 428.880 4.447 50 0 IIAARN Cc1cc([C@H]2CCc3nc(C(=O)N4CCN(c5ccccc5F)CC4)cn3C2)ccc1F ZINC000034898996 525550079 /nfs/dbraw/zinc/55/00/79/525550079.db2.gz UVOJEGNADLOPDG-IBGZPJMESA-N 0 0 436.506 4.162 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)c1cccn1-2 ZINC000035399515 525550616 /nfs/dbraw/zinc/55/06/16/525550616.db2.gz NPSJFSXIDARKJM-UHFFFAOYSA-N 0 0 433.508 4.060 50 0 biogenic IIAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000058191042 525577529 /nfs/dbraw/zinc/57/75/29/525577529.db2.gz ZDSKTNBSHQICNT-UHFFFAOYSA-N 0 0 446.532 4.116 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1cccc(F)c1)C3=O ZINC000021857369 525643394 /nfs/dbraw/zinc/64/33/94/525643394.db2.gz MOTJVZPLCHNPHG-VWLOTQADSA-N 0 0 435.499 4.267 50 0 IIAARN C[C@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012554870 525648373 /nfs/dbraw/zinc/64/83/73/525648373.db2.gz AFHLITZGCGJECO-HNNXBMFYSA-N 0 0 430.533 4.425 50 0 IIAARN Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012517274 525656953 /nfs/dbraw/zinc/65/69/53/525656953.db2.gz CCMWDKBPPLYRPJ-UHFFFAOYSA-N 0 0 437.565 4.001 50 0 IIAARN Cc1c(C(=O)Nc2ccccc2)sc2nc3n(c(=O)c12)N=C(c1ccccc1)CS3 ZINC000020485296 525661341 /nfs/dbraw/zinc/66/13/41/525661341.db2.gz QDFKDMNAGIQVNR-UHFFFAOYSA-N 0 0 432.530 4.377 50 0 IIAARN Cc1cc2nc(COc3cc(NC(=O)COc4cc(C)ccc4C)ccc3C)cc(=O)n2o1 ZINC000035378621 525672575 /nfs/dbraw/zinc/67/25/75/525672575.db2.gz LPSMOYROJZTZBQ-UHFFFAOYSA-N 0 0 447.491 4.118 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c(C)c1 ZINC000035538734 525695308 /nfs/dbraw/zinc/69/53/08/525695308.db2.gz VWKUODNEDFVZNT-AJTFRIOCSA-N 0 0 447.623 4.339 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)[nH]n2)cc1C ZINC000020531693 525720608 /nfs/dbraw/zinc/72/06/08/525720608.db2.gz SCZPVWXETUHPQT-UHFFFAOYSA-N 0 0 438.959 4.184 50 0 IIAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1C ZINC000041253163 525744880 /nfs/dbraw/zinc/74/48/80/525744880.db2.gz UDTSHIPOWSOQES-UHFFFAOYSA-N 0 0 429.564 4.399 50 0 IIAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1Cl ZINC000021861755 525790564 /nfs/dbraw/zinc/79/05/64/525790564.db2.gz XNADNNBYEJKYOM-DEOSSOPVSA-N 0 0 436.943 4.163 50 0 IIAARN COc1cccc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000036041994 525808327 /nfs/dbraw/zinc/80/83/27/525808327.db2.gz KVHQKJOCOFVCOJ-WOJBJXKFSA-N 0 0 434.458 4.094 50 0 IIAARN Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(Br)cc3C)no2)cc1 ZINC000012863798 525809682 /nfs/dbraw/zinc/80/96/82/525809682.db2.gz RQHDXBZCYSGKSU-UHFFFAOYSA-N 0 0 429.318 4.186 50 0 IIAARN Cc1ccsc1C(=O)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 ZINC000012211873 525824733 /nfs/dbraw/zinc/82/47/33/525824733.db2.gz FOIWFHFEXFZHDD-UHFFFAOYSA-N 0 0 435.578 4.314 50 0 IIAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000014603926 525885213 /nfs/dbraw/zinc/88/52/13/525885213.db2.gz UXZPNKMZMIQAOO-OAHLLOKOSA-N 0 0 441.471 4.411 50 0 IIAARN C[C@@H](OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C(=O)Nc1cc(F)ccc1F ZINC000022286759 525888088 /nfs/dbraw/zinc/88/80/88/525888088.db2.gz SDGITMOFSAJRDZ-LLVKDONJSA-N 0 0 436.361 4.401 50 0 IIAARN C[C@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022527241 525889121 /nfs/dbraw/zinc/88/91/21/525889121.db2.gz RLOQNSPGXKULDE-INIZCTEOSA-N 0 0 439.471 4.185 50 0 IIAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2)C(=O)Nc1ncccn1 ZINC000012569250 525892727 /nfs/dbraw/zinc/89/27/27/525892727.db2.gz QDOWPUYCOXLNTR-CVEARBPZSA-N 0 0 432.524 4.360 50 0 IIAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)c1ccc(F)c(F)c1 ZINC000012801293 525892825 /nfs/dbraw/zinc/89/28/25/525892825.db2.gz SMHMTUDMXCKUJU-ZDUSSCGKSA-N 0 0 441.430 4.322 50 0 IIAARN C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012528894 525896632 /nfs/dbraw/zinc/89/66/32/525896632.db2.gz JIKPEUOWUNNUBR-CEXWTWQISA-N 0 0 432.524 4.269 50 0 IIAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(Cc3cccc(C(F)(F)F)c3)s1)CS2 ZINC000013006574 525909300 /nfs/dbraw/zinc/90/93/00/525909300.db2.gz LJCJAQHOLKIKPI-RDTXWAMCSA-N 0 0 441.500 4.145 50 0 IIAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1 ZINC000033273748 525909458 /nfs/dbraw/zinc/90/94/58/525909458.db2.gz VRNYKZKLUDVILE-NRFANRHFSA-N 0 0 444.583 4.347 50 0 IIAARN Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)c(Br)c4)no3)n2)cc1C ZINC000033300402 525911641 /nfs/dbraw/zinc/91/16/41/525911641.db2.gz HACGRPZSGSSOEM-UHFFFAOYSA-N 0 0 441.260 4.468 50 0 IIAARN COc1cccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1OC ZINC000012771865 525916870 /nfs/dbraw/zinc/91/68/70/525916870.db2.gz XOBLCLWZQDCQQL-ZDUSSCGKSA-N 0 0 425.510 4.455 50 0 IIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012770235 525918218 /nfs/dbraw/zinc/91/82/18/525918218.db2.gz JVXFGGRPPGKTOC-QGZVFWFLSA-N 0 0 438.911 4.352 50 0 IIAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccccc3Cl)ccc2=O)cc1C ZINC000033128065 525930430 /nfs/dbraw/zinc/93/04/30/525930430.db2.gz VVCJTPTYLNSSCX-INIZCTEOSA-N 0 0 427.957 4.300 50 0 IIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000012907743 525931184 /nfs/dbraw/zinc/93/11/84/525931184.db2.gz FLJNVHAZJQTMLM-MRXNPFEDSA-N 0 0 429.469 4.024 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000022299649 525933552 /nfs/dbraw/zinc/93/35/52/525933552.db2.gz TVFPEFWPQWMCHJ-XQQFMLRXSA-N 0 0 444.384 4.465 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccccc1Cl)nc2C ZINC000020563582 525936473 /nfs/dbraw/zinc/93/64/73/525936473.db2.gz CFDBKWKPPDGVFS-UHFFFAOYSA-N 0 0 435.915 4.271 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)Nc3cccc(F)c3)C1)nnc2C ZINC000020564796 525937414 /nfs/dbraw/zinc/93/74/14/525937414.db2.gz KAYHNRGMSAEYDL-GOSISDBHSA-N 0 0 444.514 4.427 50 0 IIAARN Cc1ccc(-n2nnnc2SCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000012799184 525940378 /nfs/dbraw/zinc/94/03/78/525940378.db2.gz LZMZSGNINGUKNM-UHFFFAOYSA-N 0 0 429.549 4.359 50 0 IIAARN Cc1ccc(/C=C2/SC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000020266149 525959891 /nfs/dbraw/zinc/95/98/91/525959891.db2.gz NKLBGHWHEZVOKG-DEDYPNTBSA-N 0 0 427.957 4.464 50 0 IIAARN COc1cccc(CNC(=O)CNC(=S)N(Cc2cccs2)C2CCCCC2)c1 ZINC000020678499 525973189 /nfs/dbraw/zinc/97/31/89/525973189.db2.gz LWMRZBLFEFHCQC-UHFFFAOYSA-N 0 0 431.627 4.082 50 0 IIAARN COc1cccc(CNC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000012548019 525975034 /nfs/dbraw/zinc/97/50/34/525975034.db2.gz PLFLNEWVBBLVRL-UHFFFAOYSA-N 0 0 432.343 4.256 50 0 IIAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000012742640 525981370 /nfs/dbraw/zinc/98/13/70/525981370.db2.gz GSUXTKWXRKEINL-UHFFFAOYSA-N 0 0 446.326 4.206 50 0 IIAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000012364862 526000153 /nfs/dbraw/zinc/00/01/53/526000153.db2.gz XFPXURTXEAZLED-KRWDZBQOSA-N 0 0 444.560 4.341 50 0 IIAARN Cc1ccc(C(=O)COC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)s1 ZINC000012909106 526046866 /nfs/dbraw/zinc/04/68/66/526046866.db2.gz FREBIDHHAIGKOH-QGZVFWFLSA-N 0 0 429.441 4.232 50 0 IIAARN Cc1cc(-n2c(C)cc(C(=O)Nc3cc4c(cc3Br)OCCO4)c2C)no1 ZINC000023184423 526070098 /nfs/dbraw/zinc/07/00/98/526070098.db2.gz ULCKTBVAMFROIS-UHFFFAOYSA-N 0 0 432.274 4.177 50 0 IIAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)c1 ZINC000035529279 526070348 /nfs/dbraw/zinc/07/03/48/526070348.db2.gz HWTLMCKMEAXTNS-UHFFFAOYSA-N 0 0 434.546 4.455 50 0 IIAARN Cc1ccc(C(=O)N2CCC(Oc3cccc(CN(C)Cc4ccon4)c3)CC2)s1 ZINC000012218778 526087589 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O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000035450776 526351377 /nfs/dbraw/zinc/35/13/77/526351377.db2.gz BSNCMJCBCNRXHX-UHFFFAOYSA-N 0 0 425.504 4.231 50 0 IIAARN Fc1ccc(OCc2nc(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cs2)cc1 ZINC000022785708 526360091 /nfs/dbraw/zinc/36/00/91/526360091.db2.gz SVINCGCAWLDLKW-UHFFFAOYSA-N 0 0 439.556 4.114 50 0 IIAARN O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NC[C@H]1CCCO1 ZINC000015869779 526365798 /nfs/dbraw/zinc/36/57/98/526365798.db2.gz FQPUJBLQGBRFBD-OAQYLSRUSA-N 0 0 447.535 4.032 50 0 IIAARN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(CN2CCOCC2)cc1 ZINC000022358504 526371547 /nfs/dbraw/zinc/37/15/47/526371547.db2.gz VWBKHTIPSJWKGT-UHFFFAOYSA-N 0 0 439.408 4.489 50 0 IIAARN O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1nc(-c2ccccn2)no1 ZINC000012389055 526394175 /nfs/dbraw/zinc/39/41/75/526394175.db2.gz BZZVBTIJWXUDMY-UHFFFAOYSA-N 0 0 439.475 4.164 50 0 IIAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000023142883 526395341 /nfs/dbraw/zinc/39/53/41/526395341.db2.gz ANLOMCYBCZJIFG-SFHVURJKSA-N 0 0 431.565 4.262 50 0 IIAARN O=C(OCCOc1cccc(Cl)c1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC000021998855 526419711 /nfs/dbraw/zinc/41/97/11/526419711.db2.gz TYVGGBATVAHVBN-UHFFFAOYSA-N 0 0 439.682 4.429 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000011878148 526426383 /nfs/dbraw/zinc/42/63/83/526426383.db2.gz YCTLTYBNZADTIN-UHFFFAOYSA-N 0 0 434.561 4.404 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009666608 526427376 /nfs/dbraw/zinc/42/73/76/526427376.db2.gz FHWVKEIJVJRQKH-UHFFFAOYSA-N 0 0 440.952 4.064 50 0 IIAARN O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000035893616 526444102 /nfs/dbraw/zinc/44/41/02/526444102.db2.gz UKKXVKMFGLWTHY-GBXCKJPGSA-N 0 0 435.568 4.114 50 0 IIAARN O=C(CCCSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012760824 526453607 /nfs/dbraw/zinc/45/36/07/526453607.db2.gz BBFRZISINSSQLJ-GOSISDBHSA-N 0 0 426.513 4.470 50 0 IIAARN O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(Sc2ccc(F)cc2)CC1 ZINC000012279862 526458865 /nfs/dbraw/zinc/45/88/65/526458865.db2.gz AZYCVBZDQNZJKC-QFIPXVFZSA-N 0 0 442.512 4.025 50 0 IIAARN O=C(CCN1C(=O)CSc2ccccc21)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000032931858 526479762 /nfs/dbraw/zinc/47/97/62/526479762.db2.gz GOIJORLTMYIKKB-DEOSSOPVSA-N 0 0 445.544 4.012 50 0 IIAARN O=C(CC[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)NCc1ccc(F)c(F)c1 ZINC000012459312 526554043 /nfs/dbraw/zinc/55/40/43/526554043.db2.gz AXHXAJIMIUECGG-SFHVURJKSA-N 0 0 430.495 4.069 50 0 IIAARN O=C(CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCCc1cccnc1 ZINC000012510346 526576311 /nfs/dbraw/zinc/57/63/11/526576311.db2.gz JBYMFMISPHHGJY-HHHXNRCGSA-N 0 0 427.548 4.079 50 0 IIAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N(CC1CCC1)C[C@@H]1CCCO1 ZINC000012164153 526576772 /nfs/dbraw/zinc/57/67/72/526576772.db2.gz ZABWOEGPHSNUQC-URXFXBBRSA-N 0 0 432.992 4.119 50 0 IIAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(C)cc2Cl)c(=O)n3C(C)C)no1 ZINC000033306824 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527323229 /nfs/dbraw/zinc/32/32/29/527323229.db2.gz QLKFLKFOQPUWBP-ZSOIEALJSA-N 0 0 426.297 4.133 50 0 IIAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000012376463 527350660 /nfs/dbraw/zinc/35/06/60/527350660.db2.gz YBTQSTYLPJQIMZ-UHFFFAOYSA-N 0 0 445.906 4.224 50 0 biogenic,in-vitro IIAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1 ZINC000033310195 527395755 /nfs/dbraw/zinc/39/57/55/527395755.db2.gz OBKSBDVTRMACQO-UHFFFAOYSA-N 0 0 435.528 4.101 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000033310272 527396221 /nfs/dbraw/zinc/39/62/21/527396221.db2.gz WDYHYOJJOVZRMI-GOSISDBHSA-N 0 0 435.528 4.101 50 0 IIAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3cc(F)ccc3F)C2)s1 ZINC000033113530 527402078 /nfs/dbraw/zinc/40/20/78/527402078.db2.gz OKIZBWBTAGRXPM-ZDUSSCGKSA-N 0 0 443.479 4.480 50 0 IIAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1cccnc1)nc2-c1ccc(F)cc1 ZINC000035929901 527438105 /nfs/dbraw/zinc/43/81/05/527438105.db2.gz 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 ZINC000012596811 527543949 /nfs/dbraw/zinc/54/39/49/527543949.db2.gz TVDVYCCHXNEKTN-UHFFFAOYSA-N 0 0 443.507 4.063 50 0 IIAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000033115116 527557467 /nfs/dbraw/zinc/55/74/67/527557467.db2.gz OGUDLGKNSWUNMN-FQEVSTJZSA-N 0 0 444.579 4.294 50 0 IIAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)CC(C)C)CC3)c12 ZINC000036000410 527566067 /nfs/dbraw/zinc/56/60/67/527566067.db2.gz VKNPNLMIWRIZMZ-UHFFFAOYSA-N 0 0 440.979 4.171 50 0 IIAARN Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000016975957 527574282 /nfs/dbraw/zinc/57/42/82/527574282.db2.gz XBKNOJUNJUHTMG-UHFFFAOYSA-N 0 0 447.601 4.081 50 0 IIAARN O=C(/C=C/c1ccccc1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020599652 527629929 /nfs/dbraw/zinc/62/99/29/527629929.db2.gz BCSHFQGRARCBHD-PUESRJFGSA-N 0 0 445.607 4.063 50 0 IIAARN O=C(/C=C\c1ccc2c(c1)OCO2)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000035168115 527656648 /nfs/dbraw/zinc/65/66/48/527656648.db2.gz MESGVTGODCUNLH-KXFIGUGUSA-N 0 0 427.762 4.283 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c12 ZINC000036616617 527682678 /nfs/dbraw/zinc/68/26/78/527682678.db2.gz KOJZLXZSAVEQAU-UHFFFAOYSA-N 0 0 445.592 4.272 50 0 IIAARN CCCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCOCC2)c1 ZINC000007389897 535327586 /nfs/dbraw/zinc/32/75/86/535327586.db2.gz ZZGXTJIBIPJXNH-UHFFFAOYSA-N 0 0 426.513 4.131 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 ZINC000009569249 535401238 /nfs/dbraw/zinc/40/12/38/535401238.db2.gz XXKFCXMNXGHCMY-UHFFFAOYSA-N 0 0 426.494 4.072 50 0 IIAARN CCN1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002694257 535743324 /nfs/dbraw/zinc/74/33/24/535743324.db2.gz OVWURBABYNYYPC-UHFFFAOYSA-N 0 0 433.936 4.002 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccc(C)cc3)CC2)c2cc(C)ccc2O1 ZINC000009406082 536117283 /nfs/dbraw/zinc/11/72/83/536117283.db2.gz NPEXFFVLBQDUPG-QHCPKHFHSA-N 0 0 449.595 4.472 50 0 IIAARN COc1cc(C)c(CN2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1OC ZINC000014169285 536570949 /nfs/dbraw/zinc/57/09/49/536570949.db2.gz UTSUIHWNLSTCKT-UHFFFAOYSA-N 0 0 446.473 4.296 50 0 IIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 ZINC000003042054 537046497 /nfs/dbraw/zinc/04/64/97/537046497.db2.gz ZUVWXRANQHJJTJ-UHFFFAOYSA-N 0 0 436.508 4.403 50 0 IIAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@H](c2ccccc2Cl)CC3=O)CC1 ZINC000008758879 537071780 /nfs/dbraw/zinc/07/17/80/537071780.db2.gz ZSHCRKRAPHJRDJ-KRWDZBQOSA-N 0 0 448.954 4.378 50 0 IIAARN O=C(c1nn(-c2cccc(Cl)c2)c2nc(-c3ccccc3)cc(=O)n12)c1ccccc1 ZINC000000624433 555511989 /nfs/dbraw/zinc/51/19/89/555511989.db2.gz RMVOBJLAMOMELC-UHFFFAOYSA-N 0 0 426.863 4.432 50 0 IIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000633501 555515752 /nfs/dbraw/zinc/51/57/52/555515752.db2.gz GRSHAFZZAWZFDO-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 IIAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Br)c2)c1C ZINC000000641392 555518639 /nfs/dbraw/zinc/51/86/39/555518639.db2.gz LEIYMTTXCKERDP-SFHVURJKSA-N 0 0 430.371 4.497 50 0 IIAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000000641219 555518652 /nfs/dbraw/zinc/51/86/52/555518652.db2.gz WMYMIUKIJOBSDG-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN COc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000642159 555518689 /nfs/dbraw/zinc/51/86/89/555518689.db2.gz UDBBALWBBIHNRA-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000654476 555524443 /nfs/dbraw/zinc/52/44/43/555524443.db2.gz QRROZHPFPJTGBN-AWEZNQCLSA-N 0 0 437.359 4.265 50 0 IIAARN Cc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000658207 555525748 /nfs/dbraw/zinc/52/57/48/555525748.db2.gz BGCHYBFIWXXOQB-UHFFFAOYSA-N 0 0 434.989 4.288 50 0 IIAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cn1)C1c3ccccc3C2c2ccccc21 ZINC000000662855 555527425 /nfs/dbraw/zinc/52/74/25/555527425.db2.gz CMYYZVUKHZNWAJ-JSRAGOMMSA-N 0 0 431.289 4.241 50 0 IIAARN COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000000667634 555529572 /nfs/dbraw/zinc/52/95/72/555529572.db2.gz VYMWSDWPDSBBLI-UHFFFAOYSA-N 0 0 438.549 4.053 50 0 IIAARN CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000670110 555530449 /nfs/dbraw/zinc/53/04/49/555530449.db2.gz UJFVCJNVLIEMCM-MRXNPFEDSA-N 0 0 441.439 4.118 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000675881 555534598 /nfs/dbraw/zinc/53/45/98/555534598.db2.gz LEKSOEYODZZACV-UHFFFAOYSA-N 0 0 429.325 4.494 50 0 IIAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1Cl ZINC000000676879 555535184 /nfs/dbraw/zinc/53/51/84/555535184.db2.gz BTEFNEALWMDTLI-UHFFFAOYSA-N 0 0 436.961 4.231 50 0 IIAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000676830 555535194 /nfs/dbraw/zinc/53/51/94/555535194.db2.gz NVCFZDQTYGBGKS-SFHVURJKSA-N 0 0 430.570 4.392 50 0 IIAARN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 ZINC000000676944 555535232 /nfs/dbraw/zinc/53/52/32/555535232.db2.gz AIFYDNISKNTEEB-UHFFFAOYSA-N 0 0 438.549 4.482 50 0 IIAARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 ZINC000000679545 555536857 /nfs/dbraw/zinc/53/68/57/555536857.db2.gz CZKUAWOCSZPTAV-UHFFFAOYSA-N 0 0 438.347 4.077 50 0 IIAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Br)c(C)n1 ZINC000000679611 555536899 /nfs/dbraw/zinc/53/68/99/555536899.db2.gz AGFZHFOCLSDGHA-UHFFFAOYSA-N 0 0 428.739 4.006 50 0 IIAARN CCSc1nnc2c(n1)OC(=C(O)c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000000684206 555539174 /nfs/dbraw/zinc/53/91/74/555539174.db2.gz BENGCJLOKDDYFR-GOSISDBHSA-N 0 0 443.326 4.426 50 0 IIAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cc(OC)ccc1OC ZINC000000684365 555539184 /nfs/dbraw/zinc/53/91/84/555539184.db2.gz CDPVYCIOKAJKLS-OAQYLSRUSA-N 0 0 438.509 4.112 50 0 IIAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000000687517 555540741 /nfs/dbraw/zinc/54/07/41/555540741.db2.gz JKXVDARGQOZBDX-UHFFFAOYSA-N 0 0 438.509 4.459 50 0 IIAARN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1 ZINC000000687562 555540787 /nfs/dbraw/zinc/54/07/87/555540787.db2.gz JFSRBYHWVAOXAO-UHFFFAOYSA-N 0 0 432.343 4.440 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000000708537 555545827 /nfs/dbraw/zinc/54/58/27/555545827.db2.gz PVNXWQPPVGVVFE-UHFFFAOYSA-N 0 0 431.322 4.024 50 0 IIAARN COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 ZINC000000718633 555549408 /nfs/dbraw/zinc/54/94/08/555549408.db2.gz QZEIOFYKJGHXGF-UHFFFAOYSA-N 0 0 437.439 4.480 50 0 IIAARN COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1Cl ZINC000000724663 555551110 /nfs/dbraw/zinc/55/11/10/555551110.db2.gz GGLFXQXEWGSIQG-UHFFFAOYSA-N 0 0 429.723 4.247 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000000784301 555555727 /nfs/dbraw/zinc/55/57/27/555555727.db2.gz BNSUNPAHWTZUPL-INIZCTEOSA-N 0 0 428.485 4.411 50 0 IIAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000786849 555556435 /nfs/dbraw/zinc/55/64/35/555556435.db2.gz UQYAGCXPPYGXDW-UHFFFAOYSA-N 0 0 425.558 4.266 50 0 IIAARN O=C(Nc1cc(Cl)ccc1O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000793729 555557713 /nfs/dbraw/zinc/55/77/13/555557713.db2.gz HRXOCALHIMCXEY-UHFFFAOYSA-N 0 0 439.806 4.483 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000000807657 555560050 /nfs/dbraw/zinc/56/00/50/555560050.db2.gz VZBYQJOTSFXZIT-UHFFFAOYSA-N 0 0 435.549 4.036 50 0 IIAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2CC)cc1 ZINC000000813891 555561096 /nfs/dbraw/zinc/56/10/96/555561096.db2.gz JXDIGFHLKDYDDP-CQSZACIVSA-N 0 0 431.587 4.496 50 0 IIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000839803 555567927 /nfs/dbraw/zinc/56/79/27/555567927.db2.gz HGMYQVFOFVJHGH-UHFFFAOYSA-N 0 0 428.941 4.236 50 0 IIAARN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000000857812 555571626 /nfs/dbraw/zinc/57/16/26/555571626.db2.gz RMUYKJKWLJZMIP-UHFFFAOYSA-N 0 0 446.878 4.177 50 0 IIAARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009464535 555575274 /nfs/dbraw/zinc/57/52/74/555575274.db2.gz NLWIFRPAWMINFF-WYMLVPIESA-N 0 0 442.581 4.393 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000000873107 555575941 /nfs/dbraw/zinc/57/59/41/555575941.db2.gz SEXGTLRWMAMART-UHFFFAOYSA-N 0 0 425.901 4.366 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000885099 555578937 /nfs/dbraw/zinc/57/89/37/555578937.db2.gz RSMDZMZNXBEGTL-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)o2)cc1OC ZINC000000904480 555582037 /nfs/dbraw/zinc/58/20/37/555582037.db2.gz OPOAQDDBEOPBQM-UHFFFAOYSA-N 0 0 428.510 4.182 50 0 IIAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1OC ZINC000000919532 555584067 /nfs/dbraw/zinc/58/40/67/555584067.db2.gz SCKVSCHGIWZMOG-PXAZEXFGSA-N 0 0 436.390 4.406 50 0 IIAARN Cc1cc(I)ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000000943216 555587430 /nfs/dbraw/zinc/58/74/30/555587430.db2.gz LTYHAUWIMHJWNL-OAHLLOKOSA-N 0 0 438.290 4.041 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000000948237 555588514 /nfs/dbraw/zinc/58/85/14/555588514.db2.gz AFCCEOWGIXZVGV-UHFFFAOYSA-N 0 0 437.359 4.122 50 0 IIAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000969887 555591218 /nfs/dbraw/zinc/59/12/18/555591218.db2.gz QGASFYNNKFBMAQ-UHFFFAOYSA-N 0 0 442.968 4.279 50 0 IIAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)nc1C ZINC000001020440 555603735 /nfs/dbraw/zinc/60/37/35/555603735.db2.gz ANVNMUFADPHSOV-GOSISDBHSA-N 0 0 446.484 4.484 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc2ccccc2c1 ZINC000001032554 555606592 /nfs/dbraw/zinc/60/65/92/555606592.db2.gz GMLUYNQHGGYFMY-UHFFFAOYSA-N 0 0 432.505 4.137 50 0 IIAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 ZINC000001033822 555607031 /nfs/dbraw/zinc/60/70/31/555607031.db2.gz FIMKNTGYVXLQTN-UHFFFAOYSA-N 0 0 428.579 4.277 50 0 IIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000001049119 555612395 /nfs/dbraw/zinc/61/23/95/555612395.db2.gz DPDCMNWLNFYFJZ-UHFFFAOYSA-N 0 0 446.931 4.481 50 0 IIAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2c1Cl ZINC000001052037 555613329 /nfs/dbraw/zinc/61/33/29/555613329.db2.gz AHKYWGLSFUPNSB-UHFFFAOYSA-N 0 0 431.322 4.116 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000001054147 555614222 /nfs/dbraw/zinc/61/42/22/555614222.db2.gz PLVBPBBFJTYFFS-UHFFFAOYSA-N 0 0 433.869 4.448 50 0 IIAARN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1OC ZINC000001064992 555617823 /nfs/dbraw/zinc/61/78/23/555617823.db2.gz NDVMGDHGFGTTQW-UHFFFAOYSA-N 0 0 447.516 4.317 50 0 IIAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001065613 555618242 /nfs/dbraw/zinc/61/82/42/555618242.db2.gz GHLIDTMUNJOXLF-UHFFFAOYSA-N 0 0 438.505 4.096 50 0 IIAARN CCOC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccs1 ZINC000001067181 555618959 /nfs/dbraw/zinc/61/89/59/555618959.db2.gz YHMUKNUJSWOODE-UHFFFAOYSA-N 0 0 429.513 4.423 50 0 IIAARN COc1cc(Br)cc2cc(C(=O)Oc3cccc4cccnc43)c(=O)oc21 ZINC000001067338 555618976 /nfs/dbraw/zinc/61/89/76/555618976.db2.gz UTLPUOTWOMJYCZ-UHFFFAOYSA-N 0 0 426.222 4.332 50 0 IIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3n2)cc1OC ZINC000001071137 555621208 /nfs/dbraw/zinc/62/12/08/555621208.db2.gz LEISFURDIKCWTM-UHFFFAOYSA-N 0 0 443.385 4.080 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1 ZINC000001077229 555624649 /nfs/dbraw/zinc/62/46/49/555624649.db2.gz RGRMLRFENXCEQZ-FQEVSTJZSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)c1c(NC(=O)c2cc3cccc(OC)c3oc2=O)sc2c1CCCC2 ZINC000001077378 555624996 /nfs/dbraw/zinc/62/49/96/555624996.db2.gz PEEVUTXBMQTIJR-UHFFFAOYSA-N 0 0 427.478 4.171 50 0 IIAARN CCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001078594 555625170 /nfs/dbraw/zinc/62/51/70/555625170.db2.gz UTZKRAKAMIVNCL-UHFFFAOYSA-N 0 0 442.512 4.231 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccccc2)cc1Cl ZINC000001079721 555625901 /nfs/dbraw/zinc/62/59/01/555625901.db2.gz MASYLVXQLBUKSQ-UHFFFAOYSA-N 0 0 444.940 4.178 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000001092969 555627557 /nfs/dbraw/zinc/62/75/57/555627557.db2.gz JLICSMVWCGGRHB-QQNJPBSNSA-N 0 0 427.887 4.480 50 0 IIAARN CC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001112578 555632603 /nfs/dbraw/zinc/63/26/03/555632603.db2.gz SDIJLYZHDJUPFZ-UHFFFAOYSA-N 0 0 442.924 4.377 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OCC ZINC000001113286 555633030 /nfs/dbraw/zinc/63/30/30/555633030.db2.gz RLYWBKAFFDRAMQ-UHFFFAOYSA-N 0 0 446.569 4.301 50 0 IIAARN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000001117412 555635169 /nfs/dbraw/zinc/63/51/69/555635169.db2.gz CINSSMJYQPKKTJ-UHFFFAOYSA-N 0 0 438.716 4.308 50 0 IIAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001119556 555636641 /nfs/dbraw/zinc/63/66/41/555636641.db2.gz UZGJKNXJEWEBTB-QWHCGFSZSA-N 0 0 445.368 4.476 50 0 IIAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001119558 555636679 /nfs/dbraw/zinc/63/66/79/555636679.db2.gz UZGJKNXJEWEBTB-OLZOCXBDSA-N 0 0 445.368 4.476 50 0 IIAARN COc1ccc(NC(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c(OC)c1 ZINC000001121309 555637964 /nfs/dbraw/zinc/63/79/64/555637964.db2.gz UUMQJRUBBORSJJ-UHFFFAOYSA-N 0 0 444.484 4.478 50 0 IIAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)o1 ZINC000001122453 555638492 /nfs/dbraw/zinc/63/84/92/555638492.db2.gz QKMCWQWUOGUCDZ-JOCHJYFZSA-N 0 0 440.293 4.358 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)n(-c2ccccc2)n1 ZINC000001126287 555641081 /nfs/dbraw/zinc/64/10/81/555641081.db2.gz XWBHJHRCAFWTRG-GOSISDBHSA-N 0 0 425.286 4.075 50 0 IIAARN CCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001128045 555642583 /nfs/dbraw/zinc/64/25/83/555642583.db2.gz NZMRBKUSSNJPIJ-UHFFFAOYSA-N 0 0 428.485 4.058 50 0 IIAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O ZINC000001130681 555644149 /nfs/dbraw/zinc/64/41/49/555644149.db2.gz JYYHSKGSXDSOKE-UHFFFAOYSA-N 0 0 426.440 4.306 50 0 IIAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)ccc1OCC(C)C ZINC000001132954 555645703 /nfs/dbraw/zinc/64/57/03/555645703.db2.gz OKWOBAYYNVCYST-JOCHJYFZSA-N 0 0 439.581 4.470 50 0 IIAARN COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001133671 555646031 /nfs/dbraw/zinc/64/60/31/555646031.db2.gz BSKZUHKVEJIFHR-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN CC1(C)Cc2nc(NC(=O)c3cccc(I)c3)sc2C(=O)C1 ZINC000001135503 555646818 /nfs/dbraw/zinc/64/68/18/555646818.db2.gz VSLQYBMGVVPKNH-UHFFFAOYSA-N 0 0 426.279 4.155 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000001138994 555648365 /nfs/dbraw/zinc/64/83/65/555648365.db2.gz LTUZFVDGIUJBAR-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1cc(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O ZINC000001143601 555651511 /nfs/dbraw/zinc/65/15/11/555651511.db2.gz QJMBVBIJOVYRTF-PXNMLYILSA-N 0 0 432.885 4.038 50 0 IIAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Cl)cc2)c1 ZINC000001145333 555652987 /nfs/dbraw/zinc/65/29/87/555652987.db2.gz ZLNBWESRRBGGRY-UHFFFAOYSA-N 0 0 426.325 4.234 50 0 aggregator IIAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccncc1 ZINC000001146128 555653560 /nfs/dbraw/zinc/65/35/60/555653560.db2.gz WQSXNVXTTFAORW-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN CCOc1ccc(N(CC(=O)Nc2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001146418 555653737 /nfs/dbraw/zinc/65/37/37/555653737.db2.gz FLACUGPNVRQEEA-UHFFFAOYSA-N 0 0 438.549 4.482 50 0 IIAARN CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1ccncc1 ZINC000001146735 555653796 /nfs/dbraw/zinc/65/37/96/555653796.db2.gz ANWIEYITLHMIRJ-UHFFFAOYSA-N 0 0 446.374 4.470 50 0 IIAARN CC[C@@H](Sc1nnc(-c2cccc(N)c2)n1C)C(=O)Nc1ccc(Br)cc1 ZINC000001148581 555654935 /nfs/dbraw/zinc/65/49/35/555654935.db2.gz PUUUAVFQMUOTQM-MRXNPFEDSA-N 0 0 446.374 4.336 50 0 IIAARN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001148770 555655275 /nfs/dbraw/zinc/65/52/75/555655275.db2.gz AAAUQUNVAVSFJI-UHFFFAOYSA-N 0 0 427.478 4.222 50 0 IIAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000001149764 555655525 /nfs/dbraw/zinc/65/55/25/555655525.db2.gz XKNMOZQGIKKZOB-UHFFFAOYSA-N 0 0 442.968 4.279 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C)cc2)cc1 ZINC000001150278 555656091 /nfs/dbraw/zinc/65/60/91/555656091.db2.gz SNXLJQPRTYIDCT-UHFFFAOYSA-N 0 0 442.512 4.367 50 0 IIAARN CCc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001152209 555656926 /nfs/dbraw/zinc/65/69/26/555656926.db2.gz NXLGUIYHAFZHKO-UHFFFAOYSA-N 0 0 426.513 4.218 50 0 IIAARN C[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001152674 555657219 /nfs/dbraw/zinc/65/72/19/555657219.db2.gz FUCMGWGFWLQZTG-IBGZPJMESA-N 0 0 438.549 4.292 50 0 IIAARN COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 ZINC000001153968 555657914 /nfs/dbraw/zinc/65/79/14/555657914.db2.gz QEVLJLDWDUJGTJ-UHFFFAOYSA-N 0 0 443.455 4.152 50 0 IIAARN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccccc3)n2)cc1OC ZINC000001156540 555658977 /nfs/dbraw/zinc/65/89/77/555658977.db2.gz KKYRODMQZQEOAS-DHZHZOJOSA-N 0 0 425.535 4.354 50 0 IIAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001161526 555661973 /nfs/dbraw/zinc/66/19/73/555661973.db2.gz MLWQMAWIMAXSFI-UHFFFAOYSA-N 0 0 430.551 4.213 50 0 IIAARN COc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001162245 555662329 /nfs/dbraw/zinc/66/23/29/555662329.db2.gz JFNIDQSKEZFVDZ-UHFFFAOYSA-N 0 0 436.961 4.311 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C(C)C)cc2)cc1 ZINC000001170103 555666120 /nfs/dbraw/zinc/66/61/20/555666120.db2.gz RBOFLMOEWKOSPH-UHFFFAOYSA-N 0 0 437.565 4.025 50 0 IIAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001173355 555668191 /nfs/dbraw/zinc/66/81/91/555668191.db2.gz WHGCEBGUHQBPGG-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001174752 555669200 /nfs/dbraw/zinc/66/92/00/555669200.db2.gz PSECVUQEVLQCLM-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OC ZINC000001176932 555670007 /nfs/dbraw/zinc/67/00/07/555670007.db2.gz WHQKAXOPJGBGKS-YVLHZVERSA-N 0 0 446.912 4.341 50 0 IIAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(I)cc1Cl ZINC000001181223 555671951 /nfs/dbraw/zinc/67/19/51/555671951.db2.gz MUIHOLHUDMXIQP-RMKNXTFCSA-N 0 0 442.709 4.471 50 0 IIAARN CCc1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001194339 555676353 /nfs/dbraw/zinc/67/63/53/555676353.db2.gz QKCFZSLNKMSJQR-UHFFFAOYSA-N 0 0 434.867 4.326 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2F)cc1 ZINC000001410934 555694337 /nfs/dbraw/zinc/69/43/37/555694337.db2.gz ZCNAPTBRHZFDMF-UHFFFAOYSA-N 0 0 448.466 4.242 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000001427052 555696289 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444.988 4.402 50 0 IIAARN Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000002146243 555749114 /nfs/dbraw/zinc/74/91/14/555749114.db2.gz BFDLFMMSFFSOCV-UHFFFAOYSA-N 0 0 425.992 4.089 50 0 IIAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccncc1 ZINC000002234283 555760510 /nfs/dbraw/zinc/76/05/10/555760510.db2.gz LXJLKQXCDOZEJC-UHFFFAOYSA-N 0 0 427.839 4.280 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002248955 555762182 /nfs/dbraw/zinc/76/21/82/555762182.db2.gz QJGLQFUVLCTTKD-VIFPVBQESA-N 0 0 430.839 4.039 50 0 IIAARN COc1ccc(C)cc1-n1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 ZINC000002264965 555763744 /nfs/dbraw/zinc/76/37/44/555763744.db2.gz XOIMKVLHKIGDHI-UHFFFAOYSA-N 0 0 443.532 4.464 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cnccn2)cc1 ZINC000002352599 555771148 /nfs/dbraw/zinc/77/11/48/555771148.db2.gz ZZAIPSAUKSLWED-UHFFFAOYSA-N 0 0 430.537 4.380 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)C[C@H](C(C)C)OC3 ZINC000002365280 555772630 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556628172 /nfs/dbraw/zinc/62/81/72/556628172.db2.gz NNFHMVKZXGKQPO-JOCHJYFZSA-N 0 0 446.341 4.442 50 0 IIAARN COc1cc2cccnc2c(NC(=O)CCC(=O)Nc2cc(OC)cc3cccnc32)c1 ZINC000039427499 556628757 /nfs/dbraw/zinc/62/87/57/556628757.db2.gz PEZADRCSNVHMPS-UHFFFAOYSA-N 0 0 430.464 4.158 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)NCc3ccccc3)C2)cc1 ZINC000097938711 556634987 /nfs/dbraw/zinc/63/49/87/556634987.db2.gz LYLINATUQAJYGO-FQEVSTJZSA-N 0 0 427.508 4.264 50 0 IIAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccc(OC)cc4)C3)sc2c1 ZINC000005105550 556635502 /nfs/dbraw/zinc/63/55/02/556635502.db2.gz WQJTVQGDBSCSAC-KRWDZBQOSA-N 0 0 425.554 4.236 50 0 IIAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000016742519 556636263 /nfs/dbraw/zinc/63/62/63/556636263.db2.gz WXNBZHAICUKIEP-CQSZACIVSA-N 0 0 446.352 4.123 50 0 IIAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000016751093 556637277 /nfs/dbraw/zinc/63/72/77/556637277.db2.gz VNULTAQBPCHZFZ-KRWDZBQOSA-N 0 0 444.281 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ZINC000038487646 556649494 /nfs/dbraw/zinc/64/94/94/556649494.db2.gz YMGTUYOIMKRECL-UHFFFAOYSA-N 0 0 433.537 4.255 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1N1CCCC1=O ZINC000011746374 556650120 /nfs/dbraw/zinc/65/01/20/556650120.db2.gz KLRMWYLZLZGIDF-SFHVURJKSA-N 0 0 439.943 4.266 50 0 IIAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)c(C)c1 ZINC000011758515 556652950 /nfs/dbraw/zinc/65/29/50/556652950.db2.gz UARMJORRGWVPCL-UHFFFAOYSA-N 0 0 436.516 4.065 50 0 IIAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c1=O ZINC000038652647 556653701 /nfs/dbraw/zinc/65/37/01/556653701.db2.gz RQEYLSFIORAJPI-UHFFFAOYSA-N 0 0 442.878 4.244 50 0 IIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(F)cc3)s2)cc1 ZINC000017043631 556654048 /nfs/dbraw/zinc/65/40/48/556654048.db2.gz QMDWPIDKHIDXHJ-UHFFFAOYSA-N 0 0 433.530 4.201 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000011765546 556654504 /nfs/dbraw/zinc/65/45/04/556654504.db2.gz DEYANMWXTJJDOT-QHCPKHFHSA-N 0 0 443.613 4.235 50 0 IIAARN COc1cccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)c1 ZINC000033006020 556655246 /nfs/dbraw/zinc/65/52/46/556655246.db2.gz GAZWQYFTBFCWCB-UHFFFAOYSA-N 0 0 441.531 4.309 50 0 IIAARN COc1cc(OC)c(NC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)cc1Cl ZINC000033008933 556656244 /nfs/dbraw/zinc/65/62/44/556656244.db2.gz YHITXTMRFUTDCL-UHFFFAOYSA-N 0 0 443.912 4.449 50 0 IIAARN NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccn(C(F)F)n1 ZINC000017095339 556658784 /nfs/dbraw/zinc/65/87/84/556658784.db2.gz XQRLAMUFLYFDAP-UHFFFAOYSA-N 0 0 427.383 4.054 50 0 IIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccn(Cc4cccc(C(F)(F)F)c4)n3)c12 ZINC000017095753 556659281 /nfs/dbraw/zinc/65/92/81/556659281.db2.gz HAEJBJDKEBWVCC-UHFFFAOYSA-N 0 0 428.418 4.101 50 0 IIAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1OC ZINC000011835132 556659383 /nfs/dbraw/zinc/65/93/83/556659383.db2.gz LQLHGYLSLBGUFX-UHFFFAOYSA-N 0 0 429.473 4.123 50 0 IIAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)[nH]c(=O)c1C ZINC000011854989 556662149 /nfs/dbraw/zinc/66/21/49/556662149.db2.gz YEBYBPNQXCSWPH-UHFFFAOYSA-N 0 0 431.477 4.299 50 0 IIAARN Cn1cc(S(=O)(=O)n2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cn1 ZINC000017099214 556664514 /nfs/dbraw/zinc/66/45/14/556664514.db2.gz HSHZJGIQFKEILT-UHFFFAOYSA-N 0 0 434.855 4.119 50 0 IIAARN Cc1n[nH]c(=O)c(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)c1C ZINC000071843902 556666701 /nfs/dbraw/zinc/66/67/01/556666701.db2.gz SSLTZEQXNNRZML-UHFFFAOYSA-N 0 0 442.269 4.033 50 0 IIAARN Cc1ccc(C[C@@]2(CCC(=O)N3CCC(Oc4ccc(F)cc4)CC3)CCC(=O)N2)cc1 ZINC000011869738 556667777 /nfs/dbraw/zinc/66/77/77/556667777.db2.gz FXNWEPYYKQKSME-SANMLTNESA-N 0 0 438.543 4.176 50 0 IIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(I)cc2)c1 ZINC000017138687 556669491 /nfs/dbraw/zinc/66/94/91/556669491.db2.gz GNWMYIJCCNBNAJ-UHFFFAOYSA-N 0 0 427.249 4.472 50 0 IIAARN O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000017161463 556670699 /nfs/dbraw/zinc/67/06/99/556670699.db2.gz HULPZOKWDANLBU-NXVVXOECSA-N 0 0 429.910 4.025 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000011914239 556673659 /nfs/dbraw/zinc/67/36/59/556673659.db2.gz SXDHVFUSSNNYSV-UHFFFAOYSA-N 0 0 425.872 4.095 50 0 IIAARN CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000011914094 556673660 /nfs/dbraw/zinc/67/36/60/556673660.db2.gz BKDIKCBWNNOTIE-JOCHJYFZSA-N 0 0 437.496 4.072 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1F ZINC000011916920 556675084 /nfs/dbraw/zinc/67/50/84/556675084.db2.gz OXXUVEZJKRBFJG-UHFFFAOYSA-N 0 0 443.500 4.216 50 0 IIAARN O=C(Nc1ccccc1Br)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999224 556679958 /nfs/dbraw/zinc/67/99/58/556679958.db2.gz LCBBKNGBCNXMND-UHFFFAOYSA-N 0 0 443.750 4.285 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000017987215 556680899 /nfs/dbraw/zinc/68/08/99/556680899.db2.gz XEENHAYLCUILCC-RTBURBONSA-N 0 0 440.293 4.166 50 0 IIAARN CCOC(=O)C1=C(O)CC(Nc2ccc(Br)cn2)=C[C@@H]1c1cccc(OC)c1 ZINC000001079959 556690205 /nfs/dbraw/zinc/69/02/05/556690205.db2.gz XIPYCTKLEHZMCO-XLIONFOSSA-N 0 0 445.313 4.084 50 0 IIAARN COc1ccccc1CNC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2nc1OC ZINC000046006714 556690618 /nfs/dbraw/zinc/69/06/18/556690618.db2.gz QCOLNKBSQAZJBO-UHFFFAOYSA-N 0 0 444.535 4.304 50 0 IIAARN COc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1OC ZINC000046009346 556690936 /nfs/dbraw/zinc/69/09/36/556690936.db2.gz SFNCOMWLZGXTOD-UHFFFAOYSA-N 0 0 448.479 4.331 50 0 IIAARN CC(=O)c1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)c1 ZINC000046023829 556691184 /nfs/dbraw/zinc/69/11/84/556691184.db2.gz OOUOUZYZLSOFNP-UHFFFAOYSA-N 0 0 433.899 4.445 50 0 IIAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583354 556699728 /nfs/dbraw/zinc/69/97/28/556699728.db2.gz ZAORTCRTKSGSIN-UHFFFAOYSA-N 0 0 440.952 4.364 50 0 IIAARN O=C(Cc1ccccc1)NCC12CC3CC(C1)CC(CNC(=O)Cc1ccccc1)(C3)C2 ZINC000004603435 556701469 /nfs/dbraw/zinc/70/14/69/556701469.db2.gz QJXAKRNULAMWLU-UHFFFAOYSA-N 0 0 430.592 4.291 50 0 IIAARN O=C(COc1cccc(F)c1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026136 556702233 /nfs/dbraw/zinc/70/22/33/556702233.db2.gz ORAUWNSKIBSAMH-UHFFFAOYSA-N 0 0 435.480 4.143 50 0 IIAARN Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NC4CCCC4)c3)s2)c1 ZINC000033027365 556706445 /nfs/dbraw/zinc/70/64/45/556706445.db2.gz IZSJLWRERZMDAZ-UHFFFAOYSA-N 0 0 436.537 4.350 50 0 IIAARN Cc1cc(C)cc(OCc2nnc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)s2)c1 ZINC000033027457 556706483 /nfs/dbraw/zinc/70/64/83/556706483.db2.gz ZYLKOHXSQFIJIQ-UHFFFAOYSA-N 0 0 436.537 4.222 50 0 IIAARN COc1cccc(C(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)c1 ZINC000019222389 556716137 /nfs/dbraw/zinc/71/61/37/556716137.db2.gz KNKXIDBXCGIVPB-UHFFFAOYSA-N 0 0 425.916 4.270 50 0 IIAARN COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(Cc3ccco3)CO4)c2=O)cc1 ZINC000013719207 556717703 /nfs/dbraw/zinc/71/77/03/556717703.db2.gz VFCXOZXVGIFFES-UHFFFAOYSA-N 0 0 433.416 4.317 50 0 IIAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000033037196 556722387 /nfs/dbraw/zinc/72/23/87/556722387.db2.gz NBCIEHBUIVJHTA-JOCHJYFZSA-N 0 0 432.524 4.023 50 0 IIAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(Cl)cc1 ZINC000072328328 556725137 /nfs/dbraw/zinc/72/51/37/556725137.db2.gz KKWNFRFLHHPELB-UHFFFAOYSA-N 0 0 446.732 4.033 50 0 IIAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)[nH]n2)cc1 ZINC000072331252 556730113 /nfs/dbraw/zinc/73/01/13/556730113.db2.gz YZGKRKJMWZRZPN-UHFFFAOYSA-N 0 0 446.551 4.421 50 0 IIAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3Cl)C2)cc1 ZINC000060359531 556732026 /nfs/dbraw/zinc/73/20/26/556732026.db2.gz SHWSVIVPBDWJBU-HNNXBMFYSA-N 0 0 441.380 4.133 50 0 IIAARN O=C(c1cc(NCc2ccc(F)cc2C(F)(F)F)nc2ccccc21)N1CCOCC1 ZINC000071954313 556736040 /nfs/dbraw/zinc/73/60/40/556736040.db2.gz LKQZBWUBSYNCFC-UHFFFAOYSA-N 0 0 433.405 4.477 50 0 IIAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055198234 556737260 /nfs/dbraw/zinc/73/72/60/556737260.db2.gz AEGAWARRMNYHHO-IBGZPJMESA-N 0 0 435.465 4.271 50 0 IIAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000079112574 556737751 /nfs/dbraw/zinc/73/77/51/556737751.db2.gz CKRIFWBVPTWIGZ-OAQYLSRUSA-N 0 0 437.521 4.341 50 0 IIAARN COc1ccccc1[C@@H](C)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 ZINC000055225520 556738201 /nfs/dbraw/zinc/73/82/01/556738201.db2.gz ANXHFYLBPBPAFI-LJQANCHMSA-N 0 0 441.597 4.121 50 0 IIAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000055253989 556739002 /nfs/dbraw/zinc/73/90/02/556739002.db2.gz HGGOJMBELKVOOC-IBGZPJMESA-N 0 0 444.457 4.345 50 0 IIAARN Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)o1 ZINC000055368914 556740698 /nfs/dbraw/zinc/74/06/98/556740698.db2.gz PRTGPHXDLJKNBD-HXUWFJFHSA-N 0 0 435.490 4.342 50 0 IIAARN Clc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(Cl)c1 ZINC000055390903 556741209 /nfs/dbraw/zinc/74/12/09/556741209.db2.gz CWMYZJUHEDETDH-UHFFFAOYSA-N 0 0 439.350 4.445 50 0 IIAARN COc1cc(OC)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1Br ZINC000055543804 556741995 /nfs/dbraw/zinc/74/19/95/556741995.db2.gz OJZPCMBUSLYINK-UHFFFAOYSA-N 0 0 425.754 4.442 50 0 IIAARN CCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000033048105 556743498 /nfs/dbraw/zinc/74/34/98/556743498.db2.gz DXNOTVVOOFQEMY-UHFFFAOYSA-N 0 0 426.586 4.317 50 0 IIAARN CCOC(=O)COc1ccc(C)cc1C(=O)c1ccn2nc(-c3ccc(C)cc3)cc2n1 ZINC000013828395 556744672 /nfs/dbraw/zinc/74/46/72/556744672.db2.gz CJWSVXZFPOMPTM-UHFFFAOYSA-N 0 0 429.476 4.186 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CN3c4ccccc4SC(C)(C)CC3=O)C[C@H]2C)c1 ZINC000009847599 556749091 /nfs/dbraw/zinc/74/90/91/556749091.db2.gz GKKNILBELHBHNT-LJQANCHMSA-N 0 0 437.609 4.340 50 0 IIAARN CCOc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)cc1 ZINC000072333373 556749844 /nfs/dbraw/zinc/74/98/44/556749844.db2.gz WVMBGBIRHCXYNQ-UHFFFAOYSA-N 0 0 434.525 4.362 50 0 IIAARN Cc1nc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000057993028 556751118 /nfs/dbraw/zinc/75/11/18/556751118.db2.gz FEBHISDLKBDPEU-UHFFFAOYSA-N 0 0 429.567 4.141 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000058014277 556753360 /nfs/dbraw/zinc/75/33/60/556753360.db2.gz VJVHBXLKOFUNFD-HOTGVXAUSA-N 0 0 430.533 4.241 50 0 IIAARN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000058014372 556753820 /nfs/dbraw/zinc/75/38/20/556753820.db2.gz YDABVTVENIZVBS-OAQYLSRUSA-N 0 0 429.476 4.241 50 0 IIAARN Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000010656866 556755572 /nfs/dbraw/zinc/75/55/72/556755572.db2.gz TYTSMSAQEARZTQ-UHFFFAOYSA-N 0 0 425.535 4.353 50 0 IIAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058112929 556759203 /nfs/dbraw/zinc/75/92/03/556759203.db2.gz FUBGVGRROGSDTE-HNNXBMFYSA-N 0 0 433.455 4.184 50 0 IIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cc(OC)c(OC)c(OC)c1)CO3 ZINC000061997681 556764152 /nfs/dbraw/zinc/76/41/52/556764152.db2.gz OQUCIRFLQUDNMK-UHFFFAOYSA-N 0 0 425.481 4.042 50 0 biogenic IIAARN O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000058163567 556766337 /nfs/dbraw/zinc/76/63/37/556766337.db2.gz IBHUSTUALRPPLM-UHFFFAOYSA-N 0 0 434.471 4.119 50 0 IIAARN CC(C)(C)n1ccn(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1=S ZINC000058168951 556767271 /nfs/dbraw/zinc/76/72/71/556767271.db2.gz MOXJEUTWMOOTOX-UHFFFAOYSA-N 0 0 447.008 4.253 50 0 IIAARN Clc1cccc(N2CCN(Cc3nc(-c4cccc(Br)c4)no3)CC2)c1 ZINC000058173551 556768793 /nfs/dbraw/zinc/76/87/93/556768793.db2.gz ICDVHHQYWRKLIG-UHFFFAOYSA-N 0 0 433.737 4.475 50 0 IIAARN Cc1cc(C(=O)CN2CCC[C@@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176693 556769629 /nfs/dbraw/zinc/76/96/29/556769629.db2.gz CIKWKVWWPWBXKH-HSZRJFAPSA-N 0 0 429.564 4.123 50 0 IIAARN COc1ccc(C[C@H](NC(=O)N[C@H](C)c2nnc3ccccn32)c2ccc(OC)cc2)cc1 ZINC000058209323 556772000 /nfs/dbraw/zinc/77/20/00/556772000.db2.gz QPQREKWDYJUIPH-VGSWGCGISA-N 0 0 445.523 4.091 50 0 IIAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](C(C)C)n3cnc4cc(F)c(F)cc43)cn2)n1 ZINC000058218309 556772791 /nfs/dbraw/zinc/77/27/91/556772791.db2.gz CBYGETVEGVRSLH-JOCHJYFZSA-N 0 0 438.482 4.026 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000058244118 556774758 /nfs/dbraw/zinc/77/47/58/556774758.db2.gz SUSSBQKMRHAOBX-QHCPKHFHSA-N 0 0 437.515 4.326 50 0 IIAARN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)cc1 ZINC000058282268 556777469 /nfs/dbraw/zinc/77/74/69/556777469.db2.gz ZHCDOWWCKWTOHN-UUOWRZLLSA-N 0 0 433.614 4.022 50 0 IIAARN O=C(Nc1cccc(NC(=O)c2ccc(I)cc2)c1)c1ccco1 ZINC000011177487 556777730 /nfs/dbraw/zinc/77/77/30/556777730.db2.gz GIFUFZYQJQTSSO-UHFFFAOYSA-N 0 0 432.217 4.389 50 0 IIAARN Cc1cc(C)c2c(OCC(=O)Nc3cccc(COc4cccc(F)c4)c3)nn(C)c2n1 ZINC000058306674 556778990 /nfs/dbraw/zinc/77/89/90/556778990.db2.gz OWZWSVIINMMBCP-UHFFFAOYSA-N 0 0 434.471 4.321 50 0 IIAARN Cc1onc2c1c(-c1ccccc1)nn(CC(=O)Nc1cccc(Cl)c1Cl)c2=O ZINC000058309104 556779519 /nfs/dbraw/zinc/77/95/19/556779519.db2.gz JGSBNXJOHAZKQI-UHFFFAOYSA-N 0 0 429.263 4.305 50 0 IIAARN CNC(=O)c1cc(OC)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000058312920 556780094 /nfs/dbraw/zinc/78/00/94/556780094.db2.gz RWFGTXSOKALBFR-UHFFFAOYSA-N 0 0 449.536 4.361 50 0 IIAARN Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)nn1-c1ccccc1C(F)(F)F ZINC000058370968 556783798 /nfs/dbraw/zinc/78/37/98/556783798.db2.gz ACHKTXCPFNGPJH-UHFFFAOYSA-N 0 0 445.397 4.319 50 0 IIAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058381636 556784518 /nfs/dbraw/zinc/78/45/18/556784518.db2.gz SKRMHNCHBDVBQY-UHFFFAOYSA-N 0 0 442.971 4.243 50 0 IIAARN CC(C)C[C@@H](CNC(=O)Nc1cccc(CSc2ccccn2)c1)N1CCOCC1 ZINC000058392780 556785035 /nfs/dbraw/zinc/78/50/35/556785035.db2.gz LRXLBLFOWQTAQN-NRFANRHFSA-N 0 0 428.602 4.242 50 0 IIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000058406037 556785806 /nfs/dbraw/zinc/78/58/06/556785806.db2.gz LWKJXDKSJRQMST-SFHVURJKSA-N 0 0 441.329 4.447 50 0 IIAARN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000058440068 556788993 /nfs/dbraw/zinc/78/89/93/556788993.db2.gz AFWNYEKWBKRKIK-NOZRDPDXSA-N 0 0 434.536 4.167 50 0 IIAARN Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000058582644 556790217 /nfs/dbraw/zinc/79/02/17/556790217.db2.gz SUXXPQBAINHFFF-UHFFFAOYSA-N 0 0 442.397 4.105 50 0 IIAARN O=C(COc1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000059143916 556795369 /nfs/dbraw/zinc/79/53/69/556795369.db2.gz BPVNBEZDBVMTKN-UHFFFAOYSA-N 0 0 438.896 4.435 50 0 IIAARN Cc1ccccc1-n1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000011198371 556797354 /nfs/dbraw/zinc/79/73/54/556797354.db2.gz JSMPLPHOEIARQP-KRWDZBQOSA-N 0 0 443.960 4.208 50 0 IIAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC(=O)NCc1ccccc1 ZINC000002625753 556800679 /nfs/dbraw/zinc/80/06/79/556800679.db2.gz SKPJNSBPOZOATA-UHFFFAOYSA-N 0 0 449.561 4.114 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 ZINC000033050596 556801072 /nfs/dbraw/zinc/80/10/72/556801072.db2.gz KVEONMLSYKCHFD-UHFFFAOYSA-N 0 0 436.581 4.334 50 0 IIAARN CC(C)COc1cccc(OCC(=O)Nc2ccccc2I)c1 ZINC000003196793 556804317 /nfs/dbraw/zinc/80/43/17/556804317.db2.gz NSXHMOIWTCAHCY-UHFFFAOYSA-N 0 0 425.266 4.344 50 0 IIAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1I ZINC000003360092 556811730 /nfs/dbraw/zinc/81/17/30/556811730.db2.gz KLXBNKZLAAYGNZ-UHFFFAOYSA-N 0 0 432.213 4.106 50 0 IIAARN COc1ccc(C(=O)Oc2ccccc2C)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000003328641 556812314 /nfs/dbraw/zinc/81/23/14/556812314.db2.gz QIIXFKUZHMMDCQ-UHFFFAOYSA-N 0 0 437.517 4.364 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(OC)c1 ZINC000011205927 556812424 /nfs/dbraw/zinc/81/24/24/556812424.db2.gz ZNXPSONLYWZXNN-UHFFFAOYSA-N 0 0 441.553 4.191 50 0 IIAARN Cc1cc(C(C)(C)C)ccc1OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003404112 556814448 /nfs/dbraw/zinc/81/44/48/556814448.db2.gz GASSWTGQEJZMRV-UHFFFAOYSA-N 0 0 433.545 4.438 50 0 IIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cccc(OC(F)F)c1 ZINC000003377049 556816292 /nfs/dbraw/zinc/81/62/92/556816292.db2.gz MJVHSQLPJJKFAD-UHFFFAOYSA-N 0 0 441.452 4.445 50 0 IIAARN CCOc1ccc(-n2c(SCC(=O)NC(CC)CC)nc3ccccc3c2=O)cc1 ZINC000003493962 556816767 /nfs/dbraw/zinc/81/67/67/556816767.db2.gz MCJYYWFOEQNQAD-UHFFFAOYSA-N 0 0 425.554 4.181 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccc(Cl)c2)C12CCCC2 ZINC000072402723 556818296 /nfs/dbraw/zinc/81/82/96/556818296.db2.gz WGVJTICEINKXOT-NRFANRHFSA-N 0 0 426.944 4.155 50 0 IIAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)c1 ZINC000033067703 556819551 /nfs/dbraw/zinc/81/95/51/556819551.db2.gz ODEVVZKUHRSQHP-UHFFFAOYSA-N 0 0 426.929 4.490 50 0 IIAARN COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000033067790 556819743 /nfs/dbraw/zinc/81/97/43/556819743.db2.gz SRZIZMBERLFHCG-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064661895 556825679 /nfs/dbraw/zinc/82/56/79/556825679.db2.gz IXRMMRIDFSQXCF-QHCPKHFHSA-N 0 0 427.545 4.419 50 0 IIAARN O=C(NCCc1ccccc1)[C@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000064958749 556829691 /nfs/dbraw/zinc/82/96/91/556829691.db2.gz LEROTAWQDQUSCU-NRFANRHFSA-N 0 0 443.526 4.111 50 0 IIAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccc(Cl)cc3)ccc21 ZINC000064983984 556829969 /nfs/dbraw/zinc/82/99/69/556829969.db2.gz HJUPRNFNTMZBDY-FQEVSTJZSA-N 0 0 448.972 4.391 50 0 IIAARN COc1ccc2c(COC(=O)c3ccccc3SC[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000019606005 556831261 /nfs/dbraw/zinc/83/12/61/556831261.db2.gz CTCJYMNGFMCSFI-KRWDZBQOSA-N 0 0 426.490 4.430 50 0 IIAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccc(Cl)c4)cc32)c1 ZINC000065003022 556831213 /nfs/dbraw/zinc/83/12/13/556831213.db2.gz AOXIFNPQLKJPCI-UHFFFAOYSA-N 0 0 440.952 4.330 50 0 IIAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000065003225 556831491 /nfs/dbraw/zinc/83/14/91/556831491.db2.gz ABHYGWFNGIJJMO-UHFFFAOYSA-N 0 0 446.572 4.247 50 0 IIAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019630963 556832549 /nfs/dbraw/zinc/83/25/49/556832549.db2.gz QDTNMLKYLJWMGQ-UHFFFAOYSA-N 0 0 439.991 4.460 50 0 IIAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000065362628 556834563 /nfs/dbraw/zinc/83/45/63/556834563.db2.gz AAPGJLRCSANVSG-OAHLLOKOSA-N 0 0 442.445 4.064 50 0 IIAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N(C)Cc1cn(C)nc1C ZINC000019637047 556835772 /nfs/dbraw/zinc/83/57/72/556835772.db2.gz RSPSSGUFJNGIOH-UHFFFAOYSA-N 0 0 442.610 4.386 50 0 IIAARN Cc1nc2scc(-c3cccs3)c2c(N2CCCN(C(=O)Cc3ccccn3)CC2)n1 ZINC000062581812 556837833 /nfs/dbraw/zinc/83/78/33/556837833.db2.gz JYBBPQLLIOVQPO-UHFFFAOYSA-N 0 0 449.605 4.405 50 0 IIAARN COc1cc(Br)c(-c2nc(CSc3nnc(N)s3)cs2)cc1OC ZINC000019643114 556838145 /nfs/dbraw/zinc/83/81/45/556838145.db2.gz VGJBQCQKDUXVNM-UHFFFAOYSA-N 0 0 445.389 4.316 50 0 IIAARN COc1ccc2nc(N(CCCN3CCOCC3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000022997628 556838623 /nfs/dbraw/zinc/83/86/23/556838623.db2.gz SKAPBCXJPXPQMR-SOFGYWHQSA-N 0 0 443.594 4.135 50 0 IIAARN O=C(c1ccc(Cl)nc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023001939 556841431 /nfs/dbraw/zinc/84/14/31/556841431.db2.gz RSZKPUVNHZYQSY-UHFFFAOYSA-N 0 0 439.652 4.418 50 0 IIAARN COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000008729140 556843690 /nfs/dbraw/zinc/84/36/90/556843690.db2.gz XFFPVJHEOZEWOT-UONOGXRCSA-N 0 0 438.355 4.138 50 0 IIAARN CCCCc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008765008 556845624 /nfs/dbraw/zinc/84/56/24/556845624.db2.gz YVOUHSQRRBQKPK-QHCPKHFHSA-N 0 0 446.551 4.392 50 0 biogenic IIAARN O=C1N(CCOc2ccc(Cl)cc2)c2ccccc2[C@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000068713294 556849489 /nfs/dbraw/zinc/84/94/89/556849489.db2.gz XDWKUSDXCPDQMT-GJZUVCINSA-N 0 0 447.918 4.399 50 0 IIAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2c1 ZINC000033070664 556851294 /nfs/dbraw/zinc/85/12/94/556851294.db2.gz UAEZMLPPAFJPKU-UHFFFAOYSA-N 0 0 432.908 4.387 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000033071232 556851502 /nfs/dbraw/zinc/85/15/02/556851502.db2.gz ORCIRKGFUQLVSB-UHFFFAOYSA-N 0 0 427.346 4.167 50 0 IIAARN Cc1ccc(CCNC(=O)C2CCN(c3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000033071239 556851636 /nfs/dbraw/zinc/85/16/36/556851636.db2.gz FGSOPTBAJHMHES-UHFFFAOYSA-N 0 0 441.373 4.209 50 0 IIAARN COc1ccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072775 556852314 /nfs/dbraw/zinc/85/23/14/556852314.db2.gz SSOOLVHMHSKSSK-UHFFFAOYSA-N 0 0 432.499 4.266 50 0 IIAARN O=C(Nc1ccccc1F)c1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000033073948 556852923 /nfs/dbraw/zinc/85/29/23/556852923.db2.gz DNMJHVAAJVSJQX-UHFFFAOYSA-N 0 0 436.462 4.467 50 0 IIAARN CC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033078529 556853425 /nfs/dbraw/zinc/85/34/25/556853425.db2.gz YGAIMIYWFLMGCV-UHFFFAOYSA-N 0 0 429.520 4.255 50 0 IIAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCN3CCCc4ccccc43)C2)s1 ZINC000033078452 556853484 /nfs/dbraw/zinc/85/34/84/556853484.db2.gz WIKIAEWGXKKAOI-IBGZPJMESA-N 0 0 449.624 4.039 50 0 IIAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCCc5ccccc5)CC4)c32)cc1 ZINC000033084796 556854673 /nfs/dbraw/zinc/85/46/73/556854673.db2.gz MDPANUHFEFPPFW-UHFFFAOYSA-N 0 0 441.535 4.169 50 0 IIAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3Br)cc12 ZINC000033084488 556854682 /nfs/dbraw/zinc/85/46/82/556854682.db2.gz DPWQMZGFEPDCHB-UHFFFAOYSA-N 0 0 426.314 4.395 50 0 IIAARN COc1ccccc1NC(=O)C1CCN(c2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000033084763 556854785 /nfs/dbraw/zinc/85/47/85/556854785.db2.gz RBSOOPZSVDVGQM-UHFFFAOYSA-N 0 0 447.470 4.288 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088522 556855429 /nfs/dbraw/zinc/85/54/29/556855429.db2.gz GOKCPQQEVRJMPH-UHFFFAOYSA-N 0 0 425.729 4.448 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nc3ccccc3nc2OC)CC1 ZINC000033088255 556856194 /nfs/dbraw/zinc/85/61/94/556856194.db2.gz WGWFFRJYYZRLCE-UHFFFAOYSA-N 0 0 426.904 4.156 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc3ccccc3nc2OC)CC1 ZINC000033088277 556856201 /nfs/dbraw/zinc/85/62/01/556856201.db2.gz CPXGDNLMLBMZGZ-UHFFFAOYSA-N 0 0 440.931 4.464 50 0 IIAARN COc1cccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106553 556859189 /nfs/dbraw/zinc/85/91/89/556859189.db2.gz AWGPAEUDQDKANG-UHFFFAOYSA-N 0 0 441.535 4.447 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3F)C2)s1 ZINC000033113050 556859662 /nfs/dbraw/zinc/85/96/62/556859662.db2.gz VHUQJOYEFZTEEN-ZDUSSCGKSA-N 0 0 443.479 4.480 50 0 IIAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)s1 ZINC000033114109 556860968 /nfs/dbraw/zinc/86/09/68/556860968.db2.gz BPVNSEKRWAGLBD-UHFFFAOYSA-N 0 0 443.479 4.480 50 0 IIAARN O=C(Nc1ccc(F)cc1F)c1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000033114023 556860983 /nfs/dbraw/zinc/86/09/83/556860983.db2.gz YANLXRATBSLLCH-UHFFFAOYSA-N 0 0 434.493 4.150 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5)nn43)CC2)o1 ZINC000033115868 556861787 /nfs/dbraw/zinc/86/17/87/556861787.db2.gz PXEWKZRJHZLYEX-UHFFFAOYSA-N 0 0 429.524 4.139 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000033121901 556863054 /nfs/dbraw/zinc/86/30/54/556863054.db2.gz IQTBXZFAXSVJMK-UHFFFAOYSA-N 0 0 433.537 4.336 50 0 IIAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@H]2CCCO2)cc1 ZINC000004673084 556868149 /nfs/dbraw/zinc/86/81/49/556868149.db2.gz SDJGJWVJJIOCLC-ISKFKSNPSA-N 0 0 428.573 4.089 50 0 IIAARN CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138464 556869698 /nfs/dbraw/zinc/86/96/98/556869698.db2.gz SBPFHXFESMKWEH-UHFFFAOYSA-N 0 0 427.551 4.092 50 0 IIAARN Nc1nnc(SCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)s1 ZINC000072414775 556874662 /nfs/dbraw/zinc/87/46/62/556874662.db2.gz FSNCHESUCVAMDQ-MRXNPFEDSA-N 0 0 429.958 4.244 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000033141776 556877923 /nfs/dbraw/zinc/87/79/23/556877923.db2.gz NXHDMSQSMQKJRY-HNNXBMFYSA-N 0 0 430.551 4.073 50 0 IIAARN COc1ccc(NC(=O)COCC(=O)NC2CCCCCCCCCCC2)c(OC)c1 ZINC000004680776 556878450 /nfs/dbraw/zinc/87/84/50/556878450.db2.gz VDCGUEGWZCPNDM-UHFFFAOYSA-N 0 0 434.577 4.448 50 0 IIAARN CCOc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCCC2)cc1OCC ZINC000004686174 556879057 /nfs/dbraw/zinc/87/90/57/556879057.db2.gz PMQKCARGEAMGHA-VWLOTQADSA-N 0 0 430.589 4.247 50 0 IIAARN CCCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000015954001 556880512 /nfs/dbraw/zinc/88/05/12/556880512.db2.gz AEGPEEMAIWHGII-RXFWQSSRSA-N 0 0 441.568 4.367 50 0 biogenic IIAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168690 556880843 /nfs/dbraw/zinc/88/08/43/556880843.db2.gz LERYYEMCKIRGLV-HXUWFJFHSA-N 0 0 448.592 4.478 50 0 IIAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000033170989 556881871 /nfs/dbraw/zinc/88/18/71/556881871.db2.gz OAFSHLOIMGBOPZ-XFXZXTDPSA-N 0 0 445.928 4.244 50 0 IIAARN COc1cc2[nH]c3c(ncnc3SCC(=O)NCc3ccccc3Cl)c2cc1OC ZINC000033172722 556883031 /nfs/dbraw/zinc/88/30/31/556883031.db2.gz VLERFGPUAFCHTB-UHFFFAOYSA-N 0 0 442.928 4.190 50 0 IIAARN O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000033170147 556885534 /nfs/dbraw/zinc/88/55/34/556885534.db2.gz YUZDSWORMQFKNR-UHFFFAOYSA-N 0 0 439.972 4.187 50 0 IIAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(CC)cc3)cc2)nc2cccnc21 ZINC000033170481 556885861 /nfs/dbraw/zinc/88/58/61/556885861.db2.gz KFDZCVOQJZQVKQ-UHFFFAOYSA-N 0 0 426.520 4.361 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)cc1 ZINC000033170545 556885937 /nfs/dbraw/zinc/88/59/37/556885937.db2.gz IQBMYHDNUWIHSQ-GHXNOFRVSA-N 0 0 441.509 4.230 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1OC ZINC000033170754 556886323 /nfs/dbraw/zinc/88/63/23/556886323.db2.gz FOODEYRFGAQPSF-UHFFFAOYSA-N 0 0 448.523 4.206 50 0 IIAARN COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)c(CC(=S)N4CCOCC4)cc3CC[C@@H]12 ZINC000071770789 556888091 /nfs/dbraw/zinc/88/80/91/556888091.db2.gz HWSTUAPZICADRB-IEZKXTBUSA-N 0 0 445.625 4.081 50 0 IIAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249390 556889157 /nfs/dbraw/zinc/88/91/57/556889157.db2.gz ZEVLNPOATCNWAQ-UHFFFAOYSA-N 0 0 444.940 4.356 50 0 IIAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000033249523 556889370 /nfs/dbraw/zinc/88/93/70/556889370.db2.gz SLSSBPKZXUOGJR-AVRDEDQJSA-N 0 0 428.504 4.361 50 0 IIAARN Cn1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255928 556895028 /nfs/dbraw/zinc/89/50/28/556895028.db2.gz XEXOMPRSJTWXRW-UHFFFAOYSA-N 0 0 448.454 4.114 50 0 IIAARN CCc1cc(Sc2ccccc2NC(=O)Cc2ccc(OC)cc2)n2nc(C)nc2n1 ZINC000033257089 556895667 /nfs/dbraw/zinc/89/56/67/556895667.db2.gz VBYWPPZSDSHWCV-UHFFFAOYSA-N 0 0 433.537 4.336 50 0 IIAARN Cc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4Br)CC3)cc2)no1 ZINC000033258160 556895692 /nfs/dbraw/zinc/89/56/92/556895692.db2.gz BCGLTIXVCVNHIE-UHFFFAOYSA-N 0 0 442.317 4.162 50 0 IIAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCCC5=CCCCC5)CC4)nn32)c1 ZINC000033260240 556896873 /nfs/dbraw/zinc/89/68/73/556896873.db2.gz KDSYLLJMJRIRHA-UHFFFAOYSA-N 0 0 444.583 4.323 50 0 IIAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000019799913 556917245 /nfs/dbraw/zinc/91/72/45/556917245.db2.gz JXGHDRYHXMCZJB-AWEZNQCLSA-N 0 0 426.797 4.374 50 0 IIAARN COc1ccc(OC)c(-n2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)c1 ZINC000019821345 556924437 /nfs/dbraw/zinc/92/44/37/556924437.db2.gz LUIAODFTCUSYNB-UHFFFAOYSA-N 0 0 430.439 4.165 50 0 IIAARN COc1cc(-c2nn3c(nnc3-c3cc(-c4ccc(C)cc4)n[nH]3)s2)cc(OC)c1OC ZINC000019827194 556925815 /nfs/dbraw/zinc/92/58/15/556925815.db2.gz OEASOKXFIXPPHE-UHFFFAOYSA-N 0 0 448.508 4.244 50 0 IIAARN O=C(Nc1cccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1)C1CC1 ZINC000010668552 556927396 /nfs/dbraw/zinc/92/73/96/556927396.db2.gz RWNWOWZEQTVSOZ-UHFFFAOYSA-N 0 0 432.851 4.186 50 0 IIAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859881 556932469 /nfs/dbraw/zinc/93/24/69/556932469.db2.gz QQJHMFCWVYMUPV-GOSISDBHSA-N 0 0 434.989 4.391 50 0 IIAARN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860457 556932884 /nfs/dbraw/zinc/93/28/84/556932884.db2.gz YWBOQUVXSMKINS-MRXNPFEDSA-N 0 0 439.002 4.242 50 0 IIAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1nnn(Cc2ccc(C)cc2)c1N ZINC000019897442 556940562 /nfs/dbraw/zinc/94/05/62/556940562.db2.gz KKEWZSRRHYSNCV-UHFFFAOYSA-N 0 0 439.976 4.441 50 0 IIAARN COc1cccc(NCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1 ZINC000019897525 556940629 /nfs/dbraw/zinc/94/06/29/556940629.db2.gz WXGHBBWBZNSCQQ-UHFFFAOYSA-N 0 0 430.331 4.019 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCOCC2)cc1 ZINC000019897810 556940868 /nfs/dbraw/zinc/94/08/68/556940868.db2.gz KGXRTTWQQMAQDM-HXUWFJFHSA-N 0 0 428.916 4.207 50 0 IIAARN CC1CCN(C[C@@H](CS(=O)(=O)c2ccc3ccccc3c2)N2CCC(C)CC2)CC1 ZINC000019899400 556941758 /nfs/dbraw/zinc/94/17/58/556941758.db2.gz UQGLPKMBJIDDJG-DEOSSOPVSA-N 0 0 428.642 4.446 50 0 IIAARN O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019911347 556943335 /nfs/dbraw/zinc/94/33/35/556943335.db2.gz BRDZNLIYCHBDDZ-UHFFFAOYSA-N 0 0 432.904 4.381 50 0 IIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000020001883 556957731 /nfs/dbraw/zinc/95/77/31/556957731.db2.gz WMHBXGGOVSLDMU-LBPRGKRZSA-N 0 0 444.866 4.321 50 0 IIAARN CSc1ccc([C@@H]2N=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000020028276 556967552 /nfs/dbraw/zinc/96/75/52/556967552.db2.gz AEJBNXWFULGOFT-JOCHJYFZSA-N 0 0 446.580 4.131 50 0 IIAARN COc1cc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc(OC)c1 ZINC000020095701 556979484 /nfs/dbraw/zinc/97/94/84/556979484.db2.gz NLXFJIOJTUAYQA-INIZCTEOSA-N 0 0 433.508 4.006 50 0 IIAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000020096015 556979719 /nfs/dbraw/zinc/97/97/19/556979719.db2.gz ZCVZTOGVYLBKKY-UHFFFAOYSA-N 0 0 444.466 4.190 50 0 IIAARN Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000020101949 556980434 /nfs/dbraw/zinc/98/04/34/556980434.db2.gz FSRABZGMMCZKPJ-QFIPXVFZSA-N 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COc1cccc([C@@H]2CC(c3ccc(OC)c(OC)c3OC)=NN2C(=O)c2ccco2)c1 ZINC000097105083 556987646 /nfs/dbraw/zinc/98/76/46/556987646.db2.gz BJXQLHJKFHAXRZ-IBGZPJMESA-N 0 0 436.464 4.306 50 0 IIAARN COc1cccc([C@H]2CC(c3ccc(OC)c(OC)c3OC)=NN2C(=O)c2ccco2)c1 ZINC000097105084 556987665 /nfs/dbraw/zinc/98/76/65/556987665.db2.gz BJXQLHJKFHAXRZ-LJQANCHMSA-N 0 0 436.464 4.306 50 0 IIAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2cccc(Cl)c2)C1 ZINC000097105752 556987959 /nfs/dbraw/zinc/98/79/59/556987959.db2.gz XUDYIJWIVSMBCX-LJQANCHMSA-N 0 0 443.912 4.296 50 0 IIAARN Brc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)cc1 ZINC000020134566 556988091 /nfs/dbraw/zinc/98/80/91/556988091.db2.gz IBGVCSCPDAIATE-UHFFFAOYSA-N 0 0 425.330 4.051 50 0 IIAARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Br)cc2)o1)c1c(C)[nH][nH]c1=O ZINC000020139441 556989005 /nfs/dbraw/zinc/98/90/05/556989005.db2.gz ADIYBBUIPJTWON-UHFFFAOYSA-N 0 0 429.274 4.364 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000020176536 556995161 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ZINC000045991681 557017092 /nfs/dbraw/zinc/01/70/92/557017092.db2.gz XVTJIWZYVDNKAS-QGZVFWFLSA-N 0 0 446.507 4.461 50 0 IIAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc(C)c12 ZINC000045991817 557017371 /nfs/dbraw/zinc/01/73/71/557017371.db2.gz XOMGJJCGFVJBKJ-KRWDZBQOSA-N 0 0 444.491 4.215 50 0 IIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1 ZINC000045992043 557017572 /nfs/dbraw/zinc/01/75/72/557017572.db2.gz AIGDZRPSXWZHJJ-MRXNPFEDSA-N 0 0 446.507 4.367 50 0 IIAARN COc1ccc(CNC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045991994 557017695 /nfs/dbraw/zinc/01/76/95/557017695.db2.gz ZBDNGDJOVLNAJO-QGZVFWFLSA-N 0 0 430.508 4.036 50 0 IIAARN COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010689324 557017748 /nfs/dbraw/zinc/01/77/48/557017748.db2.gz GYHBWPUVLLDZJL-QFIPXVFZSA-N 0 0 441.531 4.245 50 0 IIAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693067 557018881 /nfs/dbraw/zinc/01/88/81/557018881.db2.gz 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O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000072059178 557025224 /nfs/dbraw/zinc/02/52/24/557025224.db2.gz OSFLWZDRJFUTLD-HNNXBMFYSA-N 0 0 440.805 4.331 50 0 IIAARN CCN(C(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1)c1cccc(C)c1 ZINC000032944409 557025666 /nfs/dbraw/zinc/02/56/66/557025666.db2.gz ZIWIPKVHXWIWTM-UHFFFAOYSA-N 0 0 427.526 4.349 50 0 IIAARN CC(C)C[C@@H](C(=O)N(Cc1ccccc1)c1ccccn1)N1C(=O)c2ccccc2C1=O ZINC000010779870 557026236 /nfs/dbraw/zinc/02/62/36/557026236.db2.gz SZEBIIRJDWVHDI-QFIPXVFZSA-N 0 0 427.504 4.326 50 0 IIAARN O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053576 557026468 /nfs/dbraw/zinc/02/64/68/557026468.db2.gz MZKIBZRHQOQYGE-QGZVFWFLSA-N 0 0 425.504 4.088 50 0 IIAARN O=C1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccc3)ccc2N1 ZINC000072079419 557027456 /nfs/dbraw/zinc/02/74/56/557027456.db2.gz OLUXPPWCJXYJLK-UHFFFAOYSA-N 0 0 435.427 4.182 50 0 IIAARN COc1cccc(-n2ccn3c(SCc4cccc(C(F)(F)F)c4)nnc3c2=O)c1 ZINC000046047566 557028090 /nfs/dbraw/zinc/02/80/90/557028090.db2.gz ZAGPTOYCDBPBDX-UHFFFAOYSA-N 0 0 432.427 4.200 50 0 IIAARN Cc1ccc([C@H]2CC(c3cccc4nccnc43)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000060208320 557028591 /nfs/dbraw/zinc/02/85/91/557028591.db2.gz CZEZKNDGIQTIHT-HSZRJFAPSA-N 0 0 428.517 4.478 50 0 IIAARN COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 ZINC000046056981 557028812 /nfs/dbraw/zinc/02/88/12/557028812.db2.gz VKDOIFTVWSAMLC-KRWDZBQOSA-N 0 0 440.297 4.261 50 0 IIAARN CSc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010813936 557029791 /nfs/dbraw/zinc/02/97/91/557029791.db2.gz JXCXKMCDUUVMLB-AWEZNQCLSA-N 0 0 431.004 4.305 50 0 IIAARN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000022184462 557030909 /nfs/dbraw/zinc/03/09/09/557030909.db2.gz BFURIAHBAFFMEX-QGZVFWFLSA-N 0 0 428.941 4.413 50 0 IIAARN CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc3ccccc32)c1=O ZINC000046079269 557034015 /nfs/dbraw/zinc/03/40/15/557034015.db2.gz AVDDJLJAJFGSPC-UHFFFAOYSA-N 0 0 426.476 4.051 50 0 IIAARN C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)C1=O ZINC000022527727 557035776 /nfs/dbraw/zinc/03/57/76/557035776.db2.gz DGSLSOWHLUGUOK-MTFQBRFNSA-N 0 0 438.527 4.214 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)c1 ZINC000046122939 557036552 /nfs/dbraw/zinc/03/65/52/557036552.db2.gz BOCLHZGNIBZTBX-QGZVFWFLSA-N 0 0 436.537 4.127 50 0 IIAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)s1 ZINC000046123589 557037137 /nfs/dbraw/zinc/03/71/37/557037137.db2.gz HQAOKBOAVXONEZ-ZDUSSCGKSA-N 0 0 428.464 4.088 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1C ZINC000010863557 557043365 /nfs/dbraw/zinc/04/33/65/557043365.db2.gz MAZHODANHVPGBU-QGZVFWFLSA-N 0 0 447.487 4.386 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000010869301 557044564 /nfs/dbraw/zinc/04/45/64/557044564.db2.gz CUWJQOKOBHLBJS-HNNXBMFYSA-N 0 0 432.904 4.336 50 0 IIAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181740 557045849 /nfs/dbraw/zinc/04/58/49/557045849.db2.gz QANQVIWJUCBTRP-NTKDMRAZSA-N 0 0 435.593 4.439 50 0 IIAARN C[C@@H](NC(=S)Nc1ccc(Br)cc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000023182284 557045998 /nfs/dbraw/zinc/04/59/98/557045998.db2.gz VWUIVLIQRYZKBQ-DYVFJYSZSA-N 0 0 440.432 4.259 50 0 IIAARN C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@H](c1cccs1)N1CCOCC1 ZINC000023182280 557046134 /nfs/dbraw/zinc/04/61/34/557046134.db2.gz VWUIVLIQRYZKBQ-SUMWQHHRSA-N 0 0 440.432 4.259 50 0 IIAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2nccn2Cc2ccccc2)C1 ZINC000097049031 557046191 /nfs/dbraw/zinc/04/61/91/557046191.db2.gz JSLZNGCYLUIZRX-ZWKOTPCHSA-N 0 0 438.494 4.351 50 0 IIAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc4c(c3)OCO4)sc2c1 ZINC000033271644 557049826 /nfs/dbraw/zinc/04/98/26/557049826.db2.gz JYGJVPDXYIQILP-CQSZACIVSA-N 0 0 434.477 4.002 50 0 IIAARN COc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1OC ZINC000033272000 557050837 /nfs/dbraw/zinc/05/08/37/557050837.db2.gz CCTQMJWDRXKGHW-UHFFFAOYSA-N 0 0 438.505 4.070 50 0 IIAARN CCOc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000017307668 557053814 /nfs/dbraw/zinc/05/38/14/557053814.db2.gz WVSMVBXJEWOUFJ-QGZVFWFLSA-N 0 0 425.428 4.062 50 0 IIAARN C[C@@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2F)C[C@H](C)O1 ZINC000048276295 557056318 /nfs/dbraw/zinc/05/63/18/557056318.db2.gz VGOJIOCMHGIIHK-OKILXGFUSA-N 0 0 430.505 4.122 50 0 IIAARN CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032948346 557056512 /nfs/dbraw/zinc/05/65/12/557056512.db2.gz HYPDSCGKIIADPR-UHFFFAOYSA-N 0 0 441.003 4.119 50 0 IIAARN CCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4C)ccc3n2C)cc1 ZINC000033276964 557057902 /nfs/dbraw/zinc/05/79/02/557057902.db2.gz KDYICCQGTXPOID-UHFFFAOYSA-N 0 0 448.548 4.099 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000023046248 557059774 /nfs/dbraw/zinc/05/97/74/557059774.db2.gz JSSILVAQYUIWSZ-UHFFFAOYSA-N 0 0 445.504 4.106 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000023053363 557059861 /nfs/dbraw/zinc/05/98/61/557059861.db2.gz SJWURZPAHQQLAZ-UHFFFAOYSA-N 0 0 439.493 4.293 50 0 IIAARN CCOc1ccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1 ZINC000033278339 557060157 /nfs/dbraw/zinc/06/01/57/557060157.db2.gz UDSDSVNNUMGCMB-UHFFFAOYSA-N 0 0 426.904 4.318 50 0 IIAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4)n3c2)c1 ZINC000033284339 557063536 /nfs/dbraw/zinc/06/35/36/557063536.db2.gz MKMJSRCLHRBIFA-UHFFFAOYSA-N 0 0 435.484 4.160 50 0 IIAARN O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000033287468 557064720 /nfs/dbraw/zinc/06/47/20/557064720.db2.gz GNZYUZDLOYDTHZ-UHFFFAOYSA-N 0 0 430.430 4.409 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 ZINC000033287431 557064745 /nfs/dbraw/zinc/06/47/45/557064745.db2.gz SWZFOYHYOYXSLO-UHFFFAOYSA-N 0 0 448.910 4.465 50 0 IIAARN O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000033287465 557064749 /nfs/dbraw/zinc/06/47/49/557064749.db2.gz DHGMEQWLPKBCKU-UHFFFAOYSA-N 0 0 430.430 4.409 50 0 IIAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCCOc1ccccc1OC ZINC000023128374 557065709 /nfs/dbraw/zinc/06/57/09/557065709.db2.gz RYROBAOWHXXDQU-ZHZULCJRSA-N 0 0 428.510 4.080 50 0 IIAARN Clc1ccc(-c2cc3ncnc(NC[C@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000048326452 557068838 /nfs/dbraw/zinc/06/88/38/557068838.db2.gz XDWOEZCPXKWZRE-QFBILLFUSA-N 0 0 444.988 4.161 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1OC ZINC000033290463 557068913 /nfs/dbraw/zinc/06/89/13/557068913.db2.gz LWGREQDZHFHYIU-OAHLLOKOSA-N 0 0 432.480 4.248 50 0 IIAARN CCCc1ccc(S(=O)(=O)Nc2ccc3nc(S(=O)(=O)CCC)sc3c2)cc1 ZINC000033299013 557074902 /nfs/dbraw/zinc/07/49/02/557074902.db2.gz ASVPMYUKSNQIEZ-UHFFFAOYSA-N 0 0 438.596 4.233 50 0 IIAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000010898193 557076676 /nfs/dbraw/zinc/07/66/76/557076676.db2.gz IMOZNGOZVRULQG-UHFFFAOYSA-N 0 0 432.553 4.151 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049006996 557085740 /nfs/dbraw/zinc/08/57/40/557085740.db2.gz IUHROCNNHFXSIY-UHFFFAOYSA-N 0 0 445.397 4.275 50 0 IIAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)NCc3ccccc3)s2)c1NC(=O)C1CC1 ZINC000033306667 557085767 /nfs/dbraw/zinc/08/57/67/557085767.db2.gz CZWMQNFVPUOUNO-PKNBQFBNSA-N 0 0 443.550 4.042 50 0 IIAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n3C(C)C)no1 ZINC000033306775 557086160 /nfs/dbraw/zinc/08/61/60/557086160.db2.gz MAUSXIOKFBLTGU-UHFFFAOYSA-N 0 0 425.876 4.034 50 0 IIAARN CCOc1cc(OCC)c(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000023382901 557089831 /nfs/dbraw/zinc/08/98/31/557089831.db2.gz PGACUWRJTCLHSB-WJDWOHSUSA-N 0 0 431.286 4.344 50 0 IIAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccn3)CC2)[nH]n1 ZINC000049002338 557090175 /nfs/dbraw/zinc/09/01/75/557090175.db2.gz QTIXNQKNVISEHC-UHFFFAOYSA-N 0 0 448.527 4.005 50 0 IIAARN COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004759992 557090140 /nfs/dbraw/zinc/09/01/40/557090140.db2.gz GFEALESELGGHFE-VXKWHMMOSA-N 0 0 442.581 4.467 50 0 IIAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1SC(F)F ZINC000011329028 557091066 /nfs/dbraw/zinc/09/10/66/557091066.db2.gz UNOOWVQNWGZDMJ-UHFFFAOYSA-N 0 0 428.482 4.434 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(CCc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 ZINC000033309827 557092279 /nfs/dbraw/zinc/09/22/79/557092279.db2.gz SQXVLKWGVCUNBX-UHFFFAOYSA-N 0 0 446.507 4.389 50 0 IIAARN CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)C1 ZINC000033310235 557093649 /nfs/dbraw/zinc/09/36/49/557093649.db2.gz HJUZQIVGYJDBJI-SFHVURJKSA-N 0 0 437.544 4.327 50 0 IIAARN COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc5nsnc54)C3)nn2)cc1 ZINC000049371882 557094576 /nfs/dbraw/zinc/09/45/76/557094576.db2.gz NXSFANQUGDIXET-MRXNPFEDSA-N 0 0 446.536 4.012 50 0 IIAARN Cc1nc(C2(NC(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)CCCCC2)no1 ZINC000023508556 557095175 /nfs/dbraw/zinc/09/51/75/557095175.db2.gz JCUQOKSQEVUMPG-UHFFFAOYSA-N 0 0 439.516 4.412 50 0 IIAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)c1)N1CCCC1 ZINC000033311535 557095581 /nfs/dbraw/zinc/09/55/81/557095581.db2.gz IKMAGDFTFIOXKL-QGZVFWFLSA-N 0 0 428.479 4.132 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1c(C)cccc1C ZINC000049400979 557096718 /nfs/dbraw/zinc/09/67/18/557096718.db2.gz XORKHGROJFKROM-UHFFFAOYSA-N 0 0 442.519 4.396 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1OC ZINC000049401735 557097383 /nfs/dbraw/zinc/09/73/83/557097383.db2.gz UDOPBTJYBOWRHO-UHFFFAOYSA-N 0 0 434.496 4.141 50 0 IIAARN Cc1cc(NC(=O)CCN2C(=S)N=NC2c2ccc(F)cc2)ccc1Br ZINC000010916870 557099020 /nfs/dbraw/zinc/09/90/20/557099020.db2.gz MLQCMTBYMRVKSY-UHFFFAOYSA-N 0 0 435.322 4.473 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccc(C)cc3)cccn12 ZINC000049404880 557099896 /nfs/dbraw/zinc/09/98/96/557099896.db2.gz VKDAGZQVGZFHTD-UHFFFAOYSA-N 0 0 442.491 4.274 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)c1ccc2c(c1)-c1ccccc1C2 ZINC000023596117 557100433 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0 IIAARN Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)c1C ZINC000049409644 557104657 /nfs/dbraw/zinc/10/46/57/557104657.db2.gz QMGBNWNFEGKVNO-LJQANCHMSA-N 0 0 446.599 4.307 50 0 IIAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2cccs2)Cc2cccn2C)cc1 ZINC000049410056 557105558 /nfs/dbraw/zinc/10/55/58/557105558.db2.gz LGDPZBVWRHUIOZ-UHFFFAOYSA-N 0 0 430.595 4.040 50 0 IIAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3F)n2)cc1 ZINC000033325065 557107227 /nfs/dbraw/zinc/10/72/27/557107227.db2.gz FZVIUZMFQATNSV-UHFFFAOYSA-N 0 0 449.438 4.481 50 0 IIAARN Cc1ccccc1-c1csc2c1[nH]c(N1CCC[C@H](C(=O)NCCC(C)C)C1)nc2=O ZINC000049421413 557108038 /nfs/dbraw/zinc/10/80/38/557108038.db2.gz PTNRZENNTMTQEY-KRWDZBQOSA-N 0 0 438.597 4.339 50 0 IIAARN C[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)C1 ZINC000049421358 557108078 /nfs/dbraw/zinc/10/80/78/557108078.db2.gz GGCBXVWQDIRCSF-AEFFLSMTSA-N 0 0 436.581 4.127 50 0 IIAARN C[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C2)C1 ZINC000049421357 557108097 /nfs/dbraw/zinc/10/80/97/557108097.db2.gz GGCBXVWQDIRCSF-FUHWJXTLSA-N 0 0 436.581 4.127 50 0 IIAARN COC(=O)c1cn(CCn2ccc3cc(OCc4ccccc4)ccc32)cc2c(=O)[nH]nc1-2 ZINC000409415499 557110304 /nfs/dbraw/zinc/11/03/04/557110304.db2.gz MAFVBLOZUDBLKI-UHFFFAOYSA-N 0 0 442.475 4.109 50 0 IIAARN O=C(Nc1ccc(F)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000049543981 557110919 /nfs/dbraw/zinc/11/09/19/557110919.db2.gz IBWQVUAMDIJZGZ-UHFFFAOYSA-N 0 0 430.911 4.069 50 0 IIAARN COc1ccc(CN2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1F ZINC000023738177 557112325 /nfs/dbraw/zinc/11/23/25/557112325.db2.gz KZBHFDFMQFMOOC-UHFFFAOYSA-N 0 0 444.510 4.131 50 0 IIAARN COc1cccc([C@H]2CC(=O)N(c3ccc(Br)cc3)c3c2sc(=O)n3C)c1 ZINC000049547814 557112432 /nfs/dbraw/zinc/11/24/32/557112432.db2.gz HVTPPRIOKZMECL-MRXNPFEDSA-N 0 0 445.338 4.418 50 0 IIAARN Cc1c(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cnn1-c1ccccc1 ZINC000049504823 557114208 /nfs/dbraw/zinc/11/42/08/557114208.db2.gz NWEDYOVPTXCDHS-UHFFFAOYSA-N 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O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CC=C(c2ccccc2)CC1 ZINC000023908968 557125612 /nfs/dbraw/zinc/12/56/12/557125612.db2.gz LWKCFUXKBAGJHC-NDEPHWFRSA-N 0 0 437.543 4.423 50 0 IIAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000023918839 557125814 /nfs/dbraw/zinc/12/58/14/557125814.db2.gz UQBPRCSUMNCHQR-INIZCTEOSA-N 0 0 425.529 4.304 50 0 IIAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000017886434 557127201 /nfs/dbraw/zinc/12/72/01/557127201.db2.gz QCAPIHXQUSPMAK-SMIHKQSGSA-N 0 0 444.487 4.063 50 0 IIAARN Cc1ccc(-c2csc3[nH]c(CN(C)Cc4ccc5c(c4)OCCO5)nc(=O)c23)s1 ZINC000023956650 557127906 /nfs/dbraw/zinc/12/79/06/557127906.db2.gz VRFPQKYPDXTUGT-UHFFFAOYSA-N 0 0 439.562 4.425 50 0 IIAARN O=C(NCc1ccccc1CN1CCOCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000023982745 557129443 /nfs/dbraw/zinc/12/94/43/557129443.db2.gz FTWKRPNDUKHUJJ-UHFFFAOYSA-N 0 0 438.531 4.059 50 0 IIAARN COc1ccc(-c2nnn(CN3CCc4sccc4[C@@H]3c3cccs3)n2)cc1OC ZINC000023983911 557129506 /nfs/dbraw/zinc/12/95/06/557129506.db2.gz LAGSOCGFBPPEOR-HXUWFJFHSA-N 0 0 439.566 4.086 50 0 IIAARN Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCC(Cc2ccccc2)CC1 ZINC000055382870 557131485 /nfs/dbraw/zinc/13/14/85/557131485.db2.gz QBLOSCAUAXISJT-UHFFFAOYSA-N 0 0 427.342 4.199 50 0 IIAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000002860604 557133810 /nfs/dbraw/zinc/13/38/10/557133810.db2.gz ZATNFHKRVAVPQV-UHFFFAOYSA-N 0 0 435.461 4.414 50 0 IIAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000000697038 557137631 /nfs/dbraw/zinc/13/76/31/557137631.db2.gz NJHRCKHFQAFUET-UHFFFAOYSA-N 0 0 446.438 4.453 50 0 IIAARN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1CC(=O)N(c3cccc(C)c3C)C1)CC2 ZINC000024113015 557137605 /nfs/dbraw/zinc/13/76/05/557137605.db2.gz SUGLCWCLPRZGHQ-NRFANRHFSA-N 0 0 436.552 4.039 50 0 IIAARN CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000000707456 557140676 /nfs/dbraw/zinc/14/06/76/557140676.db2.gz SIVJRGOXNPLPNH-UHFFFAOYSA-N 0 0 425.535 4.104 50 0 IIAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011416653 557143197 /nfs/dbraw/zinc/14/31/97/557143197.db2.gz ZBWQKUZPSMUGLW-UHFFFAOYSA-N 0 0 440.714 4.142 50 0 IIAARN Cc1ccc(Cn2cc(C(=O)NCc3nnc4ccccn43)c(-c3ccc(C)cc3)n2)cc1 ZINC000024333257 557144179 /nfs/dbraw/zinc/14/41/79/557144179.db2.gz CQWWPSJXCNSYBQ-UHFFFAOYSA-N 0 0 436.519 4.188 50 0 IIAARN Cc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2cccs2)cc1 ZINC000024799144 557146600 /nfs/dbraw/zinc/14/66/00/557146600.db2.gz HBNWETCLJQDZKU-HXOBKFHXSA-N 0 0 434.517 4.044 50 0 IIAARN COCCCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cc2C1=O ZINC000024458403 557147789 /nfs/dbraw/zinc/14/77/89/557147789.db2.gz IVKACSMNAGGXMK-ZDUSSCGKSA-N 0 0 449.334 4.459 50 0 IIAARN O=c1c(Cl)c(N2CCN(Cc3ccccc3C(F)(F)F)CC2)cnn1-c1ccccc1 ZINC000024582894 557152292 /nfs/dbraw/zinc/15/22/92/557152292.db2.gz RUXALCNFZXHJFZ-UHFFFAOYSA-N 0 0 448.876 4.227 50 0 IIAARN COc1c(C)cccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000000725005 557153258 /nfs/dbraw/zinc/15/32/58/557153258.db2.gz VYPBQQVPCHOIED-UHFFFAOYSA-N 0 0 429.520 4.218 50 0 IIAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000024646550 557157008 /nfs/dbraw/zinc/15/70/08/557157008.db2.gz ZEACMQRCPFTQLM-IBGZPJMESA-N 0 0 432.863 4.394 50 0 IIAARN CCOc1cc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC ZINC000024745871 557161454 /nfs/dbraw/zinc/16/14/54/557161454.db2.gz FBIHRUQIVDKEKQ-UHFFFAOYSA-N 0 0 443.503 4.173 50 0 IIAARN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)cc2C1=O ZINC000011548924 557162281 /nfs/dbraw/zinc/16/22/81/557162281.db2.gz LJNCICHFFLJNLF-NRFANRHFSA-N 0 0 436.508 4.077 50 0 IIAARN CCS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 ZINC000011544121 557162635 /nfs/dbraw/zinc/16/26/35/557162635.db2.gz PSAGEWCEXYPNDR-UHFFFAOYSA-N 0 0 438.509 4.318 50 0 IIAARN C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000011542925 557162678 /nfs/dbraw/zinc/16/26/78/557162678.db2.gz WHAFIERJCNINCM-JTQLQIEISA-N 0 0 427.361 4.034 50 0 IIAARN COc1cc(COC(=O)c2ccccc2SCC(=O)NC2CC2)ccc1OC(F)F ZINC000024758670 557163884 /nfs/dbraw/zinc/16/38/84/557163884.db2.gz RFGCWEPUWJSBKS-UHFFFAOYSA-N 0 0 437.464 4.024 50 0 IIAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(-c2cccs2)cc1 ZINC000206799638 557164125 /nfs/dbraw/zinc/16/41/25/557164125.db2.gz RFWGISRPVFWYLR-MJGOQNOKSA-N 0 0 425.481 4.389 50 0 IIAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)OCCN3C(=O)NC(C)(C)C3=O)cc2)cc1 ZINC000024761083 557164308 /nfs/dbraw/zinc/16/43/08/557164308.db2.gz IPPRHYPBTFCMFD-UHFFFAOYSA-N 0 0 438.524 4.050 50 0 IIAARN Cc1cccn2cc(-c3ccccc3NC(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)nc12 ZINC000206901996 557165757 /nfs/dbraw/zinc/16/57/57/557165757.db2.gz PCMWLPSKRJRHDJ-QGZVFWFLSA-N 0 0 445.548 4.159 50 0 IIAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000024771570 557165936 /nfs/dbraw/zinc/16/59/36/557165936.db2.gz NMQFFMHRDCBMBC-HNNXBMFYSA-N 0 0 443.512 4.257 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000024821211 557169108 /nfs/dbraw/zinc/16/91/08/557169108.db2.gz XURJUHAJSKKGPG-IRXDYDNUSA-N 0 0 440.931 4.063 50 0 IIAARN COc1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc(OC)c1Br ZINC000024828732 557169821 /nfs/dbraw/zinc/16/98/21/557169821.db2.gz MNTFVUQIICMYAR-UHFFFAOYSA-N 0 0 430.302 4.272 50 0 IIAARN CCOc1cccc(COC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC(F)F ZINC000024831865 557170690 /nfs/dbraw/zinc/17/06/90/557170690.db2.gz WTLPEZBWXGQTSW-UHFFFAOYSA-N 0 0 434.391 4.224 50 0 IIAARN Cc1ccc(OCc2ccc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)o2)cc1 ZINC000024834709 557171663 /nfs/dbraw/zinc/17/16/63/557171663.db2.gz QPEQDSHKNGMCSX-CALCHBBNSA-N 0 0 441.553 4.485 50 0 IIAARN CCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nnc1-c1cc2ccccc2o1 ZINC000008784759 557173886 /nfs/dbraw/zinc/17/38/86/557173886.db2.gz XYFLUMNNIIMHIC-UHFFFAOYSA-N 0 0 428.543 4.417 50 0 IIAARN O=C(CSc1nncn1Cc1ccco1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000024895862 557177372 /nfs/dbraw/zinc/17/73/72/557177372.db2.gz GBWUBXJPQACTLH-LJQANCHMSA-N 0 0 442.591 4.309 50 0 IIAARN Cc1noc(C(C)C)c1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920672 557178801 /nfs/dbraw/zinc/17/88/01/557178801.db2.gz MZXCQKOHHBGDMR-UHFFFAOYSA-N 0 0 428.533 4.327 50 0 IIAARN CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009095838 557181830 /nfs/dbraw/zinc/18/18/30/557181830.db2.gz ZENZIRPDAMMTKZ-UHFFFAOYSA-N 0 0 444.507 4.117 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000024973878 557184280 /nfs/dbraw/zinc/18/42/80/557184280.db2.gz HSFZQOGVNMVYCQ-KRWDZBQOSA-N 0 0 445.995 4.028 50 0 IIAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C ZINC000009263288 557184684 /nfs/dbraw/zinc/18/46/84/557184684.db2.gz VWKWZKGIFJFQFQ-UHFFFAOYSA-N 0 0 448.495 4.110 50 0 IIAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccs1 ZINC000100821746 557188307 /nfs/dbraw/zinc/18/83/07/557188307.db2.gz CDTJVVHHQNYUOW-MRXNPFEDSA-N 0 0 425.535 4.128 50 0 IIAARN COc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000025024942 557189671 /nfs/dbraw/zinc/18/96/71/557189671.db2.gz LIKMATCJGAPYNB-QHCPKHFHSA-N 0 0 444.560 4.457 50 0 IIAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccccc1O ZINC000009582926 557190545 /nfs/dbraw/zinc/19/05/45/557190545.db2.gz UOYCNISKFFJOQW-UHFFFAOYSA-N 0 0 438.553 4.192 50 0 IIAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000025057355 557192437 /nfs/dbraw/zinc/19/24/37/557192437.db2.gz MIHOXZCAQZFHTA-UHFFFAOYSA-N 0 0 440.521 4.204 50 0 IIAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCN(C)c2nc3ccccc3nc21 ZINC000025092361 557195198 /nfs/dbraw/zinc/19/51/98/557195198.db2.gz MCRKIUOGDIBYNF-UHFFFAOYSA-N 0 0 449.511 4.209 50 0 IIAARN CCOC(=O)CSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 ZINC000000793624 557200654 /nfs/dbraw/zinc/20/06/54/557200654.db2.gz OCSNAXBPRGPBCQ-UHFFFAOYSA-N 0 0 448.342 4.264 50 0 IIAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000096562018 557203027 /nfs/dbraw/zinc/20/30/27/557203027.db2.gz VPDJBHYOCJXJRQ-VWLOTQADSA-N 0 0 449.595 4.095 50 0 IIAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)nc1-2 ZINC000000792537 557203607 /nfs/dbraw/zinc/20/36/07/557203607.db2.gz LQRDYBJFRNCAFR-UHFFFAOYSA-N 0 0 426.494 4.195 50 0 IIAARN O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000025321989 557203861 /nfs/dbraw/zinc/20/38/61/557203861.db2.gz ONYKRKVEXIEWNU-UHFFFAOYSA-N 0 0 431.561 4.126 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)NC2CCCCC2)c1 ZINC000025397462 557208003 /nfs/dbraw/zinc/20/80/03/557208003.db2.gz BLIDOFBKAHQUTQ-UHFFFAOYSA-N 0 0 431.558 4.365 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000011612758 557208964 /nfs/dbraw/zinc/20/89/64/557208964.db2.gz CFXNEHFANHQAQA-QGZVFWFLSA-N 0 0 436.961 4.229 50 0 IIAARN COc1cc(Nc2ccc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)nc(C)n1 ZINC000011613268 557209197 /nfs/dbraw/zinc/20/91/97/557209197.db2.gz VLARCQWOLGGVFG-UHFFFAOYSA-N 0 0 439.472 4.207 50 0 IIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)nn(-c2ccccc2)c1Cl)CC3 ZINC000025451680 557209991 /nfs/dbraw/zinc/20/99/91/557209991.db2.gz FMEPQWGDFKIQLS-UHFFFAOYSA-N 0 0 448.910 4.301 50 0 IIAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)CC3 ZINC000025452489 557210376 /nfs/dbraw/zinc/21/03/76/557210376.db2.gz MPUFTDNDHBLTPD-UHFFFAOYSA-N 0 0 426.900 4.350 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000000799071 557213596 /nfs/dbraw/zinc/21/35/96/557213596.db2.gz ABFDROKSZAYJRV-UHFFFAOYSA-N 0 0 426.398 4.354 50 0 IIAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025583606 557217323 /nfs/dbraw/zinc/21/73/23/557217323.db2.gz GPDGTDNZWKLQIW-LVXARBLLSA-N 0 0 444.487 4.465 50 0 IIAARN c1ccc(OCCSc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000025605689 557218352 /nfs/dbraw/zinc/21/83/52/557218352.db2.gz DVJXGBHUYDFNAY-UHFFFAOYSA-N 0 0 427.595 4.183 50 0 IIAARN Cc1cnc([C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C2CC2)s1 ZINC000072297323 557219729 /nfs/dbraw/zinc/21/97/29/557219729.db2.gz HPXOSQVNECTDKA-IBGZPJMESA-N 0 0 445.541 4.273 50 0 IIAARN CCOc1ccccc1C(=O)N[C@@H](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000032949295 557222060 /nfs/dbraw/zinc/22/20/60/557222060.db2.gz MCAYWYSTSSXYBW-FQEVSTJZSA-N 0 0 433.504 4.406 50 0 IIAARN CN(CC(=O)Nc1ccccc1Br)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000018019766 557222260 /nfs/dbraw/zinc/22/22/60/557222260.db2.gz DDLLOLIAUMQMJC-UHFFFAOYSA-N 0 0 430.129 4.396 50 0 IIAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)COc2cccc(C)c2)cc1 ZINC000032949302 557222312 /nfs/dbraw/zinc/22/23/12/557222312.db2.gz OYIFAQSRSYETCV-NRFANRHFSA-N 0 0 433.504 4.081 50 0 biogenic IIAARN Brc1ccc(C2=Nc3nnnn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000101070148 557225023 /nfs/dbraw/zinc/22/50/23/557225023.db2.gz AVNPUXBQGRRFKR-HNNXBMFYSA-N 0 0 433.107 4.254 50 0 IIAARN CCc1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000032949491 557226864 /nfs/dbraw/zinc/22/68/64/557226864.db2.gz UPYXVGYYRKJJQM-QHCPKHFHSA-N 0 0 426.582 4.310 50 0 IIAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025814479 557227399 /nfs/dbraw/zinc/22/73/99/557227399.db2.gz URDHGIYELRNOGM-LJQANCHMSA-N 0 0 446.528 4.324 50 0 IIAARN CC(C)Cc1ccc(CN2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 ZINC000014755838 557228121 /nfs/dbraw/zinc/22/81/21/557228121.db2.gz KEKMITCPGSCSQD-UHFFFAOYSA-N 0 0 430.596 4.390 50 0 IIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4ccccc4C)CC3)c12 ZINC000025859819 557228879 /nfs/dbraw/zinc/22/88/79/557228879.db2.gz RAIFNJGFAURKTI-UHFFFAOYSA-N 0 0 445.592 4.272 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2nc3ccccc3s2)cc1 ZINC000011612738 557230075 /nfs/dbraw/zinc/23/00/75/557230075.db2.gz SLQWSAMRDUSZTB-MRXNPFEDSA-N 0 0 429.567 4.177 50 0 IIAARN Cn1c(SCCn2c(=O)oc3ccccc32)nc2scc(-c3ccccc3)c2c1=O ZINC000026030613 557232614 /nfs/dbraw/zinc/23/26/14/557232614.db2.gz WZQOODWBRSZSQR-UHFFFAOYSA-N 0 0 435.530 4.362 50 0 IIAARN COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)ccc2c1 ZINC000018046902 557233302 /nfs/dbraw/zinc/23/33/02/557233302.db2.gz LFDWEMZAHBWKIV-BVZFJXPGSA-N 0 0 436.527 4.281 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(F)c(F)c3)n2)cc1F ZINC000098211469 557234868 /nfs/dbraw/zinc/23/48/68/557234868.db2.gz DNPHQAUIVYAMJO-UHFFFAOYSA-N 0 0 428.370 4.270 50 0 IIAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCOc4ccc(C)cc43)n2)cc1F ZINC000098211462 557234874 /nfs/dbraw/zinc/23/48/74/557234874.db2.gz LILSXIFFAKDOIU-UHFFFAOYSA-N 0 0 448.454 4.087 50 0 IIAARN CC(C)c1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccccc2n1 ZINC000026114181 557234953 /nfs/dbraw/zinc/23/49/53/557234953.db2.gz SGLRBFAUHSBUOE-UHFFFAOYSA-N 0 0 443.594 4.003 50 0 IIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)o1 ZINC000032950332 557235233 /nfs/dbraw/zinc/23/52/33/557235233.db2.gz HDPSNMJSCDPBNQ-UHFFFAOYSA-N 0 0 426.498 4.041 50 0 IIAARN O=c1c(S(=O)(=O)c2ccc(F)c(Cl)c2)cnc2sc3cc(Cl)ccc3n21 ZINC000098212020 557235508 /nfs/dbraw/zinc/23/55/08/557235508.db2.gz RHADJKWHJDKMGN-UHFFFAOYSA-N 0 0 429.281 4.188 50 0 IIAARN CCn1c(=O)c2sccc2nc1SC[C@H]1CSc2nnc(-c3ccccc3)n21 ZINC000026128993 557235698 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O=C(NCCc1cccs1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952119 557247486 /nfs/dbraw/zinc/24/74/86/557247486.db2.gz DCYZIONQFGWXOC-UHFFFAOYSA-N 0 0 447.545 4.082 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000026849345 557249736 /nfs/dbraw/zinc/24/97/36/557249736.db2.gz ZGSGYOLREAWWKD-UHFFFAOYSA-N 0 0 431.279 4.047 50 0 IIAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3cn(C)c4ccccc34)n2C)c(C)c1 ZINC000018201384 557251194 /nfs/dbraw/zinc/25/11/94/557251194.db2.gz OCPNLMMHQVQJBE-UHFFFAOYSA-N 0 0 447.564 4.080 50 0 IIAARN O=C(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCCc2ccccc21 ZINC000026926514 557251820 /nfs/dbraw/zinc/25/18/20/557251820.db2.gz MLMNKWVHBNKJDO-UHFFFAOYSA-N 0 0 443.547 4.153 50 0 IIAARN O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000026963460 557252853 /nfs/dbraw/zinc/25/28/53/557252853.db2.gz FEOLIAYWHFKWRI-CQSZACIVSA-N 0 0 437.552 4.060 50 0 IIAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c12 ZINC000027018607 557254568 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ZINC000032987252 557321680 /nfs/dbraw/zinc/32/16/80/557321680.db2.gz NPAVGIJJGGKDRI-CYBMUJFWSA-N 0 0 430.530 4.040 50 0 IIAARN O=C(NCCc1ccccc1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998827 557322227 /nfs/dbraw/zinc/32/22/27/557322227.db2.gz MAAHAJGLWBDFLU-UHFFFAOYSA-N 0 0 445.519 4.495 50 0 IIAARN COCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000102467688 557323548 /nfs/dbraw/zinc/32/35/48/557323548.db2.gz DGMJXGRAIQHZFE-SDXDJHTJSA-N 0 0 448.494 4.170 50 0 IIAARN Cc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000033126064 557324624 /nfs/dbraw/zinc/32/46/24/557324624.db2.gz CUPUQXJYGNBTLF-UHFFFAOYSA-N 0 0 429.586 4.224 50 0 IIAARN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1Cl ZINC000011669074 557327284 /nfs/dbraw/zinc/32/72/84/557327284.db2.gz QQGYKBMEJNYDGF-NRFANRHFSA-N 0 0 425.916 4.398 50 0 IIAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1 ZINC000033300899 557331068 /nfs/dbraw/zinc/33/10/68/557331068.db2.gz VPCPVMUJGUVTFV-UHFFFAOYSA-N 0 0 445.504 4.029 50 0 IIAARN C[C@@H](NC(=O)CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)c1ccc(F)cc1 ZINC000033282508 557331783 /nfs/dbraw/zinc/33/17/83/557331783.db2.gz BSORPVGAOOSQGZ-QGZVFWFLSA-N 0 0 446.530 4.217 50 0 IIAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836697 557336260 /nfs/dbraw/zinc/33/62/60/557336260.db2.gz UTKJWXRGGOIHSF-INIZCTEOSA-N 0 0 446.787 4.416 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000014387545 557336835 /nfs/dbraw/zinc/33/68/35/557336835.db2.gz VNWGOKGSNMXIJI-UHFFFAOYSA-N 0 0 441.325 4.290 50 0 IIAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc4c(c3)OCCO4)C(=O)C2)cc1 ZINC000102529512 557340523 /nfs/dbraw/zinc/34/05/23/557340523.db2.gz BJASNXBQNBGMOE-UHFFFAOYSA-N 0 0 441.487 4.262 50 0 IIAARN CC(=O)O[C@@H](C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1)c1ccccc1 ZINC000023332424 557344529 /nfs/dbraw/zinc/34/45/29/557344529.db2.gz AXNAAZGAEIAKFR-HXUWFJFHSA-N 0 0 441.434 4.025 50 0 IIAARN CC(C)(C)c1ccc(-c2ccnc(N3CCN(C(=O)c4ccc(Cl)nc4)CC3)n2)cc1 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ZINC000008598047 562954168 /nfs/dbraw/zinc/95/41/68/562954168.db2.gz HQCYFFDOUSAVDX-UHFFFAOYSA-N 0 0 426.498 4.372 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000008600223 562954986 /nfs/dbraw/zinc/95/49/86/562954986.db2.gz KOAGLOITUSVARB-UHFFFAOYSA-N 0 0 434.565 4.157 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccc(F)cc1 ZINC000008601100 562955196 /nfs/dbraw/zinc/95/51/96/562955196.db2.gz JFWWCWBQPLPEGL-QFIPXVFZSA-N 0 0 439.512 4.389 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008601253 562955246 /nfs/dbraw/zinc/95/52/46/562955246.db2.gz AEFPWPIZXSUOEU-UHFFFAOYSA-N 0 0 442.459 4.141 50 0 IIAARN COc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008601341 562955289 /nfs/dbraw/zinc/95/52/89/562955289.db2.gz HFEUSJBVQRIXNZ-FQEVSTJZSA-N 0 0 449.981 4.284 50 0 IIAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008606651 562957058 /nfs/dbraw/zinc/95/70/58/562957058.db2.gz URHWTNDSYYXVEK-XMMPIXPASA-N 0 0 426.476 4.321 50 0 IIAARN C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2nc1SCC(=O)N(C)c1ccccc1 ZINC000008609240 562957696 /nfs/dbraw/zinc/95/76/96/562957696.db2.gz FBTBTTVZGYELTR-GOSISDBHSA-N 0 0 436.581 4.192 50 0 IIAARN COc1ccc(Cc2nc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3o2)cc1 ZINC000008611507 562958626 /nfs/dbraw/zinc/95/86/26/562958626.db2.gz YJYLEECQXFKHOZ-UHFFFAOYSA-N 0 0 446.503 4.417 50 0 biogenic IIAARN CC(C)c1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611885 562958791 /nfs/dbraw/zinc/95/87/91/562958791.db2.gz GCLMHXLZYBALOM-NRFANRHFSA-N 0 0 443.540 4.454 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000008612290 562959149 /nfs/dbraw/zinc/95/91/49/562959149.db2.gz BYAGNCQBQKVKRT-UHFFFAOYSA-N 0 0 448.500 4.261 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ncccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000008619400 562959856 /nfs/dbraw/zinc/95/98/56/562959856.db2.gz GSYZEOUHDHNZAX-UHFFFAOYSA-N 0 0 436.899 4.105 50 0 IIAARN COc1ccc(CCNC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1OC ZINC000008654549 562960229 /nfs/dbraw/zinc/96/02/29/562960229.db2.gz TVVFVJUKZOPKMQ-UHFFFAOYSA-N 0 0 449.503 4.383 50 0 biogenic IIAARN CC1CCN(C(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2)CC1 ZINC000008673481 562961254 /nfs/dbraw/zinc/96/12/54/562961254.db2.gz JSILQDBNWFDCJY-UHFFFAOYSA-N 0 0 432.549 4.218 50 0 IIAARN N=c1c2c(ncn1CCN1CCOCC1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000008690162 562963119 /nfs/dbraw/zinc/96/31/19/562963119.db2.gz PIJBYDDOCXHZFH-HSZRJFAPSA-N 0 0 438.531 4.134 50 0 IIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000008690958 562963346 /nfs/dbraw/zinc/96/33/46/562963346.db2.gz GYDOEUQAVKHYAM-UHFFFAOYSA-N 0 0 446.315 4.359 50 0 aggregator IIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000008691151 562963375 /nfs/dbraw/zinc/96/33/75/562963375.db2.gz LJPGNXOIFNWKID-QEEYODRMSA-N 0 0 431.964 4.299 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000008692948 562963686 /nfs/dbraw/zinc/96/36/86/562963686.db2.gz GNQPUMLOPMZMFD-UHFFFAOYSA-N 0 0 426.991 4.491 50 0 IIAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCc4ccccn4)ccc23)cc1 ZINC000008790068 562964161 /nfs/dbraw/zinc/96/41/61/562964161.db2.gz UPVUIHYDECYHEG-KRWDZBQOSA-N 0 0 444.487 4.256 50 0 biogenic IIAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1C ZINC000008831416 562965033 /nfs/dbraw/zinc/96/50/33/562965033.db2.gz VZNGYXKROINIID-UHFFFAOYSA-N 0 0 443.503 4.216 50 0 IIAARN O=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1)Nc1ccccc1Br ZINC000009119873 562967391 /nfs/dbraw/zinc/96/73/91/562967391.db2.gz ZCHCJBVWAHRCKC-UHFFFAOYSA-N 0 0 431.261 4.462 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Br)s2)ccc1C ZINC000009127724 562967578 /nfs/dbraw/zinc/96/75/78/562967578.db2.gz MBRJIEUTTXTXEO-UHFFFAOYSA-N 0 0 431.377 4.102 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2oc1C(=O)N1CCCCCC1 ZINC000009673160 562975204 /nfs/dbraw/zinc/97/52/04/562975204.db2.gz QNVCPMXPXAEENP-IRXDYDNUSA-N 0 0 432.586 4.424 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2oc1C(=O)NCc1ccccc1 ZINC000009673171 562975235 /nfs/dbraw/zinc/97/52/35/562975235.db2.gz DNRXFINWYKFCPN-IAGOWNOFSA-N 0 0 440.565 4.338 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCOc1ccccc1 ZINC000009766021 562976728 /nfs/dbraw/zinc/97/67/28/562976728.db2.gz HFYAEGAVHCZRJO-UHFFFAOYSA-N 0 0 446.569 4.058 50 0 IIAARN CCc1ccc2nc(N(CCCn3ccnc3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 ZINC000010381573 562978695 /nfs/dbraw/zinc/97/86/95/562978695.db2.gz VDQWTUKWJINUGA-NRFANRHFSA-N 0 0 448.548 4.319 50 0 IIAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccc2N2CCOCC2)cc1C ZINC000011821070 562979498 /nfs/dbraw/zinc/97/94/98/562979498.db2.gz OKCHKKQKLKQCRN-HSZRJFAPSA-N 0 0 430.552 4.133 50 0 IIAARN Cc1noc(C)c1CSc1ccccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000013009330 562984030 /nfs/dbraw/zinc/98/40/30/562984030.db2.gz SOJOYFXEPSRJIN-UHFFFAOYSA-N 0 0 427.501 4.434 50 0 IIAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1 ZINC000013593697 562996573 /nfs/dbraw/zinc/99/65/73/562996573.db2.gz MFBQRMDAODKONI-KRWDZBQOSA-N 0 0 429.586 4.224 50 0 IIAARN CCOc1ccc(NC(=O)CCCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000015943045 563019882 /nfs/dbraw/zinc/01/98/82/563019882.db2.gz BZRWSBPFUSXQMN-UHFFFAOYSA-N 0 0 445.523 4.017 50 0 IIAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(COc2ccccc2)o1 ZINC000018948509 568629001 /nfs/dbraw/zinc/62/90/01/568629001.db2.gz GSOPBVIOAHAIEJ-UHFFFAOYSA-N 0 0 446.459 4.330 50 0 IIAARN C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000018995602 568631247 /nfs/dbraw/zinc/63/12/47/568631247.db2.gz XWZIEKPZEXKVBN-ZCZKMIILSA-N 0 0 448.563 4.381 50 0 IIAARN COc1cccc2c1CCc1c-2n[nH]c1C(=O)N[C@@H](c1nc2ccccc2n1C)C(C)C ZINC000248212957 568634199 /nfs/dbraw/zinc/63/41/99/568634199.db2.gz DZQHIZVTZGJGFD-OAQYLSRUSA-N 0 0 429.524 4.198 50 0 IIAARN Cc1csc(=O)n1CCOC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000019043085 568634604 /nfs/dbraw/zinc/63/46/04/568634604.db2.gz ZLFKSASSOOGXBF-UHFFFAOYSA-N 0 0 425.535 4.049 50 0 IIAARN Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1Br ZINC000000915477 568637010 /nfs/dbraw/zinc/63/70/10/568637010.db2.gz QORXWJZHFSSPBY-UHFFFAOYSA-N 0 0 443.370 4.316 50 0 IIAARN O=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccccc1Cl ZINC000015083767 568638836 /nfs/dbraw/zinc/63/88/36/568638836.db2.gz KQNWYUMYGFFBQX-MRCUWXFGSA-N 0 0 443.915 4.027 50 0 IIAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)c3ccc(C)cc3)c(=O)c2c1C ZINC000000937691 568638845 /nfs/dbraw/zinc/63/88/45/568638845.db2.gz BJHZPVIJKRQYNL-UHFFFAOYSA-N 0 0 447.516 4.219 50 0 IIAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2ccccc2C)n1 ZINC000025143919 568640396 /nfs/dbraw/zinc/64/03/96/568640396.db2.gz VPCRCJZOXXQIQH-UHFFFAOYSA-N 0 0 443.507 4.319 50 0 IIAARN CCOC(=O)c1sc(NC(=O)COc2c(C)ccc(C)c2C)c(C(=O)OCC)c1C ZINC000000951209 568645271 /nfs/dbraw/zinc/64/52/71/568645271.db2.gz JRINHVKNYJFKSO-UHFFFAOYSA-N 0 0 433.526 4.353 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c12 ZINC000000958415 568646302 /nfs/dbraw/zinc/64/63/02/568646302.db2.gz QQUJAZAXYATHAK-HNNXBMFYSA-N 0 0 427.526 4.148 50 0 IIAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000000990275 568648260 /nfs/dbraw/zinc/64/82/60/568648260.db2.gz OYDSDAWGCQHNSR-UHFFFAOYSA-N 0 0 448.393 4.391 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Cl)C1=O ZINC000001008439 568650779 /nfs/dbraw/zinc/65/07/79/568650779.db2.gz VNJVUZDMZOCQHA-WIWNTQSISA-N 0 0 427.906 4.125 50 0 IIAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000001042265 568654164 /nfs/dbraw/zinc/65/41/64/568654164.db2.gz WCMLLMXJBVPPBF-UHFFFAOYSA-N 0 0 426.338 4.483 50 0 IIAARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001070694 568655094 /nfs/dbraw/zinc/65/50/94/568655094.db2.gz QGLWOTAFDMAYHM-IBGZPJMESA-N 0 0 438.281 4.066 50 0 IIAARN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cc1 ZINC000001080287 568657051 /nfs/dbraw/zinc/65/70/51/568657051.db2.gz JNNUTACAAHTXBV-UHFFFAOYSA-N 0 0 444.384 4.342 50 0 IIAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 ZINC000001098820 568658933 /nfs/dbraw/zinc/65/89/33/568658933.db2.gz MVTNDCLNFUKQPG-QHCPKHFHSA-N 0 0 438.574 4.496 50 0 IIAARN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)N(C)C2=S)cc1 ZINC000001104137 568660441 /nfs/dbraw/zinc/66/04/41/568660441.db2.gz WDVDGHVCPNPAQQ-ATVHPVEESA-N 0 0 447.354 4.461 50 0 IIAARN CCOC(=O)c1c2cc(OC(=O)N3CCOCC3)ccc2oc1-c1ccc(OC)cc1 ZINC000001160443 568664249 /nfs/dbraw/zinc/66/42/49/568664249.db2.gz QJGDVQASFSWVEW-UHFFFAOYSA-N 0 0 425.437 4.116 50 0 IIAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000015186439 568732083 /nfs/dbraw/zinc/73/20/83/568732083.db2.gz XVWFPYCZODUEAO-UHFFFAOYSA-N 0 0 426.403 4.451 50 0 IIAARN Cc1nc(C(=O)Nc2ccccc2OC(F)(F)F)nn1-c1ccc(OC(F)F)cc1 ZINC000261490532 568734161 /nfs/dbraw/zinc/73/41/61/568734161.db2.gz DYSYOFYOWGZKJW-UHFFFAOYSA-N 0 0 428.317 4.328 50 0 IIAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000001199831 568736793 /nfs/dbraw/zinc/73/67/93/568736793.db2.gz UBLSUGNDNBMZRJ-SECBINFHSA-N 0 0 445.324 4.045 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1ccc(-n2cccn2)cc1 ZINC000025607339 568737285 /nfs/dbraw/zinc/73/72/85/568737285.db2.gz BOGDJHXJGCVFGG-UHFFFAOYSA-N 0 0 440.569 4.058 50 0 IIAARN O=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263640144 568737385 /nfs/dbraw/zinc/73/73/85/568737385.db2.gz ZDAYPZOXXVBRLL-UHFFFAOYSA-N 0 0 433.261 4.439 50 0 IIAARN COc1ccccc1CN1C[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1=O ZINC000034917389 568739477 /nfs/dbraw/zinc/73/94/77/568739477.db2.gz MDBYYXFSYXPPHQ-VWLOTQADSA-N 0 0 442.559 4.315 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000044006694 568745660 /nfs/dbraw/zinc/74/56/60/568745660.db2.gz SBYDSMGDOGXBEL-UHFFFAOYSA-N 0 0 439.314 4.180 50 0 IIAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 ZINC000044004882 568745688 /nfs/dbraw/zinc/74/56/88/568745688.db2.gz WJMFJRQDSLWPCA-UHFFFAOYSA-N 0 0 427.570 4.238 50 0 IIAARN CCOc1ccccc1Nc1nnc(SCC(=O)N2CCc3ccccc3C2)s1 ZINC000003323330 568746037 /nfs/dbraw/zinc/74/60/37/568746037.db2.gz LXPUCZGYOZEHNP-UHFFFAOYSA-N 0 0 426.567 4.357 50 0 IIAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003332028 568746233 /nfs/dbraw/zinc/74/62/33/568746233.db2.gz FJLINOHAZUJJQI-UHFFFAOYSA-N 0 0 442.471 4.154 50 0 IIAARN CC(C)(CO)NC(=O)Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000044034804 568746267 /nfs/dbraw/zinc/74/62/67/568746267.db2.gz LMMXEEOYNQQLHZ-UHFFFAOYSA-N 0 0 428.960 4.220 50 0 IIAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000003345255 568746537 /nfs/dbraw/zinc/74/65/37/568746537.db2.gz SLNHEQIGNHBQAU-SFHVURJKSA-N 0 0 426.687 4.053 50 0 IIAARN O=S(=O)(Nc1ccc(Nc2ncnc3sccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000003418620 568748685 /nfs/dbraw/zinc/74/86/85/568748685.db2.gz MIJFBSILJGURQK-UHFFFAOYSA-N 0 0 440.506 4.007 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1CCc1ccc(F)cc1 ZINC000003411755 568748698 /nfs/dbraw/zinc/74/86/98/568748698.db2.gz IYBHNKPZSCZWDJ-UHFFFAOYSA-N 0 0 439.531 4.170 50 0 IIAARN CSc1ccccc1NC(=O)COC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003413959 568748732 /nfs/dbraw/zinc/74/87/32/568748732.db2.gz ULXIDBNFNZGGEA-UHFFFAOYSA-N 0 0 428.554 4.008 50 0 IIAARN Cc1cc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)no1 ZINC000003429250 568748894 /nfs/dbraw/zinc/74/88/94/568748894.db2.gz GPVYVGDGRFUIOA-UHFFFAOYSA-N 0 0 430.873 4.141 50 0 IIAARN CC(C)c1ccc(/C=C/C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000334158329 568750902 /nfs/dbraw/zinc/75/09/02/568750902.db2.gz HCCJQFXKPDRSNJ-POOCUNTESA-N 0 0 449.576 4.107 50 0 IIAARN COc1ccc(NC(=O)[C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000003615283 568751542 /nfs/dbraw/zinc/75/15/42/568751542.db2.gz LYORNDAJZOORIK-DAWYCQNESA-N 0 0 444.487 4.242 50 0 IIAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)NCc4ccncc4)c3C3CC3)n2)c(C)s1 ZINC000299767370 568756456 /nfs/dbraw/zinc/75/64/56/568756456.db2.gz RDXORINWYKIXQM-UHFFFAOYSA-N 0 0 430.537 4.210 50 0 IIAARN Cc1cccn2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CCC3=O)nc12 ZINC000299794245 568757733 /nfs/dbraw/zinc/75/77/33/568757733.db2.gz JOQDSECLODBTCO-UHFFFAOYSA-N 0 0 438.531 4.184 50 0 IIAARN NC(=O)COc1cccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c1 ZINC000263585399 568759159 /nfs/dbraw/zinc/75/91/59/568759159.db2.gz IDGLWHMSVCHUKV-FQEVSTJZSA-N 0 0 425.488 4.028 50 0 biogenic IIAARN Cn1c2ccc([C@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)cc2n(C)c1=O ZINC000263586476 568759460 /nfs/dbraw/zinc/75/94/60/568759460.db2.gz UUETXZAELZAWKM-LJQANCHMSA-N 0 0 436.515 4.354 50 0 biogenic IIAARN COC(=O)c1cn(C[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc2c(=O)[nH]nc1-2 ZINC000263587151 568760271 /nfs/dbraw/zinc/76/02/71/568760271.db2.gz CSYXPVPTRXOGPH-QGZVFWFLSA-N 0 0 446.894 4.430 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000263588093 568760807 /nfs/dbraw/zinc/76/08/07/568760807.db2.gz OZPRHGYRMFNCQZ-HSZRJFAPSA-N 0 0 446.551 4.307 50 0 IIAARN COCCn1ccc2c1cccc2OCC(=O)N[C@@H]1CCCc2c3cc(OC)ccc3[nH]c21 ZINC000263587993 568760816 /nfs/dbraw/zinc/76/08/16/568760816.db2.gz NURMBFUHIOWEFK-JOCHJYFZSA-N 0 0 447.535 4.350 50 0 IIAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000015391021 568761385 /nfs/dbraw/zinc/76/13/85/568761385.db2.gz AERMSXNCTVACJX-HNNXBMFYSA-N 0 0 428.888 4.190 50 0 IIAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000015391022 568761436 /nfs/dbraw/zinc/76/14/36/568761436.db2.gz AERMSXNCTVACJX-OAHLLOKOSA-N 0 0 428.888 4.190 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000015423102 568761949 /nfs/dbraw/zinc/76/19/49/568761949.db2.gz DGYNDWXHHAVPPJ-UHFFFAOYSA-N 0 0 427.482 4.127 50 0 IIAARN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000025652627 568762340 /nfs/dbraw/zinc/76/23/40/568762340.db2.gz DBLYMHNCYIXVIL-HXUWFJFHSA-N 0 0 436.533 4.296 50 0 IIAARN COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)cc2c1 ZINC000001240245 568774550 /nfs/dbraw/zinc/77/45/50/568774550.db2.gz IVQPKXBRQSUMII-FQEVSTJZSA-N 0 0 429.929 4.316 50 0 IIAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001247577 568774909 /nfs/dbraw/zinc/77/49/09/568774909.db2.gz XAHBXIDKGHOCPJ-INIZCTEOSA-N 0 0 440.594 4.363 50 0 IIAARN NC(=O)COc1cccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000025793050 568780414 /nfs/dbraw/zinc/78/04/14/568780414.db2.gz CIXREDDZWOSDON-UHFFFAOYSA-N 0 0 428.847 4.175 50 0 IIAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000002501345 568782765 /nfs/dbraw/zinc/78/27/65/568782765.db2.gz NATHGFUAEYPICD-INIZCTEOSA-N 0 0 432.336 4.033 50 0 IIAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1Cl ZINC000019173993 568782767 /nfs/dbraw/zinc/78/27/67/568782767.db2.gz WCYVRWLSAVHUMW-UHFFFAOYSA-N 0 0 436.942 4.141 50 0 IIAARN CCn1c2ccccc2c2nnc(SCc3noc([C@H]4COc5ccccc5O4)n3)nc21 ZINC000083840100 568782810 /nfs/dbraw/zinc/78/28/10/568782810.db2.gz GWRFAFPGIUFNDK-QGZVFWFLSA-N 0 0 446.492 4.187 50 0 IIAARN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)c1 ZINC000004163781 568783008 /nfs/dbraw/zinc/78/30/08/568783008.db2.gz KEDSXGLPKWXBSX-IBGZPJMESA-N 0 0 426.822 4.223 50 0 IIAARN CC(C)C[C@H](C(=O)Nc1ccc(I)cc1)N1Cc2ccccc2C1=O ZINC000001383769 568784088 /nfs/dbraw/zinc/78/40/88/568784088.db2.gz ZSDRRDIBASFQBF-GOSISDBHSA-N 0 0 448.304 4.300 50 0 IIAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025834544 568784582 /nfs/dbraw/zinc/78/45/82/568784582.db2.gz LSUUTRVXMXQPRS-SFHVURJKSA-N 0 0 440.547 4.170 50 0 IIAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnn3-c3cc(Cl)ccc3Cl)C(=O)N1CC2 ZINC000001393585 568785463 /nfs/dbraw/zinc/78/54/63/568785463.db2.gz UNLXDXQWPJUZNZ-QGZVFWFLSA-N 0 0 444.318 4.492 50 0 IIAARN O=C1c2cnc3nc(SCc4ccccc4Cl)nn3c2C[C@H]2c3ccccc3CCN12 ZINC000001396880 568786084 /nfs/dbraw/zinc/78/60/84/568786084.db2.gz SLLOITFLIZTCJU-IBGZPJMESA-N 0 0 447.951 4.366 50 0 IIAARN Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc(CS(=O)(=O)NCC(C)C)c3)cc12 ZINC000223230441 568786324 /nfs/dbraw/zinc/78/63/24/568786324.db2.gz MGVIOVGVVAWUKC-UHFFFAOYSA-N 0 0 427.570 4.123 50 0 IIAARN CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)c1C ZINC000001406524 568787012 /nfs/dbraw/zinc/78/70/12/568787012.db2.gz RJIOUAVSUISRBG-UHFFFAOYSA-N 0 0 432.402 4.332 50 0 IIAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1c(Cl)cc(Cl)cc1Cl ZINC000015481548 568788605 /nfs/dbraw/zinc/78/86/05/568788605.db2.gz SLVSKDRPTDTOMR-UHFFFAOYSA-N 0 0 425.655 4.284 50 0 IIAARN Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(OCc2ccccc2)c1 ZINC000084146348 568794794 /nfs/dbraw/zinc/79/47/94/568794794.db2.gz ILXYKQMBAZLYTG-RRPUWOKSSA-N 0 0 439.581 4.238 50 0 IIAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000084240772 568796518 /nfs/dbraw/zinc/79/65/18/568796518.db2.gz OZMHOBKRKOQRIF-OALUTQOASA-N 0 0 440.565 4.187 50 0 IIAARN CC(C)(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000084370326 568797576 /nfs/dbraw/zinc/79/75/76/568797576.db2.gz OGJHRSLXCQXNIL-ZOBUZTSGSA-N 0 0 430.401 4.071 50 0 IIAARN O=C(Nc1ccccc1F)C(=Cc1cc(-c2cccnc2)n[nH]1)C(=O)Nc1ccccc1F ZINC000084506018 568798362 /nfs/dbraw/zinc/79/83/62/568798362.db2.gz XYMKLAYOEOTKAU-UHFFFAOYSA-N 0 0 445.429 4.411 50 0 IIAARN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(C2SCCS2)cc1 ZINC000015638753 568800656 /nfs/dbraw/zinc/80/06/56/568800656.db2.gz YNWDDXMBIRMLJH-QGZVFWFLSA-N 0 0 428.579 4.326 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)cc3C)n2)c1 ZINC000015670459 568801994 /nfs/dbraw/zinc/80/19/94/568801994.db2.gz DLQVUHDCEDXZEF-FQEVSTJZSA-N 0 0 440.507 4.132 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000015670638 568802603 /nfs/dbraw/zinc/80/26/03/568802603.db2.gz KQAHFNUBVCRQLF-KRWDZBQOSA-N 0 0 434.862 4.299 50 0 IIAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678227 568804747 /nfs/dbraw/zinc/80/47/47/568804747.db2.gz NTKWMAZINDQYCV-RUZDIDTESA-N 0 0 441.572 4.228 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1cccnc1 ZINC000015678072 568805018 /nfs/dbraw/zinc/80/50/18/568805018.db2.gz QUVVAOOOLFOIFB-SANMLTNESA-N 0 0 445.567 4.075 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCc3sccc3[C@H]1c1ccccc1)OCO2 ZINC000012809444 568813852 /nfs/dbraw/zinc/81/38/52/568813852.db2.gz YDGGJNJXMCPJNC-XMMPIXPASA-N 0 0 434.517 4.266 50 0 IIAARN CCOc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733412 568815826 /nfs/dbraw/zinc/81/58/26/568815826.db2.gz WKROWRGWABKXPK-UHFFFAOYSA-N 0 0 429.476 4.498 50 0 IIAARN CCn1c2cc(NC(=O)Nc3ccccc3OC)c(N3CCCCC3)cc2n(CC)c1=O ZINC000015734360 568816327 /nfs/dbraw/zinc/81/63/27/568816327.db2.gz PNPNGWZVCGUSTE-UHFFFAOYSA-N 0 0 437.544 4.486 50 0 IIAARN COc1ccccc1-n1nnnc1SCCCC(=O)c1ccc(Br)cc1 ZINC000012812379 568819000 /nfs/dbraw/zinc/81/90/00/568819000.db2.gz CCFOSXBHYSANCU-UHFFFAOYSA-N 0 0 433.331 4.189 50 0 IIAARN COc1ccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1OC ZINC000015769801 568822173 /nfs/dbraw/zinc/82/21/73/568822173.db2.gz KXZRCEYJHWGSCA-UHFFFAOYSA-N 0 0 427.551 4.334 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000015781733 568826132 /nfs/dbraw/zinc/82/61/32/568826132.db2.gz RTYIXHCHGBHWJF-IBGZPJMESA-N 0 0 430.476 4.318 50 0 IIAARN Cc1ccc2nc(NC(=O)[C@H]3CCC(=O)N3Cc3ccc(OC(F)F)cc3)sc2c1 ZINC000223419244 568826568 /nfs/dbraw/zinc/82/65/68/568826568.db2.gz QWIZNYCKVNGHLL-MRXNPFEDSA-N 0 0 431.464 4.336 50 0 IIAARN CCCCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)ccc2c1=O ZINC000085601932 568827208 /nfs/dbraw/zinc/82/72/08/568827208.db2.gz FZNZUUMSBYIZOK-UHFFFAOYSA-N 0 0 430.386 4.226 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000085644579 568829507 /nfs/dbraw/zinc/82/95/07/568829507.db2.gz PBCPVAHMNXVCDW-UHFFFAOYSA-N 0 0 427.507 4.299 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccccc2C)c1C ZINC000085712500 568835518 /nfs/dbraw/zinc/83/55/18/568835518.db2.gz MSQFDQKVWBXJCQ-UHFFFAOYSA-N 0 0 430.526 4.101 50 0 IIAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2Cl)OC1=O ZINC000001510098 568836141 /nfs/dbraw/zinc/83/61/41/568836141.db2.gz UJACAVCHJYZAGW-AUWJEWJLSA-N 0 0 437.633 4.364 50 0 IIAARN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104917101 568839142 /nfs/dbraw/zinc/83/91/42/568839142.db2.gz ZUOBWAOGHHKPIR-RBBKRZOGSA-N 0 0 429.486 4.099 50 0 IIAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)NCc1ccccc1Cl ZINC000015823871 568840150 /nfs/dbraw/zinc/84/01/50/568840150.db2.gz LMNDUBXFZPWKPD-UHFFFAOYSA-N 0 0 449.985 4.496 50 0 IIAARN COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2ccccc2)cc1=O ZINC000015824559 568840344 /nfs/dbraw/zinc/84/03/44/568840344.db2.gz VQGBATVMAKOPQM-UHFFFAOYSA-N 0 0 428.941 4.119 50 0 IIAARN COc1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1OC ZINC000015827141 568840858 /nfs/dbraw/zinc/84/08/58/568840858.db2.gz USXQAKYQFAQKOO-UHFFFAOYSA-N 0 0 442.468 4.178 50 0 IIAARN CC(C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000012868125 568841597 /nfs/dbraw/zinc/84/15/97/568841597.db2.gz IANHGIDUTVUHJA-UHFFFAOYSA-N 0 0 429.325 4.244 50 0 IIAARN CN(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000006135820 568845019 /nfs/dbraw/zinc/84/50/19/568845019.db2.gz VOKBJVVHJHFYNQ-UHFFFAOYSA-N 0 0 438.944 4.266 50 0 IIAARN COc1cc(Cn2c3ccccc3nc2-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000006136333 568845183 /nfs/dbraw/zinc/84/51/83/568845183.db2.gz ONKLEDLPSDQRHG-UHFFFAOYSA-N 0 0 436.464 4.197 50 0 IIAARN Cc1c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cnn1-c1cccc(C)c1 ZINC000026113731 568849779 /nfs/dbraw/zinc/84/97/79/568849779.db2.gz FHHVUIAMDZYOHG-UHFFFAOYSA-N 0 0 428.536 4.186 50 0 IIAARN COc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(Br)cc3)o2)cc1 ZINC000015868152 568851056 /nfs/dbraw/zinc/85/10/56/568851056.db2.gz OVYRHHBYIFQSAN-UHFFFAOYSA-N 0 0 429.270 4.233 50 0 IIAARN COc1cc(CNC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)cc(OC)c1OC ZINC000015869960 568851392 /nfs/dbraw/zinc/85/13/92/568851392.db2.gz BGMUGMFGUCVCJP-UHFFFAOYSA-N 0 0 428.510 4.074 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc4c(ccc(Cl)c4C)s3)CC2)c1 ZINC000015882468 568856629 /nfs/dbraw/zinc/85/66/29/568856629.db2.gz BYDVXIGDDDELSQ-UHFFFAOYSA-N 0 0 431.945 4.238 50 0 IIAARN COc1ccc(-c2ccc(OCCNC(=O)C(c3ccccc3)c3ccccc3)nn2)cc1 ZINC000015884399 568858090 /nfs/dbraw/zinc/85/80/90/568858090.db2.gz SVBMNSRNXZTTFD-UHFFFAOYSA-N 0 0 439.515 4.479 50 0 IIAARN O=C(c1cccc(Br)c1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414548 568862302 /nfs/dbraw/zinc/86/23/02/568862302.db2.gz BDVLGJWVMQOYHI-KRWDZBQOSA-N 0 0 442.762 4.105 50 0 IIAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)cn2)c2ccccc21 ZINC000575444521 568869965 /nfs/dbraw/zinc/86/99/65/568869965.db2.gz RPMVEHFUUDCFHM-QGZVFWFLSA-N 0 0 428.920 4.301 50 0 IIAARN Cc1cc(N2CCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)nc(C(C)C)n1 ZINC000016103535 568870691 /nfs/dbraw/zinc/87/06/91/568870691.db2.gz RNPNFAGJVBTVER-UHFFFAOYSA-N 0 0 439.560 4.218 50 0 IIAARN COc1cc(OC)c(C2=CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)c(OC)c1 ZINC000012946509 568871356 /nfs/dbraw/zinc/87/13/56/568871356.db2.gz NDUGOMDFXAYJQC-UHFFFAOYSA-N 0 0 431.916 4.369 50 0 IIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1OCCOc1ccccc1 ZINC000012947345 568871411 /nfs/dbraw/zinc/87/14/11/568871411.db2.gz FOQZSPJADSLBFL-UHFFFAOYSA-N 0 0 443.503 4.043 50 0 IIAARN COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C ZINC000006190538 568874854 /nfs/dbraw/zinc/87/48/54/568874854.db2.gz ZZNNNHFKEXHCSP-UHFFFAOYSA-N 0 0 426.473 4.205 50 0 IIAARN CCOc1ccc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000006196329 568877107 /nfs/dbraw/zinc/87/71/07/568877107.db2.gz JBLBRODSQLKCSW-UHFFFAOYSA-N 0 0 429.567 4.134 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000016352094 568877498 /nfs/dbraw/zinc/87/74/98/568877498.db2.gz JQKMCRDYFYIWJW-FQEVSTJZSA-N 0 0 447.373 4.262 50 0 IIAARN COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000006250942 568880848 /nfs/dbraw/zinc/88/08/48/568880848.db2.gz SWCXXURFEZWSNN-GJZGRUSLSA-N 0 0 436.961 4.268 50 0 IIAARN COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)s2)cc1OC ZINC000063957366 568880857 /nfs/dbraw/zinc/88/08/57/568880857.db2.gz BWUZAZRVOBBKMR-UHFFFAOYSA-N 0 0 444.557 4.481 50 0 IIAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575617027 568881635 /nfs/dbraw/zinc/88/16/35/568881635.db2.gz MNQTVPGNSXOSPF-FQEVSTJZSA-N 0 0 437.499 4.105 50 0 IIAARN O=C(Nc1cc(OCc2ccc3c(c2)OCO3)ncn1)c1csc(-c2ccccc2)n1 ZINC000090593596 568888974 /nfs/dbraw/zinc/88/89/74/568888974.db2.gz KGKGQKMARLAPRR-UHFFFAOYSA-N 0 0 432.461 4.160 50 0 IIAARN CSc1nc2nc(C)c(CCC(=O)Nc3nc(-c4ccc(F)cc4)cs3)c(C)n2n1 ZINC000012980804 568893680 /nfs/dbraw/zinc/89/36/80/568893680.db2.gz DXBQSMCMPQGJGP-UHFFFAOYSA-N 0 0 442.545 4.297 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1 ZINC000012987438 568895031 /nfs/dbraw/zinc/89/50/31/568895031.db2.gz NVXGCQRTRXXFEZ-UHFFFAOYSA-N 0 0 434.926 4.310 50 0 IIAARN CCc1ccc(C(=O)CCC(=O)NCCN2C(=O)SC(=Cc3ccccc3)C2=O)cc1 ZINC000040160141 568896639 /nfs/dbraw/zinc/89/66/39/568896639.db2.gz VWNJPCVDJIAVEO-LTGZKZEYSA-N 0 0 436.533 4.065 50 0 IIAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000058160795 568897072 /nfs/dbraw/zinc/89/70/72/568897072.db2.gz RHSVBJJXCKNUMU-RMKNXTFCSA-N 0 0 431.536 4.342 50 0 IIAARN O=S(=O)(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1Br ZINC000090750076 568898325 /nfs/dbraw/zinc/89/83/25/568898325.db2.gz VVSOBYPMADYUGU-INIZCTEOSA-N 0 0 444.397 4.132 50 0 IIAARN COCCN(CCOC)C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(OC)cc1 ZINC000013003182 568898539 /nfs/dbraw/zinc/89/85/39/568898539.db2.gz AIFUVYBBITVSFG-UHFFFAOYSA-N 0 0 428.504 4.037 50 0 IIAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(Cc3ccc(C(F)(F)F)cc3)s1)CS2 ZINC000013001250 568898836 /nfs/dbraw/zinc/89/88/36/568898836.db2.gz QKIDOUJZTQEGAN-KDOFPFPSSA-N 0 0 441.500 4.145 50 0 IIAARN CN(Cc1ccsc1)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C ZINC000013014333 568901422 /nfs/dbraw/zinc/90/14/22/568901422.db2.gz GCAVWLFCVRSEPY-UHFFFAOYSA-N 0 0 441.603 4.474 50 0 IIAARN COc1ccc(Br)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 ZINC000013022200 568902292 /nfs/dbraw/zinc/90/22/92/568902292.db2.gz HVPUOXLKCJUIJR-UHFFFAOYSA-N 0 0 441.207 4.310 50 0 IIAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3C)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000001785639 568907312 /nfs/dbraw/zinc/90/73/12/568907312.db2.gz CIHRKHVLZAMLRL-UHFFFAOYSA-N 0 0 444.560 4.429 50 0 IIAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)N1CCCCC1 ZINC000006446863 568907499 /nfs/dbraw/zinc/90/74/99/568907499.db2.gz WVAJINTYIPWVBX-UHFFFAOYSA-N 0 0 446.580 4.033 50 0 IIAARN CC(C)C[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000240551650 568911843 /nfs/dbraw/zinc/91/18/43/568911843.db2.gz GVDMTWFWKTZFOW-FHNXUDQISA-N 0 0 426.601 4.073 50 0 IIAARN CC[C@H](C(=O)c1ccc(C)cc1)[C@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)OC ZINC000245235795 568913110 /nfs/dbraw/zinc/91/31/10/568913110.db2.gz NNCHOCPXJJOWSP-ZYSHUDEJSA-N 0 0 445.309 4.458 50 0 IIAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000006461715 568918329 /nfs/dbraw/zinc/91/83/29/568918329.db2.gz JZYFOKXVYLGQHR-LJQANCHMSA-N 0 0 443.866 4.015 50 0 IIAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Nc2ccccc2F)n1C1CC1 ZINC000064370078 568920004 /nfs/dbraw/zinc/92/00/04/568920004.db2.gz QPMGQHWDXGJJDD-UHFFFAOYSA-N 0 0 440.529 4.342 50 0 IIAARN C[C@H]1S[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(Cl)cc2)C1=O ZINC000016608098 568925448 /nfs/dbraw/zinc/92/54/48/568925448.db2.gz DMYXMGLSAGGQPH-MWTRTKDXSA-N 0 0 441.984 4.451 50 0 IIAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000008877835 568927357 /nfs/dbraw/zinc/92/73/57/568927357.db2.gz UAEUBFKKYOEIJK-QFIPXVFZSA-N 0 0 438.325 4.311 50 0 biogenic IIAARN COc1ccc(-c2cc(OCC(N)=O)c3cc(NC(=O)c4cccc(C)c4)ccc3n2)cc1 ZINC000064473479 568930516 /nfs/dbraw/zinc/93/05/16/568930516.db2.gz FVANXHRMNHIVKV-UHFFFAOYSA-N 0 0 441.487 4.335 50 0 IIAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064558464 568932356 /nfs/dbraw/zinc/93/23/56/568932356.db2.gz MZGWIKVIHGKYPJ-LJQANCHMSA-N 0 0 427.453 4.054 50 0 IIAARN Cc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1F ZINC000064565932 568932670 /nfs/dbraw/zinc/93/26/70/568932670.db2.gz JYKPIPXXZQKQTJ-UHFFFAOYSA-N 0 0 426.467 4.314 50 0 IIAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000064566126 568932779 /nfs/dbraw/zinc/93/27/79/568932779.db2.gz NKSPOEJSIMLOEB-UHFFFAOYSA-N 0 0 437.862 4.128 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)c1 ZINC000064566104 568932789 /nfs/dbraw/zinc/93/27/89/568932789.db2.gz WOXVGXLNQCEBEL-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN CCc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1 ZINC000064566167 568932968 /nfs/dbraw/zinc/93/29/68/568932968.db2.gz QHAODFURWFITRR-UHFFFAOYSA-N 0 0 431.471 4.037 50 0 IIAARN Cc1cc(C)c(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)c(C)c1 ZINC000064567206 568933334 /nfs/dbraw/zinc/93/33/34/568933334.db2.gz DSWCDOLMFIWEIP-UHFFFAOYSA-N 0 0 445.563 4.031 50 0 IIAARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@H](c2cccc(NC(=O)c3ccccc3)c2)O1 ZINC000064567868 568933674 /nfs/dbraw/zinc/93/36/74/568933674.db2.gz RCPZZQMINRMGTK-VWLOTQADSA-N 0 0 443.459 4.103 50 0 IIAARN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000006600932 568936395 /nfs/dbraw/zinc/93/63/95/568936395.db2.gz IGMZSIJOHVONSG-LJQANCHMSA-N 0 0 438.549 4.158 50 0 IIAARN Cc1c(Br)c2ccccc2n1CC(=O)NCc1nc(-c2ccccc2)no1 ZINC000089534449 568936470 /nfs/dbraw/zinc/93/64/70/568936470.db2.gz AMCUPXHZLYEHGP-UHFFFAOYSA-N 0 0 425.286 4.079 50 0 IIAARN CCOCCn1ccc2c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cccc2c1=O ZINC000016689951 568938467 /nfs/dbraw/zinc/93/84/67/568938467.db2.gz OSICNJVQRDXBDQ-UHFFFAOYSA-N 0 0 435.307 4.362 50 0 IIAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(C[C@@H]2CCCO2)CO4)cc1OC ZINC000054313638 568938767 /nfs/dbraw/zinc/93/87/67/568938767.db2.gz QORLBVBYILGDBV-KRWDZBQOSA-N 0 0 437.492 4.117 50 0 biogenic IIAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n(CC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000064604992 568939094 /nfs/dbraw/zinc/93/90/94/568939094.db2.gz CIEFNCQTZVUQQG-UHFFFAOYSA-N 0 0 440.503 4.223 50 0 IIAARN COc1ccccc1-n1nnc(C(=O)NCc2ccc(C(C)C)cc2)c1-c1ccccn1 ZINC000064611080 568940021 /nfs/dbraw/zinc/94/00/21/568940021.db2.gz BENJFUJCSCMWPF-UHFFFAOYSA-N 0 0 427.508 4.391 50 0 IIAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc5c(c4)OCCO5)c3)n2)cc1 ZINC000064610918 568940040 /nfs/dbraw/zinc/94/00/40/568940040.db2.gz UEDNBNKYOMJWFJ-UHFFFAOYSA-N 0 0 449.488 4.284 50 0 IIAARN COC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2cccc(Cl)c2)=N1 ZINC000002050492 568940738 /nfs/dbraw/zinc/94/07/38/568940738.db2.gz JCJCTWAKUSIFFV-HNNXBMFYSA-N 0 0 448.626 4.038 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000002063460 568941304 /nfs/dbraw/zinc/94/13/04/568941304.db2.gz ADSXXUCGOPYAOG-IERDGZPVSA-N 0 0 439.556 4.007 50 0 IIAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(OC)cc3)c2NC(C)(C)C)s1 ZINC000064703584 568944484 /nfs/dbraw/zinc/94/44/84/568944484.db2.gz SPCGYXXPCXNGDT-UHFFFAOYSA-N 0 0 444.605 4.029 50 0 IIAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000064710085 568944715 /nfs/dbraw/zinc/94/47/15/568944715.db2.gz YEXLTIUSADMCQQ-UHFFFAOYSA-N 0 0 433.537 4.113 50 0 IIAARN Cc1nc(SCc2ccc(C(=O)NCc3ccccc3)cc2)nc(N2CCOCC2)c1C ZINC000036064072 568944855 /nfs/dbraw/zinc/94/48/55/568944855.db2.gz VWAZSWQNFCRZQK-UHFFFAOYSA-N 0 0 448.592 4.152 50 0 IIAARN CCN(CC)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)N3CCOCC3)c2)n1 ZINC000036065165 568944898 /nfs/dbraw/zinc/94/48/98/568944898.db2.gz GUOBIXUPVMJBOR-UHFFFAOYSA-N 0 0 442.629 4.385 50 0 IIAARN CCNC(=O)c1coc(CN(Cc2ccc(C(C)C)cc2)Cc2ccc3c(c2)OCO3)n1 ZINC000036065854 568945108 /nfs/dbraw/zinc/94/51/08/568945108.db2.gz IXVNNLRWOMMBDH-UHFFFAOYSA-N 0 0 435.524 4.479 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036083552 568947207 /nfs/dbraw/zinc/94/72/07/568947207.db2.gz RLWUKKMCEALTTB-HXUWFJFHSA-N 0 0 430.501 4.140 50 0 IIAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1ccc(F)cc1 ZINC000064746951 568950303 /nfs/dbraw/zinc/95/03/03/568950303.db2.gz IQGMCZLZPQPDRM-UHFFFAOYSA-N 0 0 430.464 4.451 50 0 IIAARN Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4ccccc4Cl)ccc32)cc1 ZINC000064748014 568950523 /nfs/dbraw/zinc/95/05/23/568950523.db2.gz QCNIAZRSIYSCQH-UHFFFAOYSA-N 0 0 447.926 4.352 50 0 IIAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)NCc4ccccc4F)CC3=O)c2)cc1 ZINC000064754736 568951044 /nfs/dbraw/zinc/95/10/44/568951044.db2.gz SYZALVUQIJOSIA-HXUWFJFHSA-N 0 0 445.494 4.056 50 0 IIAARN CCN1c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2Sc2ncccc2C1=O ZINC000064759571 568952055 /nfs/dbraw/zinc/95/20/55/568952055.db2.gz HBYFIWXIBGNXBD-UHFFFAOYSA-N 0 0 433.533 4.080 50 0 IIAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)C)C2)cc1OC ZINC000006696190 568952685 /nfs/dbraw/zinc/95/26/85/568952685.db2.gz GAVLYRNYDZYQDU-FQEVSTJZSA-N 0 0 428.504 4.411 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)CCC4CCCC4)sc3C2)cc1 ZINC000064769010 568953260 /nfs/dbraw/zinc/95/32/60/568953260.db2.gz SCIWQTYLEXQYCC-UHFFFAOYSA-N 0 0 433.599 4.107 50 0 IIAARN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114603 568955227 /nfs/dbraw/zinc/95/52/27/568955227.db2.gz GEIGFDFBXZVUJV-UHFFFAOYSA-N 0 0 426.538 4.410 50 0 IIAARN CCc1ccc([C@@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064787576 568956270 /nfs/dbraw/zinc/95/62/70/568956270.db2.gz FYLSXDABBDYKJN-QHCPKHFHSA-N 0 0 449.938 4.041 50 0 IIAARN COc1ccccc1CNC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788023 568956459 /nfs/dbraw/zinc/95/64/59/568956459.db2.gz CMTUWYRUDSROBF-UHFFFAOYSA-N 0 0 425.897 4.015 50 0 IIAARN Cc1ccc2cc(-c3noc(CCC(=O)N[C@@H](C)c4ccc(Cl)cc4)n3)c(=O)[nH]c2c1 ZINC000064789917 568957112 /nfs/dbraw/zinc/95/71/12/568957112.db2.gz FZVYILQRAGPTSL-AWEZNQCLSA-N 0 0 436.899 4.350 50 0 IIAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(C)=O ZINC000036120605 568957345 /nfs/dbraw/zinc/95/73/45/568957345.db2.gz NMFSZXZUYQDQPJ-OXQOHEQNSA-N 0 0 432.561 4.287 50 0 IIAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120417 568957525 /nfs/dbraw/zinc/95/75/25/568957525.db2.gz NIMLGXHTRQKGRM-UZLBHIALSA-N 0 0 444.572 4.429 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C ZINC000036122644 568958196 /nfs/dbraw/zinc/95/81/96/568958196.db2.gz LGHJJWFGBJPOLE-FQEVSTJZSA-N 0 0 429.586 4.081 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121519 568958310 /nfs/dbraw/zinc/95/83/10/568958310.db2.gz RRTHOSMEQRXDJH-FQEVSTJZSA-N 0 0 432.561 4.287 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036122776 568958372 /nfs/dbraw/zinc/95/83/72/568958372.db2.gz KMTPTHKLFUAZKX-NRFANRHFSA-N 0 0 443.613 4.249 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)NC(C)(C)C ZINC000036123192 568958479 /nfs/dbraw/zinc/95/84/79/568958479.db2.gz HNWAQLQGEIUEFY-IBGZPJMESA-N 0 0 447.576 4.222 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)NC(C)C ZINC000036122857 568958524 /nfs/dbraw/zinc/95/85/24/568958524.db2.gz GUEDWRMRNKQURF-OAQYLSRUSA-N 0 0 443.613 4.391 50 0 IIAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)C ZINC000036123122 568958589 /nfs/dbraw/zinc/95/85/89/568958589.db2.gz ACEXUCJKBLBMOS-HXUWFJFHSA-N 0 0 447.576 4.220 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC(C)C ZINC000036123503 568958753 /nfs/dbraw/zinc/95/87/53/568958753.db2.gz LIDUNXVITOCBJK-HXUWFJFHSA-N 0 0 447.576 4.080 50 0 IIAARN Cc1cc(Nc2ccc(C(=O)NCc3ccccc3C)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791496 568958791 /nfs/dbraw/zinc/95/87/91/568958791.db2.gz REIZFODFNQKPHT-UHFFFAOYSA-N 0 0 449.518 4.477 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C ZINC000064793796 568959721 /nfs/dbraw/zinc/95/97/21/568959721.db2.gz SVSRKXSDQWIKCS-UHFFFAOYSA-N 0 0 444.973 4.367 50 0 IIAARN COCCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794344 568959944 /nfs/dbraw/zinc/95/99/44/568959944.db2.gz MBQIEZSOPDHCRK-UHFFFAOYSA-N 0 0 445.545 4.223 50 0 IIAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064798127 568960351 /nfs/dbraw/zinc/96/03/51/568960351.db2.gz AMMKUVJVLSPXEQ-INIZCTEOSA-N 0 0 429.519 4.072 50 0 IIAARN COc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1OC ZINC000064798337 568960395 /nfs/dbraw/zinc/96/03/95/568960395.db2.gz OOYTZBSDKDIZHJ-MRXNPFEDSA-N 0 0 443.546 4.381 50 0 IIAARN CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1OC ZINC000064797932 568960425 /nfs/dbraw/zinc/96/04/25/568960425.db2.gz SHNVRNNWLFHQOT-MRXNPFEDSA-N 0 0 443.546 4.462 50 0 IIAARN COCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006722967 568963315 /nfs/dbraw/zinc/96/33/15/568963315.db2.gz ZNQAUMIIYVXVNN-UHFFFAOYSA-N 0 0 429.536 4.052 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccc4c(c3)OCO4)c(=O)c21 ZINC000064817359 568964491 /nfs/dbraw/zinc/96/44/91/568964491.db2.gz BPIDBPWOYOMETK-UHFFFAOYSA-N 0 0 448.548 4.299 50 0 IIAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817450 568964526 /nfs/dbraw/zinc/96/45/26/568964526.db2.gz NYCOTGUHKWXIAQ-UHFFFAOYSA-N 0 0 438.528 4.410 50 0 IIAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064816251 568965082 /nfs/dbraw/zinc/96/50/82/568965082.db2.gz IKOOONSRNKHQJZ-RUZDIDTESA-N 0 0 432.524 4.238 50 0 IIAARN Cc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1cc(C)cc(C)c1)C2=O ZINC000064816433 568965273 /nfs/dbraw/zinc/96/52/73/568965273.db2.gz ZYWGEYAAHQPBBM-XMMPIXPASA-N 0 0 436.943 4.197 50 0 IIAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819354 568966192 /nfs/dbraw/zinc/96/61/92/568966192.db2.gz ZGVQPASCZCYCDU-UHFFFAOYSA-N 0 0 428.467 4.377 50 0 IIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2cccc(C)c2)c3=O)o1 ZINC000064819450 568966199 /nfs/dbraw/zinc/96/61/99/568966199.db2.gz ZNWQPIQUXSGLRI-UHFFFAOYSA-N 0 0 442.519 4.126 50 0 IIAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C)cc1 ZINC000036166005 568968620 /nfs/dbraw/zinc/96/86/20/568968620.db2.gz OFCOSZNMXNMTLC-DEOSSOPVSA-N 0 0 434.517 4.185 50 0 IIAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000064841645 568970395 /nfs/dbraw/zinc/97/03/95/568970395.db2.gz DQNCOAVJFBCADV-UHFFFAOYSA-N 0 0 431.945 4.132 50 0 IIAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000064841629 568970462 /nfs/dbraw/zinc/97/04/62/568970462.db2.gz NEQADEUZLBTHEX-UHFFFAOYSA-N 0 0 445.850 4.272 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)c2)c1C ZINC000064867082 568974815 /nfs/dbraw/zinc/97/48/15/568974815.db2.gz KMURFJKGZFVGRF-UHFFFAOYSA-N 0 0 446.956 4.400 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)c2)c1C ZINC000064867080 568974864 /nfs/dbraw/zinc/97/48/64/568974864.db2.gz HRNVEEHXEOLODV-UHFFFAOYSA-N 0 0 446.956 4.400 50 0 IIAARN COC(=O)CC1=CC(SCC(=O)N[C@@H](C)CCc2ccccc2)=Nc2ccccc2N1 ZINC000064869560 568976146 /nfs/dbraw/zinc/97/61/46/568976146.db2.gz OMJKHXRNNMLTEM-KRWDZBQOSA-N 0 0 437.565 4.460 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)NCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869784 568976539 /nfs/dbraw/zinc/97/65/39/568976539.db2.gz KQMWDXZJGHOJNI-UHFFFAOYSA-N 0 0 439.537 4.037 50 0 IIAARN CCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)CC(C)C)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219022 568977606 /nfs/dbraw/zinc/97/76/06/568977606.db2.gz OFARDTNOTQRVFA-XZOQPEGZSA-N 0 0 437.540 4.178 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1 ZINC000064873362 568978289 /nfs/dbraw/zinc/97/82/89/568978289.db2.gz FWUBZQAEEFNHNB-UHFFFAOYSA-N 0 0 445.450 4.212 50 0 IIAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000064888143 568979311 /nfs/dbraw/zinc/97/93/11/568979311.db2.gz AUCPAFQHMYLLMW-UHFFFAOYSA-N 0 0 425.476 4.232 50 0 IIAARN CCOc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000064888040 568979335 /nfs/dbraw/zinc/97/93/35/568979335.db2.gz DCNCGMMCDOXNFY-UHFFFAOYSA-N 0 0 435.549 4.389 50 0 IIAARN CC(=O)Nc1ccc(Cc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1 ZINC000064890480 568981312 /nfs/dbraw/zinc/98/13/12/568981312.db2.gz JRKHNVGMVCSFSX-UHFFFAOYSA-N 0 0 443.507 4.419 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3cccc4c3CCCC4)n2)cc1C ZINC000064891996 568982901 /nfs/dbraw/zinc/98/29/01/568982901.db2.gz RRRBFKNJQHQDQC-UHFFFAOYSA-N 0 0 444.535 4.020 50 0 IIAARN CCOc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924733 568986252 /nfs/dbraw/zinc/98/62/52/568986252.db2.gz IBOKWIVDYKOOJC-UHFFFAOYSA-N 0 0 448.571 4.239 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1OC ZINC000064929059 568987243 /nfs/dbraw/zinc/98/72/43/568987243.db2.gz YAGXKCQEFSVJFI-QGZVFWFLSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c(Cl)c1 ZINC000064928422 568987678 /nfs/dbraw/zinc/98/76/78/568987678.db2.gz ZITIYVDJZXFFHU-INIZCTEOSA-N 0 0 440.906 4.189 50 0 IIAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc2=O)cc1Cl ZINC000064928649 568987824 /nfs/dbraw/zinc/98/78/24/568987824.db2.gz FPAKGYOGBLAUEJ-SFHVURJKSA-N 0 0 442.991 4.250 50 0 IIAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000064928787 568987854 /nfs/dbraw/zinc/98/78/54/568987854.db2.gz UYQFQJAHMZKJGU-GOSISDBHSA-N 0 0 436.943 4.303 50 0 IIAARN COc1cccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000064930082 568988394 /nfs/dbraw/zinc/98/83/94/568988394.db2.gz LGGOGYJSQSIUJS-IBGZPJMESA-N 0 0 436.537 4.014 50 0 IIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930337 568988643 /nfs/dbraw/zinc/98/86/43/568988643.db2.gz FVWBCJPWHOFTEI-KRWDZBQOSA-N 0 0 441.488 4.307 50 0 IIAARN Cc1ccc(CNC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930407 568988920 /nfs/dbraw/zinc/98/89/20/568988920.db2.gz GFJHMYOGAFJBLY-SFHVURJKSA-N 0 0 439.516 4.285 50 0 IIAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677393 568989699 /nfs/dbraw/zinc/98/96/99/568989699.db2.gz FWRNLBSPUILKEK-AZGAKELHSA-N 0 0 445.538 4.018 50 0 IIAARN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000064942712 568992246 /nfs/dbraw/zinc/99/22/46/568992246.db2.gz UAJPLXKXAQCAKY-UHFFFAOYSA-N 0 0 445.338 4.492 50 0 IIAARN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169681858 568992526 /nfs/dbraw/zinc/99/25/26/568992526.db2.gz DNCJGNHLLXUBBT-GJZUVCINSA-N 0 0 429.539 4.052 50 0 IIAARN O=C(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)Nc1ccc(Cl)cc1 ZINC000064945162 568993459 /nfs/dbraw/zinc/99/34/59/568993459.db2.gz YFJLAMIQDDBIFW-UHFFFAOYSA-N 0 0 428.901 4.202 50 0 IIAARN CC(C)c1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310664 568996601 /nfs/dbraw/zinc/99/66/01/568996601.db2.gz CFYVMCXSPZOQGJ-QHCPKHFHSA-N 0 0 426.605 4.141 50 0 IIAARN Cc1ccc(NC(=O)N2CCN([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310796 568996901 /nfs/dbraw/zinc/99/69/01/568996901.db2.gz DNMYJZKMTWDWQR-NZQKXSOJSA-N 0 0 426.605 4.104 50 0 IIAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1OC ZINC000064963901 569000861 /nfs/dbraw/zinc/00/08/61/569000861.db2.gz HIMKSCAOXDITJM-FQEVSTJZSA-N 0 0 439.903 4.266 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000064971740 569076811 /nfs/dbraw/zinc/07/68/11/569076811.db2.gz RKMYYMDRVHKSIM-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccccc2Cl)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000064971738 569076851 /nfs/dbraw/zinc/07/68/51/569076851.db2.gz ROKGAEQJBKUBTP-UHFFFAOYSA-N 0 0 434.883 4.474 50 0 IIAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccccc5OC)cc4c3=O)c(C)o2)cc1 ZINC000064977347 569077022 /nfs/dbraw/zinc/07/70/22/569077022.db2.gz QFHIPJSNAFKWFR-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1 ZINC000064977004 569077368 /nfs/dbraw/zinc/07/73/68/569077368.db2.gz APVIZOITAVHOLS-UHFFFAOYSA-N 0 0 434.561 4.239 50 0 IIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cc(F)ccc2C)c(C)n3C)c1 ZINC000064977675 569077549 /nfs/dbraw/zinc/07/75/49/569077549.db2.gz KROTXPOKBONBFK-UHFFFAOYSA-N 0 0 448.498 4.036 50 0 IIAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c(OC)c1 ZINC000064979495 569077989 /nfs/dbraw/zinc/07/79/89/569077989.db2.gz JHBSQDLUQALDGD-UHFFFAOYSA-N 0 0 438.889 4.130 50 0 IIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)nnn5C4CCCC4)no3)CC2=O)cc1 ZINC000064980040 569078294 /nfs/dbraw/zinc/07/82/94/569078294.db2.gz UIETXDPSVHLGJE-QGZVFWFLSA-N 0 0 428.496 4.425 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3F)Oc3ccc(C)cc32)cc1 ZINC000064985875 569082099 /nfs/dbraw/zinc/08/20/99/569082099.db2.gz KLGRVKWUORHMPW-QFIPXVFZSA-N 0 0 440.496 4.038 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc2c(cc1N1CCC(C)CC1)Oc1ccccc1NC2=O ZINC000064986622 569082187 /nfs/dbraw/zinc/08/21/87/569082187.db2.gz IUDSKYZOOOKFEI-UHFFFAOYSA-N 0 0 443.569 4.311 50 0 IIAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C2CC2)c1 ZINC000064987143 569082569 /nfs/dbraw/zinc/08/25/69/569082569.db2.gz XTHJEVFBAYKXMV-UHFFFAOYSA-N 0 0 436.537 4.481 50 0 IIAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1c2ccccc2nc(N(CC)C(C)=O)c1=O ZINC000064987646 569082669 /nfs/dbraw/zinc/08/26/69/569082669.db2.gz DQBLLXYKYUEHGO-LJQANCHMSA-N 0 0 440.931 4.321 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3Br)o2)c1 ZINC000064987840 569082680 /nfs/dbraw/zinc/08/26/80/569082680.db2.gz NVPCIMJCSWXSLU-UHFFFAOYSA-N 0 0 436.331 4.197 50 0 IIAARN Cc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(NC(=O)C(C)C)cc43)CC2)c1C ZINC000036354184 569084035 /nfs/dbraw/zinc/08/40/35/569084035.db2.gz JVTNAKXXBQQJHM-DEOSSOPVSA-N 0 0 448.567 4.327 50 0 IIAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)N3CCc4ccccc4C3)c2C1 ZINC000065000217 569085899 /nfs/dbraw/zinc/08/58/99/569085899.db2.gz KACVSMMNYVRCRH-UHFFFAOYSA-N 0 0 444.506 4.330 50 0 IIAARN CCn1c(CN(C)C(=O)Nc2ccc(C)c(Cl)c2)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008237 569087351 /nfs/dbraw/zinc/08/73/51/569087351.db2.gz PIAAQYZTYKGYDB-UHFFFAOYSA-N 0 0 427.936 4.384 50 0 IIAARN CN(Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000065008116 569087395 /nfs/dbraw/zinc/08/73/95/569087395.db2.gz NHMYKZYXPAZXRD-UHFFFAOYSA-N 0 0 425.920 4.127 50 0 IIAARN Cc1c(Cl)cccc1S(=O)(=O)NCCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000065007238 569087622 /nfs/dbraw/zinc/08/76/22/569087622.db2.gz ZWNNBGMNEBGDTH-UHFFFAOYSA-N 0 0 438.952 4.008 50 0 IIAARN Cc1c(S(=O)(=O)NCc2ccco2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008824 569087919 /nfs/dbraw/zinc/08/79/19/569087919.db2.gz VMBXRSNZBSXNID-UHFFFAOYSA-N 0 0 431.514 4.335 50 0 IIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3ccco3)c2oc1C(=O)N1CCCCCC1 ZINC000065010931 569088122 /nfs/dbraw/zinc/08/81/22/569088122.db2.gz ZJQRNRXTDMQSCT-UHFFFAOYSA-N 0 0 444.553 4.446 50 0 IIAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3ccc(F)cc3)c2oc1C(=O)N1CCCC1 ZINC000065010511 569088275 /nfs/dbraw/zinc/08/82/75/569088275.db2.gz RGNQGMZRZRXUNK-UHFFFAOYSA-N 0 0 444.528 4.212 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)c(OC)c1 ZINC000065023366 569089251 /nfs/dbraw/zinc/08/92/51/569089251.db2.gz 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COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000169753683 569093765 /nfs/dbraw/zinc/09/37/65/569093765.db2.gz QQDOLDQWNGOVJU-HXUWFJFHSA-N 0 0 427.508 4.032 50 0 IIAARN Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1 ZINC000169758266 569094378 /nfs/dbraw/zinc/09/43/78/569094378.db2.gz BBMAYUIZDKSAPB-MRXNPFEDSA-N 0 0 442.248 4.168 50 0 IIAARN COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC(C)C)cc5)no4)c3CO2)cc1 ZINC000169758376 569094486 /nfs/dbraw/zinc/09/44/86/569094486.db2.gz COKUNOWZCXQDMS-HXUWFJFHSA-N 0 0 433.468 4.062 50 0 IIAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc(Br)cc3)C2)cc1 ZINC000065058161 569095428 /nfs/dbraw/zinc/09/54/28/569095428.db2.gz ZVCSLCMPZQMOEZ-JOCHJYFZSA-N 0 0 445.357 4.016 50 0 IIAARN O=C(NCC1CCCCC1)c1cccn(-c2ccc(NC(=O)c3ccccc3)cc2)c1=O ZINC000065062816 569097282 /nfs/dbraw/zinc/09/72/82/569097282.db2.gz AVQNUYHULHUMMH-UHFFFAOYSA-N 0 0 429.520 4.400 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)on2)cc1 ZINC000036394575 569098516 /nfs/dbraw/zinc/09/85/16/569098516.db2.gz OYECAQDSMKPJNN-UHFFFAOYSA-N 0 0 428.286 4.089 50 0 IIAARN O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccco1)C1CC1 ZINC000036397326 569099906 /nfs/dbraw/zinc/09/99/06/569099906.db2.gz RNUPVRXPZJMOCQ-UHFFFAOYSA-N 0 0 435.137 4.158 50 0 IIAARN Cc1cc(C)c(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077397 569100328 /nfs/dbraw/zinc/10/03/28/569100328.db2.gz LWLCSKAWKKDZNV-MRXNPFEDSA-N 0 0 446.594 4.237 50 0 IIAARN COc1ccc(CNC(=O)c2ncoc2-c2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000065080404 569101361 /nfs/dbraw/zinc/10/13/61/569101361.db2.gz WXZXJAJILDVPLQ-UHFFFAOYSA-N 0 0 433.508 4.296 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1F ZINC000169775354 569101806 /nfs/dbraw/zinc/10/18/06/569101806.db2.gz ZLOGYWPWSWJGQG-UHFFFAOYSA-N 0 0 430.483 4.123 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NCc2ccccc2C)CO3)cc1 ZINC000065082720 569102387 /nfs/dbraw/zinc/10/23/87/569102387.db2.gz WPDMGCCYWVMMSR-NRFANRHFSA-N 0 0 430.504 4.123 50 0 IIAARN O=C(Cc1cccc(Cl)c1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777576 569103034 /nfs/dbraw/zinc/10/30/34/569103034.db2.gz GNPHFGFIEWOYQU-UHFFFAOYSA-N 0 0 448.914 4.055 50 0 IIAARN Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4Cl)ccn3n2)c1 ZINC000169781055 569103158 /nfs/dbraw/zinc/10/31/58/569103158.db2.gz COJQHVHSDYCXTB-UHFFFAOYSA-N 0 0 438.890 4.002 50 0 IIAARN Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096419 569103547 /nfs/dbraw/zinc/10/35/47/569103547.db2.gz XMRJHTGWTVCCQH-UHFFFAOYSA-N 0 0 431.477 4.179 50 0 IIAARN CC(=O)Nc1cc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)ccc1C ZINC000065096676 569103671 /nfs/dbraw/zinc/10/36/71/569103671.db2.gz FXFXGQIDDGEAMK-VWLOTQADSA-N 0 0 441.531 4.404 50 0 IIAARN CCOc1c(C)cc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1C ZINC000207967579 569104221 /nfs/dbraw/zinc/10/42/21/569104221.db2.gz DNBVFERJDQEHQQ-IBGZPJMESA-N 0 0 437.608 4.385 50 0 IIAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3C)n2)cc1 ZINC000065099952 569104819 /nfs/dbraw/zinc/10/48/19/569104819.db2.gz BIWFHHZMKJEWTM-UHFFFAOYSA-N 0 0 440.916 4.225 50 0 IIAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)Nc4ccc(C)c(F)c4)n3C)n2)cc1 ZINC000065099919 569104825 /nfs/dbraw/zinc/10/48/25/569104825.db2.gz LPSHHSMUSFVOHO-UHFFFAOYSA-N 0 0 438.488 4.019 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C ZINC000065100066 569104982 /nfs/dbraw/zinc/10/49/82/569104982.db2.gz GNMDAMRMJCDBBL-UHFFFAOYSA-N 0 0 440.916 4.225 50 0 IIAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000065099316 569105064 /nfs/dbraw/zinc/10/50/64/569105064.db2.gz ZPQXYUBJXOIYFS-UHFFFAOYSA-N 0 0 438.601 4.215 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccc(C)cc3)n2C)cc1 ZINC000065099381 569105079 /nfs/dbraw/zinc/10/50/79/569105079.db2.gz FELMCHDEWFZJRE-UHFFFAOYSA-N 0 0 432.553 4.230 50 0 IIAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099464 569105169 /nfs/dbraw/zinc/10/51/69/569105169.db2.gz AAHUTPJWVOOTMQ-UHFFFAOYSA-N 0 0 436.516 4.235 50 0 IIAARN CC1CCN(c2nc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc32)CC1 ZINC000065102002 569106001 /nfs/dbraw/zinc/10/60/01/569106001.db2.gz UWQYPUODRUDWQB-UHFFFAOYSA-N 0 0 428.895 4.064 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3nccnc3Sc3ccccc3)CC2)cc1 ZINC000065102670 569106064 /nfs/dbraw/zinc/10/60/64/569106064.db2.gz ACHNMPZZGJIDPH-UHFFFAOYSA-N 0 0 447.564 4.441 50 0 IIAARN Cc1ccc(N2CCN(C(=O)CSc3nccnc3Oc3ccccc3C)CC2)cc1 ZINC000065111202 569106292 /nfs/dbraw/zinc/10/62/92/569106292.db2.gz PNOPHCUUDRCRGT-UHFFFAOYSA-N 0 0 434.565 4.327 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(OC)cc4C)CC3)n2)c1 ZINC000065111461 569106446 /nfs/dbraw/zinc/10/64/46/569106446.db2.gz YOBLUFOUEJLFIJ-UHFFFAOYSA-N 0 0 448.523 4.422 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1Cl ZINC000065111914 569107804 /nfs/dbraw/zinc/10/78/04/569107804.db2.gz NKIAKNBEJRAPFO-UHFFFAOYSA-N 0 0 447.944 4.275 50 0 IIAARN CCc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4cccc(C)c4)c3=O)n2)cc1 ZINC000065112786 569108347 /nfs/dbraw/zinc/10/83/47/569108347.db2.gz DZLRFJLRIQQXRU-UHFFFAOYSA-N 0 0 444.516 4.183 50 0 IIAARN CCc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4C)c3=O)n2)cc1 ZINC000065112796 569108357 /nfs/dbraw/zinc/10/83/57/569108357.db2.gz MIPOGLSYOHWXPK-UHFFFAOYSA-N 0 0 444.516 4.183 50 0 IIAARN CC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1 ZINC000065113427 569108440 /nfs/dbraw/zinc/10/84/40/569108440.db2.gz SSNPJOYJOANRHL-UHFFFAOYSA-N 0 0 426.476 4.041 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118226 569108888 /nfs/dbraw/zinc/10/88/88/569108888.db2.gz MRKHQHLRDPEMEZ-UHFFFAOYSA-N 0 0 438.919 4.325 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)cc2C)cc1 ZINC000006923413 569109552 /nfs/dbraw/zinc/10/95/52/569109552.db2.gz KVUSJIJJWHAQSK-TUNNFDKTSA-N 0 0 426.582 4.112 50 0 IIAARN CC(C)n1c2ccc(-c3noc([C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2oc1=O ZINC000065138299 569110696 /nfs/dbraw/zinc/11/06/96/569110696.db2.gz XUOYIQCKELYBLH-CQSZACIVSA-N 0 0 438.871 4.399 50 0 IIAARN COc1ccc(CC(=O)N2CCC[C@H](c3noc(-c4ccccc4OC)n3)C2)cc1Cl ZINC000065149526 569110988 /nfs/dbraw/zinc/11/09/88/569110988.db2.gz KGUUSVDEVYLFDK-INIZCTEOSA-N 0 0 441.915 4.356 50 0 IIAARN O=C(Cn1c(=O)cccc1-c1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)cc1F ZINC000065150311 569111056 /nfs/dbraw/zinc/11/10/56/569111056.db2.gz PKURTXNEBCEALO-UHFFFAOYSA-N 0 0 442.809 4.136 50 0 IIAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000036442653 569111144 /nfs/dbraw/zinc/11/11/44/569111144.db2.gz IPFSXYOYNZYGQB-UHFFFAOYSA-N 0 0 437.590 4.296 50 0 IIAARN Cc1cc(C)cc(Oc2nccn3c2nn(CC(=O)Nc2cccc(C(C)C)c2)c3=O)c1 ZINC000065150806 569111520 /nfs/dbraw/zinc/11/15/20/569111520.db2.gz HSVSMPYFXIKFGM-UHFFFAOYSA-N 0 0 431.496 4.062 50 0 IIAARN CC(C)Cn1cc(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c2cccnc21 ZINC000065163296 569112457 /nfs/dbraw/zinc/11/24/57/569112457.db2.gz ZKAPQIYIHRZDOI-UHFFFAOYSA-N 0 0 425.476 4.232 50 0 IIAARN O=S(=O)(Cc1cccc(Cl)c1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065169172 569112690 /nfs/dbraw/zinc/11/26/90/569112690.db2.gz CBJDWKBUHHPDRI-UHFFFAOYSA-N 0 0 434.348 4.339 50 0 IIAARN O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](c2nc(CCNC(=O)C3CC3)cs2)C1 ZINC000065173559 569113407 /nfs/dbraw/zinc/11/34/07/569113407.db2.gz DVXZGRMUCRWCGT-QZEKMECESA-N 0 0 444.000 4.285 50 0 IIAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1)N1CCCCC1 ZINC000065179745 569113477 /nfs/dbraw/zinc/11/34/77/569113477.db2.gz NNRCEFBQIZQGSH-UHFFFAOYSA-N 0 0 441.959 4.292 50 0 IIAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3cccc(Cl)c3)cccn12 ZINC000065185271 569114271 /nfs/dbraw/zinc/11/42/71/569114271.db2.gz PODUCICEHZMEDZ-UHFFFAOYSA-N 0 0 426.929 4.341 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3cccc(Cl)c3)cccn12 ZINC000065185325 569114289 /nfs/dbraw/zinc/11/42/89/569114289.db2.gz QVOWMVNYTWQLAL-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)cc1)N1CCCC1 ZINC000065178790 569114537 /nfs/dbraw/zinc/11/45/37/569114537.db2.gz XLIDMQFUCXDGPZ-KRWDZBQOSA-N 0 0 428.479 4.132 50 0 IIAARN CN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCCCCC3)o2)cc1 ZINC000065209248 569116073 /nfs/dbraw/zinc/11/60/73/569116073.db2.gz MKDZJYUMSLXDOC-JOCHJYFZSA-N 0 0 433.556 4.230 50 0 IIAARN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1ccc(Br)cc1 ZINC000065209523 569116235 /nfs/dbraw/zinc/11/62/35/569116235.db2.gz ZMYQKYOPNHSYRS-SFHVURJKSA-N 0 0 441.329 4.342 50 0 IIAARN COc1ccc(NC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)cc1 ZINC000065209868 569116565 /nfs/dbraw/zinc/11/65/65/569116565.db2.gz MGFJJKLDFAFRJV-UHFFFAOYSA-N 0 0 441.491 4.396 50 0 IIAARN Cc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2ccc(C)c(Cl)c2)s1 ZINC000065217316 569116998 /nfs/dbraw/zinc/11/69/98/569116998.db2.gz GVORRHIOCWODFQ-UHFFFAOYSA-N 0 0 432.958 4.207 50 0 IIAARN O=C(Cn1ccc2ccc(N3CCCCC3)nc21)NCc1ccccc1Br ZINC000065211940 569117160 /nfs/dbraw/zinc/11/71/60/569117160.db2.gz GXRONRYYXGBGRU-UHFFFAOYSA-N 0 0 427.346 4.106 50 0 IIAARN CCc1nn2c(CNS(=O)(=O)c3ccc(C)cc3C)c(-c3ccccc3)nc2s1 ZINC000065217429 569117176 /nfs/dbraw/zinc/11/71/76/569117176.db2.gz UDSNLMOCQUWGDG-UHFFFAOYSA-N 0 0 426.567 4.116 50 0 IIAARN COc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)c4ccc(C)cc4C)CC3)o2)cc1 ZINC000065229778 569118257 /nfs/dbraw/zinc/11/82/57/569118257.db2.gz FAOQKEDRDWDCNL-SFHVURJKSA-N 0 0 434.540 4.456 50 0 IIAARN COc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)c4ccc(C)cc4C)CC3)o2)cc1 ZINC000065229776 569118284 /nfs/dbraw/zinc/11/82/84/569118284.db2.gz FAOQKEDRDWDCNL-GOSISDBHSA-N 0 0 434.540 4.456 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3cccc(C)c3)cc2C1=O ZINC000065241629 569118814 /nfs/dbraw/zinc/11/88/14/569118814.db2.gz HPVKMNCJFGGLJQ-UHFFFAOYSA-N 0 0 437.521 4.031 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000065241605 569118830 /nfs/dbraw/zinc/11/88/30/569118830.db2.gz CIQYOLGBKJIGAX-UHFFFAOYSA-N 0 0 427.457 4.184 50 0 IIAARN O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)Nc1c(F)cccc1F ZINC000065232505 569119119 /nfs/dbraw/zinc/11/91/19/569119119.db2.gz AASKVTOCOJGAMS-UHFFFAOYSA-N 0 0 430.461 4.012 50 0 IIAARN Cc1c(C(=O)NCc2ccccc2Cl)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251499 569122042 /nfs/dbraw/zinc/12/20/42/569122042.db2.gz YWJLQINCEOGMKW-UHFFFAOYSA-N 0 0 434.887 4.087 50 0 IIAARN Cc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Br)c3)cn2)no1 ZINC000065250404 569122195 /nfs/dbraw/zinc/12/21/95/569122195.db2.gz INDYBIURJXMYKA-UHFFFAOYSA-N 0 0 438.285 4.310 50 0 IIAARN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036613439 569123815 /nfs/dbraw/zinc/12/38/15/569123815.db2.gz IXAGRGJPCMPGNK-HNNXBMFYSA-N 0 0 428.540 4.198 50 0 IIAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C3)cc1 ZINC000065260333 569124096 /nfs/dbraw/zinc/12/40/96/569124096.db2.gz XEDKKJDBPRBOGT-UHFFFAOYSA-N 0 0 444.413 4.055 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC2CCCC2)cc1F ZINC000065259965 569124834 /nfs/dbraw/zinc/12/48/34/569124834.db2.gz OBYAYIXKSMHDLV-VWLOTQADSA-N 0 0 436.531 4.497 50 0 biogenic IIAARN COc1ccc(CNC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065260148 569125038 /nfs/dbraw/zinc/12/50/38/569125038.db2.gz QGSXCLKXRBZVMI-RUZDIDTESA-N 0 0 435.572 4.283 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCO3)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731944 569126590 /nfs/dbraw/zinc/12/65/90/569126590.db2.gz QCMHPOPZIMWFCI-HSZRJFAPSA-N 0 0 443.503 4.226 50 0 biogenic IIAARN Cc1oc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)nc1C(=O)N1CCC(C)CC1 ZINC000065293819 569131062 /nfs/dbraw/zinc/13/10/62/569131062.db2.gz UHBDQVHIRYLAKO-UHFFFAOYSA-N 0 0 425.316 4.484 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)cc1 ZINC000065294011 569131151 /nfs/dbraw/zinc/13/11/51/569131151.db2.gz NYHYNUNTDXKWAC-INIZCTEOSA-N 0 0 449.580 4.421 50 0 IIAARN Cc1nc(Nc2ccc(Br)cn2)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000065306340 569133323 /nfs/dbraw/zinc/13/33/23/569133323.db2.gz ATXJUAJQJLCSOJ-UHFFFAOYSA-N 0 0 447.314 4.011 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(ccn4CCN4CCOCC4)c3)cc2)n1 ZINC000065316435 569134213 /nfs/dbraw/zinc/13/42/13/569134213.db2.gz PQRPRUVMLSMKBH-UHFFFAOYSA-N 0 0 443.551 4.028 50 0 IIAARN COc1ccccc1CNC(=O)C1CCN(c2ccc(SCc3ccccc3)nn2)CC1 ZINC000065314886 569135753 /nfs/dbraw/zinc/13/57/53/569135753.db2.gz CHBHPLAXIRSNQL-UHFFFAOYSA-N 0 0 448.592 4.310 50 0 IIAARN CCc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000065315218 569135825 /nfs/dbraw/zinc/13/58/25/569135825.db2.gz PHOILXMGCNIOPD-UHFFFAOYSA-N 0 0 433.549 4.001 50 0 IIAARN CCn1nccc1C(=O)Nc1c(-c2cccc(C)c2)nc2sc(N3CCCCC3)nn21 ZINC000065321007 569136364 /nfs/dbraw/zinc/13/63/64/569136364.db2.gz NWQPYEOTBOVNPQ-UHFFFAOYSA-N 0 0 435.557 4.225 50 0 IIAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000065322233 569136571 /nfs/dbraw/zinc/13/65/71/569136571.db2.gz BZCNTEOCIHFIHP-UHFFFAOYSA-N 0 0 436.556 4.458 50 0 IIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000036750379 569137627 /nfs/dbraw/zinc/13/76/27/569137627.db2.gz KCKLXCOXTPWOLH-CQSZACIVSA-N 0 0 428.410 4.293 50 0 IIAARN O=C(NCc1cccc2ccccc21)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238953646 569138117 /nfs/dbraw/zinc/13/81/17/569138117.db2.gz XLULJQAZIOOQFY-GOSISDBHSA-N 0 0 426.314 4.360 50 0 IIAARN Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000036874985 569138544 /nfs/dbraw/zinc/13/85/44/569138544.db2.gz COYCLLAPADZLTL-HXUWFJFHSA-N 0 0 449.576 4.346 50 0 IIAARN C[C@@H](OC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000065605686 569140077 /nfs/dbraw/zinc/14/00/77/569140077.db2.gz OKXSBZNANJWTHY-CYBMUJFWSA-N 0 0 433.386 4.258 50 0 IIAARN CCc1c(C)sc2nc(SCC(=O)N3CCC3)n(-c3cc(C)ccc3C)c(=O)c12 ZINC000037171041 569140581 /nfs/dbraw/zinc/14/05/81/569140581.db2.gz IYORHODVCIWUSF-UHFFFAOYSA-N 0 0 427.595 4.259 50 0 IIAARN COc1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)ccc1OC(F)F ZINC000170597611 569142229 /nfs/dbraw/zinc/14/22/29/569142229.db2.gz TUROLPLRWVKWGV-UHFFFAOYSA-N 0 0 431.357 4.357 50 0 IIAARN COC(=O)C[C@](C)(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(OC)c1 ZINC000170602497 569143322 /nfs/dbraw/zinc/14/33/22/569143322.db2.gz WMCKQFWJSKNKDD-QHCPKHFHSA-N 0 0 442.899 4.141 50 0 IIAARN CCOC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2ccccc21 ZINC000170602918 569143453 /nfs/dbraw/zinc/14/34/53/569143453.db2.gz LFTHRTDHJPFARS-IBGZPJMESA-N 0 0 433.483 4.197 50 0 IIAARN O=C(c1csc(-c2cc(Br)cs2)n1)N1CCC(c2cnccn2)CC1 ZINC000170605886 569143877 /nfs/dbraw/zinc/14/38/77/569143877.db2.gz NGTGIIPNZZJQAN-UHFFFAOYSA-N 0 0 435.372 4.444 50 0 IIAARN Cc1ccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2cccc(Cl)c2)cc1 ZINC000037279757 569145696 /nfs/dbraw/zinc/14/56/96/569145696.db2.gz YIVZTOQGFQCUHX-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN CCOC(=O)Nc1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1-c1ccc(C)cc1 ZINC000170623697 569148358 /nfs/dbraw/zinc/14/83/58/569148358.db2.gz SYCWKZPWKAFTTR-KRWDZBQOSA-N 0 0 439.493 4.465 50 0 IIAARN CCc1nc2sccc2c(=O)n1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000009910156 569150480 /nfs/dbraw/zinc/15/04/80/569150480.db2.gz OJKAHJSZDPLBIA-UHFFFAOYSA-N 0 0 432.716 4.130 50 0 IIAARN O=C(Cc1cccc2ccccc21)NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009910763 569150516 /nfs/dbraw/zinc/15/05/16/569150516.db2.gz PGSZVZNKAROWJO-OAQYLSRUSA-N 0 0 429.545 4.472 50 0 IIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c12 ZINC000071285657 569150889 /nfs/dbraw/zinc/15/08/89/569150889.db2.gz NDPZFMJZFAAFTI-UHFFFAOYSA-N 0 0 449.555 4.073 50 0 IIAARN CCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC ZINC000009955204 569151106 /nfs/dbraw/zinc/15/11/06/569151106.db2.gz BNWFIENYCQKWIM-HNNXBMFYSA-N 0 0 428.485 4.017 50 0 IIAARN Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000010060260 569152398 /nfs/dbraw/zinc/15/23/98/569152398.db2.gz FZPSCHQFKJXOFQ-UHFFFAOYSA-N 0 0 439.928 4.151 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(OC)c1 ZINC000010060061 569152420 /nfs/dbraw/zinc/15/24/20/569152420.db2.gz FZPFIGBOONAADY-UHFFFAOYSA-N 0 0 432.505 4.374 50 0 IIAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010220606 569152932 /nfs/dbraw/zinc/15/29/32/569152932.db2.gz AKBUIQJCZWEWJT-UHFFFAOYSA-N 0 0 445.928 4.071 50 0 IIAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000010459942 569154796 /nfs/dbraw/zinc/15/47/96/569154796.db2.gz FGMPQGHIVLKLSB-UHFFFAOYSA-N 0 0 449.595 4.047 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC ZINC000014226229 569158157 /nfs/dbraw/zinc/15/81/57/569158157.db2.gz ZXUXCRDOCPZRAD-UHFFFAOYSA-N 0 0 449.532 4.035 50 0 IIAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1noc(Cc2ccccc2)n1 ZINC000089662072 569160971 /nfs/dbraw/zinc/16/09/71/569160971.db2.gz YDYYUEBKQAIUBI-UXHICEINSA-N 0 0 426.561 4.414 50 0 IIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1I ZINC000016837282 569162636 /nfs/dbraw/zinc/16/26/36/569162636.db2.gz KHCYZPUREHURLM-UHFFFAOYSA-N 0 0 435.217 4.466 50 0 IIAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)cc1 ZINC000016842200 569163461 /nfs/dbraw/zinc/16/34/61/569163461.db2.gz ADZIJACZOXFMDH-UHFFFAOYSA-N 0 0 428.539 4.465 50 0 IIAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)cc1OC ZINC000016843344 569163626 /nfs/dbraw/zinc/16/36/26/569163626.db2.gz JHMSJDWVOCZIGS-UHFFFAOYSA-N 0 0 442.522 4.152 50 0 IIAARN COc1ccc2ncc3c(sc(C(=O)NCCN4CCOCC4)c3-c3ccccc3)c2c1 ZINC000016846866 569163957 /nfs/dbraw/zinc/16/39/57/569163957.db2.gz PFAQCOORZBSLFE-UHFFFAOYSA-N 0 0 447.560 4.187 50 0 IIAARN O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC000089836518 569165298 /nfs/dbraw/zinc/16/52/98/569165298.db2.gz IHRJQUGXVXODFL-UHFFFAOYSA-N 0 0 437.304 4.086 50 0 IIAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)o1)N1CCC(Cc2ccccc2)CC1 ZINC000089830359 569165421 /nfs/dbraw/zinc/16/54/21/569165421.db2.gz OGGZOHKGKCTHFX-UHFFFAOYSA-N 0 0 433.537 4.186 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1 ZINC000016953405 569167218 /nfs/dbraw/zinc/16/72/18/569167218.db2.gz WWAFOZIVMSPIKK-UHFFFAOYSA-N 0 0 440.496 4.228 50 0 IIAARN COc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 ZINC000016960426 569168244 /nfs/dbraw/zinc/16/82/44/569168244.db2.gz PPXOCGXXGSVQKT-UHFFFAOYSA-N 0 0 446.532 4.466 50 0 IIAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)s3)s2)cc1 ZINC000016992170 569169560 /nfs/dbraw/zinc/16/95/60/569169560.db2.gz PQCMJCIFVZBTJR-UHFFFAOYSA-N 0 0 428.988 4.363 50 0 IIAARN COc1ccc(C(=O)NCCc2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC ZINC000016991936 569169723 /nfs/dbraw/zinc/16/97/23/569169723.db2.gz ZGUOSSIEAHXWAU-UHFFFAOYSA-N 0 0 442.537 4.125 50 0 IIAARN CCOc1ccc(CN(C)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000089991116 569170021 /nfs/dbraw/zinc/17/00/21/569170021.db2.gz CMGAUZUELPHAQW-HHHXNRCGSA-N 0 0 443.547 4.165 50 0 IIAARN C[C@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1C(=O)COc1ccccc1 ZINC000037355960 569171163 /nfs/dbraw/zinc/17/11/63/569171163.db2.gz FEMDSUADFKHVTL-KRWDZBQOSA-N 0 0 438.915 4.038 50 0 IIAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)/C=C/c3ccccc3)[C@@H](C)C2)ncn1 ZINC000037356326 569172052 /nfs/dbraw/zinc/17/20/52/569172052.db2.gz OJRWHYVEGODZTF-BLRBJFNZSA-N 0 0 432.499 4.467 50 0 IIAARN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037356456 569172178 /nfs/dbraw/zinc/17/21/78/569172178.db2.gz LSSCONMDSHCGGD-OAHLLOKOSA-N 0 0 426.879 4.412 50 0 IIAARN O=C(Cc1cccs1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037356641 569172252 /nfs/dbraw/zinc/17/22/52/569172252.db2.gz WMAKYWVCOHCKLC-UHFFFAOYSA-N 0 0 432.908 4.014 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)c(Cl)c4)ncn3)CC2)cc1 ZINC000037356577 569172263 /nfs/dbraw/zinc/17/22/63/569172263.db2.gz ACQMGIBJRHKCLB-UHFFFAOYSA-N 0 0 426.879 4.332 50 0 IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(N1CCSCC1)nc2-c1cccc(Cl)c1 ZINC000037359058 569176981 /nfs/dbraw/zinc/17/69/81/569176981.db2.gz VMDZIOUQFNRNTK-UHFFFAOYSA-N 0 0 440.935 4.410 50 0 IIAARN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000170637437 569178437 /nfs/dbraw/zinc/17/84/37/569178437.db2.gz REDDMACAVQHZHJ-CQSZACIVSA-N 0 0 437.304 4.309 50 0 IIAARN Cc1cc(OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002094372 569179195 /nfs/dbraw/zinc/17/91/95/569179195.db2.gz PSGAMIJTYDZXDY-QHCPKHFHSA-N 0 0 449.503 4.447 50 0 biogenic IIAARN COc1ccc(NC(=O)c2sc(NC(=O)[C@H]3CCCO3)c(C(=O)OC(C)C)c2C)cc1 ZINC000002101609 569179798 /nfs/dbraw/zinc/17/97/98/569179798.db2.gz KLZDKLSKFDNOIK-MRXNPFEDSA-N 0 0 446.525 4.000 50 0 IIAARN COc1ccc(NC(=O)c2sc(NC(=O)[C@@H]3CCCO3)c(C(=O)OC(C)C)c2C)cc1 ZINC000002101611 569179815 /nfs/dbraw/zinc/17/98/15/569179815.db2.gz KLZDKLSKFDNOIK-INIZCTEOSA-N 0 0 446.525 4.000 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cccnc1 ZINC000002397346 569180818 /nfs/dbraw/zinc/18/08/18/569180818.db2.gz MJOZRSZDQPQEPQ-UHFFFAOYSA-N 0 0 432.347 4.162 50 0 IIAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)C1=O ZINC000002107055 569181208 /nfs/dbraw/zinc/18/12/08/569181208.db2.gz FHRWWCXTHYMPGJ-OZXSUGGESA-N 0 0 445.563 4.442 50 0 biogenic IIAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCC3)CC(=O)N12 ZINC000002113780 569182213 /nfs/dbraw/zinc/18/22/13/569182213.db2.gz OKSBHCJHHFHXKW-BKMJKUGQSA-N 0 0 443.547 4.194 50 0 biogenic IIAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3cccs3)CC(=O)N21 ZINC000002122785 569183534 /nfs/dbraw/zinc/18/35/34/569183534.db2.gz VXXKZDHWEPJDKR-DHLKQENFSA-N 0 0 441.556 4.423 50 0 biogenic IIAARN COc1ccc(OC)c(-c2nc(C(=O)NCCCCCO)cc3c4ccccc4[nH]c32)c1 ZINC000002134889 569185166 /nfs/dbraw/zinc/18/51/66/569185166.db2.gz ZAMWHHWAEZQGBO-UHFFFAOYSA-N 0 0 433.508 4.293 50 0 biogenic IIAARN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccco2)cc1OC ZINC000002155706 569187604 /nfs/dbraw/zinc/18/76/04/569187604.db2.gz DOZBHIXVQWIUKC-IBGZPJMESA-N 0 0 437.492 4.296 50 0 biogenic IIAARN CC(C)[C@@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000252500010 569188054 /nfs/dbraw/zinc/18/80/54/569188054.db2.gz SLVVUWWUKXCBBD-HSZRJFAPSA-N 0 0 446.555 4.016 50 0 IIAARN O=C(COCc1ccccc1)NCCNc1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000037382206 569191865 /nfs/dbraw/zinc/19/18/65/569191865.db2.gz NMQIATNGAFYMPL-UHFFFAOYSA-N 0 0 436.899 4.288 50 0 IIAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000037399336 569194428 /nfs/dbraw/zinc/19/44/28/569194428.db2.gz SOOCTGMFNKFDGU-UHFFFAOYSA-N 0 0 432.543 4.487 50 0 IIAARN CC(C)S(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c1 ZINC000037400152 569194848 /nfs/dbraw/zinc/19/48/48/569194848.db2.gz WTAMHIKYRVPYJC-UHFFFAOYSA-N 0 0 431.485 4.378 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)c2ccco2)cc1 ZINC000037401411 569195109 /nfs/dbraw/zinc/19/51/09/569195109.db2.gz FBRNZSDBVGPNQS-UHFFFAOYSA-N 0 0 443.521 4.354 50 0 IIAARN Cc1cn(Cc2ccccc2C(=O)NCc2ccco2)/c(=N/C(=O)c2ccc(C)cc2)s1 ZINC000037435789 569196107 /nfs/dbraw/zinc/19/61/07/569196107.db2.gz BDALBBRKGFADCY-RFBIWTDZSA-N 0 0 445.544 4.479 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000037443330 569197211 /nfs/dbraw/zinc/19/72/11/569197211.db2.gz DIFIFTKIBVPJHW-FXABVQRQSA-N 0 0 433.552 4.386 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1 ZINC000037522782 569198401 /nfs/dbraw/zinc/19/84/01/569198401.db2.gz GKDXODGUADRWOF-GOSISDBHSA-N 0 0 430.504 4.248 50 0 IIAARN CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037525512 569198853 /nfs/dbraw/zinc/19/88/53/569198853.db2.gz LEMMSIQQWMGNFM-UHFFFAOYSA-N 0 0 433.474 4.196 50 0 IIAARN O=C(NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1)c1cccs1 ZINC000037525158 569198972 /nfs/dbraw/zinc/19/89/72/569198972.db2.gz DHAYPQPTBCGPLT-UHFFFAOYSA-N 0 0 437.540 4.216 50 0 IIAARN CN(Cc1ccco1)C(=O)c1ccccc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000037525282 569199002 /nfs/dbraw/zinc/19/90/02/569199002.db2.gz WAUXCIQJKIBBGY-UHFFFAOYSA-N 0 0 432.524 4.342 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037546970 569199861 /nfs/dbraw/zinc/19/98/61/569199861.db2.gz VVCDBDQIRIIBRB-IBGZPJMESA-N 0 0 441.478 4.479 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037547122 569199966 /nfs/dbraw/zinc/19/99/66/569199966.db2.gz IFNXVJLOLLEMEX-NRFANRHFSA-N 0 0 441.478 4.479 50 0 IIAARN Cc1ccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccc(Cl)cc2)cc1 ZINC000037558053 569200816 /nfs/dbraw/zinc/20/08/16/569200816.db2.gz PZXJDXZJNKTCME-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN Cc1ccccc1Cn1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000037560136 569200918 /nfs/dbraw/zinc/20/09/18/569200918.db2.gz BJLNIFJHJUDNSG-UHFFFAOYSA-N 0 0 430.552 4.485 50 0 IIAARN CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@H]1c1cccc(OC)c1OC ZINC000037575049 569201332 /nfs/dbraw/zinc/20/13/32/569201332.db2.gz JWAMFIFQGXOYMR-IBGZPJMESA-N 0 0 427.472 4.196 50 0 IIAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1cccc(CC(=O)N2CCOCC2)c1 ZINC000037600492 569202259 /nfs/dbraw/zinc/20/22/59/569202259.db2.gz NFOVOEIMZRTXSG-CCEZHUSRSA-N 0 0 440.543 4.335 50 0 IIAARN CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)CC1 ZINC000037600461 569202274 /nfs/dbraw/zinc/20/22/74/569202274.db2.gz POVPWJSEYZECQN-LJQANCHMSA-N 0 0 431.536 4.288 50 0 IIAARN Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 ZINC000037601107 569202283 /nfs/dbraw/zinc/20/22/83/569202283.db2.gz CLLRJNCMVXPWIO-UHFFFAOYSA-N 0 0 446.522 4.382 50 0 IIAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)COc1ccccc1 ZINC000037623803 569203445 /nfs/dbraw/zinc/20/34/45/569203445.db2.gz SISVEIDPHFMDFY-KRWDZBQOSA-N 0 0 438.915 4.038 50 0 IIAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000066089733 569205655 /nfs/dbraw/zinc/20/56/55/569205655.db2.gz HKPCSXNGSMTJAN-INIZCTEOSA-N 0 0 446.887 4.076 50 0 IIAARN COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2cc3c(c(OC)c2OC)OCO3)cc1 ZINC000066089833 569205754 /nfs/dbraw/zinc/20/57/54/569205754.db2.gz LQRGOADNBBFLIZ-AWEZNQCLSA-N 0 0 440.477 4.039 50 0 IIAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@H]1[C@H]2c1ccc2c(c1)OCO2 ZINC000066091337 569205790 /nfs/dbraw/zinc/20/57/90/569205790.db2.gz HBHUFCORSPOXHF-PMACEKPBSA-N 0 0 429.480 4.141 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCOCC5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252695302 569211152 /nfs/dbraw/zinc/21/11/52/569211152.db2.gz YABJRYQKQLPLQE-ISKYWQPHSA-N 0 0 429.601 4.152 50 0 biogenic IIAARN COc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCCO4)cc1 ZINC000002691270 569212559 /nfs/dbraw/zinc/21/25/59/569212559.db2.gz ZFUZKFZTDCVWTI-UHFFFAOYSA-N 0 0 427.456 4.061 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1C(F)(F)F ZINC000002717760 569212749 /nfs/dbraw/zinc/21/27/49/569212749.db2.gz LAHJFXJDDOSVMM-UHFFFAOYSA-N 0 0 445.426 4.271 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000002245231 569214249 /nfs/dbraw/zinc/21/42/49/569214249.db2.gz LKGGJAYGMKSPFB-UHFFFAOYSA-N 0 0 437.974 4.488 50 0 IIAARN CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1n1oc(=O)n(-c2cccc(Cl)c2)c1=O ZINC000002262027 569215920 /nfs/dbraw/zinc/21/59/20/569215920.db2.gz AGJCTQLUOZAVAK-MRXNPFEDSA-N 0 0 447.969 4.057 50 0 IIAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002262961 569215925 /nfs/dbraw/zinc/21/59/25/569215925.db2.gz XGEXKUJHOACDLR-UHFFFAOYSA-N 0 0 425.467 4.284 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000027500383 569216486 /nfs/dbraw/zinc/21/64/86/569216486.db2.gz PAQBCSUXCPDGDF-PXNMLYILSA-N 0 0 448.244 4.257 50 0 IIAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000140668910 569258926 /nfs/dbraw/zinc/25/89/26/569258926.db2.gz HCRGPOQBVFMZFY-PPCFKNSFSA-N 0 0 446.628 4.088 50 0 IIAARN COc1ccc(CNC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002282618 569263483 /nfs/dbraw/zinc/26/34/83/569263483.db2.gz HIIGTKYLHGNPFD-UHFFFAOYSA-N 0 0 437.503 4.403 50 0 IIAARN CN(C(=O)CC[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1)C1CC[NH+](C)CC1 ZINC000012000869 569264176 /nfs/dbraw/zinc/26/41/76/569264176.db2.gz WSQVOTGSTUMHMR-PZIRLDSMSA-N 0 0 443.676 4.164 50 0 IIAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253406676 569265281 /nfs/dbraw/zinc/26/52/81/569265281.db2.gz JCHOSQZBOWHFPI-NRFANRHFSA-N 0 0 426.472 4.094 50 0 biogenic IIAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253406678 569265361 /nfs/dbraw/zinc/26/53/61/569265361.db2.gz JCHOSQZBOWHFPI-OAQYLSRUSA-N 0 0 426.472 4.094 50 0 biogenic IIAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000253414219 569266139 /nfs/dbraw/zinc/26/61/39/569266139.db2.gz WUUARYRCZUTHBL-HSZRJFAPSA-N 0 0 445.519 4.440 50 0 biogenic IIAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000253429963 569267480 /nfs/dbraw/zinc/26/74/80/569267480.db2.gz VZKFZUQSHJTSFC-CYBMUJFWSA-N 0 0 427.370 4.054 50 0 IIAARN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccccc1 ZINC000253429229 569267647 /nfs/dbraw/zinc/26/76/47/569267647.db2.gz QWTCNFVYJBGBIS-NRFANRHFSA-N 0 0 449.555 4.108 50 0 IIAARN COc1ccc(CNC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc32)cc1 ZINC000002290631 569267880 /nfs/dbraw/zinc/26/78/80/569267880.db2.gz HOJXJDHAFKNMJL-UHFFFAOYSA-N 0 0 441.466 4.234 50 0 IIAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002291453 569268005 /nfs/dbraw/zinc/26/80/05/569268005.db2.gz CXFFHBXXJDQYSS-UHFFFAOYSA-N 0 0 435.531 4.382 50 0 IIAARN CCOc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002309411 569272111 /nfs/dbraw/zinc/27/21/11/569272111.db2.gz LYEXBUPPLSPWOD-UHFFFAOYSA-N 0 0 437.503 4.485 50 0 IIAARN CCOc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000002323161 569274337 /nfs/dbraw/zinc/27/43/37/569274337.db2.gz BUUPRUWMOWRUAI-UHFFFAOYSA-N 0 0 429.567 4.003 50 0 IIAARN COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000002330428 569274513 /nfs/dbraw/zinc/27/45/13/569274513.db2.gz KWZCKGNKICTBKE-OAQYLSRUSA-N 0 0 431.444 4.462 50 0 IIAARN O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000252498009 569287992 /nfs/dbraw/zinc/28/79/92/569287992.db2.gz QTTHKOMTQWWRDZ-SFTDATJTSA-N 0 0 449.482 4.167 50 0 IIAARN COC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc3c(c1)OCO3)CCCCCC2 ZINC000002373797 569289205 /nfs/dbraw/zinc/28/92/05/569289205.db2.gz YVJLGLANLJHTMJ-UHFFFAOYSA-N 0 0 446.550 4.049 50 0 IIAARN O=C(Nc1ccccc1F)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F ZINC000522514460 569293871 /nfs/dbraw/zinc/29/38/71/569293871.db2.gz WFJUVWQBYZGYDP-HXUWFJFHSA-N 0 0 446.450 4.253 50 0 IIAARN CC(C)[C@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)Nc4ccccc4)nc(N)c32)CO1 ZINC000002405744 569300122 /nfs/dbraw/zinc/30/01/22/569300122.db2.gz PLEDFWZFKLWVJA-SWLSCSKDSA-N 0 0 428.583 4.490 50 0 IIAARN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1cccs1 ZINC000002411969 569301088 /nfs/dbraw/zinc/30/10/88/569301088.db2.gz FUFBRFOLDQECDY-UHFFFAOYSA-N 0 0 438.509 4.248 50 0 IIAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002415903 569301345 /nfs/dbraw/zinc/30/13/45/569301345.db2.gz FVSVEGNREWTEOL-YWZLYKJASA-N 0 0 425.481 4.378 50 0 IIAARN Nc1c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 ZINC000002416633 569301487 /nfs/dbraw/zinc/30/14/87/569301487.db2.gz ZBMLRWINDRHECM-ZDUSSCGKSA-N 0 0 440.862 4.284 50 0 IIAARN COc1cc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)cc(OC)c1OC ZINC000002422515 569302240 /nfs/dbraw/zinc/30/22/40/569302240.db2.gz QEKAPMNAVSRSFS-UHFFFAOYSA-N 0 0 436.512 4.487 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000002424217 569302375 /nfs/dbraw/zinc/30/23/75/569302375.db2.gz DBMMFISZKNAHRX-BEFAXECRSA-N 0 0 440.293 4.280 50 0 IIAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(OC)cc2)s1 ZINC000002430506 569303279 /nfs/dbraw/zinc/30/32/79/569303279.db2.gz HFKYVAGEQDMJJZ-LJQANCHMSA-N 0 0 433.489 4.274 50 0 IIAARN COc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000002444263 569304344 /nfs/dbraw/zinc/30/43/44/569304344.db2.gz SEBWHDHZWNMNQN-UHFFFAOYSA-N 0 0 425.901 4.208 50 0 IIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]1(C)CC1(Br)Br ZINC000002445711 569304362 /nfs/dbraw/zinc/30/43/62/569304362.db2.gz NSOSYWYXAAVMQZ-OAHLLOKOSA-N 0 0 444.123 4.179 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000002450545 569304917 /nfs/dbraw/zinc/30/49/17/569304917.db2.gz VUVRKDVOSNOLJD-UHFFFAOYSA-N 0 0 432.933 4.366 50 0 IIAARN Clc1cc(CSc2nc(CN3CCOCC3)nc3ccccc32)cc2c1OCCO2 ZINC000012983508 569305859 /nfs/dbraw/zinc/30/58/59/569305859.db2.gz UDMASRZBXMWDBJ-UHFFFAOYSA-N 0 0 443.956 4.179 50 0 IIAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012983935 569305880 /nfs/dbraw/zinc/30/58/80/569305880.db2.gz SJCIWRRWYVRBIL-UHFFFAOYSA-N 0 0 443.532 4.133 50 0 IIAARN COc1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1Cl ZINC000002453638 569306155 /nfs/dbraw/zinc/30/61/55/569306155.db2.gz ARVSTUFJWKEMSP-UHFFFAOYSA-N 0 0 441.738 4.422 50 0 IIAARN COc1cccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1OC ZINC000013009825 569306588 /nfs/dbraw/zinc/30/65/88/569306588.db2.gz UGINGJJMFYWPHV-UHFFFAOYSA-N 0 0 444.495 4.292 50 0 IIAARN CCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 ZINC000013010038 569306733 /nfs/dbraw/zinc/30/67/33/569306733.db2.gz DHKIDVVKUSXSFV-UHFFFAOYSA-N 0 0 434.525 4.078 50 0 IIAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)nn2)n1 ZINC000013010126 569306744 /nfs/dbraw/zinc/30/67/44/569306744.db2.gz SRZJYZGWBRXXSG-UHFFFAOYSA-N 0 0 448.552 4.440 50 0 IIAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2)C1 ZINC000013040118 569307987 /nfs/dbraw/zinc/30/79/87/569307987.db2.gz NOOIPTNIMPMEDM-IAGOWNOFSA-N 0 0 434.989 4.279 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000013040933 569308122 /nfs/dbraw/zinc/30/81/22/569308122.db2.gz SJEZHAVXQMCIFL-UHFFFAOYSA-N 0 0 427.460 4.315 50 0 IIAARN CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000013056552 569308313 /nfs/dbraw/zinc/30/83/13/569308313.db2.gz CLKRKYNZXGUMFT-QGZVFWFLSA-N 0 0 429.472 4.414 50 0 IIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000013062642 569308655 /nfs/dbraw/zinc/30/86/55/569308655.db2.gz PWAYEUAGJPJFGS-UHFFFAOYSA-N 0 0 439.445 4.309 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000013074257 569309138 /nfs/dbraw/zinc/30/91/38/569309138.db2.gz YOVSVNSAHKFJRA-UHFFFAOYSA-N 0 0 447.967 4.006 50 0 IIAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)S(=O)(=O)c2cccs2)cc1 ZINC000013098428 569309921 /nfs/dbraw/zinc/30/99/21/569309921.db2.gz VFNHXLNFQVYJSN-UHFFFAOYSA-N 0 0 441.983 4.290 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccc3c(c1)OCCO3)CC2 ZINC000013100382 569310033 /nfs/dbraw/zinc/31/00/33/569310033.db2.gz MOYNZJKOKRWGKX-MHZLTWQESA-N 0 0 445.515 4.192 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000013137453 569311472 /nfs/dbraw/zinc/31/14/72/569311472.db2.gz VTOVWSIAIUXTDH-UHFFFAOYSA-N 0 0 438.549 4.402 50 0 IIAARN COc1ccc(CCNC(=O)c2cc(Br)c(Br)s2)cc1OC ZINC000013137833 569311629 /nfs/dbraw/zinc/31/16/29/569311629.db2.gz WTJNKJXMQNZRFV-UHFFFAOYSA-N 0 0 449.164 4.263 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)coc2c1 ZINC000013141191 569311748 /nfs/dbraw/zinc/31/17/48/569311748.db2.gz AQYFUFLUBAPGJY-UHFFFAOYSA-N 0 0 426.538 4.405 50 0 IIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000013354150 569313405 /nfs/dbraw/zinc/31/34/05/569313405.db2.gz OMDYJKQPYXBPOD-UHFFFAOYSA-N 0 0 429.542 4.179 50 0 IIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000013354120 569313424 /nfs/dbraw/zinc/31/34/24/569313424.db2.gz XEHFRTCIDPDGNT-UHFFFAOYSA-N 0 0 447.532 4.318 50 0 IIAARN Cc1ccccc1C(=O)N1CSC[C@@H]1C(=O)NCc1csc(-c2cccs2)n1 ZINC000013354879 569313463 /nfs/dbraw/zinc/31/34/63/569313463.db2.gz YXIKGUJOOQHTHP-MRXNPFEDSA-N 0 0 429.592 4.012 50 0 IIAARN COc1cc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc(OC)c1OC ZINC000013357985 569313708 /nfs/dbraw/zinc/31/37/08/569313708.db2.gz FBAVRKXGSKVTAQ-UHFFFAOYSA-N 0 0 434.539 4.254 50 0 IIAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)cc2=O)s1 ZINC000013367960 569314491 /nfs/dbraw/zinc/31/44/91/569314491.db2.gz YGUYEVVNOLNBKM-UHFFFAOYSA-N 0 0 438.484 4.245 50 0 IIAARN Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C(C)C)sc4n3)c2)c1 ZINC000013367998 569314499 /nfs/dbraw/zinc/31/44/99/569314499.db2.gz BKQFRFIYGREFLW-UHFFFAOYSA-N 0 0 434.521 4.414 50 0 IIAARN O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCCCC1 ZINC000002461724 569316291 /nfs/dbraw/zinc/31/62/91/569316291.db2.gz VYDMKLZOWQMQDK-UHFFFAOYSA-N 0 0 430.957 4.129 50 0 IIAARN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc(SCc2cccnc2)cc1 ZINC000328592955 569317330 /nfs/dbraw/zinc/31/73/30/569317330.db2.gz GNXQNGCFBFWTFF-QZTJIDSGSA-N 0 0 425.598 4.481 50 0 IIAARN CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1 ZINC000078967650 569320573 /nfs/dbraw/zinc/32/05/73/569320573.db2.gz QTBSIYIGUZTCGQ-KRWDZBQOSA-N 0 0 431.421 4.013 50 0 IIAARN O=C(Nc1ccc(OC(F)F)cc1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000079023415 569322613 /nfs/dbraw/zinc/32/26/13/569322613.db2.gz JXIYIIPLOJAJEK-MRXNPFEDSA-N 0 0 439.256 4.353 50 0 IIAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c2cccnc12 ZINC000079044733 569322992 /nfs/dbraw/zinc/32/29/92/569322992.db2.gz IVXVZAZKZYFXDR-CYBMUJFWSA-N 0 0 428.901 4.286 50 0 IIAARN Cc1cc2ncn(C[C@H](NC(=O)CCc3nc(-c4cccs4)no3)C3CC3)c2cc1C ZINC000079045679 569323151 /nfs/dbraw/zinc/32/31/51/569323151.db2.gz COUPJJUNJNOOHF-SFHVURJKSA-N 0 0 435.553 4.292 50 0 IIAARN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000079069102 569324393 /nfs/dbraw/zinc/32/43/93/569324393.db2.gz DPTGUULTTCLXHA-AUUYWEPGSA-N 0 0 436.371 4.126 50 0 IIAARN Cc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)c1 ZINC000079112401 569326372 /nfs/dbraw/zinc/32/63/72/569326372.db2.gz YTAFGKAIBSEAIQ-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000079188285 569327820 /nfs/dbraw/zinc/32/78/20/569327820.db2.gz HGRVYFIKNDRHIZ-REWPJTCUSA-N 0 0 438.476 4.292 50 0 biogenic IIAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1OCc1ccccn1 ZINC000079190881 569327981 /nfs/dbraw/zinc/32/79/81/569327981.db2.gz GEMZPIBLYMNZRX-XUZZJYLKSA-N 0 0 443.455 4.223 50 0 biogenic IIAARN CCCCc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793320 569329462 /nfs/dbraw/zinc/32/94/62/569329462.db2.gz UBNTTWXKHQZWFZ-UHFFFAOYSA-N 0 0 447.579 4.226 50 0 IIAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc2N(C)C1=O ZINC000019796663 569329573 /nfs/dbraw/zinc/32/95/73/569329573.db2.gz PVYKESHBIQSPNS-LBPRGKRZSA-N 0 0 443.912 4.225 50 0 IIAARN COc1ccc(OCC(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)cc1 ZINC000019855334 569330528 /nfs/dbraw/zinc/33/05/28/569330528.db2.gz SURAISXUPULFKV-UHFFFAOYSA-N 0 0 442.519 4.391 50 0 IIAARN O=C(CCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)NCc1ccccc1Cl ZINC000079479868 569330875 /nfs/dbraw/zinc/33/08/75/569330875.db2.gz SKJBUIOANCESSG-UHFFFAOYSA-N 0 0 438.959 4.409 50 0 IIAARN COc1ccc2nc(NC(=O)CC(C)(C)CC(=O)OCC(F)(F)C(F)F)sc2c1 ZINC000020034719 569332598 /nfs/dbraw/zinc/33/25/98/569332598.db2.gz OXHAQRCLUQEFQB-UHFFFAOYSA-N 0 0 436.427 4.493 50 0 IIAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020108143 569334384 /nfs/dbraw/zinc/33/43/84/569334384.db2.gz FSYBPXHKVJLBRV-RUZDIDTESA-N 0 0 446.503 4.160 50 0 IIAARN CCCc1cc2c(cc1OC(=O)[C@H](N)Cc1ccccc1)occ(-c1ccccn1)c2=O ZINC000020111151 569334564 /nfs/dbraw/zinc/33/45/64/569334564.db2.gz BIWQAPHXURHPOU-OAQYLSRUSA-N 0 0 428.488 4.283 50 0 biogenic IIAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N1CC2 ZINC000020153403 569353558 /nfs/dbraw/zinc/35/35/58/569353558.db2.gz DOXHQORMSXNLFR-SHDWXSBVSA-N 0 0 448.563 4.045 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N1CC2 ZINC000020155455 569353674 /nfs/dbraw/zinc/35/36/74/569353674.db2.gz GQLUARVIOPCKAL-DQEYMECFSA-N 0 0 448.563 4.333 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC[C@@H](C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000020155735 569353772 /nfs/dbraw/zinc/35/37/72/569353772.db2.gz SJJDDKMWQDLQFO-YWWLGCSWSA-N 0 0 445.563 4.354 50 0 IIAARN Cc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c(Br)c1 ZINC000020280357 569358636 /nfs/dbraw/zinc/35/86/36/569358636.db2.gz FLBOOXVQUBBJOD-UHFFFAOYSA-N 0 0 429.314 4.407 50 0 IIAARN CCOC(=O)C1=C(CN(Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358905 /nfs/dbraw/zinc/35/89/05/569358905.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 0 0 437.540 4.286 50 0 IIAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)c(C)c1 ZINC000020355061 569361283 /nfs/dbraw/zinc/36/12/83/569361283.db2.gz LWGPINSGWOQMNS-FQEVSTJZSA-N 0 0 437.565 4.199 50 0 IIAARN C[C@H](OC(=O)c1[nH]c2ccccc2c1Br)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000095350344 569361783 /nfs/dbraw/zinc/36/17/83/569361783.db2.gz JBMUVXNFUQWZNR-BLLLJJGKSA-N 0 0 443.297 4.116 50 0 IIAARN C[C@H](c1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1)N1C(=O)c2ccccc2C1=O ZINC000080346342 569362865 /nfs/dbraw/zinc/36/28/65/569362865.db2.gz UNAAHTWGQKKLNG-LLDWYLAQSA-N 0 0 433.537 4.011 50 0 IIAARN Cc1oc(-c2cccs2)nc1CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020407886 569363765 /nfs/dbraw/zinc/36/37/65/569363765.db2.gz VZUVLKZVOBWZKW-UHFFFAOYSA-N 0 0 435.549 4.444 50 0 IIAARN CC[C@H](C(=O)NCCc1ccccc1OC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020413571 569364182 /nfs/dbraw/zinc/36/41/82/569364182.db2.gz BXATWCLCTFELDT-GOSISDBHSA-N 0 0 435.549 4.238 50 0 IIAARN CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCS1 ZINC000095403687 569364204 /nfs/dbraw/zinc/36/42/04/569364204.db2.gz IHPBYMCSVHTMFE-IBGZPJMESA-N 0 0 439.002 4.354 50 0 IIAARN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000095418676 569365497 /nfs/dbraw/zinc/36/54/97/569365497.db2.gz PAHDOAYUMMEHIR-HXUWFJFHSA-N 0 0 438.499 4.483 50 0 IIAARN CC(C)c1nccc(C2CCN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CC2)n1 ZINC000095431186 569366309 /nfs/dbraw/zinc/36/63/09/569366309.db2.gz SWUUIUQGCAGYDJ-UHFFFAOYSA-N 0 0 429.524 4.267 50 0 IIAARN CCOc1ccc(OCCCC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1 ZINC000095441492 569366796 /nfs/dbraw/zinc/36/67/96/569366796.db2.gz OBRQODBGWSNAMG-GHTZIAJQSA-N 0 0 434.577 4.396 50 0 IIAARN CCOc1cc(CN2CCN(C(=O)c3cccnc3)CC2)ccc1OCc1ccccc1 ZINC000095453790 569368238 /nfs/dbraw/zinc/36/82/38/569368238.db2.gz RGYWDVSERCWSOO-UHFFFAOYSA-N 0 0 431.536 4.017 50 0 IIAARN Cc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1S(C)(=O)=O ZINC000095453535 569368242 /nfs/dbraw/zinc/36/82/42/569368242.db2.gz WCWDHTFZBNYYBQ-FQEVSTJZSA-N 0 0 428.941 4.161 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC000095462461 569370214 /nfs/dbraw/zinc/37/02/14/569370214.db2.gz RJUYUMDSWJOFHY-UHFFFAOYSA-N 0 0 428.888 4.354 50 0 IIAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095466224 569370816 /nfs/dbraw/zinc/37/08/16/569370816.db2.gz YJOYAXFVCGDODA-INIZCTEOSA-N 0 0 439.438 4.364 50 0 IIAARN COc1ccccc1CCC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F ZINC000095466235 569370962 /nfs/dbraw/zinc/37/09/62/569370962.db2.gz AQBLGZSSFFAHFR-FQEVSTJZSA-N 0 0 427.419 4.073 50 0 IIAARN C[C@H](NC(=O)Nc1ccncc1I)c1cccc(OC(F)F)c1 ZINC000095466956 569371044 /nfs/dbraw/zinc/37/10/44/569371044.db2.gz UWNNDNQSWCDYOD-VIFPVBQESA-N 0 0 433.196 4.170 50 0 IIAARN COC(=O)C[C@H](c1ccnn1C(C)C)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095476579 569373002 /nfs/dbraw/zinc/37/30/02/569373002.db2.gz DSICCJOYROZOLV-QGZVFWFLSA-N 0 0 428.510 4.110 50 0 IIAARN C[C@@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1nnc2ccccn21 ZINC000095478390 569373508 /nfs/dbraw/zinc/37/35/08/569373508.db2.gz AZUFOLDJSTWKFY-CJNGLKHVSA-N 0 0 433.339 4.425 50 0 IIAARN C[C@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1nnc2ccccn21 ZINC000095478389 569373542 /nfs/dbraw/zinc/37/35/42/569373542.db2.gz AZUFOLDJSTWKFY-BBRMVZONSA-N 0 0 433.339 4.425 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H]3CCc4ccccc4C3)o2)c1 ZINC000095941643 569375577 /nfs/dbraw/zinc/37/55/77/569375577.db2.gz DRYFLNZMMBAMTN-IBGZPJMESA-N 0 0 443.594 4.417 50 0 IIAARN COc1ccc(C(=O)N2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000095948955 569376553 /nfs/dbraw/zinc/37/65/53/569376553.db2.gz GQGGOQVSFOHERH-UHFFFAOYSA-N 0 0 430.430 4.010 50 0 IIAARN CCNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3sc(C)c(C)c32)cc1 ZINC000095949006 569376559 /nfs/dbraw/zinc/37/65/59/569376559.db2.gz KFKZNSCWEPZYPT-UHFFFAOYSA-N 0 0 430.477 4.369 50 0 IIAARN O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Br)c(O)c1 ZINC000095978317 569377742 /nfs/dbraw/zinc/37/77/42/569377742.db2.gz WRBDPNQSUUTRMW-UHFFFAOYSA-N 0 0 425.282 4.337 50 0 IIAARN O=C(Nc1ccc2c(Cl)ccc(Cl)c2n1)c1nn(-c2cccc(F)c2)ccc1=O ZINC000096002250 569379045 /nfs/dbraw/zinc/37/90/45/569379045.db2.gz WQKNPHVAQZYACQ-UHFFFAOYSA-N 0 0 429.238 4.479 50 0 IIAARN O=C(c1ccccc1Br)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096945 569381298 /nfs/dbraw/zinc/38/12/98/569381298.db2.gz RLFJZNQJKAHDEY-UHFFFAOYSA-N 0 0 440.135 4.290 50 0 IIAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096675 569381352 /nfs/dbraw/zinc/38/13/52/569381352.db2.gz ZZHVLQHXSPZDAY-UHFFFAOYSA-N 0 0 443.472 4.385 50 0 IIAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099519 569381689 /nfs/dbraw/zinc/38/16/89/569381689.db2.gz OJELZYQSKACLFA-UHFFFAOYSA-N 0 0 439.533 4.078 50 0 IIAARN O=S(=O)(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccc(Br)s1 ZINC000096104110 569382084 /nfs/dbraw/zinc/38/20/84/569382084.db2.gz BVIOVLRMXVNCBU-UHFFFAOYSA-N 0 0 430.393 4.178 50 0 IIAARN Cc1nc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)ncn3)CC2)sc1C ZINC000096124049 569385394 /nfs/dbraw/zinc/38/53/94/569385394.db2.gz SLNJCYVYXSJLRB-UHFFFAOYSA-N 0 0 432.553 4.349 50 0 IIAARN COCCn1c2cnccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000096125431 569385630 /nfs/dbraw/zinc/38/56/30/569385630.db2.gz CRFBDNDFIYTLDV-CQSZACIVSA-N 0 0 433.434 4.118 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccccn2)C(=O)c2cccs2)c1C ZINC000096210567 569386477 /nfs/dbraw/zinc/38/64/77/569386477.db2.gz GHGIQZNMGVDCIG-MRXNPFEDSA-N 0 0 439.537 4.179 50 0 IIAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(F)c(F)c1 ZINC000096231524 569387619 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Cc1ccccc1CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245579 569465899 /nfs/dbraw/zinc/46/58/99/569465899.db2.gz HCBLEDVLSFJXCN-UHFFFAOYSA-N 0 0 434.970 4.465 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067255265 569466027 /nfs/dbraw/zinc/46/60/27/569466027.db2.gz QMIVFGZINAWQCC-UHFFFAOYSA-N 0 0 438.549 4.060 50 0 IIAARN CCN(C(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O)c1cccc(C)c1 ZINC000067255583 569466063 /nfs/dbraw/zinc/46/60/63/569466063.db2.gz JYOGNRYEYUWCAD-UHFFFAOYSA-N 0 0 447.564 4.021 50 0 IIAARN COc1ccc([C@H](C)NC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 ZINC000067260940 569466469 /nfs/dbraw/zinc/46/64/69/569466469.db2.gz XKUKWBVRFCEPSA-IBGZPJMESA-N 0 0 444.535 4.056 50 0 IIAARN CCOc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 ZINC000067261701 569466597 /nfs/dbraw/zinc/46/65/97/569466597.db2.gz AAARNPSBENDQPA-UHFFFAOYSA-N 0 0 433.899 4.311 50 0 IIAARN CCc1cccc(C)c1NC(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O ZINC000067289534 569467460 /nfs/dbraw/zinc/46/74/60/569467460.db2.gz AYNOFTFTROCVTN-UHFFFAOYSA-N 0 0 428.492 4.383 50 0 IIAARN COC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc1 ZINC000067293512 569467774 /nfs/dbraw/zinc/46/77/74/569467774.db2.gz WJSJAAUBDFQFCE-RWEWTDSWSA-N 0 0 429.432 4.108 50 0 IIAARN Cn1c(/C=c2\sc3nc4ccccc4n3c2=O)ccc1-c1ccc(Br)cc1 ZINC000067300026 569468147 /nfs/dbraw/zinc/46/81/47/569468147.db2.gz ABOXZAULERIKIP-UNOMPAQXSA-N 0 0 436.334 4.225 50 0 IIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038726881 569468311 /nfs/dbraw/zinc/46/83/11/569468311.db2.gz NCGFBXWBYAJSEC-NHCUHLMSSA-N 0 0 444.934 4.111 50 0 IIAARN CCOc1ccc2ccccc2c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000038725740 569468316 /nfs/dbraw/zinc/46/83/16/569468316.db2.gz UUPKPADBFNQVHX-XZOQPEGZSA-N 0 0 428.532 4.327 50 0 IIAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)Nc1ccc(F)cc1Cl ZINC000067317915 569468469 /nfs/dbraw/zinc/46/84/69/569468469.db2.gz MUQRJVXBSDZETD-UHFFFAOYSA-N 0 0 438.846 4.360 50 0 IIAARN Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nnc2-c2cccnc2)cc1 ZINC000067321108 569468644 /nfs/dbraw/zinc/46/86/44/569468644.db2.gz YSSRSIBQDVJXBA-UHFFFAOYSA-N 0 0 426.505 4.167 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1cccc(Cl)c1 ZINC000067322281 569468668 /nfs/dbraw/zinc/46/86/68/569468668.db2.gz UNPCOFYWPXOLAW-UHFFFAOYSA-N 0 0 438.702 4.438 50 0 IIAARN Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)Cn3c4ccccc4oc3=O)nc21 ZINC000038840318 569469272 /nfs/dbraw/zinc/46/92/72/569469272.db2.gz IULNGYUPRYQTLB-MRXNPFEDSA-N 0 0 437.521 4.033 50 0 IIAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1 ZINC000008643821 569469609 /nfs/dbraw/zinc/46/96/09/569469609.db2.gz RFBLVMVMTRMEHL-IBGZPJMESA-N 0 0 439.821 4.073 50 0 IIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008710762 569470940 /nfs/dbraw/zinc/47/09/40/569470940.db2.gz UNAHXTPAIZCZIX-GOSISDBHSA-N 0 0 433.581 4.328 50 0 IIAARN CNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000008710913 569470980 /nfs/dbraw/zinc/47/09/80/569470980.db2.gz XXFVPKFBRFTXIZ-UHFFFAOYSA-N 0 0 443.532 4.464 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000008720154 569471470 /nfs/dbraw/zinc/47/14/70/569471470.db2.gz XODZHKJFZUNAMA-KSFYIVLOSA-N 0 0 443.569 4.019 50 0 IIAARN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008720279 569471611 /nfs/dbraw/zinc/47/16/11/569471611.db2.gz CKODXWXIOXBCGZ-UHFFFAOYSA-N 0 0 443.838 4.148 50 0 IIAARN COc1ccccc1NC(=O)Cc1noc(CSc2nccn2-c2cc(C)cc(C)c2)n1 ZINC000008725161 569472107 /nfs/dbraw/zinc/47/21/07/569472107.db2.gz KWNSEPFOHXHVDK-UHFFFAOYSA-N 0 0 449.536 4.354 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000008725560 569472182 /nfs/dbraw/zinc/47/21/82/569472182.db2.gz SJUGMGOODSNUMC-UHFFFAOYSA-N 0 0 445.475 4.390 50 0 IIAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2OC)cc1 ZINC000008725730 569472211 /nfs/dbraw/zinc/47/22/11/569472211.db2.gz LZQGKPQSGAZAIW-UHFFFAOYSA-N 0 0 441.505 4.333 50 0 IIAARN Cc1cc(Cl)ccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000008735911 569472669 /nfs/dbraw/zinc/47/26/69/569472669.db2.gz DNDMDFGTLDSPGR-UHFFFAOYSA-N 0 0 425.901 4.214 50 0 IIAARN COc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)cc1Br ZINC000008769289 569475051 /nfs/dbraw/zinc/47/50/51/569475051.db2.gz SHAWHYCAYWVETD-UHFFFAOYSA-N 0 0 440.344 4.489 50 0 IIAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C12CC3CC(CC(C3)C1)C2 ZINC000008777381 569475401 /nfs/dbraw/zinc/47/54/01/569475401.db2.gz YDNIIZDYBPYBQR-HDOKVFJDSA-N 0 0 449.572 4.399 50 0 IIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1 ZINC000008782130 569475757 /nfs/dbraw/zinc/47/57/57/569475757.db2.gz WVRHLJJSARPAIB-UHFFFAOYSA-N 0 0 432.394 4.301 50 0 IIAARN CCCCCN1CC(=O)N2C[C@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789185 569475924 /nfs/dbraw/zinc/47/59/24/569475924.db2.gz JRAKCTSMGHBYEI-HRFSGMKKSA-N 0 0 445.563 4.398 50 0 biogenic IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000008825106 569477272 /nfs/dbraw/zinc/47/72/72/569477272.db2.gz XUUGTOGXJMKKLL-UHFFFAOYSA-N 0 0 441.516 4.110 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1 ZINC000008825894 569477485 /nfs/dbraw/zinc/47/74/85/569477485.db2.gz OIXSRIIOMAXELI-INIZCTEOSA-N 0 0 432.480 4.096 50 0 IIAARN CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846108 569478993 /nfs/dbraw/zinc/47/89/93/569478993.db2.gz DPEXCOPAHSOUSZ-QHCPKHFHSA-N 0 0 442.471 4.346 50 0 IIAARN CCC(=O)n1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c(-c2ccc(F)cc2)n1 ZINC000008846336 569479030 /nfs/dbraw/zinc/47/90/30/569479030.db2.gz SFSQMRVEWGJMGC-RGVLZGJSSA-N 0 0 446.507 4.127 50 0 IIAARN Cc1cc(NC(=O)c2ccc(CSc3nnnn3C[C@H]3CCCO3)cc2)ccc1Cl ZINC000008851319 569479399 /nfs/dbraw/zinc/47/93/99/569479399.db2.gz MDHHRYOQACXQPY-GOSISDBHSA-N 0 0 443.960 4.359 50 0 IIAARN Cc1ccc(-n2nnnc2SCC(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000008860720 569479918 /nfs/dbraw/zinc/47/99/18/569479918.db2.gz FTRKDPCQKBWAPB-UHFFFAOYSA-N 0 0 429.549 4.277 50 0 IIAARN CC[C@@H]1CCc2sc(-c3nnc(SCc4nnnn4-c4ccccc4)n3C)cc2C1 ZINC000008860828 569479949 /nfs/dbraw/zinc/47/99/49/569479949.db2.gz TXBJOMZNCNRHMK-CQSZACIVSA-N 0 0 437.598 4.327 50 0 IIAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000008871969 569480898 /nfs/dbraw/zinc/48/08/98/569480898.db2.gz IWVCIYYTKFZSQL-UHFFFAOYSA-N 0 0 446.532 4.236 50 0 IIAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000008874777 569481017 /nfs/dbraw/zinc/48/10/17/569481017.db2.gz RPIVRQLZONHFEU-LFYBBSHMSA-N 0 0 425.535 4.354 50 0 IIAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000039548443 569481724 /nfs/dbraw/zinc/48/17/24/569481724.db2.gz KFJHJVXJKHUSHK-UHFFFAOYSA-N 0 0 433.411 4.341 50 0 IIAARN CCCCn1nnnc1CSc1nc2oc(C)c(C)c2c(NC(=O)c2ccccc2)n1 ZINC000039553977 569481729 /nfs/dbraw/zinc/48/17/29/569481729.db2.gz CNFPSIFTFCMAOD-UHFFFAOYSA-N 0 0 437.529 4.171 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc32)C1 ZINC000039546876 569481745 /nfs/dbraw/zinc/48/17/45/569481745.db2.gz VAMQQEOCWYBCRQ-HNNXBMFYSA-N 0 0 441.578 4.252 50 0 IIAARN CCOc1ccc(NC(=O)CSCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000040019939 569482709 /nfs/dbraw/zinc/48/27/09/569482709.db2.gz XUXRQYQDKQFQRZ-UHFFFAOYSA-N 0 0 444.948 4.121 50 0 IIAARN CC(=O)N[C@@H](CC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)c1cccs1 ZINC000040032335 569483079 /nfs/dbraw/zinc/48/30/79/569483079.db2.gz DXCWZYGQBWLICR-HNNXBMFYSA-N 0 0 443.550 4.039 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000040040159 569483371 /nfs/dbraw/zinc/48/33/71/569483371.db2.gz LWRXWLSEHXCWTF-NRFANRHFSA-N 0 0 440.297 4.380 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC000008893522 569483596 /nfs/dbraw/zinc/48/35/96/569483596.db2.gz AHQFKIIDZUQXCT-GDBMZVCRSA-N 0 0 434.993 4.489 50 0 IIAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1nc(C(C)C)no1 ZINC000040049434 569483862 /nfs/dbraw/zinc/48/38/62/569483862.db2.gz YHHGHJZSXBHGST-UHFFFAOYSA-N 0 0 449.602 4.030 50 0 IIAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1F ZINC000040050819 569484292 /nfs/dbraw/zinc/48/42/92/569484292.db2.gz AKWXIYIXPPFPAT-QFIPXVFZSA-N 0 0 428.467 4.331 50 0 IIAARN COCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008913297 569485271 /nfs/dbraw/zinc/48/52/71/569485271.db2.gz ORQBPOLLBPSTQL-UHFFFAOYSA-N 0 0 446.576 4.457 50 0 IIAARN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cn1 ZINC000040090818 569487448 /nfs/dbraw/zinc/48/74/48/569487448.db2.gz HILCAZCVHCDLLD-LJQANCHMSA-N 0 0 449.532 4.345 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008935730 569488061 /nfs/dbraw/zinc/48/80/61/569488061.db2.gz GXSMXQRMLVLEME-UHFFFAOYSA-N 0 0 425.916 4.293 50 0 IIAARN O=C(CSc1nnc(NC2CC2)s1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008937620 569488151 /nfs/dbraw/zinc/48/81/51/569488151.db2.gz SJFAAKGUXMLTSJ-UHFFFAOYSA-N 0 0 431.612 4.220 50 0 IIAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000040105398 569488210 /nfs/dbraw/zinc/48/82/10/569488210.db2.gz JYQQBASZDUITIR-UHFFFAOYSA-N 0 0 442.516 4.206 50 0 IIAARN COC(=O)c1cc(CN(C)C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)oc1C ZINC000040108645 569488542 /nfs/dbraw/zinc/48/85/42/569488542.db2.gz KKRPBIUDXUXKEQ-UHFFFAOYSA-N 0 0 447.491 4.182 50 0 IIAARN Cc1sc2nc(S[C@@H](C)c3nnnn3-c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000040127318 569489723 /nfs/dbraw/zinc/48/97/23/569489723.db2.gz NPYHICFCCDMHIN-AWEZNQCLSA-N 0 0 426.571 4.485 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)nn(-c3ccc(Cl)cc3)c1C)OCO2 ZINC000040129396 569489787 /nfs/dbraw/zinc/48/97/87/569489787.db2.gz NEWBXUICHWEFPP-UHFFFAOYSA-N 0 0 425.872 4.255 50 0 IIAARN O=c1ccccn1Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000040135020 569490607 /nfs/dbraw/zinc/49/06/07/569490607.db2.gz QCNODNMPMOWPAB-UHFFFAOYSA-N 0 0 442.846 4.370 50 0 IIAARN Cc1ccccc1Nc1nc(N)nc(CSCc2cc(Cl)cc3c2OCOC3)n1 ZINC000069070106 569490757 /nfs/dbraw/zinc/49/07/57/569490757.db2.gz OWCXDVNXOFFGKO-UHFFFAOYSA-N 0 0 429.933 4.459 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008965191 569491320 /nfs/dbraw/zinc/49/13/20/569491320.db2.gz FAGKMPAZFUWYAK-SFHVURJKSA-N 0 0 448.954 4.377 50 0 IIAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000008965192 569491322 /nfs/dbraw/zinc/49/13/22/569491322.db2.gz FAGKMPAZFUWYAK-GOSISDBHSA-N 0 0 448.954 4.377 50 0 IIAARN COc1ccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1Cl ZINC000008965171 569491327 /nfs/dbraw/zinc/49/13/27/569491327.db2.gz WPTPGZLDCSUISF-UHFFFAOYSA-N 0 0 436.899 4.105 50 0 IIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000040142839 569491920 /nfs/dbraw/zinc/49/19/20/569491920.db2.gz UFAYUXWRKXKPIY-UHFFFAOYSA-N 0 0 425.242 4.058 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000040145421 569492122 /nfs/dbraw/zinc/49/21/22/569492122.db2.gz OEJUFVSHMDPIRI-KRWDZBQOSA-N 0 0 448.894 4.404 50 0 IIAARN CC[C@@H](C)[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 ZINC000040146154 569492220 /nfs/dbraw/zinc/49/22/20/569492220.db2.gz GJQQTLQFKHWGGC-XCJZOPHNSA-N 0 0 436.600 4.489 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 ZINC000040146720 569492361 /nfs/dbraw/zinc/49/23/61/569492361.db2.gz BQYMTKRXGPDXDH-JOCHJYFZSA-N 0 0 449.555 4.388 50 0 IIAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008979370 569492988 /nfs/dbraw/zinc/49/29/88/569492988.db2.gz BXNGMYZAOOVBJH-FQEVSTJZSA-N 0 0 446.576 4.164 50 0 IIAARN COc1ccc2cc(CN(CC(N)=O)Cc3ccc(Br)cc3)c(Cl)nc2c1 ZINC000040152854 569493560 /nfs/dbraw/zinc/49/35/60/569493560.db2.gz QYZVWNLVDSIRDG-UHFFFAOYSA-N 0 0 448.748 4.147 50 0 IIAARN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1 ZINC000040153479 569493628 /nfs/dbraw/zinc/49/36/28/569493628.db2.gz JVOWZRFBYKYYJI-MRVPVSSYSA-N 0 0 432.137 4.030 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000040155144 569493875 /nfs/dbraw/zinc/49/38/75/569493875.db2.gz OWNDDEFGUHKZTM-UHFFFAOYSA-N 0 0 433.917 4.278 50 0 IIAARN CC(=O)Nc1cccc2c1CCN(Cn1nc(-c3ccc(Cl)cc3)n(C)c1=S)C2 ZINC000040155850 569494020 /nfs/dbraw/zinc/49/40/20/569494020.db2.gz IIHULXGXMBNQBF-UHFFFAOYSA-N 0 0 427.961 4.246 50 0 IIAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)c1 ZINC000040156154 569494086 /nfs/dbraw/zinc/49/40/86/569494086.db2.gz CVTBFCZKYDOWRK-YWZLYKJASA-N 0 0 428.558 4.232 50 0 IIAARN C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(COc3ccccc3)c2)C1=O ZINC000040157002 569494276 /nfs/dbraw/zinc/49/42/76/569494276.db2.gz JRDGNANAYRFJCF-LJQANCHMSA-N 0 0 430.504 4.086 50 0 IIAARN Cc1cc(=O)n2nc(C(F)(F)F)nc2n1CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000040159350 569494688 /nfs/dbraw/zinc/49/46/88/569494688.db2.gz LAJFTMIYSJPCSF-UHFFFAOYSA-N 0 0 435.450 4.104 50 0 IIAARN O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000008986214 569494857 /nfs/dbraw/zinc/49/48/57/569494857.db2.gz 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4.142 50 0 IIAARN CC(C)(C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012927964 519004261 /nfs/dbraw/zinc/00/42/61/519004261.db2.gz VJIJADRGAQVCCV-LBPRGKRZSA-N 0 0 444.384 4.028 50 0 IIAARN CC(C)C[C@H](C)NC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458398 519316931 /nfs/dbraw/zinc/31/69/31/519316931.db2.gz RBWVSQIMIDXNJJ-FDDCHVKYSA-N 0 0 433.552 4.002 50 0 IIAARN CC(C)Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000032950619 519459672 /nfs/dbraw/zinc/45/96/72/519459672.db2.gz QZGHQCDVBVHRSA-UHFFFAOYSA-N 0 0 432.977 4.309 50 0 IIAARN CC(=O)N(c1nc(CSc2nc(C)c(CC(N)=O)s2)cs1)c1ccccc1F ZINC000022487455 519479141 /nfs/dbraw/zinc/47/91/41/519479141.db2.gz XBOBJWOLHWZNSH-UHFFFAOYSA-N 0 0 436.559 4.052 50 0 IIAARN CC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CC1 ZINC000012912562 519480616 /nfs/dbraw/zinc/48/06/16/519480616.db2.gz MNTWIOAFMRPDDD-VIFPVBQESA-N 0 0 446.476 4.071 50 0 IIAARN CC(C)Cn1c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2c2ccsc2c1=O ZINC000035531785 519491592 /nfs/dbraw/zinc/49/15/92/519491592.db2.gz CDVGBOYOMMZMFS-UHFFFAOYSA-N 0 0 447.973 4.146 50 0 IIAARN CC(=O)N1C[C@@H](C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)Oc2ccccc21 ZINC000022503493 519635015 /nfs/dbraw/zinc/63/50/15/519635015.db2.gz XUEZQHUEGYGXGC-QHCPKHFHSA-N 0 0 435.476 4.082 50 0 IIAARN CC(C)CCN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000012898029 519651525 /nfs/dbraw/zinc/65/15/25/519651525.db2.gz MMGBXAWUWTXONV-UHFFFAOYSA-N 0 0 425.186 4.411 50 0 IIAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1Cl ZINC000021781072 519659859 /nfs/dbraw/zinc/65/98/59/519659859.db2.gz GNCNGDKFFJXVSW-XMMPIXPASA-N 0 0 438.959 4.267 50 0 IIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000021650324 519701940 /nfs/dbraw/zinc/70/19/40/519701940.db2.gz VACCURDVJIQFOG-UHFFFAOYSA-N 0 0 437.588 4.195 50 0 IIAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000021650371 519701966 /nfs/dbraw/zinc/70/19/66/519701966.db2.gz PGJBCSGHPZSZGS-SFHVURJKSA-N 0 0 445.567 4.233 50 0 IIAARN CC(C)NC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033114206 519717907 /nfs/dbraw/zinc/71/79/07/519717907.db2.gz AQJAPWAUGDAKBC-UHFFFAOYSA-N 0 0 430.917 4.161 50 0 IIAARN CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCc4ccccc4F)CC3)cc(C)c2c1 ZINC000021704314 519734995 /nfs/dbraw/zinc/73/49/95/519734995.db2.gz WHYLFBPEBVBMOU-UHFFFAOYSA-N 0 0 434.515 4.174 50 0 IIAARN CC(=O)Nc1ccc2nc(SCc3cc(=O)n4nc(C(C)C)sc4n3)sc2c1 ZINC000020983510 519735449 /nfs/dbraw/zinc/73/54/49/519735449.db2.gz OFLNPYXRAGNPQF-UHFFFAOYSA-N 0 0 431.568 4.135 50 0 IIAARN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000012382306 519749221 /nfs/dbraw/zinc/74/92/21/519749221.db2.gz PSFALUNYIVSHBF-UHFFFAOYSA-N 0 0 442.625 4.035 50 0 IIAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2s1 ZINC000021352878 519753198 /nfs/dbraw/zinc/75/31/98/519753198.db2.gz JJOGAYQOTRBKDX-UHFFFAOYSA-N 0 0 436.581 4.153 50 0 IIAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2s1 ZINC000021352769 519753260 /nfs/dbraw/zinc/75/32/60/519753260.db2.gz CRDBFIQNZRRWKV-UHFFFAOYSA-N 0 0 442.972 4.190 50 0 IIAARN CC(C)Oc1ccc(NC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 ZINC000012137318 519781143 /nfs/dbraw/zinc/78/11/43/519781143.db2.gz XLYOCGXBQXXIOD-UHFFFAOYSA-N 0 0 428.554 4.243 50 0 IIAARN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000012782384 519797657 /nfs/dbraw/zinc/79/76/57/519797657.db2.gz UNHBMVSQIJWNQK-KSFYIVLOSA-N 0 0 446.569 4.009 50 0 IIAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012691140 519820387 /nfs/dbraw/zinc/82/03/87/519820387.db2.gz HIKKFNKWKGXYHY-FQEVSTJZSA-N 0 0 437.569 4.126 50 0 IIAARN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(C(C)C)c2n1 ZINC000012784561 519832391 /nfs/dbraw/zinc/83/23/91/519832391.db2.gz RBIOTBIIVMRPFK-HNNXBMFYSA-N 0 0 428.558 4.030 50 0 IIAARN CCCC(=O)Nc1ccc2nc(SCc3cc(=O)n4nc(CC)sc4n3)sc2c1 ZINC000020983588 519879128 /nfs/dbraw/zinc/87/91/28/519879128.db2.gz KCZLGFXHGWQSEO-UHFFFAOYSA-N 0 0 445.595 4.354 50 0 IIAARN CC(C)c1nn2c(nc(CSc3ccccc3NC(=O)c3ccco3)cc2=O)s1 ZINC000020982903 519884093 /nfs/dbraw/zinc/88/40/93/519884093.db2.gz MZOOJDRMJXILSN-UHFFFAOYSA-N 0 0 426.523 4.412 50 0 IIAARN CCN(C(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1cccc(Cl)c1 ZINC000020574660 519908688 /nfs/dbraw/zinc/90/86/88/519908688.db2.gz IUIKVFGDKDMGNG-UHFFFAOYSA-N 0 0 440.862 4.287 50 0 IIAARN CCCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034905088 519935154 /nfs/dbraw/zinc/93/51/54/519935154.db2.gz PUAHBUYSBFWADT-RBUKOAKNSA-N 0 0 429.586 4.460 50 0 IIAARN CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1nc2ccccc2s1 ZINC000012796961 520023996 /nfs/dbraw/zinc/02/39/96/520023996.db2.gz AZFLKEFVSPFJNE-OAHLLOKOSA-N 0 0 449.623 4.120 50 0 IIAARN CC(C)n1ncc2cc(C(=O)Nc3ccnn3Cc3ccc(Br)cc3)cnc21 ZINC000014712191 520082688 /nfs/dbraw/zinc/08/26/88/520082688.db2.gz SQXBHARAYLRMTI-UHFFFAOYSA-N 0 0 439.317 4.272 50 0 IIAARN CCCCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000012869385 520179868 /nfs/dbraw/zinc/17/98/68/520179868.db2.gz SGGLOEQDPJXEGS-SQJMNOBHSA-N 0 0 431.536 4.052 50 0 biogenic IIAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000012808589 520335747 /nfs/dbraw/zinc/33/57/47/520335747.db2.gz QFNCJPKJDKHYMK-UHFFFAOYSA-N 0 0 425.916 4.011 50 0 IIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012781820 520352572 /nfs/dbraw/zinc/35/25/72/520352572.db2.gz YFGPZOKBCLCSNB-UHFFFAOYSA-N 0 0 434.327 4.420 50 0 IIAARN CCNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)s1 ZINC000021943447 520354958 /nfs/dbraw/zinc/35/49/58/520354958.db2.gz YUHWQFBVMIEAMN-UHFFFAOYSA-N 0 0 447.520 4.150 50 0 IIAARN CCOC(=O)C(=Cc1ccc(F)cc1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000012814559 520395063 /nfs/dbraw/zinc/39/50/63/520395063.db2.gz GFGJMJGEHHMCMT-PDGQHHTCSA-N 0 0 438.484 4.049 50 0 IIAARN CCOC(=O)C1=C(CN2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991207 520512749 /nfs/dbraw/zinc/51/27/49/520512749.db2.gz NHSDYGIVGMPOFP-LJQANCHMSA-N 0 0 440.371 4.383 50 0 IIAARN CCCCN(c1nc2nc(C)c(Cl)c(C)n2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021660106 520553472 /nfs/dbraw/zinc/55/34/72/520553472.db2.gz REPLUBJCPSJSFK-UHFFFAOYSA-N 0 0 428.345 4.043 50 0 IIAARN CCOC(=O)CCC(=O)N(Cc1cc(-c2cccc(OC)c2)on1)Cc1ccc(F)cc1 ZINC000034922282 520617441 /nfs/dbraw/zinc/61/74/41/520617441.db2.gz CUKHBWNLYFUTQU-UHFFFAOYSA-N 0 0 440.471 4.361 50 0 IIAARN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000022063755 520667043 /nfs/dbraw/zinc/66/70/43/520667043.db2.gz JABKNXUIKWARMX-LLVKDONJSA-N 0 0 431.341 4.418 50 0 IIAARN CCOc1cc(CN(C(=O)c2cc(OC)c3c(c2)OCCO3)C2CC2)ccc1OC(F)F ZINC000021558613 520692997 /nfs/dbraw/zinc/69/29/97/520692997.db2.gz WQVIWZSRXZTQFD-UHFFFAOYSA-N 0 0 449.450 4.271 50 0 IIAARN CCOc1cc(CN(C)Cc2nnc(SCCOc3ccccc3)n2C)ccc1OC ZINC000012035184 520694292 /nfs/dbraw/zinc/69/42/92/520694292.db2.gz UQHDPANLFGSWDK-UHFFFAOYSA-N 0 0 442.585 4.026 50 0 IIAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000012285153 520791306 /nfs/dbraw/zinc/79/13/06/520791306.db2.gz GSZPFRSXLZPCDY-UBFBPUDLSA-N 0 0 442.902 4.051 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000012548946 520791242 /nfs/dbraw/zinc/79/12/42/520791242.db2.gz RRTMSBXQRCQIMI-UHFFFAOYSA-N 0 0 445.368 4.350 50 0 IIAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000012441073 520808628 /nfs/dbraw/zinc/80/86/28/520808628.db2.gz VBBZZIFZHSMUCX-UHFFFAOYSA-N 0 0 441.915 4.390 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000012784411 520817266 /nfs/dbraw/zinc/81/72/66/520817266.db2.gz NVCFEFKXEAKZJL-UHFFFAOYSA-N 0 0 426.538 4.153 50 0 IIAARN CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000012415216 520825533 /nfs/dbraw/zinc/82/55/33/520825533.db2.gz PIXXFRODSRYERP-UHFFFAOYSA-N 0 0 427.526 4.012 50 0 IIAARN CCOc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000021939867 520829744 /nfs/dbraw/zinc/82/97/44/520829744.db2.gz XXKUGURXLSTOHF-INIZCTEOSA-N 0 0 447.944 4.357 50 0 IIAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OC ZINC000022258146 520858188 /nfs/dbraw/zinc/85/81/88/520858188.db2.gz AKMPRYXQMPHMQM-UYRXBGFRSA-N 0 0 441.940 4.207 50 0 IIAARN CCOc1ccc(C(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)cc1 ZINC000012415316 520889036 /nfs/dbraw/zinc/88/90/36/520889036.db2.gz KQGVJEXVGOSQIN-UHFFFAOYSA-N 0 0 445.338 4.369 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035448233 520917441 /nfs/dbraw/zinc/91/74/41/520917441.db2.gz NHOHQCIEORGMLV-UHFFFAOYSA-N 0 0 433.464 4.134 50 0 IIAARN CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(C)csc4n3)c2)cc1 ZINC000041085723 520919208 /nfs/dbraw/zinc/91/92/08/520919208.db2.gz WRRXHJOBZRRMDV-UHFFFAOYSA-N 0 0 435.505 4.294 50 0 IIAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022955825 520981459 /nfs/dbraw/zinc/98/14/59/520981459.db2.gz UJLZLCZCXWOAAS-UHFFFAOYSA-N 0 0 439.512 4.144 50 0 IIAARN CCOC(=O)Nc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000021533385 520995338 /nfs/dbraw/zinc/99/53/38/520995338.db2.gz PCOVDKOBIBNUAO-UHFFFAOYSA-N 0 0 436.434 4.021 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000001142298 521070333 /nfs/dbraw/zinc/07/03/33/521070333.db2.gz YTHARGILFVIZJY-UHFFFAOYSA-N 0 0 428.539 4.228 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3cccnc3)ccc2C)cc1 ZINC000021202262 521130753 /nfs/dbraw/zinc/13/07/53/521130753.db2.gz NUVXQTBGZNUYCK-UHFFFAOYSA-N 0 0 439.537 4.161 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)C(C)C)c2)cc1Br ZINC000012536142 521133266 /nfs/dbraw/zinc/13/32/66/521133266.db2.gz JXSNGRYGIANYRQ-UHFFFAOYSA-N 0 0 441.347 4.243 50 0 IIAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3)ccc21 ZINC000035514536 521155583 /nfs/dbraw/zinc/15/55/83/521155583.db2.gz SOYAFSLBPOQBQH-UHFFFAOYSA-N 0 0 440.547 4.010 50 0 IIAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000013006458 521170590 /nfs/dbraw/zinc/17/05/90/521170590.db2.gz NSAIUTOCKMTGAG-UHFFFAOYSA-N 0 0 425.453 4.351 50 0 IIAARN CCOc1ccc(OCCC(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000024766884 521171810 /nfs/dbraw/zinc/17/18/10/521171810.db2.gz BGQVBVLJKQIJSX-UHFFFAOYSA-N 0 0 438.446 4.360 50 0 IIAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(C)ccc1C)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065166979 521219640 /nfs/dbraw/zinc/21/96/40/521219640.db2.gz ZROQMFOKVJTSNM-XMMPIXPASA-N 0 0 447.579 4.232 50 0 IIAARN CCC(=O)c1ccc(OC[C@H](O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000012788220 521249858 /nfs/dbraw/zinc/24/98/58/521249858.db2.gz MUXBKLYPDZGDOK-OAQYLSRUSA-N 0 0 442.515 4.405 50 0 IIAARN CCOc1ccc2nc(NC(=O)CSc3nncn3-c3ccc(OC)cc3)sc2c1 ZINC000012631783 521303352 /nfs/dbraw/zinc/30/33/52/521303352.db2.gz HJIWYRDVQWUYFZ-UHFFFAOYSA-N 0 0 441.538 4.015 50 0 IIAARN CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000016086673 521332125 /nfs/dbraw/zinc/33/21/25/521332125.db2.gz QDWRPVBLMHGGGB-UHFFFAOYSA-N 0 0 446.750 4.085 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000012576169 521356696 /nfs/dbraw/zinc/35/66/96/521356696.db2.gz LUBSOCZOVZAJFA-VWLOTQADSA-N 0 0 440.540 4.432 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)C2CCCC2)c1C ZINC000036004305 521365592 /nfs/dbraw/zinc/36/55/92/521365592.db2.gz FXZILTQQHHIUIO-SFHVURJKSA-N 0 0 439.556 4.036 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000020494707 521369871 /nfs/dbraw/zinc/36/98/71/521369871.db2.gz MHDXUMMTFHBYOU-IRXDYDNUSA-N 0 0 430.570 4.338 50 0 IIAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CN1CCN(C)CC1 ZINC000022804173 521370630 /nfs/dbraw/zinc/37/06/30/521370630.db2.gz FQXCPKGLVHSAEQ-UHFFFAOYSA-N 0 0 443.613 4.075 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc3ccccc3c2)C2CC2)c(C)n1C ZINC000035868628 521385416 /nfs/dbraw/zinc/38/54/16/521385416.db2.gz GBFAHDMWFCMFRK-UHFFFAOYSA-N 0 0 432.520 4.459 50 0 IIAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@@H](C)Cn1ccc(C(F)(F)F)n1 ZINC000036616539 521396617 /nfs/dbraw/zinc/39/66/17/521396617.db2.gz SRRCKEZKGGTKBO-ZDUSSCGKSA-N 0 0 448.493 4.451 50 0 IIAARN CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(C)c1-c1ccc(C)cc1 ZINC000012624206 521409294 /nfs/dbraw/zinc/40/92/94/521409294.db2.gz UNCJIPBPSPWZPF-HZPDHXFCSA-N 0 0 430.570 4.256 50 0 IIAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)C1CCCC1 ZINC000036039640 521433271 /nfs/dbraw/zinc/43/32/71/521433271.db2.gz MNKRZDPIGWKXNK-UHFFFAOYSA-N 0 0 445.629 4.360 50 0 IIAARN CCOc1ccccc1-n1c2nc(-c3cn(C)nc3C)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604222 521445882 /nfs/dbraw/zinc/44/58/82/521445882.db2.gz CDBLFWXPWCDISJ-UHFFFAOYSA-N 0 0 443.479 4.489 50 0 IIAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cc(C)cc(C)c1C ZINC000012843403 521446673 /nfs/dbraw/zinc/44/66/73/521446673.db2.gz BBESFWHWNAIKQE-UHFFFAOYSA-N 0 0 439.512 4.107 50 0 IIAARN CCOc1ccccc1-n1c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604311 521446790 /nfs/dbraw/zinc/44/67/90/521446790.db2.gz QPHFRJBGKCLWMM-UHFFFAOYSA-N 0 0 447.442 4.261 50 0 IIAARN CCC(CC)C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)COC)ccc1N(C)C ZINC000035946189 521485864 /nfs/dbraw/zinc/48/58/64/521485864.db2.gz MPUJBNFUORFMFQ-UHFFFAOYSA-N 0 0 443.563 4.442 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sc(C)nc2C)c1 ZINC000032976258 521500623 /nfs/dbraw/zinc/50/06/23/521500623.db2.gz TYMYUOPHVQBXRW-UHFFFAOYSA-N 0 0 445.566 4.236 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)n2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 ZINC000020464152 521508794 /nfs/dbraw/zinc/50/87/94/521508794.db2.gz NSQVTLCYOORUSW-JOCHJYFZSA-N 0 0 433.508 4.294 50 0 IIAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(N(C)C)cc1)n2CC ZINC000012604111 521532329 /nfs/dbraw/zinc/53/23/29/521532329.db2.gz DXYSDMFDKJZJEI-UHFFFAOYSA-N 0 0 426.542 4.030 50 0 IIAARN CCOc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391055 521533864 /nfs/dbraw/zinc/53/38/64/521533864.db2.gz XCDZLNGCKHXCHT-KRWDZBQOSA-N 0 0 436.961 4.311 50 0 IIAARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000035767720 521533819 /nfs/dbraw/zinc/53/38/19/521533819.db2.gz KPIIDJAWMLJEKD-UHFFFAOYSA-N 0 0 438.499 4.265 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000017306666 521538274 /nfs/dbraw/zinc/53/82/74/521538274.db2.gz XWWJTGCDWZYRJH-UHFFFAOYSA-N 0 0 432.505 4.304 50 0 IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)c3ccccc3)c2)C(C(=O)OC(C)C)=C1C ZINC000016609905 521541169 /nfs/dbraw/zinc/54/11/69/521541169.db2.gz CPFZQMSNICBCCH-OAQYLSRUSA-N 0 0 437.565 4.416 50 0 IIAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035925397 521541407 /nfs/dbraw/zinc/54/14/07/521541407.db2.gz SEXCXSNZMPPBRA-UHFFFAOYSA-N 0 0 440.551 4.039 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)c1 ZINC000035377551 521544390 /nfs/dbraw/zinc/54/43/90/521544390.db2.gz HMUPQLDQXHGDOR-UHFFFAOYSA-N 0 0 448.450 4.180 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000020445860 521572853 /nfs/dbraw/zinc/57/28/53/521572853.db2.gz WSQLIVDOGCTSDP-RTBURBONSA-N 0 0 443.960 4.290 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000020445754 521573141 /nfs/dbraw/zinc/57/31/41/521573141.db2.gz DVYIZWGHIZKEKR-WOJBJXKFSA-N 0 0 425.533 4.384 50 0 IIAARN CCOC(=O)c1csc(-n2nc(-c3cccc(OC(C)=O)c3)cc2C(F)(F)F)n1 ZINC000001415768 521587035 /nfs/dbraw/zinc/58/70/35/521587035.db2.gz ZNJCXKLDWZOXAG-UHFFFAOYSA-N 0 0 425.388 4.117 50 0 IIAARN CCOC(=O)c1sc(NC(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)cc1C ZINC000065475386 521613268 /nfs/dbraw/zinc/61/32/68/521613268.db2.gz MODDSONLXJNUHX-UHFFFAOYSA-N 0 0 434.514 4.210 50 0 IIAARN CCCn1c(=O)c2snc(-c3ccccc3)c2nc1SCC(=O)NC1CCCCC1 ZINC000033300204 521618313 /nfs/dbraw/zinc/61/83/13/521618313.db2.gz SHAQDNYZYQVYLQ-UHFFFAOYSA-N 0 0 442.610 4.471 50 0 IIAARN CCCN(CCC(=O)NCCOC)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036000649 521628513 /nfs/dbraw/zinc/62/85/13/521628513.db2.gz AHJDNZXRBFSASM-UHFFFAOYSA-N 0 0 426.948 4.319 50 0 IIAARN CCCN(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)C(=O)c1ccccc1F ZINC000035700729 521630250 /nfs/dbraw/zinc/63/02/50/521630250.db2.gz ARAGBNABTZPPGX-UHFFFAOYSA-N 0 0 442.516 4.234 50 0 IIAARN CCCN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036032067 521692988 /nfs/dbraw/zinc/69/29/88/521692988.db2.gz RTBBHPBZRUNRSX-UHFFFAOYSA-N 0 0 432.567 4.332 50 0 IIAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2nc(C)sc2C)n1CCc1ccccc1 ZINC000012433368 521694354 /nfs/dbraw/zinc/69/43/54/521694354.db2.gz IYWOUKLQRJMQTC-MRXNPFEDSA-N 0 0 446.642 4.186 50 0 IIAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000035767731 521704770 /nfs/dbraw/zinc/70/47/70/521704770.db2.gz ZXBKRXPYYIBUFD-UHFFFAOYSA-N 0 0 432.536 4.249 50 0 IIAARN COCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037385428 521751347 /nfs/dbraw/zinc/75/13/47/521751347.db2.gz YVRAIYOJQZFQPL-UHFFFAOYSA-N 0 0 438.528 4.343 50 0 IIAARN COC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc2c1CCCCC2 ZINC000019643952 521772993 /nfs/dbraw/zinc/77/29/93/521772993.db2.gz YWDLEVHDKZEBAL-UHFFFAOYSA-N 0 0 445.610 4.028 50 0 IIAARN CCc1cccc2c(C(=O)CSc3nnc(CN4CCCCCC4=O)n3CC)c[nH]c21 ZINC000008862273 521787094 /nfs/dbraw/zinc/78/70/94/521787094.db2.gz QPNMEARGKLLRLM-UHFFFAOYSA-N 0 0 439.585 4.219 50 0 IIAARN CCc1cccc2c([C@H](CC(=O)NCCCN3CCOCC3)c3ccccc3OC)c[nH]c21 ZINC000035908368 521795042 /nfs/dbraw/zinc/79/50/42/521795042.db2.gz WDRVVXIUTRQZST-HSZRJFAPSA-N 0 0 449.595 4.099 50 0 IIAARN COC(=O)c1cc(CNC(=O)C2CCC2)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000014990560 521846852 /nfs/dbraw/zinc/84/68/52/521846852.db2.gz IRXIINWDQXEFLK-UHFFFAOYSA-N 0 0 434.414 4.161 50 0 IIAARN CNC(=O)c1ccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc1 ZINC000012608865 521847905 /nfs/dbraw/zinc/84/79/05/521847905.db2.gz XIFORZYNLJMSRF-HXUWFJFHSA-N 0 0 442.475 4.175 50 0 IIAARN CCc1ccccc1N1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O ZINC000021658159 521853091 /nfs/dbraw/zinc/85/30/91/521853091.db2.gz AFRMRWALFYLTRK-UHFFFAOYSA-N 0 0 436.489 4.313 50 0 IIAARN COC(=O)c1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)ccc1OC ZINC000012870206 521855072 /nfs/dbraw/zinc/85/50/72/521855072.db2.gz JDPUKOIGTWGHJP-UHFFFAOYSA-N 0 0 449.438 4.063 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(F)cc1F)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563396 521867298 /nfs/dbraw/zinc/86/72/98/521867298.db2.gz KMWLBTZTMCPOKQ-IBGZPJMESA-N 0 0 437.450 4.067 50 0 IIAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1 ZINC000012802328 521869203 /nfs/dbraw/zinc/86/92/03/521869203.db2.gz JNFQUKLPWUNVKF-ZHACJKMWSA-N 0 0 446.378 4.352 50 0 IIAARN COc1cc(-c2n[nH]cc2CN(C)Cc2nc3cc(Cl)ccc3[nH]2)cc(OC)c1OC ZINC000012302004 521900753 /nfs/dbraw/zinc/90/07/53/521900753.db2.gz ONYAPSFNDMSXBQ-UHFFFAOYSA-N 0 0 441.919 4.264 50 0 IIAARN CCc1ccccc1OCC(=O)Nc1ccc(C)cc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035378674 521920526 /nfs/dbraw/zinc/92/05/26/521920526.db2.gz BYAJZSPZEBZKFJ-UHFFFAOYSA-N 0 0 447.491 4.063 50 0 IIAARN COc1cc(/C=C/C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc(OC)c1OC ZINC000012877187 521931143 /nfs/dbraw/zinc/93/11/43/521931143.db2.gz HBSHGNARBVZNGY-REXAPNPKSA-N 0 0 441.524 4.400 50 0 IIAARN COC(=O)c1ccc(C(=O)N2CCC(n3c4cc(C(C)(C)C)ccc4oc3=O)CC2)cc1 ZINC000022660619 521949251 /nfs/dbraw/zinc/94/92/51/521949251.db2.gz QCOOUVHUUQELRW-UHFFFAOYSA-N 0 0 436.508 4.156 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC000014663545 521986924 /nfs/dbraw/zinc/98/69/24/521986924.db2.gz XJXRAKCUQJZFGL-HDICACEKSA-N 0 0 438.524 4.202 50 0 IIAARN CN(C)[C@@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl ZINC000012910283 522013172 /nfs/dbraw/zinc/01/31/72/522013172.db2.gz CENNOSCRNMMDKQ-INIZCTEOSA-N 0 0 429.717 4.040 50 0 IIAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCC1 ZINC000033025532 522062912 /nfs/dbraw/zinc/06/29/12/522062912.db2.gz BJHWNFUWTAIAAL-UHFFFAOYSA-N 0 0 441.919 4.351 50 0 IIAARN CN(C)[C@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl ZINC000012910288 522072654 /nfs/dbraw/zinc/07/26/54/522072654.db2.gz CENNOSCRNMMDKQ-MRXNPFEDSA-N 0 0 429.717 4.040 50 0 IIAARN COCCn1c2ccccc2nc1SCC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000020972430 522074533 /nfs/dbraw/zinc/07/45/33/522074533.db2.gz RKQUJEFPANTBJD-UHFFFAOYSA-N 0 0 428.539 4.032 50 0 IIAARN CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(OC)cc1 ZINC000012654726 522104381 /nfs/dbraw/zinc/10/43/81/522104381.db2.gz CRXFATZSZXURNG-CQSZACIVSA-N 0 0 435.933 4.388 50 0 IIAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCCC[C@H]3C)c21 ZINC000012247734 522138170 /nfs/dbraw/zinc/13/81/70/522138170.db2.gz GSHLJUHVRHWLTH-QGZVFWFLSA-N 0 0 426.561 4.216 50 0 IIAARN CN(C)c1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000035528170 522142527 /nfs/dbraw/zinc/14/25/27/522142527.db2.gz BWZBFCMBFCJWTJ-UHFFFAOYSA-N 0 0 449.595 4.310 50 0 IIAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000012506614 522175849 /nfs/dbraw/zinc/17/58/49/522175849.db2.gz PWSIFDIWUJUOIU-FQEVSTJZSA-N 0 0 446.503 4.266 50 0 IIAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021661759 522199276 /nfs/dbraw/zinc/19/92/76/522199276.db2.gz LPJYSBVCIOLTSH-QRWLVFNGSA-N 0 0 427.932 4.112 50 0 IIAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccc(F)cc1)S(C)(=O)=O ZINC000035947467 522222143 /nfs/dbraw/zinc/22/21/43/522222143.db2.gz VESSZAWVOSVMGQ-UHFFFAOYSA-N 0 0 449.592 4.228 50 0 IIAARN CN(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000012306123 522257324 /nfs/dbraw/zinc/25/73/24/522257324.db2.gz URTJMHAMGWCYJP-GOSISDBHSA-N 0 0 427.976 4.355 50 0 IIAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676897 522270293 /nfs/dbraw/zinc/27/02/93/522270293.db2.gz QSYKRZBPXADNTG-UHFFFAOYSA-N 0 0 428.492 4.129 50 0 IIAARN CCc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)nc(N)c1-c1ccc(Cl)cc1 ZINC000012539995 522410780 /nfs/dbraw/zinc/41/07/80/522410780.db2.gz DCESJJUQQPGXOG-UHFFFAOYSA-N 0 0 442.928 4.401 50 0 IIAARN COc1cc(CNC(=O)NCCc2ccc(Br)s2)ccc1OC(F)F ZINC000022878456 522422604 /nfs/dbraw/zinc/42/26/04/522422604.db2.gz SVOHMYGEGGNMRE-UHFFFAOYSA-N 0 0 435.290 4.163 50 0 IIAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2cccc(OC)c2)n1 ZINC000036002882 522440803 /nfs/dbraw/zinc/44/08/03/522440803.db2.gz CTYQMSYWLINYQY-QGZVFWFLSA-N 0 0 444.539 4.180 50 0 IIAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)c1cccc(F)c1 ZINC000035961592 522452426 /nfs/dbraw/zinc/45/24/26/522452426.db2.gz JLUKIRGKINFLSL-FQEVSTJZSA-N 0 0 439.487 4.476 50 0 IIAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COc1ccc(F)cc1F ZINC000024981275 522503136 /nfs/dbraw/zinc/50/31/36/522503136.db2.gz STYIELYKKBYJIM-UHFFFAOYSA-N 0 0 436.764 4.113 50 0 IIAARN COc1cc(Cl)c(CN2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1OC ZINC000012582592 522519937 /nfs/dbraw/zinc/51/99/37/522519937.db2.gz ZGUMIQVDDKJTDA-QFIPXVFZSA-N 0 0 425.903 4.453 50 0 IIAARN CN(CC(=O)Nc1ccccc1OC(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000240871474 522520917 /nfs/dbraw/zinc/52/09/17/522520917.db2.gz IKVIVPYVYSTGPV-CRAIPNDOSA-N 0 0 431.266 4.123 50 0 IIAARN COCC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000035944506 522736534 /nfs/dbraw/zinc/73/65/34/522736534.db2.gz SMLNOJWIUNVJMO-UHFFFAOYSA-N 0 0 449.526 4.319 50 0 IIAARN CN(CCCNC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)c1ccccc1 ZINC000035398623 522756213 /nfs/dbraw/zinc/75/62/13/522756213.db2.gz FMPUJODEJWKICB-UHFFFAOYSA-N 0 0 447.558 4.142 50 0 IIAARN COc1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000012605145 522758091 /nfs/dbraw/zinc/75/80/91/522758091.db2.gz BJXUALQZKHGXQQ-UHFFFAOYSA-N 0 0 425.812 4.185 50 0 IIAARN COCC(=O)Nc1cc(C(=O)N(C)Cc2ccsc2)cc2nc(-c3ccccc3)n(C)c21 ZINC000012244575 522780072 /nfs/dbraw/zinc/78/00/72/522780072.db2.gz WDKKVFUDBLGLCT-UHFFFAOYSA-N 0 0 448.548 4.159 50 0 IIAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012137633 522880678 /nfs/dbraw/zinc/88/06/78/522880678.db2.gz PXLHDTXNBOCCAA-QHCPKHFHSA-N 0 0 438.549 4.270 50 0 IIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035448207 522888295 /nfs/dbraw/zinc/88/82/95/522888295.db2.gz XUEQXZOVMHYAOU-NRFANRHFSA-N 0 0 447.491 4.279 50 0 IIAARN COC(=O)C1=C(NCCc2c[nH]c3ccccc23)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1 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447.510 4.008 50 0 IIAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cnc(C)cn2)c1OC ZINC000012835543 524136419 /nfs/dbraw/zinc/13/64/19/524136419.db2.gz BDGIKKUKKALYTC-HSZRJFAPSA-N 0 0 428.492 4.071 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 ZINC000021861089 524140955 /nfs/dbraw/zinc/14/09/55/524140955.db2.gz WFMSRGCGUHRGLR-OWWOZPERSA-N 0 0 448.542 4.285 50 0 IIAARN Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c2-n2cccc2)c1 ZINC000020980055 524146412 /nfs/dbraw/zinc/14/64/12/524146412.db2.gz GNSYFRYIMLYRBA-UHFFFAOYSA-N 0 0 429.499 4.073 50 0 IIAARN COc1cccc([C@H](CC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)n2cccc2)c1 ZINC000020998454 524159185 /nfs/dbraw/zinc/15/91/85/524159185.db2.gz JBPUEMMUQMXVAX-VWLOTQADSA-N 0 0 431.536 4.028 50 0 IIAARN Cc1ccc(C)c(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000023039020 524165875 /nfs/dbraw/zinc/16/58/75/524165875.db2.gz IPMBGFGTAKYDLS-UHFFFAOYSA-N 0 0 427.854 4.098 50 0 IIAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)nn2C)c1OC ZINC000012206663 524188674 /nfs/dbraw/zinc/18/86/74/524188674.db2.gz XRUFFTSHTSDSEX-QHCPKHFHSA-N 0 0 430.508 4.015 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596919 524193894 /nfs/dbraw/zinc/19/38/94/524193894.db2.gz QBKZRWXXCUTCRZ-AWEZNQCLSA-N 0 0 441.871 4.147 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000012317721 524222647 /nfs/dbraw/zinc/22/26/47/524222647.db2.gz IIYOHQMWZKMQQP-MRXNPFEDSA-N 0 0 440.931 4.267 50 0 IIAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)Nc2ccncc2)cc1OC ZINC000012606035 524227938 /nfs/dbraw/zinc/22/79/38/524227938.db2.gz AMKXTUAGCAABND-UHFFFAOYSA-N 0 0 441.871 4.022 50 0 IIAARN COc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)nn1 ZINC000022493163 524269572 /nfs/dbraw/zinc/26/95/72/524269572.db2.gz VVYRAUOTHXQYNI-SFHVURJKSA-N 0 0 428.536 4.346 50 0 IIAARN COc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)nn1 ZINC000022493166 524270766 /nfs/dbraw/zinc/27/07/66/524270766.db2.gz VVYRAUOTHXQYNI-GOSISDBHSA-N 0 0 428.536 4.346 50 0 IIAARN COc1ccccc1-c1cn2c(C(=O)N(C)Cc3[nH]nc4c3CCCCC4)csc2n1 ZINC000012314069 524273574 /nfs/dbraw/zinc/27/35/74/524273574.db2.gz RLOOTWBYSDWZTD-UHFFFAOYSA-N 0 0 435.553 4.336 50 0 IIAARN Cc1cccc(C)c1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CC(C)C ZINC000035531898 524282487 /nfs/dbraw/zinc/28/24/87/524282487.db2.gz KCLTYCKCUXOWBC-UHFFFAOYSA-N 0 0 441.582 4.109 50 0 IIAARN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c(C)c1 ZINC000010186696 524290870 /nfs/dbraw/zinc/29/08/70/524290870.db2.gz BBTKYUUFZVIRAV-UHFFFAOYSA-N 0 0 448.592 4.221 50 0 IIAARN Cc1cccc(C)c1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n21 ZINC000021885418 524304130 /nfs/dbraw/zinc/30/41/30/524304130.db2.gz YVAAGKCKFPYTOM-UHFFFAOYSA-N 0 0 440.912 4.053 50 0 IIAARN Cc1cc(C)c(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c(C)c1 ZINC000032949543 524320398 /nfs/dbraw/zinc/32/03/98/524320398.db2.gz LJKZSWCPJXSHID-UHFFFAOYSA-N 0 0 438.528 4.141 50 0 IIAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCCc3ccccc3)cc2NC1=O ZINC000032983684 524321933 /nfs/dbraw/zinc/32/19/33/524321933.db2.gz MQKITOPHKFLSFD-ULJHMMPZSA-N 0 0 428.488 4.430 50 0 biogenic IIAARN COc1ccccc1C(=O)N(Cc1cccnc1)Cc1ccc(O[C@H]2CCOC2)c(OC)c1 ZINC000012165243 524339751 /nfs/dbraw/zinc/33/97/51/524339751.db2.gz VBVNHETXESZNEP-NRFANRHFSA-N 0 0 448.519 4.109 50 0 IIAARN Cc1cc(C)c2c(=O)n(Cc3cccc(C(F)(F)F)c3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446401 524342142 /nfs/dbraw/zinc/34/21/42/524342142.db2.gz NIBSIVBYBGEKNA-UHFFFAOYSA-N 0 0 425.410 4.231 50 0 IIAARN Cc1cc(C)cc(-n2c(S[C@@H]3CCOC3=O)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000012820679 524356050 /nfs/dbraw/zinc/35/60/50/524356050.db2.gz FVAUBFQEWZHTGF-QGZVFWFLSA-N 0 0 426.563 4.350 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(CCc1ccc(F)cc1)C(=O)CO2 ZINC000035909454 524358247 /nfs/dbraw/zinc/35/82/47/524358247.db2.gz JIDROVPOGGBLRQ-UHFFFAOYSA-N 0 0 434.467 4.050 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862639 524432145 /nfs/dbraw/zinc/43/21/45/524432145.db2.gz SGAZXZASGICXTO-MHZLTWQESA-N 0 0 444.579 4.220 50 0 IIAARN Cc1cc(C)cc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)c1 ZINC000015974118 524434340 /nfs/dbraw/zinc/43/43/40/524434340.db2.gz UCQRIQSIKJGRDE-LCUIJRPUSA-N 0 0 447.516 4.096 50 0 IIAARN Cc1cc(C)cc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016903668 524453366 /nfs/dbraw/zinc/45/33/66/524453366.db2.gz UCWDPWGUYZPGIX-PMACEKPBSA-N 0 0 435.568 4.207 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)C)C(C)C)n2CC(C)C)c1 ZINC000036040480 524454149 /nfs/dbraw/zinc/45/41/49/524454149.db2.gz JPIDLXFSDJNZMD-UHFFFAOYSA-N 0 0 448.633 4.150 50 0 IIAARN Cc1cccc(Cc2cnc(NC(=O)CN3c4ccccc4OCCC3=O)s2)c1Cl ZINC000012792908 524472084 /nfs/dbraw/zinc/47/20/84/524472084.db2.gz LZEOVQKSIGUSHP-UHFFFAOYSA-N 0 0 441.940 4.450 50 0 IIAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012911609 524472307 /nfs/dbraw/zinc/47/23/07/524472307.db2.gz RATUVOWJCHPVDB-MRXNPFEDSA-N 0 0 443.565 4.264 50 0 IIAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCC(C)C ZINC000021858943 524479746 /nfs/dbraw/zinc/47/97/46/524479746.db2.gz YTXCCQNKQPXTQM-SANMLTNESA-N 0 0 433.552 4.227 50 0 IIAARN Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000035531246 524493661 /nfs/dbraw/zinc/49/36/61/524493661.db2.gz HGHGXUUSOKRLRZ-UHFFFAOYSA-N 0 0 442.625 4.400 50 0 IIAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)N(C)Cc2ccco2)cc1OC ZINC000022621721 524507472 /nfs/dbraw/zinc/50/74/72/524507472.db2.gz MBYCNGYJISJYQZ-UHFFFAOYSA-N 0 0 440.521 4.300 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(C(C)C)cc4)ccc3=O)CC2)c1 ZINC000041253370 524545170 /nfs/dbraw/zinc/54/51/70/524545170.db2.gz FFLBNMZFAYPZTH-UHFFFAOYSA-N 0 0 444.579 4.081 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2sc(-c3c(F)cccc3OC)nc2C)CC1 ZINC000012324174 524553843 /nfs/dbraw/zinc/55/38/43/524553843.db2.gz SUXRSEGVARCQEG-UHFFFAOYSA-N 0 0 441.528 4.237 50 0 IIAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NC(C)C)[C@H]2C1 ZINC000035907829 524565427 /nfs/dbraw/zinc/56/54/27/524565427.db2.gz MDKRNMHJMDXABL-WIYYLYMNSA-N 0 0 447.501 4.106 50 0 IIAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccc(-n2cccc2)c1 ZINC000012557602 524592983 /nfs/dbraw/zinc/59/29/83/524592983.db2.gz RSPXCALVBKCHAI-UHFFFAOYSA-N 0 0 429.476 4.360 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1OC ZINC000012872401 524592990 /nfs/dbraw/zinc/59/29/90/524592990.db2.gz JEGRRSJLFOANDD-QGZVFWFLSA-N 0 0 448.519 4.357 50 0 IIAARN COc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Br)cc12 ZINC000035289272 524599486 /nfs/dbraw/zinc/59/94/86/524599486.db2.gz AHTWHINIWJDYFB-UHFFFAOYSA-N 0 0 444.314 4.008 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 ZINC000021156964 524617510 /nfs/dbraw/zinc/61/75/10/524617510.db2.gz ALQLVBWWJOVGMB-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000012195442 524618065 /nfs/dbraw/zinc/61/80/65/524618065.db2.gz PMYIBQNYSJNDEW-UHFFFAOYSA-N 0 0 425.533 4.280 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2cccn2C)cc1 ZINC000021857861 524625107 /nfs/dbraw/zinc/62/51/07/524625107.db2.gz NOAQCCGQBISMRU-QFIPXVFZSA-N 0 0 432.524 4.062 50 0 IIAARN Cc1ccc(CS(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022767564 524638373 /nfs/dbraw/zinc/63/83/73/524638373.db2.gz ZRSOVJXWXPBVKY-QHCPKHFHSA-N 0 0 426.607 4.276 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000021660499 524653989 /nfs/dbraw/zinc/65/39/89/524653989.db2.gz JUWFNTSSEDATRN-UHFFFAOYSA-N 0 0 427.386 4.379 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012547478 524671019 /nfs/dbraw/zinc/67/10/19/524671019.db2.gz GELQGFBVDULZAJ-UHFFFAOYSA-N 0 0 430.464 4.133 50 0 IIAARN COc1ccc(NC(NC(=O)c2cccs2)(C(F)(F)F)C(F)(F)F)c(OC)c1 ZINC000012420051 524675338 /nfs/dbraw/zinc/67/53/38/524675338.db2.gz DRRNJXLHFOAJGX-UHFFFAOYSA-N 0 0 428.354 4.428 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2C)cc1 ZINC000012216187 524686919 /nfs/dbraw/zinc/68/69/19/524686919.db2.gz XFOYZKRPGGWEEW-UHFFFAOYSA-N 0 0 442.562 4.064 50 0 IIAARN COc1ccc(N[C@H]2CCCN(C(=O)c3cccc(-n4nc(C)cc4C)c3)C2)cc1OC ZINC000011937023 524711135 /nfs/dbraw/zinc/71/11/35/524711135.db2.gz KAUNVANASZJPIL-NRFANRHFSA-N 0 0 434.540 4.223 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NC4CCCC4)C3)c2=O)cc1 ZINC000022599568 524770441 /nfs/dbraw/zinc/77/04/41/524770441.db2.gz KOLPCOAFEYJDPA-NRFANRHFSA-N 0 0 444.579 4.028 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCCc3cccs3)c2=O)cc1 ZINC000033006858 524770492 /nfs/dbraw/zinc/77/04/92/524770492.db2.gz DCBVOAIYNDXXPO-UHFFFAOYSA-N 0 0 449.601 4.266 50 0 IIAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccccc3C(=O)N2)c1 ZINC000012537708 524795581 /nfs/dbraw/zinc/79/55/81/524795581.db2.gz SDRWOTNKRWCDIF-XMMPIXPASA-N 0 0 426.476 4.411 50 0 IIAARN COc1ccc(OC)c(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)c1 ZINC000012706046 524803177 /nfs/dbraw/zinc/80/31/77/524803177.db2.gz GZZNVJNVRIYCOI-LCUIJRPUSA-N 0 0 434.448 4.214 50 0 IIAARN C[C@H]1C[C@H](C)CN(c2cc(SCC(=O)Nc3ccc(Br)cc3)ncn2)C1 ZINC000049006739 524887050 /nfs/dbraw/zinc/88/70/50/524887050.db2.gz VKOAQGKRDGEZOS-KBPBESRZSA-N 0 0 435.391 4.452 50 0 IIAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c1 ZINC000016177649 524903579 /nfs/dbraw/zinc/90/35/79/524903579.db2.gz OCSBWWNMMNDYHL-INIZCTEOSA-N 0 0 435.524 4.021 50 0 IIAARN C[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccccc1Br ZINC000022192644 524911587 /nfs/dbraw/zinc/91/15/87/524911587.db2.gz AGVJHZXTKNCZIP-NSHDSACASA-N 0 0 437.256 4.037 50 0 IIAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000012386773 524925900 /nfs/dbraw/zinc/92/59/00/524925900.db2.gz OGPCAAPBIGIPLJ-MRXNPFEDSA-N 0 0 440.515 4.105 50 0 IIAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862716 524931221 /nfs/dbraw/zinc/93/12/21/524931221.db2.gz AJVNZZGWJIWXPU-SANMLTNESA-N 0 0 430.552 4.225 50 0 IIAARN C[C@H](NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2)C12CC3CC(CC(C3)C1)C2 ZINC000012631891 524966251 /nfs/dbraw/zinc/96/62/51/524966251.db2.gz AQXCDNTZIPKZHE-BTVKBFDZSA-N 0 0 441.568 4.043 50 0 IIAARN COc1ccc(OC[C@@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000012512972 524968029 /nfs/dbraw/zinc/96/80/29/524968029.db2.gz QKUCJFRYVXZVCT-OAQYLSRUSA-N 0 0 447.560 4.399 50 0 IIAARN COc1ccc(Oc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000012526285 524992680 /nfs/dbraw/zinc/99/26/80/524992680.db2.gz LIBYXXOHMBROOC-UHFFFAOYSA-N 0 0 443.477 4.068 50 0 IIAARN Cc1cccc2sc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(OC(F)F)cc3)nc21 ZINC000223419008 524999946 /nfs/dbraw/zinc/99/99/46/524999946.db2.gz CONYXUDNPSTNNG-HNNXBMFYSA-N 0 0 431.464 4.336 50 0 IIAARN Cc1cc(I)cnc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000012557848 525012331 /nfs/dbraw/zinc/01/23/31/525012331.db2.gz QEKKFLINKUVZGL-UHFFFAOYSA-N 0 0 437.064 4.319 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1Cl ZINC000035399243 525022595 /nfs/dbraw/zinc/02/25/95/525022595.db2.gz BSTLMMKEPUUMIO-UHFFFAOYSA-N 0 0 443.956 4.245 50 0 biogenic IIAARN C[C@@H]1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)C[C@@H](C)O1 ZINC000022305310 525028433 /nfs/dbraw/zinc/02/84/33/525028433.db2.gz MEJVFRKEYLWQGH-HUUCEWRRSA-N 0 0 444.532 4.118 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(C)c4)ccc32)cc1 ZINC000017122738 525033702 /nfs/dbraw/zinc/03/37/02/525033702.db2.gz ADWIPIMAMVUZCG-UHFFFAOYSA-N 0 0 436.533 4.397 50 0 IIAARN Cc1cc(N2C(=O)Cn3cccc3[C@H]2C(=O)NC2CCC(C)CC2)ccc1Br ZINC000021368123 525051276 /nfs/dbraw/zinc/05/12/76/525051276.db2.gz XRIFVHKHDDHPLJ-LGHNAOJLSA-N 0 0 444.373 4.342 50 0 IIAARN Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2nc(-c3ccccc3F)cc2n1 ZINC000033115857 525054304 /nfs/dbraw/zinc/05/43/04/525054304.db2.gz CPDPXNKNDZNAQG-UHFFFAOYSA-N 0 0 443.526 4.377 50 0 IIAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@](O)(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000012447841 525060200 /nfs/dbraw/zinc/06/02/00/525060200.db2.gz UCWCCWQVGPZHOF-RUZDIDTESA-N 0 0 448.906 4.094 50 0 IIAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(-c3ccco3)nc2n1 ZINC000015780361 525082735 /nfs/dbraw/zinc/08/27/35/525082735.db2.gz IRCDCSMOYVQMNC-UHFFFAOYSA-N 0 0 428.418 4.038 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc3c(COc4cccc(OC)c4)noc3c2)cc1 ZINC000020725498 525091873 /nfs/dbraw/zinc/09/18/73/525091873.db2.gz RQSMTMHSXZCZDT-UHFFFAOYSA-N 0 0 441.461 4.192 50 0 IIAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021860827 525134054 /nfs/dbraw/zinc/13/40/54/525134054.db2.gz IKIWBIFGWAGJOV-LCGZVINYSA-N 0 0 444.579 4.454 50 0 IIAARN Cc1ccccc1CNC(=O)CN(C(=O)C1=C(C)OCCS1)c1ccc(Cl)cc1 ZINC000021163650 525149944 /nfs/dbraw/zinc/14/99/44/525149944.db2.gz GJESWZGKNUOJET-UHFFFAOYSA-N 0 0 430.957 4.293 50 0 IIAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 ZINC000009661287 525165833 /nfs/dbraw/zinc/16/58/33/525165833.db2.gz NUYIQSBFLFTCDY-UHFFFAOYSA-N 0 0 443.536 4.169 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccn1 ZINC000021863204 525199108 /nfs/dbraw/zinc/19/91/08/525199108.db2.gz IBRXSUOXEADOJU-RUZDIDTESA-N 0 0 432.524 4.007 50 0 IIAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000024761972 525207522 /nfs/dbraw/zinc/20/75/22/525207522.db2.gz ILGOOFMGNVLJRA-LBPRGKRZSA-N 0 0 443.263 4.245 50 0 IIAARN C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000012756923 525214654 /nfs/dbraw/zinc/21/46/54/525214654.db2.gz VHOVUBQJTHQAOP-MRXNPFEDSA-N 0 0 435.977 4.075 50 0 IIAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000020680507 525215575 /nfs/dbraw/zinc/21/55/75/525215575.db2.gz DBNWSZCHSJDIPT-RXFWQSSRSA-N 0 0 428.532 4.411 50 0 IIAARN Cc1ccccc1NC(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020861297 525229916 /nfs/dbraw/zinc/22/99/16/525229916.db2.gz KAWVNLQYWCLMDY-UHFFFAOYSA-N 0 0 437.565 4.267 50 0 IIAARN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1=O ZINC000012867954 525233529 /nfs/dbraw/zinc/23/35/29/525233529.db2.gz RKNWSGWGMFTOOM-ZCUVORPTSA-N 0 0 449.595 4.268 50 0 IIAARN Cc1ccccc1NC(=O)CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000021942453 525238035 /nfs/dbraw/zinc/23/80/35/525238035.db2.gz LZPCYINMNMJAIC-UHFFFAOYSA-N 0 0 439.924 4.044 50 0 IIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 ZINC000024450669 525254469 /nfs/dbraw/zinc/25/44/69/525254469.db2.gz JGEFRZQCSIDUKN-UHFFFAOYSA-N 0 0 440.521 4.424 50 0 IIAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000012850289 525261381 /nfs/dbraw/zinc/26/13/81/525261381.db2.gz UMGPSBDKUMUCIV-IBGZPJMESA-N 0 0 435.597 4.350 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2Cl)c1 ZINC000012736492 525269500 /nfs/dbraw/zinc/26/95/00/525269500.db2.gz ARWGELXDDWDVBO-CQSZACIVSA-N 0 0 432.929 4.291 50 0 IIAARN COc1ccc([C@@]2(C)NC(=O)N(CCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1OC ZINC000017482746 525284422 /nfs/dbraw/zinc/28/44/22/525284422.db2.gz RHSVFFCAZYZMLV-RUZDIDTESA-N 0 0 440.540 4.237 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000012769852 525335181 /nfs/dbraw/zinc/33/51/81/525335181.db2.gz GLVBIGJEUIRNLI-GFCCVEGCSA-N 0 0 427.353 4.197 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 ZINC000003405633 534850415 /nfs/dbraw/zinc/85/04/15/534850415.db2.gz YLBIPGUQWCAROM-UHFFFAOYSA-N 0 0 433.508 4.035 50 0 IIAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(F)c1 ZINC000009469494 534850449 /nfs/dbraw/zinc/85/04/49/534850449.db2.gz YXEVMVSAWDTHTO-UHFFFAOYSA-N 0 0 442.494 4.330 50 0 IIAARN Cc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1C ZINC000021885406 525366538 /nfs/dbraw/zinc/36/65/38/525366538.db2.gz IEZFCNSAAFQQCC-UHFFFAOYSA-N 0 0 440.912 4.053 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000015535084 525413756 /nfs/dbraw/zinc/41/37/56/525413756.db2.gz PTZBEQMOBIAYPJ-HSZRJFAPSA-N 0 0 431.536 4.499 50 0 IIAARN Cc1[nH]c2ccc(C)cc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000012650351 525425207 /nfs/dbraw/zinc/42/52/07/525425207.db2.gz HPTSESATDRKGKY-AWQFTUOYSA-N 0 0 449.488 4.188 50 0 IIAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4Cl)cc3)nc12 ZINC000021100123 525459380 /nfs/dbraw/zinc/45/93/80/525459380.db2.gz OXMDUZWOYBXVOR-UHFFFAOYSA-N 0 0 449.894 4.253 50 0 IIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCN1C(=O)COc2ccccc21 ZINC000012535121 525466480 /nfs/dbraw/zinc/46/64/80/525466480.db2.gz YIKOGMHZIOCDQB-UHFFFAOYSA-N 0 0 426.476 4.064 50 0 IIAARN COc1ccc2c(C)nc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)nc2c1 ZINC000014879073 525497308 /nfs/dbraw/zinc/49/73/08/525497308.db2.gz XAUOLTDBLLDPSR-QHCPKHFHSA-N 0 0 430.552 4.357 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1C ZINC000012894786 525497415 /nfs/dbraw/zinc/49/74/15/525497415.db2.gz SSFKRBRJJCIFSS-UHFFFAOYSA-N 0 0 441.480 4.016 50 0 biogenic IIAARN Cc1cc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034716288 525498814 /nfs/dbraw/zinc/49/88/14/525498814.db2.gz DBOBYHIXAXOIIF-YADHBBJMSA-N 0 0 425.548 4.017 50 0 IIAARN Cc1c(-c2ccccc2)sc(NC(=O)c2cccnc2Cl)c1C(=O)N1CCOCC1 ZINC000014389760 525508681 /nfs/dbraw/zinc/50/86/81/525508681.db2.gz FWKGGVVLDGEVKH-UHFFFAOYSA-N 0 0 441.940 4.497 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000016839663 525511159 /nfs/dbraw/zinc/51/11/59/525511159.db2.gz NURVJMRUQHHYMD-FQEVSTJZSA-N 0 0 449.931 4.423 50 0 IIAARN Cc1c(Br)c(C(F)F)nn1Cc1nn2c(nnc2-c2cccs2)s1 ZINC000020606987 525523392 /nfs/dbraw/zinc/52/33/92/525523392.db2.gz APOHEMXVUBZCCG-UHFFFAOYSA-N 0 0 431.291 4.168 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000012543394 525524541 /nfs/dbraw/zinc/52/45/41/525524541.db2.gz YZCAQHPGOWQPDO-UHFFFAOYSA-N 0 0 441.597 4.268 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1C ZINC000032950400 525525227 /nfs/dbraw/zinc/52/52/27/525525227.db2.gz KCDSWPDLVRFFLB-UHFFFAOYSA-N 0 0 438.475 4.093 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000015949580 525527385 /nfs/dbraw/zinc/52/73/85/525527385.db2.gz WJVVOCJPGMCUSL-FQEVSTJZSA-N 0 0 438.593 4.488 50 0 IIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012522841 525532546 /nfs/dbraw/zinc/53/25/46/525532546.db2.gz PIHXOFRVGKJDOK-CQSZACIVSA-N 0 0 443.956 4.413 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC(F)F)C2)s1 ZINC000023074603 525534979 /nfs/dbraw/zinc/53/49/79/525534979.db2.gz NPIDGKJMOZAHKD-ZDUSSCGKSA-N 0 0 446.566 4.411 50 0 IIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000012688805 525536896 /nfs/dbraw/zinc/53/68/96/525536896.db2.gz NRUIWVCGIQIHSB-VGOFRKELSA-N 0 0 448.544 4.080 50 0 IIAARN CSCC[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000242263273 525558380 /nfs/dbraw/zinc/55/83/80/525558380.db2.gz XXOUFOSNBPATMJ-XFUCYTCISA-N 0 0 446.657 4.004 50 0 IIAARN Cc1cc2c(cc1C)n(CC(=O)Nc1ccc(F)c(F)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535167 525604966 /nfs/dbraw/zinc/60/49/66/525604966.db2.gz MCWUSPSOEMYAHP-UHFFFAOYSA-N 0 0 447.441 4.161 50 0 IIAARN C[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884514 525609984 /nfs/dbraw/zinc/60/99/84/525609984.db2.gz YHODGAZTBCZFEX-INIZCTEOSA-N 0 0 436.458 4.456 50 0 IIAARN Cc1c(C(=O)NCCOC(C)C)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012163081 525614173 /nfs/dbraw/zinc/61/41/73/525614173.db2.gz VHMDUYANUCYTRJ-UHFFFAOYSA-N 0 0 437.569 4.290 50 0 IIAARN COc1ccc2cc([C@H]3Nc4ccccc4C(=O)N3CCCN3CCOCC3)ccc2c1 ZINC000012744177 525640154 /nfs/dbraw/zinc/64/01/54/525640154.db2.gz SSKNTROMWJFZMQ-VWLOTQADSA-N 0 0 431.536 4.137 50 0 IIAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(Cl)c4)c3)cn2n1 ZINC000012441354 525654245 /nfs/dbraw/zinc/65/42/45/525654245.db2.gz CZECUWMBVZJCDM-UHFFFAOYSA-N 0 0 446.891 4.307 50 0 IIAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCc4cccs4)cc3)c2cc1C ZINC000033006121 525670795 /nfs/dbraw/zinc/67/07/95/525670795.db2.gz YWMLBDDVROPOIM-UHFFFAOYSA-N 0 0 431.561 4.404 50 0 IIAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc(=O)n2o1 ZINC000035378680 525672233 /nfs/dbraw/zinc/67/22/33/525672233.db2.gz LWKXXUHQOGGWOX-GOSISDBHSA-N 0 0 447.491 4.198 50 0 IIAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)[C@H](C)Oc3cccc(C)c3)cc(=O)n2o1 ZINC000035378659 525674179 /nfs/dbraw/zinc/67/41/79/525674179.db2.gz RAPYTXTXHNGHGM-SFHVURJKSA-N 0 0 447.491 4.198 50 0 IIAARN Cc1c(C)n(CC(C)C)c(NC(=O)c2ccncc2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000020715431 525681752 /nfs/dbraw/zinc/68/17/52/525681752.db2.gz NHQFVDBNUBHMJM-UHFFFAOYSA-N 0 0 429.517 4.380 50 0 IIAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)[C@H]2CCCO2)c1S(=O)(=O)c1ccccc1 ZINC000012323583 525685597 /nfs/dbraw/zinc/68/55/97/525685597.db2.gz GGBWPDQSAXBAKR-OAQYLSRUSA-N 0 0 438.549 4.104 50 0 IIAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)[C@H]2CCCO2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012406814 525688162 /nfs/dbraw/zinc/68/81/62/525688162.db2.gz DCKRHUOUIACZTI-HXUWFJFHSA-N 0 0 442.537 4.005 50 0 IIAARN COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)NCc3ccccc3)c3ccccc3)no2)c1 ZINC000036002651 525703822 /nfs/dbraw/zinc/70/38/22/525703822.db2.gz KTSDOGUOKXDWGJ-XMMPIXPASA-N 0 0 441.487 4.138 50 0 IIAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)c(F)c2)c(C)n3C)c1 ZINC000035448560 525712031 /nfs/dbraw/zinc/71/20/31/525712031.db2.gz WXYKOBNLHVTZLQ-UHFFFAOYSA-N 0 0 448.498 4.036 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000011917532 525719600 /nfs/dbraw/zinc/71/96/00/525719600.db2.gz PPKBSXSAAPJDKF-SFHVURJKSA-N 0 0 444.940 4.133 50 0 IIAARN COc1cccc(-c2nc(C(=O)Nc3nc(C)c(-c4nccn4C)s3)cs2)c1OC ZINC000022992661 525721941 /nfs/dbraw/zinc/72/19/41/525721941.db2.gz ZQYWDIKGHMXADL-UHFFFAOYSA-N 0 0 441.538 4.245 50 0 IIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2nnsc2Cl)c1 ZINC000021225827 525729991 /nfs/dbraw/zinc/72/99/91/525729991.db2.gz NQRFRGLIVIBWEV-UHFFFAOYSA-N 0 0 426.885 4.410 50 0 IIAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)nn2)cc1 ZINC000035398490 525752604 /nfs/dbraw/zinc/75/26/04/525752604.db2.gz TXOSCXSUEKRFOY-UHFFFAOYSA-N 0 0 430.508 4.078 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O ZINC000033300140 525768563 /nfs/dbraw/zinc/76/85/63/525768563.db2.gz KTBOPTOCOJWPSD-UHFFFAOYSA-N 0 0 428.876 4.260 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1 ZINC000021811906 525791802 /nfs/dbraw/zinc/79/18/02/525791802.db2.gz NVWMIKIGKJVBNG-DEOSSOPVSA-N 0 0 436.487 4.150 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1c1ccc(F)cc1 ZINC000021781064 525794609 /nfs/dbraw/zinc/79/46/09/525794609.db2.gz JFIPCDBWWUHCPQ-VWLOTQADSA-N 0 0 434.515 4.434 50 0 IIAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccn1 ZINC000021809810 525796179 /nfs/dbraw/zinc/79/61/79/525796179.db2.gz VMHQJFXPWONYLY-DEOSSOPVSA-N 0 0 436.581 4.352 50 0 IIAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4cc(Cl)ccc4O)C3)no2)cc1 ZINC000021724710 525812755 /nfs/dbraw/zinc/81/27/55/525812755.db2.gz CAYRHFSKRISEPY-INIZCTEOSA-N 0 0 426.904 4.255 50 0 IIAARN Cc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2CCC2=CCCCC2)o1 ZINC000016050273 525821260 /nfs/dbraw/zinc/82/12/60/525821260.db2.gz MFHUZQPCJVUGGK-UHFFFAOYSA-N 0 0 430.508 4.394 50 0 IIAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(F)cc2)C(=O)[C@@H](C)O3)c1 ZINC000035884113 525833490 /nfs/dbraw/zinc/83/34/90/525833490.db2.gz UYNRCPFYHCTXJF-MRXNPFEDSA-N 0 0 434.467 4.396 50 0 IIAARN COc1cccc(C(=O)Nc2nc(-c3nnn(-c4cccc(Cl)c4)c3C)ns2)c1 ZINC000020597812 525835886 /nfs/dbraw/zinc/83/58/86/525835886.db2.gz UPJRPRZSRHMUKH-UHFFFAOYSA-N 0 0 426.889 4.009 50 0 IIAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000035961936 525855759 /nfs/dbraw/zinc/85/57/59/525855759.db2.gz OJXFNHJYSBIZPK-XMMPIXPASA-N 0 0 433.552 4.330 50 0 IIAARN C[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000032933315 525880005 /nfs/dbraw/zinc/88/00/05/525880005.db2.gz IYIPXFSDOAEFOV-JTQLQIEISA-N 0 0 427.250 4.138 50 0 IIAARN C[C@H](OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C(=O)Nc1cc(F)ccc1F ZINC000022286760 525882093 /nfs/dbraw/zinc/88/20/93/525882093.db2.gz SDGITMOFSAJRDZ-NSHDSACASA-N 0 0 436.361 4.401 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3CCC[C@@H]4CCCC[C@@H]43)nnc2N2CCCC2)cc1 ZINC000009338548 525897913 /nfs/dbraw/zinc/89/79/13/525897913.db2.gz QQWVZAYMLFGWFA-FPOVZHCZSA-N 0 0 439.629 4.449 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nc3ccccc3c2=O)nc1 ZINC000012609173 525898850 /nfs/dbraw/zinc/89/88/50/525898850.db2.gz BTRFOESFBCWNEG-QGZVFWFLSA-N 0 0 430.533 4.059 50 0 IIAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NCc3ccco3)nnc2-c2cccnc2)c(C)c1 ZINC000012597055 525903918 /nfs/dbraw/zinc/90/39/18/525903918.db2.gz GAHRLXRLCRCKCP-KRWDZBQOSA-N 0 0 433.537 4.336 50 0 IIAARN COc1cccc(CN(C)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 ZINC000012920616 525904634 /nfs/dbraw/zinc/90/46/34/525904634.db2.gz WNVALHURIBRFSI-UHFFFAOYSA-N 0 0 446.547 4.368 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752775 525906194 /nfs/dbraw/zinc/90/61/94/525906194.db2.gz SPZAGIZRBDIOOY-LJQANCHMSA-N 0 0 441.549 4.196 50 0 IIAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccccc2F)nc3C(C)C)cc1C ZINC000012229142 525934605 /nfs/dbraw/zinc/93/46/05/525934605.db2.gz HEPYFWZOPRTLPT-UHFFFAOYSA-N 0 0 433.487 4.100 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NC1CCCCCC1)nc2C ZINC000020563833 525935128 /nfs/dbraw/zinc/93/51/28/525935128.db2.gz GDKTWJUTUHFHIJ-UHFFFAOYSA-N 0 0 435.572 4.127 50 0 IIAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000021888452 525941645 /nfs/dbraw/zinc/94/16/45/525941645.db2.gz NHHHNJQYQVDFSD-UHFFFAOYSA-N 0 0 437.546 4.374 50 0 IIAARN Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1Cl ZINC000012897652 525948918 /nfs/dbraw/zinc/94/89/18/525948918.db2.gz SWHPASBPOYCARS-MDZDMXLPSA-N 0 0 425.960 4.061 50 0 IIAARN CSc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000021647893 525949507 /nfs/dbraw/zinc/94/95/07/525949507.db2.gz KMFNCOPDHNYCCQ-KRWDZBQOSA-N 0 0 429.567 4.335 50 0 IIAARN 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527659161 /nfs/dbraw/zinc/65/91/61/527659161.db2.gz ITIJUXZTANBSHE-FLIBITNWSA-N 0 0 438.325 4.174 50 0 IIAARN FC(F)(F)c1nnc2ccc(NCCSc3ncc(C(F)(F)F)cc3Cl)nn21 ZINC000012823905 527691472 /nfs/dbraw/zinc/69/14/72/527691472.db2.gz CYAYFUQNPNUIQE-UHFFFAOYSA-N 0 0 442.776 4.415 50 0 IIAARN CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009292948 535132271 /nfs/dbraw/zinc/13/22/71/535132271.db2.gz LXDCZDUBRGHISP-UHFFFAOYSA-N 0 0 445.523 4.031 50 0 IIAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000012981043 535373389 /nfs/dbraw/zinc/37/33/89/535373389.db2.gz OJNDZMOLIMLJIX-UHFFFAOYSA-N 0 0 426.582 4.190 50 0 IIAARN CCN(CC)c1nc(C)nc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 ZINC000002925946 535689382 /nfs/dbraw/zinc/68/93/82/535689382.db2.gz PHVSFAUMPOQGDP-UHFFFAOYSA-N 0 0 441.576 4.256 50 0 IIAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccc(C)cc3)CC2)c2ccccc2O1 ZINC000008588510 536116738 /nfs/dbraw/zinc/11/67/38/536116738.db2.gz DWCNDKORDTVXBW-QFIPXVFZSA-N 0 0 435.568 4.163 50 0 IIAARN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009289086 536633327 /nfs/dbraw/zinc/63/33/27/536633327.db2.gz GIDIILSTOMPDFE-UHFFFAOYSA-N 0 0 425.710 4.200 50 0 IIAARN COc1ccc(OC)c(-c2noc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000008590304 536825247 /nfs/dbraw/zinc/82/52/47/536825247.db2.gz PASYCVZTEAQJCU-UHFFFAOYSA-N 0 0 434.418 4.099 50 0 IIAARN COc1cccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1[O-] ZINC000001297627 537069552 /nfs/dbraw/zinc/06/95/52/537069552.db2.gz BVSWXCCGGDFPOR-UHFFFAOYSA-N 0 0 426.520 4.333 50 0 IIAARN Cn1ccnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000009058177 555508120 /nfs/dbraw/zinc/50/81/20/555508120.db2.gz PVTOXUVLINADAG-UHFFFAOYSA-N 0 0 440.594 4.021 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000000623290 555511372 /nfs/dbraw/zinc/51/13/72/555511372.db2.gz CLDMDAWREHDBKV-UHFFFAOYSA-N 0 0 444.516 4.436 50 0 IIAARN Cn1c2nc(SCc3ccccc3Cl)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000000628208 555513467 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CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCC3)CCCC2 ZINC000000648721 555521859 /nfs/dbraw/zinc/52/18/59/555521859.db2.gz XGYXGWYEWXERHZ-UHFFFAOYSA-N 0 0 441.475 4.146 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000000661085 555526737 /nfs/dbraw/zinc/52/67/37/555526737.db2.gz AHFVECLTJUYTHG-KRWDZBQOSA-N 0 0 437.569 4.137 50 0 IIAARN COc1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1 ZINC000000667439 555529236 /nfs/dbraw/zinc/52/92/36/555529236.db2.gz BKLXKAFOPBZFGX-UHFFFAOYSA-N 0 0 442.562 4.251 50 0 IIAARN CN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000000667554 555529252 /nfs/dbraw/zinc/52/92/52/555529252.db2.gz QAYINZNNWQZREC-UHFFFAOYSA-N 0 0 430.526 4.236 50 0 IIAARN CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2OCC)cc1 ZINC000000669353 555530200 /nfs/dbraw/zinc/53/02/00/555530200.db2.gz KAFKDVPCZHHBEZ-QHCPKHFHSA-N 0 0 431.492 4.396 50 0 IIAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000673799 555532436 /nfs/dbraw/zinc/53/24/36/555532436.db2.gz TUMNOHSDDNOFCF-RBUKOAKNSA-N 0 0 430.430 4.482 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 ZINC000000674252 555533127 /nfs/dbraw/zinc/53/31/27/555533127.db2.gz JKNSUIZZSRIXDP-UHFFFAOYSA-N 0 0 440.521 4.212 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000000675078 555533973 /nfs/dbraw/zinc/53/39/73/555533973.db2.gz PLXFWUUUUUYHRA-UHFFFAOYSA-N 0 0 438.549 4.278 50 0 IIAARN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000000676460 555534918 /nfs/dbraw/zinc/53/49/18/555534918.db2.gz RLLNXPRTZVSZEA-UHFFFAOYSA-N 0 0 432.933 4.095 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2OC)cc1Br ZINC000000678955 555536608 /nfs/dbraw/zinc/53/66/08/555536608.db2.gz RQHOOWFHPQAIQI-UHFFFAOYSA-N 0 0 429.723 4.247 50 0 IIAARN Cc1ccc(C(=O)NC(=S)Nc2ccccc2I)cc1Cl ZINC000000678885 555536612 /nfs/dbraw/zinc/53/66/12/555536612.db2.gz ADLSMWFYHZAFJW-UHFFFAOYSA-N 0 0 430.698 4.380 50 0 IIAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O ZINC000000703899 555544379 /nfs/dbraw/zinc/54/43/79/555544379.db2.gz WORYJBOXASOGRM-JOCHJYFZSA-N 0 0 428.444 4.351 50 0 IIAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000708951 555546159 /nfs/dbraw/zinc/54/61/59/555546159.db2.gz PFPJXYAVOUUZMM-GOSISDBHSA-N 0 0 446.370 4.279 50 0 IIAARN CCc1ccc(-n2c(CSc3nnnn3-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000000715095 555548254 /nfs/dbraw/zinc/54/82/54/555548254.db2.gz QCTYYZCCDFUOBY-UHFFFAOYSA-N 0 0 440.532 4.216 50 0 IIAARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000000724576 555551120 /nfs/dbraw/zinc/55/11/20/555551120.db2.gz OEBMOIRPYGLHRS-UHFFFAOYSA-N 0 0 430.698 4.380 50 0 IIAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000000730345 555552983 /nfs/dbraw/zinc/55/29/83/555552983.db2.gz XMADWSBWYAADAN-HSZRJFAPSA-N 0 0 446.507 4.129 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 ZINC000000784561 555556112 /nfs/dbraw/zinc/55/61/12/555556112.db2.gz FJQNFRMXOAWFOI-MRXNPFEDSA-N 0 0 438.427 4.324 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000792746 555557304 /nfs/dbraw/zinc/55/73/04/555557304.db2.gz YIGYQIYMPIWUHG-UHFFFAOYSA-N 0 0 439.537 4.323 50 0 IIAARN COc1ccc(OC)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)c1 ZINC000000793335 555557732 /nfs/dbraw/zinc/55/77/32/555557732.db2.gz XOAQCBGVNSMZPI-SANMLTNESA-N 0 0 431.488 4.020 50 0 IIAARN C[C@H](OC(=O)/C=C/c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000010524575 555559581 /nfs/dbraw/zinc/55/95/81/555559581.db2.gz OKBIIHNLRLFPFB-LLGDCAAFSA-N 0 0 428.204 4.450 50 0 IIAARN COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)c(C)c2)C3=O)c1 ZINC000000829487 555566077 /nfs/dbraw/zinc/56/60/77/555566077.db2.gz GHPAIAVSKJOEFK-UHFFFAOYSA-N 0 0 428.444 4.143 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)Cc2ccccc2)cc1 ZINC000000842977 555568421 /nfs/dbraw/zinc/56/84/21/555568421.db2.gz HXKIIFZCHKQQNK-UHFFFAOYSA-N 0 0 444.940 4.178 50 0 IIAARN COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000000866639 555573966 /nfs/dbraw/zinc/57/39/66/555573966.db2.gz INEYVMRLZRZHBP-HDLCADABSA-N 0 0 439.511 4.139 50 0 IIAARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000866208 555574013 /nfs/dbraw/zinc/57/40/13/555574013.db2.gz DHTZFHXHQSBJBT-SFHVURJKSA-N 0 0 446.304 4.427 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000000873106 555575830 /nfs/dbraw/zinc/57/58/30/555575830.db2.gz RIWPGRAVEJBUOV-UHFFFAOYSA-N 0 0 425.901 4.366 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000009632790 555585376 /nfs/dbraw/zinc/58/53/76/555585376.db2.gz RNDFGLZFEVPUIV-DHZHZOJOSA-N 0 0 434.945 4.175 50 0 IIAARN CC(C)Oc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951046 555589189 /nfs/dbraw/zinc/58/91/89/555589189.db2.gz PHWMLDVEUYRPPG-QHCPKHFHSA-N 0 0 428.488 4.320 50 0 IIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1 ZINC000000970834 555591499 /nfs/dbraw/zinc/59/14/99/555591499.db2.gz XVIULLVMDNLWKM-HSZRJFAPSA-N 0 0 445.519 4.341 50 0 IIAARN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)n1-c1cc(C)ccc1C ZINC000009596688 555592893 /nfs/dbraw/zinc/59/28/93/555592893.db2.gz AVTSGGSDJHOFSG-GOSISDBHSA-N 0 0 446.580 4.348 50 0 IIAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1O ZINC000000987422 555595389 /nfs/dbraw/zinc/59/53/89/555595389.db2.gz CHWVMNBKRMLIEE-UDWIEESQSA-N 0 0 434.473 4.229 50 0 IIAARN CC(C)COC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000000991786 555596520 /nfs/dbraw/zinc/59/65/20/555596520.db2.gz WSEPEAAKKMTBJK-UHFFFAOYSA-N 0 0 448.519 4.293 50 0 IIAARN CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000000992911 555597130 /nfs/dbraw/zinc/59/71/30/555597130.db2.gz IQPLUDIKWRPMOS-UHFFFAOYSA-N 0 0 431.444 4.294 50 0 IIAARN CCOC(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(N)=O)c1C ZINC000000996111 555598626 /nfs/dbraw/zinc/59/86/26/555598626.db2.gz GRTDOPDVVRZLDF-UHFFFAOYSA-N 0 0 436.489 4.208 50 0 IIAARN COc1ccc(C(=O)NN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000000999316 555599871 /nfs/dbraw/zinc/59/98/71/555599871.db2.gz HVIBFTVVVMASQV-UHFFFAOYSA-N 0 0 434.062 4.250 50 0 IIAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000001008100 555601383 /nfs/dbraw/zinc/60/13/83/555601383.db2.gz APMHZTZEODCILM-IDUWFGFVSA-N 0 0 430.869 4.052 50 0 IIAARN Cc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001012509 555602259 /nfs/dbraw/zinc/60/22/59/555602259.db2.gz KOHYBLDFJZOONU-UHFFFAOYSA-N 0 0 428.941 4.478 50 0 IIAARN Brc1ccc(OCc2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)cc1 ZINC000001016508 555602889 /nfs/dbraw/zinc/60/28/89/555602889.db2.gz VPMMRNWYPKDQQI-OAHLLOKOSA-N 0 0 445.298 4.040 50 0 IIAARN CC(C)c1ccc(NC(=O)CSc2nnc(OC(=O)N(C)C)n2-c2ccccc2)cc1 ZINC000001034097 555607450 /nfs/dbraw/zinc/60/74/50/555607450.db2.gz OWUOUXWARPKVAH-UHFFFAOYSA-N 0 0 439.541 4.182 50 0 IIAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1C1CCCCC1 ZINC000001049770 555612663 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555855593 /nfs/dbraw/zinc/85/55/93/555855593.db2.gz BEJLDXPVCCMHDA-UHFFFAOYSA-N 0 0 437.521 4.315 50 0 IIAARN COc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1NC(=O)c1cccs1 ZINC000002881942 555855926 /nfs/dbraw/zinc/85/59/26/555855926.db2.gz LWCGACGJSLNDIY-UHFFFAOYSA-N 0 0 425.535 4.065 50 0 IIAARN O=S(=O)(NC1CCCCCC1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002905726 555861297 /nfs/dbraw/zinc/86/12/97/555861297.db2.gz DKZWSPLALTYLTF-UHFFFAOYSA-N 0 0 427.975 4.174 50 0 IIAARN CCOc1cccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)c1 ZINC000002934983 555864420 /nfs/dbraw/zinc/86/44/20/555864420.db2.gz HLYZQZTVICQJTN-OAQYLSRUSA-N 0 0 434.517 4.242 50 0 IIAARN CCOc1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000002964318 555868309 /nfs/dbraw/zinc/86/83/09/555868309.db2.gz NYPQAEPRNRVIRU-UHFFFAOYSA-N 0 0 438.549 4.482 50 0 IIAARN CCOc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002994657 555875747 /nfs/dbraw/zinc/87/57/47/555875747.db2.gz IAZYWJBIDQYWJB-UHFFFAOYSA-N 0 0 446.613 4.386 50 0 IIAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 ZINC000003003517 555878224 /nfs/dbraw/zinc/87/82/24/555878224.db2.gz QCZKOWNMRFWSPM-UHFFFAOYSA-N 0 0 428.514 4.246 50 0 IIAARN CCOc1ccc(N(CCCCO)C(=O)NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000003017026 555880946 /nfs/dbraw/zinc/88/09/46/555880946.db2.gz SJUVLDZOEIWRFH-UHFFFAOYSA-N 0 0 449.345 4.285 50 0 IIAARN COC(=O)c1cccc(O[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003019028 555881424 /nfs/dbraw/zinc/88/14/24/555881424.db2.gz JHWLVENKKHBBTD-DOJUMQAQSA-N 0 0 428.699 4.378 50 0 IIAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000003051538 555882663 /nfs/dbraw/zinc/88/26/63/555882663.db2.gz BIICPAZYPJCAST-INIZCTEOSA-N 0 0 446.787 4.416 50 0 IIAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003053014 555883011 /nfs/dbraw/zinc/88/30/11/555883011.db2.gz UGMBOYHFJVAXGF-OAHLLOKOSA-N 0 0 432.760 4.108 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1cccc(C(C)=O)c1)C(F)(F)F ZINC000003103418 555887279 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CC(C)(C)c1ccc(OCc2nnc3n2N(Cc2ccc(F)c(F)c2)C(=O)CS3)cc1 ZINC000034810004 555908204 /nfs/dbraw/zinc/90/82/04/555908204.db2.gz HLEDRWGZLICYBE-UHFFFAOYSA-N 0 0 444.507 4.203 50 0 IIAARN CCCc1nc2onc(-c3ccccc3)c2c(N2CCN(C(=O)Cc3cccs3)CC2)n1 ZINC000034810090 555908437 /nfs/dbraw/zinc/90/84/37/555908437.db2.gz SJUCIZXYNMYPSG-UHFFFAOYSA-N 0 0 447.564 4.190 50 0 IIAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1OC ZINC000003249889 555908470 /nfs/dbraw/zinc/90/84/70/555908470.db2.gz INPVFQBUQSOOHA-UHFFFAOYSA-N 0 0 447.520 4.077 50 0 IIAARN COc1ccc(NC(=O)Nc2c(C)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000034796636 555918086 /nfs/dbraw/zinc/91/80/86/555918086.db2.gz INDLFWCFLFTKJE-UHFFFAOYSA-N 0 0 442.472 4.072 50 0 IIAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1OC)N(C(C)=O)c1ccccc1-2 ZINC000003640709 555943056 /nfs/dbraw/zinc/94/30/56/555943056.db2.gz JMRSNZJJJAQZJB-OAQYLSRUSA-N 0 0 438.509 4.112 50 0 IIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000003960174 555951848 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CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(OC(F)F)cc1 ZINC000002792130 556144216 /nfs/dbraw/zinc/14/42/16/556144216.db2.gz SITKZQYTNJDFKR-UHFFFAOYSA-N 0 0 447.463 4.313 50 0 IIAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1 ZINC000003008548 556154818 /nfs/dbraw/zinc/15/48/18/556154818.db2.gz OBSQTFMJXZZJGM-UHFFFAOYSA-N 0 0 439.537 4.040 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015470 556158309 /nfs/dbraw/zinc/15/83/09/556158309.db2.gz QYSKUNRELZOFRQ-UHFFFAOYSA-N 0 0 437.927 4.437 50 0 IIAARN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3nc(-c4ccccc4)cs3)C2)cc1C ZINC000008383958 556159660 /nfs/dbraw/zinc/15/96/60/556159660.db2.gz OINDSFYJIJKBMU-IBGZPJMESA-N 0 0 434.517 4.206 50 0 IIAARN O=C(Nc1cccc(I)c1)c1ccc(I)cc1 ZINC000008385515 556161507 /nfs/dbraw/zinc/16/15/07/556161507.db2.gz BCQBTPICYRBUKU-UHFFFAOYSA-N 0 0 449.029 4.148 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000008395928 556163046 /nfs/dbraw/zinc/16/30/46/556163046.db2.gz HTKUWTUBUHDXIZ-HGLKBHAMSA-N 0 0 443.506 4.295 50 0 IIAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(C)=O)c3ccccc3C2c2ccccc21 ZINC000008397271 556164167 /nfs/dbraw/zinc/16/41/67/556164167.db2.gz KRJRHQQIGQWFAZ-QDBPJBAASA-N 0 0 437.495 4.225 50 0 IIAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3n2)c1 ZINC000008400454 556165936 /nfs/dbraw/zinc/16/59/36/556165936.db2.gz OBNXZVGNXRXTDF-UHFFFAOYSA-N 0 0 426.398 4.354 50 0 IIAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2=O)cc1C ZINC000008445421 556179671 /nfs/dbraw/zinc/17/96/71/556179671.db2.gz SAVVMRKNDGTBRI-QFIPXVFZSA-N 0 0 447.457 4.346 50 0 IIAARN C[C@@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000008497984 556186919 /nfs/dbraw/zinc/18/69/19/556186919.db2.gz GXPFQRBXPWMUDN-VKHQOIBJSA-N 0 0 429.903 4.272 50 0 IIAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 ZINC000008591525 556188933 /nfs/dbraw/zinc/18/89/33/556188933.db2.gz SPWZCUGURYJYJG-QFIPXVFZSA-N 0 0 435.524 4.366 50 0 IIAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000008594265 556189652 /nfs/dbraw/zinc/18/96/52/556189652.db2.gz SEDQVDZKCTZKHU-SFHVURJKSA-N 0 0 449.503 4.489 50 0 IIAARN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl ZINC000008815760 556217024 /nfs/dbraw/zinc/21/70/24/556217024.db2.gz JPGLBNWILIJOIH-VBEHJTROSA-N 0 0 445.878 4.188 50 0 IIAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(I)cc1 ZINC000008834387 556225692 /nfs/dbraw/zinc/22/56/92/556225692.db2.gz MBXJHTSUVOWLQO-UHFFFAOYSA-N 0 0 428.078 4.399 50 0 IIAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000008927826 556235062 /nfs/dbraw/zinc/23/50/62/556235062.db2.gz GODKRHVVPVVLME-MHZLTWQESA-N 0 0 443.499 4.082 50 0 IIAARN CCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000009057726 556243565 /nfs/dbraw/zinc/24/35/65/556243565.db2.gz XWZVMCMJKAVPAU-UHFFFAOYSA-N 0 0 438.956 4.099 50 0 IIAARN COc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 ZINC000009189607 556252686 /nfs/dbraw/zinc/25/26/86/556252686.db2.gz XTKJPMTZXQRMTG-LJQANCHMSA-N 0 0 435.553 4.313 50 0 biogenic IIAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009197038 556255110 /nfs/dbraw/zinc/25/51/10/556255110.db2.gz OKDQTTKWLVOMGI-RTBURBONSA-N 0 0 427.961 4.454 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(F)cc4)s3)CC2=O)cc1Cl ZINC000009198552 556256433 /nfs/dbraw/zinc/25/64/33/556256433.db2.gz UPYGWAQBZHQHEX-AWEZNQCLSA-N 0 0 444.919 4.341 50 0 IIAARN O=C(CSc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000009198618 556256489 /nfs/dbraw/zinc/25/64/89/556256489.db2.gz HIMRCKFZJVDCBV-CYBMUJFWSA-N 0 0 444.969 4.443 50 0 IIAARN Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)Cc3c(F)cccc3Cl)s2)CC1=O ZINC000009198747 556256760 /nfs/dbraw/zinc/25/67/60/556256760.db2.gz IJHRWZUXZZVFBN-ZDUSSCGKSA-N 0 0 444.919 4.341 50 0 IIAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(SCC(=O)NCc1ccco1)nnc2C ZINC000009224468 556257981 /nfs/dbraw/zinc/25/79/81/556257981.db2.gz XVNUGSMHLIPEPH-UHFFFAOYSA-N 0 0 427.917 4.087 50 0 IIAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000009226840 556260390 /nfs/dbraw/zinc/26/03/90/556260390.db2.gz POYPJXGZJMWCID-UHFFFAOYSA-N 0 0 432.914 4.030 50 0 IIAARN CCOc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)cc1 ZINC000009233502 556262466 /nfs/dbraw/zinc/26/24/66/556262466.db2.gz QDQWWNUQRACOSV-CPNJWEJPSA-N 0 0 426.494 4.004 50 0 IIAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000009236883 556264179 /nfs/dbraw/zinc/26/41/79/556264179.db2.gz SHJGRIIDEUPFLH-DLBZAZTESA-N 0 0 449.458 4.012 50 0 IIAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009238912 556265054 /nfs/dbraw/zinc/26/50/54/556265054.db2.gz XLYYDABMWNRFIV-OALUTQOASA-N 0 0 443.960 4.345 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239593 556266045 /nfs/dbraw/zinc/26/60/45/556266045.db2.gz QDHHDARBWYMWMK-NHCUHLMSSA-N 0 0 437.569 4.199 50 0 IIAARN Cc1ccc(NC(=O)COc2ccccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000009260699 556268407 /nfs/dbraw/zinc/26/84/07/556268407.db2.gz KQGDCIBVBQGFBP-RCCKNPSSSA-N 0 0 427.460 4.110 50 0 IIAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 ZINC000009295098 556274877 /nfs/dbraw/zinc/27/48/77/556274877.db2.gz PBPXAGXAQLDINC-UXHICEINSA-N 0 0 425.533 4.330 50 0 IIAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccc3c(c2)OCO3)c1S(=O)(=O)c1ccccc1 ZINC000013689942 556279323 /nfs/dbraw/zinc/27/93/23/556279323.db2.gz CUHIQRHWZAYOMA-UHFFFAOYSA-N 0 0 440.521 4.500 50 0 IIAARN CC(C)C[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000013692961 556282547 /nfs/dbraw/zinc/28/25/47/556282547.db2.gz GZLCBJVZGDHROE-AZGAKELHSA-N 0 0 444.575 4.199 50 0 IIAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cc(Cl)ccc1Cl ZINC000013693440 556282929 /nfs/dbraw/zinc/28/29/29/556282929.db2.gz VXORLERUCAKEBQ-UHFFFAOYSA-N 0 0 432.307 4.447 50 0 IIAARN Cc1cccn2c(=O)cc(CN(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)nc12 ZINC000032547960 556287495 /nfs/dbraw/zinc/28/74/95/556287495.db2.gz IWOKHRAMPXZGNS-UHFFFAOYSA-N 0 0 435.531 4.488 50 0 IIAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Oc2ccccc2)cc1 ZINC000013724591 556292101 /nfs/dbraw/zinc/29/21/01/556292101.db2.gz UOWAQFFQMQNCRD-HXUWFJFHSA-N 0 0 425.448 4.259 50 0 IIAARN COCCCn1c(C(=O)N(Cc2ccccc2)C(C)C)cc2c1nc1c(C)cccn1c2=O ZINC000009450141 556292724 /nfs/dbraw/zinc/29/27/24/556292724.db2.gz KATGNGZKIKWKLH-UHFFFAOYSA-N 0 0 446.551 4.045 50 0 IIAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000013727203 556293549 /nfs/dbraw/zinc/29/35/49/556293549.db2.gz KZYLXNUPFJFTTI-UHFFFAOYSA-N 0 0 440.521 4.329 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000013732645 556296495 /nfs/dbraw/zinc/29/64/95/556296495.db2.gz BHYBJODQGVHWLL-UHFFFAOYSA-N 0 0 443.459 4.040 50 0 IIAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)c1 ZINC000009559788 556298237 /nfs/dbraw/zinc/29/82/37/556298237.db2.gz LWGVWNBGLYRDRM-QGZVFWFLSA-N 0 0 449.503 4.489 50 0 IIAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013749028 556298442 /nfs/dbraw/zinc/29/84/42/556298442.db2.gz VOWDODKVVGRDPP-OAHLLOKOSA-N 0 0 432.756 4.476 50 0 IIAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000013752148 556299399 /nfs/dbraw/zinc/29/93/99/556299399.db2.gz SOPPHIAJRLCKPQ-HOTGVXAUSA-N 0 0 442.002 4.002 50 0 IIAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013758981 556301483 /nfs/dbraw/zinc/30/14/83/556301483.db2.gz PNLDAACTMMOHLJ-RBUKOAKNSA-N 0 0 433.443 4.417 50 0 IIAARN COCCn1cnnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000032741673 556303437 /nfs/dbraw/zinc/30/34/37/556303437.db2.gz GFEPPTCEGCUHSA-UHFFFAOYSA-N 0 0 434.521 4.219 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)c(OC)c1 ZINC000009614473 556304047 /nfs/dbraw/zinc/30/40/47/556304047.db2.gz JSQZERLMHHBPOD-MHZLTWQESA-N 0 0 445.515 4.328 50 0 IIAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3F)nc3ncccc3c2=O)cc1 ZINC000009830313 556310702 /nfs/dbraw/zinc/31/07/02/556310702.db2.gz IGKWCHKYDKFJGF-UHFFFAOYSA-N 0 0 434.496 4.018 50 0 IIAARN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(Cl)cc1 ZINC000013810777 556312289 /nfs/dbraw/zinc/31/22/89/556312289.db2.gz WFQRJRRHQJBZPQ-GPJHCHHRSA-N 0 0 444.918 4.328 50 0 IIAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000013811211 556312512 /nfs/dbraw/zinc/31/25/12/556312512.db2.gz LLHRRPHUOXFYAZ-WFASDCNBSA-N 0 0 443.953 4.309 50 0 IIAARN COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032752940 556314175 /nfs/dbraw/zinc/31/41/75/556314175.db2.gz DIHPCNMMWDPIRH-UHFFFAOYSA-N 0 0 425.432 4.199 50 0 IIAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)o2)cc1 ZINC000032745206 556314857 /nfs/dbraw/zinc/31/48/57/556314857.db2.gz SUJZQANFVQFNMM-LJQANCHMSA-N 0 0 438.553 4.315 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccs2)cc1 ZINC000009933947 556317255 /nfs/dbraw/zinc/31/72/55/556317255.db2.gz IFEPTNCAVDGMMS-NRFANRHFSA-N 0 0 449.532 4.431 50 0 IIAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 ZINC000009933961 556317293 /nfs/dbraw/zinc/31/72/93/556317293.db2.gz RLSLCDHOCWXKGB-HXUWFJFHSA-N 0 0 434.883 4.101 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933887 556317323 /nfs/dbraw/zinc/31/73/23/556317323.db2.gz BCPYIWXLHODRTD-XMMPIXPASA-N 0 0 436.552 4.071 50 0 IIAARN COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000009969694 556319195 /nfs/dbraw/zinc/31/91/95/556319195.db2.gz HAOCWNJRYXZSNA-HNNXBMFYSA-N 0 0 434.583 4.233 50 0 IIAARN O=C(NC[C@@H]1CCCO1)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1 ZINC000013881500 556326354 /nfs/dbraw/zinc/32/63/54/556326354.db2.gz BMYIWHWPUMMEOV-QHCPKHFHSA-N 0 0 443.503 4.100 50 0 IIAARN O=C(Nc1c(F)cc(F)cc1Br)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000013882252 556326621 /nfs/dbraw/zinc/32/66/21/556326621.db2.gz KTWFKFWBKZODSI-ORMMXULVSA-N 0 0 437.288 4.253 50 0 IIAARN O=c1/c(=C\c2ccccc2OCCCOc2ccccc2)sc2nc3ccccc3n12 ZINC000013897042 556329905 /nfs/dbraw/zinc/32/99/05/556329905.db2.gz DZZKKRCEXBRITM-HAVVHWLPSA-N 0 0 428.513 4.305 50 0 IIAARN O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000032764381 556331569 /nfs/dbraw/zinc/33/15/69/556331569.db2.gz YWWUXDAGHDPHGJ-UHFFFAOYSA-N 0 0 440.352 4.035 50 0 IIAARN Cn1ccnc1[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 ZINC000032772783 556335654 /nfs/dbraw/zinc/33/56/54/556335654.db2.gz HJXICFRBKAYGSG-GOSISDBHSA-N 0 0 427.917 4.023 50 0 IIAARN C[C@@H](NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000032564519 556338273 /nfs/dbraw/zinc/33/82/73/556338273.db2.gz QZBHRXIQWURNEB-QGZVFWFLSA-N 0 0 449.576 4.492 50 0 IIAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000011662554 556344050 /nfs/dbraw/zinc/34/40/50/556344050.db2.gz SHEZQGLRSXHNGH-HXUWFJFHSA-N 0 0 426.557 4.232 50 0 IIAARN CCOC(=O)CCn1nc(-c2ccc(OC)c(OC)c2)cc1-c1ccc(OC)c(OC)c1 ZINC000013960800 556348342 /nfs/dbraw/zinc/34/83/42/556348342.db2.gz FFEYXVBTQFNASO-UHFFFAOYSA-N 0 0 440.496 4.205 50 0 IIAARN O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000013985502 556351772 /nfs/dbraw/zinc/35/17/72/556351772.db2.gz JYILLRHXRVTRSH-GFCCVEGCSA-N 0 0 429.240 4.263 50 0 investigational IIAARN O=c1cc(CSCc2nc(-c3cccs3)no2)nc2ccc(Br)cn12 ZINC000032778668 556351874 /nfs/dbraw/zinc/35/18/74/556351874.db2.gz BOBLFKAEJZPUGH-UHFFFAOYSA-N 0 0 435.328 4.002 50 0 IIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000004489507 556352466 /nfs/dbraw/zinc/35/24/66/556352466.db2.gz VRICGDPYIYYSIG-GOSISDBHSA-N 0 0 433.401 4.001 50 0 IIAARN Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1Cc1ccco1 ZINC000014018512 556356307 /nfs/dbraw/zinc/35/63/07/556356307.db2.gz ILVRGARNRNOEEP-OAHLLOKOSA-N 0 0 432.571 4.164 50 0 IIAARN Cc1cccc(OC2CCN(C(=O)c3cn(Cc4cccc5ccccc54)nn3)CC2)c1 ZINC000011813194 556356334 /nfs/dbraw/zinc/35/63/34/556356334.db2.gz NYABDYRNGUTQHP-UHFFFAOYSA-N 0 0 426.520 4.472 50 0 IIAARN CC[C@@H](Oc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](CC)Oc1ccccc1 ZINC000014025153 556357451 /nfs/dbraw/zinc/35/74/51/556357451.db2.gz PLJFQVALQHPKRA-PSWAGMNNSA-N 0 0 440.584 4.494 50 0 IIAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)c2cnccn2)CC1 ZINC000011843915 556367188 /nfs/dbraw/zinc/36/71/88/556367188.db2.gz VQJUKJBUNGOCJQ-UHFFFAOYSA-N 0 0 425.492 4.116 50 0 IIAARN O=C(NC1CC1)[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 ZINC000014095688 556367576 /nfs/dbraw/zinc/36/75/76/556367576.db2.gz QJJISBAIQIZKLM-OAQYLSRUSA-N 0 0 433.581 4.370 50 0 IIAARN Cc1ccc(OCCN(C)C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1 ZINC000011869022 556368444 /nfs/dbraw/zinc/36/84/44/556368444.db2.gz BNPSXZCLMMLUEV-DEOSSOPVSA-N 0 0 428.960 4.157 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014110048 556369154 /nfs/dbraw/zinc/36/91/54/556369154.db2.gz FMTZWFKWYAFNIY-HXUWFJFHSA-N 0 0 431.540 4.049 50 0 IIAARN Cn1cc(CCC(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000011873183 556369369 /nfs/dbraw/zinc/36/93/69/556369369.db2.gz CFEBLSHOXCQHCC-OAQYLSRUSA-N 0 0 434.515 4.036 50 0 IIAARN O=C(CN1CCN(C(=O)C2CCCCC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014111701 556369712 /nfs/dbraw/zinc/36/97/12/556369712.db2.gz JGYSIEWNUDDKAV-UHFFFAOYSA-N 0 0 431.886 4.022 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCC2(C)CC2)CC1 ZINC000011874167 556370345 /nfs/dbraw/zinc/37/03/45/556370345.db2.gz PZFGIRUUPODXBC-UHFFFAOYSA-N 0 0 425.533 4.280 50 0 IIAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000011878603 556371318 /nfs/dbraw/zinc/37/13/18/556371318.db2.gz JCWCDBLHDYETEQ-KRWDZBQOSA-N 0 0 431.521 4.177 50 0 IIAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000011878602 556371358 /nfs/dbraw/zinc/37/13/58/556371358.db2.gz JCWCDBLHDYETEQ-QGZVFWFLSA-N 0 0 431.521 4.177 50 0 IIAARN COc1cc(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc2c1OCO2 ZINC000011881550 556373161 /nfs/dbraw/zinc/37/31/61/556373161.db2.gz VWJXJADSMVBJGB-JOCHJYFZSA-N 0 0 433.504 4.095 50 0 IIAARN O=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1scnc1-c1ccccc1 ZINC000011881980 556373685 /nfs/dbraw/zinc/37/36/85/556373685.db2.gz CEGITHHYRPMMHZ-XMMPIXPASA-N 0 0 437.540 4.237 50 0 IIAARN COC(=O)CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011933208 556376814 /nfs/dbraw/zinc/37/68/14/556376814.db2.gz MSPIVJKHCQSOPA-HXUWFJFHSA-N 0 0 447.535 4.355 50 0 IIAARN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)no1 ZINC000011937728 556379581 /nfs/dbraw/zinc/37/95/81/556379581.db2.gz UUAYXXGCZNRQRF-KRWDZBQOSA-N 0 0 434.496 4.476 50 0 IIAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)NC1CCCCCCC1 ZINC000014167364 556380031 /nfs/dbraw/zinc/38/00/31/556380031.db2.gz AEJVTWFVOZQBMR-UHFFFAOYSA-N 0 0 425.558 4.303 50 0 IIAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1OCCc2ccccc21 ZINC000011965719 556381867 /nfs/dbraw/zinc/38/18/67/556381867.db2.gz 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Cc1nc(-c2ccc(CCNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)s2)cs1 ZINC000013000759 556433158 /nfs/dbraw/zinc/43/31/58/556433158.db2.gz RSGFDSSJBWIHQO-UHFFFAOYSA-N 0 0 442.534 4.149 50 0 IIAARN C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(F)cc1F ZINC000013001253 556433357 /nfs/dbraw/zinc/43/33/57/556433357.db2.gz QLODQPOBHJMWKQ-ZDUSSCGKSA-N 0 0 430.524 4.464 50 0 IIAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000027818545 556433382 /nfs/dbraw/zinc/43/33/82/556433382.db2.gz TXKLGJHCNIUSFC-UHFFFAOYSA-N 0 0 438.372 4.280 50 0 IIAARN CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000013001939 556433576 /nfs/dbraw/zinc/43/35/76/556433576.db2.gz NWNJSFCASGOJPX-UHFFFAOYSA-N 0 0 448.910 4.045 50 0 IIAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(OC)cc3)o2)c1 ZINC000014705748 556435127 /nfs/dbraw/zinc/43/51/27/556435127.db2.gz FZEZGPOLPXFDGT-UHFFFAOYSA-N 0 0 433.555 4.068 50 0 IIAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000013016098 556437963 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O=C(Cc1noc2ccccc12)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000014939136 556459152 /nfs/dbraw/zinc/45/91/52/556459152.db2.gz QDGLCZODDAHOMP-UHFFFAOYSA-N 0 0 443.431 4.088 50 0 IIAARN O=C(CSc1nnc2n1CCCCC2)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000013109778 556463326 /nfs/dbraw/zinc/46/33/26/556463326.db2.gz DJABPDIHTJWMNR-OAHLLOKOSA-N 0 0 427.555 4.129 50 0 IIAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3cccc(C(F)(F)F)c3)cs1)CS2 ZINC000029013231 556465655 /nfs/dbraw/zinc/46/56/55/556465655.db2.gz GOWZESHLDGKSGM-GUYCJALGSA-N 0 0 427.473 4.221 50 0 IIAARN COc1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)ccc1OCc1ccccc1 ZINC000029074303 556466580 /nfs/dbraw/zinc/46/65/80/556466580.db2.gz QTEAXBSVSUCGBW-HXUWFJFHSA-N 0 0 428.492 4.294 50 0 IIAARN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3nc(C(C)C)cs3)CC2)c1 ZINC000014972606 556467496 /nfs/dbraw/zinc/46/74/96/556467496.db2.gz SMPAZPJBQLPOQD-UHFFFAOYSA-N 0 0 429.586 4.211 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c23)cc1C ZINC000013114830 556467534 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ZINC000014993034 556476249 /nfs/dbraw/zinc/47/62/49/556476249.db2.gz XGFBUEBNRKOMAT-IBGZPJMESA-N 0 0 435.549 4.270 50 0 IIAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000013128144 556477451 /nfs/dbraw/zinc/47/74/51/556477451.db2.gz OXTNYWQLWRMMOX-QFIPXVFZSA-N 0 0 434.540 4.282 50 0 IIAARN Cc1c(C(=O)NCc2ccccc2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000014995978 556478039 /nfs/dbraw/zinc/47/80/39/556478039.db2.gz LTTQQYYBLXYKAR-UHFFFAOYSA-N 0 0 432.505 4.271 50 0 IIAARN CCn1c(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nnc1-c1cccs1 ZINC000013130903 556480064 /nfs/dbraw/zinc/48/00/64/556480064.db2.gz NADSGOCRKXIUNZ-KRWDZBQOSA-N 0 0 444.557 4.479 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1c[nH]c2ccccc21 ZINC000013131180 556480072 /nfs/dbraw/zinc/48/00/72/556480072.db2.gz UQCNHWQUUXUGDH-IBGZPJMESA-N 0 0 444.940 4.099 50 0 IIAARN COC(=O)c1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1 ZINC000013135067 556483141 /nfs/dbraw/zinc/48/31/41/556483141.db2.gz LPOQRPLBZZOODD-UHFFFAOYSA-N 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COc1ccccc1C(=O)C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 ZINC000013591424 556529731 /nfs/dbraw/zinc/52/97/31/556529731.db2.gz HMBTYTZVGGADEO-XMMPIXPASA-N 0 0 439.870 4.495 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cc12 ZINC000032899705 556531319 /nfs/dbraw/zinc/53/13/19/556531319.db2.gz CRLPQZDSAQQKIV-UHFFFAOYSA-N 0 0 432.324 4.489 50 0 IIAARN COc1cc(Br)c([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000015503806 556531733 /nfs/dbraw/zinc/53/17/33/556531733.db2.gz GMSKMULBDRXQQO-ZUOKHONESA-N 0 0 447.329 4.212 50 0 IIAARN C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000032721408 556532390 /nfs/dbraw/zinc/53/23/90/556532390.db2.gz QYMIDZTUTFDEFS-IBWKUCEASA-N 0 0 427.614 4.414 50 0 IIAARN O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCN(c2nccs2)CC1 ZINC000032901041 556535502 /nfs/dbraw/zinc/53/55/02/556535502.db2.gz NKGNOMVHFZJJLK-UHFFFAOYSA-N 0 0 439.928 4.205 50 0 IIAARN COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCOCC2)cc1 ZINC000013627964 556537761 /nfs/dbraw/zinc/53/77/61/556537761.db2.gz YXHHKYWMRDOMBR-UHFFFAOYSA-N 0 0 444.531 4.426 50 0 IIAARN CSc1cccc(NC(=O)CCc2nc3c(C)nn(-c4ccc(C)cc4)c3n(C)c2=O)c1 ZINC000015779853 556551158 /nfs/dbraw/zinc/55/11/58/556551158.db2.gz FLNAVHSTVLOZFK-UHFFFAOYSA-N 0 0 447.564 4.029 50 0 IIAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032906209 556551778 /nfs/dbraw/zinc/55/17/78/556551778.db2.gz NYLMUMDTCNOVHJ-UHFFFAOYSA-N 0 0 429.499 4.396 50 0 IIAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032906601 556553416 /nfs/dbraw/zinc/55/34/16/556553416.db2.gz PFLZYWAQXSFRAJ-GOSISDBHSA-N 0 0 438.491 4.195 50 0 IIAARN COc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000033048630 556553644 /nfs/dbraw/zinc/55/36/44/556553644.db2.gz GFCVULTUURVFBY-NRFANRHFSA-N 0 0 433.439 4.412 50 0 IIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(CC(=O)NC3CC3)CC2)c1 ZINC000033115205 556554689 /nfs/dbraw/zinc/55/46/89/556554689.db2.gz BMYBXTPQKXIBLD-UHFFFAOYSA-N 0 0 442.563 4.369 50 0 IIAARN COc1ccc(CN(C(=O)CSc2nnc(-c3sc(C)nc3C)o2)C2CC2)cc1 ZINC000032905944 556556957 /nfs/dbraw/zinc/55/69/57/556556957.db2.gz LJQPLIZESYQRSC-UHFFFAOYSA-N 0 0 430.555 4.102 50 0 IIAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4ccccc4C)c(=O)c32)c1 ZINC000033250033 556556963 /nfs/dbraw/zinc/55/69/63/556556963.db2.gz AYACMXTZMQNSSZ-UHFFFAOYSA-N 0 0 438.871 4.051 50 0 IIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3cccc(Cl)c3)nn12 ZINC000033274364 556558240 /nfs/dbraw/zinc/55/82/40/556558240.db2.gz NHFYNCVFKNMNQX-UHFFFAOYSA-N 0 0 443.894 4.307 50 0 IIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3ccc(Cl)cc3)nn12 ZINC000033274365 556558264 /nfs/dbraw/zinc/55/82/64/556558264.db2.gz RNHPRZFNUQYBKX-UHFFFAOYSA-N 0 0 443.894 4.307 50 0 IIAARN CCCNC(=O)C1CCN(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000032907255 556558627 /nfs/dbraw/zinc/55/86/27/556558627.db2.gz LRWQJSSZPCTQQZ-FQEVSTJZSA-N 0 0 438.597 4.309 50 0 IIAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000032908036 556564231 /nfs/dbraw/zinc/56/42/31/556564231.db2.gz RNYZWRPLWZTSFT-UHFFFAOYSA-N 0 0 428.485 4.337 50 0 IIAARN COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc(C)cc2)c1 ZINC000015971768 556570032 /nfs/dbraw/zinc/57/00/32/556570032.db2.gz NDCIWTRYPYEFBJ-ATIYNZHBSA-N 0 0 442.471 4.093 50 0 IIAARN CN(CCc1noc(COc2cccc(C(F)(F)F)c2)n1)C(=O)c1ccc(Cl)nc1 ZINC000032961046 556571904 /nfs/dbraw/zinc/57/19/04/556571904.db2.gz UVMAJOCOZIYCFZ-UHFFFAOYSA-N 0 0 440.809 4.031 50 0 IIAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032910454 556575913 /nfs/dbraw/zinc/57/59/13/556575913.db2.gz VIJABHYFCDXENI-UYTITELCSA-N 0 0 448.563 4.454 50 0 IIAARN Fc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccsc2)CC3)c(F)c1 ZINC000034755863 556582055 /nfs/dbraw/zinc/58/20/55/556582055.db2.gz OPZJDUXFVYKSEF-UHFFFAOYSA-N 0 0 444.507 4.004 50 0 IIAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1C ZINC000016120800 556584311 /nfs/dbraw/zinc/58/43/11/556584311.db2.gz JMFZLDYQTSJYHY-UHFFFAOYSA-N 0 0 426.332 4.255 50 0 IIAARN CC(=O)NCCc1ccc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)s1 ZINC000016132874 556584797 /nfs/dbraw/zinc/58/47/97/556584797.db2.gz VOQNYRXQTWVBTI-UHFFFAOYSA-N 0 0 439.484 4.364 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000016185162 556587416 /nfs/dbraw/zinc/58/74/16/556587416.db2.gz HPFAHVSNIAPPAL-HNNXBMFYSA-N 0 0 436.331 4.454 50 0 IIAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000016185094 556587487 /nfs/dbraw/zinc/58/74/87/556587487.db2.gz DMBYFCYEKAMFHB-OAHLLOKOSA-N 0 0 426.325 4.424 50 0 IIAARN Cc1ccc(CN(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016183293 556587505 /nfs/dbraw/zinc/58/75/05/556587505.db2.gz KNZIMSZZXOUZMK-UHFFFAOYSA-N 0 0 434.989 4.288 50 0 IIAARN Cc1ccc2[nH]c(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c(Cl)c2c1 ZINC000032913284 556590707 /nfs/dbraw/zinc/59/07/07/556590707.db2.gz GTGXYZFYMUEJBW-UHFFFAOYSA-N 0 0 438.959 4.143 50 0 IIAARN CC[C@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC ZINC000016214111 556591399 /nfs/dbraw/zinc/59/13/99/556591399.db2.gz LBDNUGYUWMXUKV-QGTPRVQTSA-N 0 0 431.282 4.150 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083583 556592837 /nfs/dbraw/zinc/59/28/37/556592837.db2.gz RLFIMMHDRVPBIG-NRFANRHFSA-N 0 0 430.451 4.174 50 0 IIAARN COc1cc(/C=C\[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 ZINC000016292434 556598137 /nfs/dbraw/zinc/59/81/37/556598137.db2.gz WNQFFPGZTDHYPF-FPLPWBNLSA-N 0 0 425.222 4.435 50 0 IIAARN COc1cccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 ZINC000036883785 556600659 /nfs/dbraw/zinc/60/06/59/556600659.db2.gz QAZJYSWXAUGKGS-IBGZPJMESA-N 0 0 427.501 4.247 50 0 IIAARN CCOC(=O)c1c(NC(=S)NCCCN2CCCC2=O)sc(C)c1-c1ccccc1 ZINC000016345426 556601107 /nfs/dbraw/zinc/60/11/07/556601107.db2.gz IXVXMVFJNDMJAA-UHFFFAOYSA-N 0 0 445.610 4.199 50 0 IIAARN Cc1ccc(-n2cnn(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2=S)c(C)c1 ZINC000016357377 556602271 /nfs/dbraw/zinc/60/22/71/556602271.db2.gz GMNUFJZJORSVHU-UHFFFAOYSA-N 0 0 448.518 4.214 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)O3)cc1OC ZINC000032984040 556603226 /nfs/dbraw/zinc/60/32/26/556603226.db2.gz TYMDDNXIFHXCFV-IWIPYMOSSA-N 0 0 444.487 4.048 50 0 biogenic IIAARN CC[C@@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000016422305 556606366 /nfs/dbraw/zinc/60/63/66/556606366.db2.gz GQFZKZNCFGGGFW-HXUWFJFHSA-N 0 0 434.506 4.188 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016422300 556606389 /nfs/dbraw/zinc/60/63/89/556606389.db2.gz UXWHQOYVNMILAR-GOSISDBHSA-N 0 0 434.506 4.107 50 0 IIAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000016431569 556607424 /nfs/dbraw/zinc/60/74/24/556607424.db2.gz LMALOCGERPATBM-UHFFFAOYSA-N 0 0 425.941 4.457 50 0 IIAARN O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000032914654 556607737 /nfs/dbraw/zinc/60/77/37/556607737.db2.gz SUFYRZOPQFTSIR-UHFFFAOYSA-N 0 0 445.386 4.125 50 0 IIAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000032991038 556609709 /nfs/dbraw/zinc/60/97/09/556609709.db2.gz XSLWFNKXIIAJBO-NRFANRHFSA-N 0 0 447.560 4.351 50 0 IIAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)OCCO2 ZINC000016474352 556609965 /nfs/dbraw/zinc/60/99/65/556609965.db2.gz YZWMFODEJFYILK-UHFFFAOYSA-N 0 0 430.489 4.128 50 0 IIAARN Cc1ccccc1-c1nn2c(nc(CNC(=O)Nc3cccc(Cl)c3C)cc2=O)s1 ZINC000032995961 556611690 /nfs/dbraw/zinc/61/16/90/556611690.db2.gz CIDRPEHWGREICQ-UHFFFAOYSA-N 0 0 439.928 4.410 50 0 IIAARN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc2ccccc2o1 ZINC000016525720 556614347 /nfs/dbraw/zinc/61/43/47/556614347.db2.gz TZOJQDUUVLFDEI-UHFFFAOYSA-N 0 0 428.473 4.441 50 0 IIAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)Nc1cccc(Cl)c1 ZINC000010613113 556615333 /nfs/dbraw/zinc/61/53/33/556615333.db2.gz IYGGSUSJHKMYLL-UHFFFAOYSA-N 0 0 446.319 4.146 50 0 IIAARN Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000016594784 556616818 /nfs/dbraw/zinc/61/68/18/556616818.db2.gz UWIYBFZYVRROKA-UHFFFAOYSA-N 0 0 443.547 4.098 50 0 IIAARN Cc1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(NC(=O)C(C)C)c2)ccc1=O ZINC000016624553 556618225 /nfs/dbraw/zinc/61/82/25/556618225.db2.gz KSLNTZVEXQFLPZ-GOSISDBHSA-N 0 0 432.524 4.321 50 0 IIAARN COc1ccccc1/C=C/C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033655443 556618649 /nfs/dbraw/zinc/61/86/49/556618649.db2.gz MCXQLOZYHDXNQT-LICLKQGHSA-N 0 0 437.517 4.448 50 0 IIAARN COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)cc1OS(C)(=O)=O ZINC000033664085 556619991 /nfs/dbraw/zinc/61/99/91/556619991.db2.gz SARLIWNLFOTMKK-UHFFFAOYSA-N 0 0 444.509 4.169 50 0 IIAARN CCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)CC ZINC000033733172 556628450 /nfs/dbraw/zinc/62/84/50/556628450.db2.gz FPKGUSVFVRDFHU-UHFFFAOYSA-N 0 0 430.570 4.353 50 0 IIAARN CSc1ccc(CCN2C(=O)Cn3cccc3[C@H]2C(=O)NC2CCC(C)CC2)cc1 ZINC000005065572 556629902 /nfs/dbraw/zinc/62/99/02/556629902.db2.gz FWSJUQMBSKYXTO-WFHLNLCJSA-N 0 0 425.598 4.031 50 0 IIAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cc1ccccc1 ZINC000016729846 556631346 /nfs/dbraw/zinc/63/13/46/556631346.db2.gz ITJAKTVNZLYBIG-UHFFFAOYSA-N 0 0 425.506 4.248 50 0 IIAARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n3n2)cc1 ZINC000016732382 556631688 /nfs/dbraw/zinc/63/16/88/556631688.db2.gz RMUSOROLNVWZLF-MOSHPQCFSA-N 0 0 433.464 4.164 50 0 IIAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040288496 556634566 /nfs/dbraw/zinc/63/45/66/556634566.db2.gz ZNLSSYXXRSTUGW-ZEQRLZLVSA-N 0 0 439.471 4.446 50 0 IIAARN CCCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005100715 556634938 /nfs/dbraw/zinc/63/49/38/556634938.db2.gz ULNMQZTYDRAICZ-JOCHJYFZSA-N 0 0 429.582 4.428 50 0 IIAARN Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc1C2=O ZINC000033808224 556636717 /nfs/dbraw/zinc/63/67/17/556636717.db2.gz PWPFFCMQAVGBDB-UHFFFAOYSA-N 0 0 426.476 4.232 50 0 IIAARN CCCCOc1cccc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000005111282 556636742 /nfs/dbraw/zinc/63/67/42/556636742.db2.gz ZDBYKPPWXWADHJ-QFIPXVFZSA-N 0 0 429.582 4.257 50 0 IIAARN CCCCCCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005120228 556637039 /nfs/dbraw/zinc/63/70/39/556637039.db2.gz YWACJXGERWJOMF-JOCHJYFZSA-N 0 0 429.582 4.475 50 0 IIAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCCO ZINC000016752628 556638145 /nfs/dbraw/zinc/63/81/45/556638145.db2.gz NSLVBAZEYLCSDL-DEOSSOPVSA-N 0 0 441.483 4.300 50 0 IIAARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000016822447 556644990 /nfs/dbraw/zinc/64/49/90/556644990.db2.gz OGNPQLKFLRGKJO-INIZCTEOSA-N 0 0 439.899 4.280 50 0 IIAARN CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)CC1 ZINC000037600460 556645855 /nfs/dbraw/zinc/64/58/55/556645855.db2.gz POVPWJSEYZECQN-IBGZPJMESA-N 0 0 431.536 4.288 50 0 IIAARN COc1cc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc(OC)c1 ZINC000016841483 556646099 /nfs/dbraw/zinc/64/60/99/556646099.db2.gz PECYLQPTVWIPQG-UHFFFAOYSA-N 0 0 438.484 4.283 50 0 IIAARN COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841464 556646117 /nfs/dbraw/zinc/64/61/17/556646117.db2.gz QTQPSYFTYRGZIU-UHFFFAOYSA-N 0 0 436.468 4.053 50 0 IIAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c(OC)c1 ZINC000016841437 556646150 /nfs/dbraw/zinc/64/61/50/556646150.db2.gz SCACEEXJTFUGMV-UHFFFAOYSA-N 0 0 438.484 4.283 50 0 IIAARN CCn1c(SCC(=O)NCc2ccco2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845097 556646798 /nfs/dbraw/zinc/64/67/98/556646798.db2.gz LJZXPJVKRHTZKA-UHFFFAOYSA-N 0 0 425.535 4.146 50 0 IIAARN C[C@@H]1Cc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n(C)c(=O)c2S1 ZINC000011726488 556647146 /nfs/dbraw/zinc/64/71/46/556647146.db2.gz IOCRNKKPDXRCGY-MRVPVSSYSA-N 0 0 449.907 4.220 50 0 IIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@H](C)C2 ZINC000011726551 556647397 /nfs/dbraw/zinc/64/73/97/556647397.db2.gz NCQYKLZWGBLBSW-AEFFLSMTSA-N 0 0 443.638 4.212 50 0 IIAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3OC)C2=O)c(OC)c1 ZINC000016916036 556649110 /nfs/dbraw/zinc/64/91/10/556649110.db2.gz BZVUMTMMBNCTRT-XDJHFCHBSA-N 0 0 430.460 4.352 50 0 IIAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000016963949 556651395 /nfs/dbraw/zinc/65/13/95/556651395.db2.gz ZSZUVWKYVKTUHW-RUZDIDTESA-N 0 0 432.545 4.428 50 0 IIAARN COc1cccc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)c1OC ZINC000011757679 556651817 /nfs/dbraw/zinc/65/18/17/556651817.db2.gz BDSLHQHTSNWKJH-UHFFFAOYSA-N 0 0 435.343 4.212 50 0 IIAARN Cc1cc(Br)cc(C)c1NC(=O)c1cccn(OCc2ccccc2)c1=O ZINC000017011050 556652785 /nfs/dbraw/zinc/65/27/85/556652785.db2.gz POPUPMBLZAAIOF-UHFFFAOYSA-N 0 0 427.298 4.109 50 0 IIAARN Cc1cc(C)n(CCCNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)n1 ZINC000032999741 556653480 /nfs/dbraw/zinc/65/34/80/556653480.db2.gz HPQYHRSKXJQKSF-UHFFFAOYSA-N 0 0 448.592 4.001 50 0 IIAARN CCc1noc(C)c1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011765593 556654792 /nfs/dbraw/zinc/65/47/92/556654792.db2.gz VDGJKCQJFCRZHB-UHFFFAOYSA-N 0 0 449.555 4.181 50 0 IIAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)N[C@@H](C)Cc3ccco3)c2=O)cc1 ZINC000033006817 556655608 /nfs/dbraw/zinc/65/56/08/556655608.db2.gz NQLWMNBIJLCZKT-SFHVURJKSA-N 0 0 447.560 4.186 50 0 IIAARN CC(C)CN(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)CC(F)(F)F ZINC000032926928 556656022 /nfs/dbraw/zinc/65/60/22/556656022.db2.gz MVGMVHKEKZWPQO-UHFFFAOYSA-N 0 0 447.501 4.240 50 0 IIAARN COC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000011835056 556659409 /nfs/dbraw/zinc/65/94/09/556659409.db2.gz IJFDQJXPJOHPQF-UHFFFAOYSA-N 0 0 443.912 4.407 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cc(Cl)ccc1Cl ZINC000017096330 556659942 /nfs/dbraw/zinc/65/99/42/556659942.db2.gz PUZDCKYPAIGTPS-UHFFFAOYSA-N 0 0 429.325 4.494 50 0 IIAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000100743724 556660790 /nfs/dbraw/zinc/66/07/90/556660790.db2.gz COXKRTKBGILXKG-IYBDPMFKSA-N 0 0 428.282 4.348 50 0 IIAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1 ZINC000033013550 556662935 /nfs/dbraw/zinc/66/29/35/556662935.db2.gz UPPMQNGXOURQBU-UHFFFAOYSA-N 0 0 431.521 4.377 50 0 IIAARN CCCCOc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)no2)cc1 ZINC000044417925 556669529 /nfs/dbraw/zinc/66/95/29/556669529.db2.gz LDRQSYXZFYPOHV-QGZVFWFLSA-N 0 0 437.496 4.453 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1sc3nc(C)c(C(C)=O)cc3c1N)CCCC2 ZINC000032929446 556671417 /nfs/dbraw/zinc/67/14/17/556671417.db2.gz NSLANVKRYICYEF-UHFFFAOYSA-N 0 0 443.550 4.369 50 0 IIAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000010619186 556672248 /nfs/dbraw/zinc/67/22/48/556672248.db2.gz FWNQCWZOZQNHPX-UHFFFAOYSA-N 0 0 426.563 4.242 50 0 IIAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000011917396 556674352 /nfs/dbraw/zinc/67/43/52/556674352.db2.gz IHVWDEBOQGTNAR-LJQANCHMSA-N 0 0 444.940 4.133 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000017306696 556675114 /nfs/dbraw/zinc/67/51/14/556675114.db2.gz KTJOALRFNRIFRF-UHFFFAOYSA-N 0 0 432.505 4.304 50 0 IIAARN COc1ccc(C2=Nc3nc(CCCO)nn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000100806491 556675731 /nfs/dbraw/zinc/67/57/31/556675731.db2.gz OUWMUGGWZJAQPQ-LJQANCHMSA-N 0 0 441.329 4.030 50 0 IIAARN Cc1ccc(CNC(=O)CNC(=S)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000013520976 556675910 /nfs/dbraw/zinc/67/59/10/556675910.db2.gz CNCBMVFXKFLFMM-UHFFFAOYSA-N 0 0 435.568 4.327 50 0 IIAARN COc1ccc(CN(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)C2CC2)c(OC)c1 ZINC000032933214 556676593 /nfs/dbraw/zinc/67/65/93/556676593.db2.gz KWHZVFVUGLHUDW-UHFFFAOYSA-N 0 0 431.492 4.156 50 0 IIAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000011965584 556677379 /nfs/dbraw/zinc/67/73/79/556677379.db2.gz VYEBLSXYTFDXCV-NRFANRHFSA-N 0 0 447.564 4.064 50 0 IIAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1nc2c(s1)CCCC2 ZINC000011986827 556678326 /nfs/dbraw/zinc/67/83/26/556678326.db2.gz MKNNMHAIPYQTQG-CQSZACIVSA-N 0 0 427.473 4.482 50 0 IIAARN COc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(S(N)(=O)=O)cc3)c1-2 ZINC000017723239 556679073 /nfs/dbraw/zinc/67/90/73/556679073.db2.gz YUUWOCCOISNCRI-UZYVYHOESA-N 0 0 433.580 4.026 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999192 556679702 /nfs/dbraw/zinc/67/97/02/556679702.db2.gz ZEHCKSODJINURQ-UHFFFAOYSA-N 0 0 443.750 4.285 50 0 IIAARN CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012007451 556680574 /nfs/dbraw/zinc/68/05/74/556680574.db2.gz FGXDMLWKBBIHFD-UHFFFAOYSA-N 0 0 429.436 4.167 50 0 IIAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000017987132 556680902 /nfs/dbraw/zinc/68/09/02/556680902.db2.gz KTAZNXMOTFHTMF-OQRQZERFSA-N 0 0 445.563 4.345 50 0 IIAARN O=C(COc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(Br)cc1 ZINC000017987212 556680968 /nfs/dbraw/zinc/68/09/68/556680968.db2.gz XEENHAYLCUILCC-KDURUIRLSA-N 0 0 440.293 4.166 50 0 IIAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000018038113 556681923 /nfs/dbraw/zinc/68/19/23/556681923.db2.gz QFTKIUULTDAYCT-KVZSWVQQSA-N 0 0 433.548 4.131 50 0 IIAARN CCCOc1c(OC)cccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1 ZINC000018093949 556683918 /nfs/dbraw/zinc/68/39/18/556683918.db2.gz ZLYKGBYYVXHJHF-HXUWFJFHSA-N 0 0 425.554 4.224 50 0 IIAARN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1C ZINC000072313118 556688210 /nfs/dbraw/zinc/68/82/10/556688210.db2.gz RWGVDYMWXUADEG-HXUWFJFHSA-N 0 0 441.553 4.238 50 0 IIAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000071949190 556688777 /nfs/dbraw/zinc/68/87/77/556688777.db2.gz YKIXOSYBBVIKMV-HXUWFJFHSA-N 0 0 440.421 4.234 50 0 IIAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000032937781 556690531 /nfs/dbraw/zinc/69/05/31/556690531.db2.gz VOTKKJLJKAKPHG-HNNXBMFYSA-N 0 0 445.441 4.328 50 0 IIAARN O=c1c2ccc(Cl)cc2nc(SCC[S@](=O)c2ccccc2)n1C[C@@H]1CCCO1 ZINC000032937849 556690825 /nfs/dbraw/zinc/69/08/25/556690825.db2.gz KAEHLBQUOAAILJ-GUNSETOZSA-N 0 0 448.997 4.129 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ccc2c1cccc2NC(C)=O ZINC000252506936 556691156 /nfs/dbraw/zinc/69/11/56/556691156.db2.gz WDJXZGSPFDCVEE-JOCHJYFZSA-N 0 0 430.508 4.283 50 0 IIAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000252671671 556694221 /nfs/dbraw/zinc/69/42/21/556694221.db2.gz NXYNKVNHFOSILY-NHCUHLMSSA-N 0 0 434.584 4.439 50 0 IIAARN Cc1ccc(C(=O)NCCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)cc1F ZINC000033026105 556701942 /nfs/dbraw/zinc/70/19/42/556701942.db2.gz OSPQLNHZXFZUSD-UHFFFAOYSA-N 0 0 430.483 4.246 50 0 IIAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O ZINC000033026916 556703776 /nfs/dbraw/zinc/70/37/76/556703776.db2.gz GSMUYUFAWMMNJW-DEOSSOPVSA-N 0 0 446.478 4.369 50 0 IIAARN CCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027102 556704428 /nfs/dbraw/zinc/70/44/28/556704428.db2.gz DSZSZIWRDIPSAZ-UHFFFAOYSA-N 0 0 430.917 4.163 50 0 IIAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1OC ZINC000049992059 556708586 /nfs/dbraw/zinc/70/85/86/556708586.db2.gz KVEVQQOPDVUXEU-LCUIJRPUSA-N 0 0 431.448 4.344 50 0 IIAARN Cc1ccccc1OCC(=O)Nc1ccccc1Sc1nc(Br)nn1C ZINC000033036340 556719048 /nfs/dbraw/zinc/71/90/48/556719048.db2.gz ATMPAXHJEYDMAH-UHFFFAOYSA-N 0 0 433.331 4.055 50 0 IIAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)cc1 ZINC000072325027 556722915 /nfs/dbraw/zinc/72/29/15/556722915.db2.gz DWLUAXKUGSEILV-QPPBQGQZSA-N 0 0 448.563 4.043 50 0 biogenic IIAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1CCc1cccs1 ZINC000005191537 556723682 /nfs/dbraw/zinc/72/36/82/556723682.db2.gz JLNTWMAQTJGJOP-CMJOXMDJSA-N 0 0 427.570 4.093 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1CCc1cccs1 ZINC000005191952 556723710 /nfs/dbraw/zinc/72/37/10/556723710.db2.gz QUMCQKZWFWQSGI-UHFFFAOYSA-N 0 0 427.570 4.093 50 0 IIAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000072328319 556725269 /nfs/dbraw/zinc/72/52/69/556725269.db2.gz UMEKHKMHOMXGBJ-IBGZPJMESA-N 0 0 434.989 4.181 50 0 IIAARN Cc1cccc(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Br)c3)CC2)c1C ZINC000072328686 556726529 /nfs/dbraw/zinc/72/65/29/556726529.db2.gz FRSXPHFTUGCTPF-UHFFFAOYSA-N 0 0 439.357 4.418 50 0 IIAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)[nH]n1 ZINC000072331270 556730130 /nfs/dbraw/zinc/73/01/30/556730130.db2.gz QTNIEYPFWVURNJ-UHFFFAOYSA-N 0 0 446.551 4.421 50 0 IIAARN CCOc1ccc(CN(C)C(=O)COC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000019299301 556735083 /nfs/dbraw/zinc/73/50/83/556735083.db2.gz KSOONFBZEHZXOB-UHFFFAOYSA-N 0 0 442.512 4.248 50 0 IIAARN CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CCCCC3)n2CCOC)cc1 ZINC000055153912 556736412 /nfs/dbraw/zinc/73/64/12/556736412.db2.gz OJHGTUYYDINRHO-UHFFFAOYSA-N 0 0 447.645 4.078 50 0 IIAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)[C@H](C)C3CC3)C2=O)cc1 ZINC000019353763 556744906 /nfs/dbraw/zinc/74/49/06/556744906.db2.gz RRJCHRRHABWOJM-XHCCPWGMSA-N 0 0 447.579 4.233 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C(C)(C)C)no3)nnc2N2CCCC2)cc1 ZINC000019356528 556745159 /nfs/dbraw/zinc/74/51/59/556745159.db2.gz WZKGMQNGIKDQHH-UHFFFAOYSA-N 0 0 440.573 4.192 50 0 IIAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1cc(F)cc(F)c1 ZINC000033048970 556746131 /nfs/dbraw/zinc/74/61/31/556746131.db2.gz WPLDVMWMKKXEJT-UHFFFAOYSA-N 0 0 439.849 4.312 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1OC ZINC000057243096 556746916 /nfs/dbraw/zinc/74/69/16/556746916.db2.gz KIQOSLIQJCBFCF-UHFFFAOYSA-N 0 0 449.526 4.417 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nc(SC)sc3c1)C[C@@H]2O ZINC000057997454 556752088 /nfs/dbraw/zinc/75/20/88/556752088.db2.gz WFNXOIIMHMBAHO-AWEZNQCLSA-N 0 0 431.539 4.117 50 0 IIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1CN1CCOCC1 ZINC000058022978 556754587 /nfs/dbraw/zinc/75/45/87/556754587.db2.gz XEDYMLXFRTZQMZ-UHFFFAOYSA-N 0 0 441.535 4.203 50 0 IIAARN COC(=O)C[C@H](NC(=O)COCc1ccccc1Cl)c1cccc(Br)c1 ZINC000058024373 556754802 /nfs/dbraw/zinc/75/48/02/556754802.db2.gz FBFULEGPGYEYSZ-KRWDZBQOSA-N 0 0 440.721 4.040 50 0 IIAARN S=c1n(CN2CCN(c3ccccc3)CC2)nc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000058123864 556759530 /nfs/dbraw/zinc/75/95/30/556759530.db2.gz PQDIYMCMQGUIAG-IBGZPJMESA-N 0 0 441.626 4.101 50 0 IIAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]1(C)CC1(Br)Br ZINC000002258621 556760045 /nfs/dbraw/zinc/76/00/45/556760045.db2.gz CMJCDTNSPMHKPF-OAHLLOKOSA-N 0 0 444.123 4.098 50 0 IIAARN CCOC(=O)c1sc2nc(C)nc(Sc3nnc(Cc4cccs4)n3C)c2c1C ZINC000058135395 556760597 /nfs/dbraw/zinc/76/05/97/556760597.db2.gz XLWCMZKDWZLKEV-UHFFFAOYSA-N 0 0 445.595 4.417 50 0 IIAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000058159510 556763796 /nfs/dbraw/zinc/76/37/96/556763796.db2.gz ZPQUALWCRMZGCO-GOSISDBHSA-N 0 0 431.895 4.232 50 0 IIAARN O=C(CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)Nc1ccnn1C1CCCC1 ZINC000058159854 556764148 /nfs/dbraw/zinc/76/41/48/556764148.db2.gz AZQGFJWBXHVVNW-KRWDZBQOSA-N 0 0 438.507 4.005 50 0 IIAARN Cc1cc(=O)c(C(=O)NC2(c3ccccc3)CCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058171386 556768282 /nfs/dbraw/zinc/76/82/82/556768282.db2.gz ICPHNXKMGLVODD-UHFFFAOYSA-N 0 0 427.426 4.369 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCn3cccc3[C@@H]2C)cc1 ZINC000058173854 556768804 /nfs/dbraw/zinc/76/88/04/556768804.db2.gz STCQSLUMNTWYGC-DFBJGRDBSA-N 0 0 428.536 4.251 50 0 IIAARN Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176695 556769721 /nfs/dbraw/zinc/76/97/21/556769721.db2.gz LFLRTFIAUBMVET-UHFFFAOYSA-N 0 0 429.564 4.123 50 0 IIAARN Cc1cccc(NC[C@@H](O)COc2ccc(OC[C@H](O)CNc3cccc(C)c3)cc2)c1 ZINC000001227793 556769981 /nfs/dbraw/zinc/76/99/81/556769981.db2.gz BJNITXOIVZEKEY-DNQXCXABSA-N 0 0 436.552 4.007 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000058210510 556771912 /nfs/dbraw/zinc/77/19/12/556771912.db2.gz PMAIEBORFLWZNK-FCHUYYIVSA-N 0 0 443.569 4.077 50 0 IIAARN CCOc1ccc(-n2c(SCCS(C)(=O)=O)nnc2-c2ccccc2Cl)cc1 ZINC000058210666 556772330 /nfs/dbraw/zinc/77/23/30/556772330.db2.gz FYIPIGRCPWRXRL-UHFFFAOYSA-N 0 0 437.974 4.123 50 0 IIAARN O=C(Nc1ccccc1F)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000058290414 556777835 /nfs/dbraw/zinc/77/78/35/556777835.db2.gz AXZHPNBUYSXYTA-NRFANRHFSA-N 0 0 428.460 4.114 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(c3cc(C)ccc3C)C(C)C)CC2)cc1 ZINC000058311159 556779774 /nfs/dbraw/zinc/77/97/74/556779774.db2.gz GGNYTQLXZBIJBD-UHFFFAOYSA-N 0 0 428.598 4.454 50 0 IIAARN CC(C)C[C@H](CNC(=O)Nc1cccc(CSc2ccccn2)c1)N1CCOCC1 ZINC000058392782 556785028 /nfs/dbraw/zinc/78/50/28/556785028.db2.gz LRXLBLFOWQTAQN-OAQYLSRUSA-N 0 0 428.602 4.242 50 0 IIAARN CC(C)(C)c1ncc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cn1 ZINC000058419162 556787434 /nfs/dbraw/zinc/78/74/34/556787434.db2.gz WVFNPZLNMQGEKR-UHFFFAOYSA-N 0 0 445.361 4.028 50 0 IIAARN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000058440070 556788959 /nfs/dbraw/zinc/78/89/59/556788959.db2.gz AFWNYEKWBKRKIK-ILBGXUMGSA-N 0 0 434.536 4.167 50 0 IIAARN CCCNC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002629494 556801163 /nfs/dbraw/zinc/80/11/63/556801163.db2.gz NRPIJBFMSDMWBR-UHFFFAOYSA-N 0 0 427.298 4.347 50 0 IIAARN CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002651072 556802210 /nfs/dbraw/zinc/80/22/10/556802210.db2.gz GHFQKMHAXODJAY-UHFFFAOYSA-N 0 0 438.549 4.223 50 0 IIAARN COc1cc2cc(C(=O)Nc3ccc(Oc4ccc5c(c4)OCO5)nc3)n(C)c2cc1OC ZINC000072402107 556802321 /nfs/dbraw/zinc/80/23/21/556802321.db2.gz NEWGIMWYBDYWPU-UHFFFAOYSA-N 0 0 447.447 4.364 50 0 IIAARN CCc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005442070 556803487 /nfs/dbraw/zinc/80/34/87/556803487.db2.gz LKMQNGUZHCOTBZ-HXUWFJFHSA-N 0 0 425.550 4.442 50 0 IIAARN Cc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)ccc1Br ZINC000003221377 556805477 /nfs/dbraw/zinc/80/54/77/556805477.db2.gz GXCSLRKEJZDATN-SFHVURJKSA-N 0 0 429.314 4.407 50 0 IIAARN Cc1ccc(C)c(SCC(=O)OCC(=O)COC(=O)CSc2cc(C)ccc2C)c1 ZINC000003226255 556805810 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O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000017305236 557052051 /nfs/dbraw/zinc/05/20/51/557052051.db2.gz BOBMPBQQWYJWLS-UHFFFAOYSA-N 0 0 439.309 4.397 50 0 IIAARN CCCn1c(SCC(=O)NCCC(C)C)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033273897 557053214 /nfs/dbraw/zinc/05/32/14/557053214.db2.gz UHIYSNVFDNBBRD-UHFFFAOYSA-N 0 0 426.586 4.066 50 0 IIAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000048288501 557054057 /nfs/dbraw/zinc/05/40/57/557054057.db2.gz GDIFDFHIAVDFCJ-CYBMUJFWSA-N 0 0 436.459 4.336 50 0 IIAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017308134 557054215 /nfs/dbraw/zinc/05/42/15/557054215.db2.gz WALCOUFZACWSJU-UHFFFAOYSA-N 0 0 436.533 4.479 50 0 IIAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2Cl)c1 ZINC000022974531 557055324 /nfs/dbraw/zinc/05/53/24/557055324.db2.gz HEQZSGUHJQUXHR-UHFFFAOYSA-N 0 0 448.953 4.239 50 0 IIAARN CC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033276394 557056415 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50 0 IIAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(OC)c1 ZINC000023119003 557064484 /nfs/dbraw/zinc/06/44/84/557064484.db2.gz VFJFWLGBRZKVFY-UHFFFAOYSA-N 0 0 434.521 4.151 50 0 IIAARN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2)no1 ZINC000023126842 557065416 /nfs/dbraw/zinc/06/54/16/557065416.db2.gz IWPQKKIHSHPNEB-UHFFFAOYSA-N 0 0 441.490 4.019 50 0 IIAARN CCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)cc1 ZINC000033288301 557065497 /nfs/dbraw/zinc/06/54/97/557065497.db2.gz OXNMRSDKSZWZDI-UHFFFAOYSA-N 0 0 446.551 4.373 50 0 IIAARN COc1cc(NC(=O)CSc2nccnc2Sc2ccccc2)cc(OC)c1OC ZINC000033288857 557066115 /nfs/dbraw/zinc/06/61/15/557066115.db2.gz OWQIWIZAONIRNE-UHFFFAOYSA-N 0 0 443.550 4.384 50 0 IIAARN COc1ccc2oc(-c3csc(NC(=O)c4cccc(S(C)(=O)=O)c4)n3)cc2c1 ZINC000010883684 557068236 /nfs/dbraw/zinc/06/82/36/557068236.db2.gz HDRMGOQDCVFCBK-UHFFFAOYSA-N 0 0 428.491 4.221 50 0 IIAARN CCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290944 557069108 /nfs/dbraw/zinc/06/91/08/557069108.db2.gz BJXYYRJJBHUKNQ-OAHLLOKOSA-N 0 0 440.887 4.285 50 0 IIAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048331937 557069566 /nfs/dbraw/zinc/06/95/66/557069566.db2.gz WMLFMEBRIGXEAQ-DENIHFKCSA-N 0 0 448.567 4.044 50 0 IIAARN CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(F)cc3)c21 ZINC000033291544 557069711 /nfs/dbraw/zinc/06/97/11/557069711.db2.gz GMSXOYDXKDNBSC-UHFFFAOYSA-N 0 0 431.515 4.400 50 0 IIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000048341192 557071064 /nfs/dbraw/zinc/07/10/64/557071064.db2.gz BDFSCOGGFYSXQF-MRXNPFEDSA-N 0 0 431.517 4.040 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000033289885 557071600 /nfs/dbraw/zinc/07/16/00/557071600.db2.gz BWUIEHWSIBZZCV-HXUWFJFHSA-N 0 0 432.524 4.424 50 0 IIAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)COc4cccc(C)c4)C3)n2)c1 ZINC000033289864 557071618 /nfs/dbraw/zinc/07/16/18/557071618.db2.gz BLXNLVVNFWNRDL-IBGZPJMESA-N 0 0 448.523 4.179 50 0 IIAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C)cs4)sc3C)CC2)c1 ZINC000033289957 557071829 /nfs/dbraw/zinc/07/18/29/557071829.db2.gz KAEJAYHPAWGZCO-UHFFFAOYSA-N 0 0 449.623 4.008 50 0 IIAARN Cc1sc(CNS(=O)(=O)CCn2cnc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000048353723 557071910 /nfs/dbraw/zinc/07/19/10/557071910.db2.gz IUQCRVJGJSVVOL-UHFFFAOYSA-N 0 0 446.985 4.241 50 0 IIAARN O=C(CCc1nc(-c2cccs2)no1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023193061 557072359 /nfs/dbraw/zinc/07/23/59/557072359.db2.gz ZOCKBISFOWTKOX-UHFFFAOYSA-N 0 0 430.961 4.119 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccccc3)c3ccccn3)C2)c1 ZINC000048361745 557073541 /nfs/dbraw/zinc/07/35/41/557073541.db2.gz BSIFLOIIQQTFDB-RCZVLFRGSA-N 0 0 427.548 4.456 50 0 IIAARN O=C(CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)Nc1ccc(F)c(F)c1 ZINC000048363503 557074726 /nfs/dbraw/zinc/07/47/26/557074726.db2.gz QLQDVLYETYRADC-UHFFFAOYSA-N 0 0 432.430 4.186 50 0 IIAARN Cc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1F ZINC000033293206 557076313 /nfs/dbraw/zinc/07/63/13/557076313.db2.gz IRQNWQRQZQJOHN-UHFFFAOYSA-N 0 0 438.846 4.305 50 0 IIAARN COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000033293714 557076354 /nfs/dbraw/zinc/07/63/54/557076354.db2.gz FTAOQKSGSRXNPH-MHWRWJLKSA-N 0 0 432.295 4.472 50 0 IIAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(Cl)nc2ccccn21 ZINC000048374663 557076716 /nfs/dbraw/zinc/07/67/16/557076716.db2.gz QMFABLOVRQGTTA-UHFFFAOYSA-N 0 0 425.703 4.395 50 0 IIAARN O=C(CN(Cc1ccco1)C(=O)C1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000023271605 557081521 /nfs/dbraw/zinc/08/15/21/557081521.db2.gz OFOPBTMBDMHFFF-UHFFFAOYSA-N 0 0 444.837 4.346 50 0 IIAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccccc3C)c2n1 ZINC000049002069 557081727 /nfs/dbraw/zinc/08/17/27/557081727.db2.gz HDMMALWMFWEHME-UHFFFAOYSA-N 0 0 444.466 4.043 50 0 IIAARN CCN(Cc1ccccc1)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1 ZINC000033300631 557081846 /nfs/dbraw/zinc/08/18/46/557081846.db2.gz SZJRZOCAQWQKLC-UHFFFAOYSA-N 0 0 427.504 4.258 50 0 IIAARN COc1cccc(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncn2)c1 ZINC000033300764 557082693 /nfs/dbraw/zinc/08/26/93/557082693.db2.gz DDFSNXJQDCIAFV-UHFFFAOYSA-N 0 0 430.552 4.412 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1c(C)noc1Cl)CC2 ZINC000072280533 557082715 /nfs/dbraw/zinc/08/27/15/557082715.db2.gz VJIDRWURQRFEQD-FQEVSTJZSA-N 0 0 432.929 4.432 50 0 IIAARN COc1ccc(C2=NN(C(=O)COC(=O)c3c[nH]c4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000023298043 557083133 /nfs/dbraw/zinc/08/31/33/557083133.db2.gz PHFCJLXUZLIMAJ-JOCHJYFZSA-N 0 0 443.459 4.304 50 0 IIAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)n3C(C)C)no1 ZINC000033306887 557084933 /nfs/dbraw/zinc/08/49/33/557084933.db2.gz PSFRHWMZLXVPRI-UHFFFAOYSA-N 0 0 443.866 4.174 50 0 IIAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2cccc(C)c2)s1 ZINC000033306587 557085736 /nfs/dbraw/zinc/08/57/36/557085736.db2.gz NYQMAZNNTSSFTP-CSKARUKUSA-N 0 0 445.566 4.350 50 0 IIAARN O=C(NCCc1ccc(Cl)cc1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 ZINC000049007811 557086025 /nfs/dbraw/zinc/08/60/25/557086025.db2.gz BADRKLAVZCZSIJ-UHFFFAOYSA-N 0 0 426.929 4.180 50 0 IIAARN CCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(-c2ccc(-c3ccccc3)nn2)c1C ZINC000033308018 557087225 /nfs/dbraw/zinc/08/72/25/557087225.db2.gz WGVCHPTZGPZRLG-UHFFFAOYSA-N 0 0 447.564 4.157 50 0 IIAARN Cc1cccc(Nc2nc(CC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)n1 ZINC000049029575 557088932 /nfs/dbraw/zinc/08/89/32/557088932.db2.gz UQSDPARDFJGGAQ-UHFFFAOYSA-N 0 0 427.961 4.135 50 0 IIAARN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023382311 557089527 /nfs/dbraw/zinc/08/95/27/557089527.db2.gz DCFDFPVSRRPJKH-JPYJTQIMSA-N 0 0 440.503 4.285 50 0 IIAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382290 557089645 /nfs/dbraw/zinc/08/96/45/557089645.db2.gz PWLNDPWHOUZPKF-QRWLVFNGSA-N 0 0 438.915 4.094 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760008 557090075 /nfs/dbraw/zinc/09/00/75/557090075.db2.gz NTAZBARZJHNEHL-RTWAWAEBSA-N 0 0 428.554 4.078 50 0 IIAARN O=c1ccc(-c2ccc(F)cc2)nn1CCc1nc(-c2ccc(Br)cc2)no1 ZINC000033309858 557092647 /nfs/dbraw/zinc/09/26/47/557092647.db2.gz SFUPDWJIEHEKKK-UHFFFAOYSA-N 0 0 441.260 4.105 50 0 IIAARN C[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2S1 ZINC000017525754 557093002 /nfs/dbraw/zinc/09/30/02/557093002.db2.gz HXVWLFYLERRWON-SJORKVTESA-N 0 0 448.585 4.144 50 0 IIAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)cc1 ZINC000033310255 557093528 /nfs/dbraw/zinc/09/35/28/557093528.db2.gz KEQYNXXKPASYJL-IBGZPJMESA-N 0 0 443.592 4.159 50 0 IIAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000023475268 557093584 /nfs/dbraw/zinc/09/35/84/557093584.db2.gz ZZTSZWMBUVQLGC-UHFFFAOYSA-N 0 0 443.455 4.051 50 0 IIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000033310273 557093940 /nfs/dbraw/zinc/09/39/40/557093940.db2.gz WDYHYOJJOVZRMI-SFHVURJKSA-N 0 0 435.528 4.101 50 0 IIAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCc4cccnc4)CC3)ncn2)c1 ZINC000049402008 557097327 /nfs/dbraw/zinc/09/73/27/557097327.db2.gz RSBVXIFKBYSOBH-UHFFFAOYSA-N 0 0 433.581 4.172 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c(C)c1 ZINC000033312894 557097653 /nfs/dbraw/zinc/09/76/53/557097653.db2.gz VWKUODNEDFVZNT-CUNXSJBXSA-N 0 0 447.623 4.339 50 0 IIAARN Cc1ccnn1-c1cc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ncn1 ZINC000049404357 557099529 /nfs/dbraw/zinc/09/95/29/557099529.db2.gz VOSFSFCTBZDSHA-UHFFFAOYSA-N 0 0 427.839 4.374 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccc(C)cc3)cccn12 ZINC000049404874 557099818 /nfs/dbraw/zinc/09/98/18/557099818.db2.gz KHXVVFTZSRQNPQ-UHFFFAOYSA-N 0 0 428.464 4.020 50 0 IIAARN Cc1ccc(C)c(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2cccn3cnnc23)c1 ZINC000049405005 557100087 /nfs/dbraw/zinc/10/00/87/557100087.db2.gz TXRBVNNSAXJFPT-UHFFFAOYSA-N 0 0 428.464 4.020 50 0 IIAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(Cl)cc3)cccn12 ZINC000049405211 557100659 /nfs/dbraw/zinc/10/06/59/557100659.db2.gz JAYBVXGINNEQKG-UHFFFAOYSA-N 0 0 426.929 4.395 50 0 IIAARN CCc1noc(-c2ccc(SCC(=O)Nc3ccc(Br)c(C)c3)nc2)n1 ZINC000049405530 557100666 /nfs/dbraw/zinc/10/06/66/557100666.db2.gz VPENQQPDZJLXST-UHFFFAOYSA-N 0 0 433.331 4.496 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000023650016 557103214 /nfs/dbraw/zinc/10/32/14/557103214.db2.gz GFBVRWCCDAPASS-NRFANRHFSA-N 0 0 430.552 4.117 50 0 IIAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3Cl)c3cccc(F)c3)cn12 ZINC000049408484 557103446 /nfs/dbraw/zinc/10/34/46/557103446.db2.gz DFSAYKVTQCMEDU-UHFFFAOYSA-N 0 0 430.892 4.226 50 0 IIAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000011347610 557103545 /nfs/dbraw/zinc/10/35/45/557103545.db2.gz XDXGAKGONFMEAG-HNNXBMFYSA-N 0 0 449.536 4.174 50 0 IIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000023685378 557106720 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50 0 IIAARN COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000011612906 557230319 /nfs/dbraw/zinc/23/03/19/557230319.db2.gz HQZNLOICNGIQHN-INIZCTEOSA-N 0 0 440.924 4.060 50 0 IIAARN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2)nc(C)n1 ZINC000011613292 557230670 /nfs/dbraw/zinc/23/06/70/557230670.db2.gz DFYULJIWJOQVHU-UHFFFAOYSA-N 0 0 442.541 4.435 50 0 IIAARN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000025933747 557230741 /nfs/dbraw/zinc/23/07/41/557230741.db2.gz SRTNHBXBAZFKNC-UHFFFAOYSA-N 0 0 442.475 4.107 50 0 IIAARN Cc1nc(-c2ccc(CCNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)s2)cs1 ZINC000025942688 557230756 /nfs/dbraw/zinc/23/07/56/557230756.db2.gz NUZIDQUUAIPPPQ-UHFFFAOYSA-N 0 0 442.562 4.273 50 0 IIAARN COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1OC ZINC000098212643 557235776 /nfs/dbraw/zinc/23/57/76/557235776.db2.gz YWRGIKRAOZGKCR-UHFFFAOYSA-N 0 0 440.931 4.146 50 0 IIAARN CC(=O)Nc1cccc(-n2c(S[C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)nnc2C2CC2)c1 ZINC000026135035 557236197 /nfs/dbraw/zinc/23/61/97/557236197.db2.gz LBIOYSSXFPHLDW-HRCADAONSA-N 0 0 441.601 4.088 50 0 IIAARN COc1ccc(OCCN2CCN(C(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC000018112101 557237931 /nfs/dbraw/zinc/23/79/31/557237931.db2.gz YRCPCRRAJZNOPB-UHFFFAOYSA-N 0 0 444.622 4.011 50 0 IIAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CC[C@H](Cc1ccccc1)c1ccco1 ZINC000604405961 557239190 /nfs/dbraw/zinc/23/91/90/557239190.db2.gz UWFJQJYRTFYPSA-ZIQWBNGJSA-N 0 0 444.531 4.222 50 0 biogenic IIAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1C ZINC000018147982 557243188 /nfs/dbraw/zinc/24/31/88/557243188.db2.gz LGFWJWNRTVTSIY-UHFFFAOYSA-N 0 0 443.547 4.492 50 0 IIAARN COc1ccc([C@@H]2CCCCCN2C(=O)CSCc2cc(=O)n3ccsc3n2)cc1 ZINC000026556408 557244867 /nfs/dbraw/zinc/24/48/67/557244867.db2.gz CWBQHZZWXAYJKL-IBGZPJMESA-N 0 0 443.594 4.142 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3Cl)c(=O)[nH]2)cc1 ZINC000018191197 557246288 /nfs/dbraw/zinc/24/62/88/557246288.db2.gz UIPQFMCQBTUKAM-UHFFFAOYSA-N 0 0 429.929 4.062 50 0 IIAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000026862551 557249710 /nfs/dbraw/zinc/24/97/10/557249710.db2.gz ZVTSRJUJWKHBGP-UHFFFAOYSA-N 0 0 433.382 4.158 50 0 IIAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000026907132 557250951 /nfs/dbraw/zinc/25/09/51/557250951.db2.gz IRFGYOQMQZJKTO-IYWMVGAKSA-N 0 0 427.287 4.098 50 0 IIAARN COc1ccc(-c2ccnc3nc(CCCc4c[nH]c5ccccc45)nn32)c(OC)c1OC ZINC000604419065 557251229 /nfs/dbraw/zinc/25/12/29/557251229.db2.gz SHQMCNBPBILBMD-UHFFFAOYSA-N 0 0 443.507 4.474 50 0 IIAARN O=C(CSc1ncnc2ccsc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000026960843 557252493 /nfs/dbraw/zinc/25/24/93/557252493.db2.gz VTFYSARGAPLRKA-MRXNPFEDSA-N 0 0 427.551 4.308 50 0 IIAARN O=C(CSc1ncnc2ccsc21)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000026964321 557252913 /nfs/dbraw/zinc/25/29/13/557252913.db2.gz ILBMGLCMIBXUGN-UHFFFAOYSA-N 0 0 427.551 4.140 50 0 IIAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390829284 557252934 /nfs/dbraw/zinc/25/29/34/557252934.db2.gz XYNBKIWEZYWJSX-UHFFFAOYSA-N 0 0 441.560 4.062 50 0 IIAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000027017531 557254323 /nfs/dbraw/zinc/25/43/23/557254323.db2.gz WMIMZMYPLPIYKC-QHCPKHFHSA-N 0 0 443.503 4.390 50 0 IIAARN COc1cc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)ccc1OCCC(C)C ZINC000027021569 557255216 /nfs/dbraw/zinc/25/52/16/557255216.db2.gz QYVQWWLCKQLPCC-RDZUBIMISA-N 0 0 447.560 4.303 50 0 IIAARN CCCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)s1 ZINC000027022804 557255623 /nfs/dbraw/zinc/25/56/23/557255623.db2.gz NQNBPXNYXKYDBY-LJQANCHMSA-N 0 0 433.489 4.355 50 0 IIAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1OC ZINC000000817576 557258076 /nfs/dbraw/zinc/25/80/76/557258076.db2.gz UMFBBHSBXHMWKV-QHCPKHFHSA-N 0 0 438.505 4.323 50 0 IIAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1 ZINC000027154662 557258242 /nfs/dbraw/zinc/25/82/42/557258242.db2.gz KRRHGCNKOAZMLR-UHFFFAOYSA-N 0 0 431.517 4.011 50 0 IIAARN COc1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(OC)cc3OC)C2=O)c1 ZINC000101189235 557263093 /nfs/dbraw/zinc/26/30/93/557263093.db2.gz FFFXXKUUVIYLOW-QNGOZBTKSA-N 0 0 430.460 4.352 50 0 IIAARN CCOc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)c1 ZINC000100560642 557264603 /nfs/dbraw/zinc/26/46/03/557264603.db2.gz HLYZQZTVICQJTN-NRFANRHFSA-N 0 0 434.517 4.242 50 0 IIAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101220323 557266143 /nfs/dbraw/zinc/26/61/43/557266143.db2.gz ZWASGVCXVNBOPB-VXNXHJTFSA-N 0 0 428.488 4.132 50 0 IIAARN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)c1 ZINC000027937159 557266380 /nfs/dbraw/zinc/26/63/80/557266380.db2.gz PMIPFAPGMHAQDO-UHFFFAOYSA-N 0 0 438.910 4.304 50 0 IIAARN COc1ccc(CN(Cc2csc(-c3ccccc3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027650410 557268592 /nfs/dbraw/zinc/26/85/92/557268592.db2.gz DFLMJGFCSNKCOC-HXUWFJFHSA-N 0 0 428.579 4.008 50 0 IIAARN COc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1 ZINC000027662299 557268824 /nfs/dbraw/zinc/26/88/24/557268824.db2.gz RJWIAEJHACBWCI-UHFFFAOYSA-N 0 0 427.298 4.465 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)no2)cc1 ZINC000027664266 557270215 /nfs/dbraw/zinc/27/02/15/557270215.db2.gz ARYLGHKZWUODCF-KRWDZBQOSA-N 0 0 439.537 4.323 50 0 IIAARN COc1ccccc1N1CCN(C(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)CC1 ZINC000027756175 557273570 /nfs/dbraw/zinc/27/35/70/557273570.db2.gz XYIWTPLCJWBCSI-UHFFFAOYSA-N 0 0 433.291 4.071 50 0 IIAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000100743710 557274521 /nfs/dbraw/zinc/27/45/21/557274521.db2.gz CCQJWCMVPHKRQN-QZTJIDSGSA-N 0 0 428.282 4.348 50 0 IIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 ZINC000027794945 557274774 /nfs/dbraw/zinc/27/47/74/557274774.db2.gz FJHRUGJGQQGMAP-UHFFFAOYSA-N 0 0 425.510 4.077 50 0 IIAARN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]21 ZINC000100744227 557275378 /nfs/dbraw/zinc/27/53/78/557275378.db2.gz YGJHETJKGOEWDE-UQIDSAAFSA-N 0 0 437.879 4.081 50 0 IIAARN O=C(COc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccc(Br)cc1 ZINC000100838686 557276929 /nfs/dbraw/zinc/27/69/29/557276929.db2.gz JPZODDCFKCFDAL-RTBURBONSA-N 0 0 442.309 4.390 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(Cl)c12 ZINC000011665720 557292010 /nfs/dbraw/zinc/29/20/10/557292010.db2.gz MWPZIKGVLOXUPM-UHFFFAOYSA-N 0 0 438.846 4.180 50 0 IIAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccccc1Oc1ccccc1 ZINC000014070060 557297401 /nfs/dbraw/zinc/29/74/01/557297401.db2.gz LDHBJJLKMSKNHQ-UHFFFAOYSA-N 0 0 425.535 4.305 50 0 IIAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3F)C(=O)C2)cc1 ZINC000101916237 557303632 /nfs/dbraw/zinc/30/36/32/557303632.db2.gz XPLBCJVKDMASCV-UHFFFAOYSA-N 0 0 435.430 4.470 50 0 IIAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000101881588 557305346 /nfs/dbraw/zinc/30/53/46/557305346.db2.gz KNBYPSGGDATZQR-UHFFFAOYSA-N 0 0 428.492 4.203 50 0 IIAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(SC)c3)C(=O)C2)cc1 ZINC000101881501 557305379 /nfs/dbraw/zinc/30/53/79/557305379.db2.gz ACLNRYDETKGYOG-UHFFFAOYSA-N 0 0 446.532 4.308 50 0 IIAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)c1 ZINC000101881861 557305696 /nfs/dbraw/zinc/30/56/96/557305696.db2.gz QWOFUTNTGNDDEE-UHFFFAOYSA-N 0 0 428.492 4.203 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000014129134 557308133 /nfs/dbraw/zinc/30/81/33/557308133.db2.gz KXRHWKBWGFXNHT-QGZVFWFLSA-N 0 0 432.476 4.408 50 0 IIAARN O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000102129025 557313150 /nfs/dbraw/zinc/31/31/50/557313150.db2.gz WENNMXKQCLJCJF-OAHLLOKOSA-N 0 0 449.429 4.282 50 0 IIAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)n[nH]2)cc1 ZINC000014166810 557313236 /nfs/dbraw/zinc/31/32/36/557313236.db2.gz LDCRXDCPXOCSOJ-UHFFFAOYSA-N 0 0 435.553 4.183 50 0 IIAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1OC ZINC000024434288 557318797 /nfs/dbraw/zinc/31/87/97/557318797.db2.gz KECLQHUMTFNJCY-LPHOPBHVSA-N 0 0 428.916 4.074 50 0 IIAARN CC(C)Sc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1 ZINC000102390182 557320674 /nfs/dbraw/zinc/32/06/74/557320674.db2.gz IOFMUAABVJETIH-UXHICEINSA-N 0 0 428.623 4.266 50 0 IIAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000033006735 557320750 /nfs/dbraw/zinc/32/07/50/557320750.db2.gz XCMJIABNTCYBRP-UHFFFAOYSA-N 0 0 443.572 4.470 50 0 IIAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(C)c4)ccc3n2)CC1 ZINC000033010349 557321039 /nfs/dbraw/zinc/32/10/39/557321039.db2.gz JKQGOSCQRIHONY-UHFFFAOYSA-N 0 0 432.524 4.026 50 0 IIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2nc1N1CCOCC1 ZINC000033086109 557322157 /nfs/dbraw/zinc/32/21/57/557322157.db2.gz VDGVCLYLNQHTPR-UHFFFAOYSA-N 0 0 436.821 4.391 50 0 IIAARN CC(C)(C)OC(=O)N1CCC(NC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033171373 557326573 /nfs/dbraw/zinc/32/65/73/557326573.db2.gz VJTPURLMHYAAOX-UHFFFAOYSA-N 0 0 426.542 4.216 50 0 IIAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173433 557327166 /nfs/dbraw/zinc/32/71/66/557327166.db2.gz PCXUUANGGRTFBH-UHFFFAOYSA-N 0 0 426.416 4.156 50 0 IIAARN COc1cc(NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc(OC)c1 ZINC000033264322 557327876 /nfs/dbraw/zinc/32/78/76/557327876.db2.gz BIRXEJKFDHOWFU-IBGZPJMESA-N 0 0 425.529 4.254 50 0 IIAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCC(O)CC2)[C@H]1c1cccs1 ZINC000257173514 557338145 /nfs/dbraw/zinc/33/81/45/557338145.db2.gz PHXRWQOTPJEZHT-WUEBJWAZSA-N 0 0 426.582 4.105 50 0 IIAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000072318947 557339761 /nfs/dbraw/zinc/33/97/61/557339761.db2.gz PDLXFARPOZDWIS-ZDSQJECRSA-N 0 0 428.488 4.401 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)NCC(C)(C)C)cc3)c(C)c2Br)o1 ZINC000023332116 557344246 /nfs/dbraw/zinc/34/42/46/557344246.db2.gz DBWVXIRKMZOUHW-UHFFFAOYSA-N 0 0 432.322 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CC(C)(CO)NC(=O)Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000044035121 568746282 /nfs/dbraw/zinc/74/62/82/568746282.db2.gz RNNIIWCVRSTAGM-UHFFFAOYSA-N 0 0 431.536 4.027 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F ZINC000003340282 568746539 /nfs/dbraw/zinc/74/65/39/568746539.db2.gz DRESHAHIKCBMQT-UHFFFAOYSA-N 0 0 436.892 4.210 50 0 IIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2CSc2nc[nH]n2)cc1OCC ZINC000003432107 568749070 /nfs/dbraw/zinc/74/90/70/568749070.db2.gz HNQVFPFIHKDUGP-OAHLLOKOSA-N 0 0 426.542 4.385 50 0 IIAARN CCOc1ncccc1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003442794 568749501 /nfs/dbraw/zinc/74/95/01/568749501.db2.gz JVMUTBBUBFCBEC-UHFFFAOYSA-N 0 0 442.475 4.129 50 0 IIAARN CCOCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nc2ccccc2c1=O ZINC000003500307 568750193 /nfs/dbraw/zinc/75/01/93/568750193.db2.gz TVWIWFNMMKMXMB-QGZVFWFLSA-N 0 0 425.554 4.251 50 0 IIAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)c1ccc(OC)cc1 ZINC000003623283 568751686 /nfs/dbraw/zinc/75/16/86/568751686.db2.gz LZCJGNMPFPVYEH-FQEVSTJZSA-N 0 0 447.940 4.475 50 0 IIAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)ccc1O ZINC000003643796 568752366 /nfs/dbraw/zinc/75/23/66/568752366.db2.gz DMDAEDQUSUDNHL-SFHVURJKSA-N 0 0 449.488 4.232 50 0 IIAARN CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1O ZINC000003667670 568753900 /nfs/dbraw/zinc/75/39/00/568753900.db2.gz WVFCWWRQOPYYHU-GDNBJRDFSA-N 0 0 439.375 4.286 50 0 IIAARN NC(=O)COc1cccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c1 ZINC000263585400 568759091 /nfs/dbraw/zinc/75/90/91/568759091.db2.gz IDGLWHMSVCHUKV-HXUWFJFHSA-N 0 0 425.488 4.028 50 0 biogenic IIAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000015355457 568759517 /nfs/dbraw/zinc/75/95/17/568759517.db2.gz KUDDAKLWNWEYQP-VGOFRKELSA-N 0 0 439.508 4.411 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000001252817 568774987 /nfs/dbraw/zinc/77/49/87/568774987.db2.gz HXYAMZFDHGOOMP-NRFANRHFSA-N 0 0 440.496 4.383 50 0 IIAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000001260257 568775413 /nfs/dbraw/zinc/77/54/13/568775413.db2.gz XAWKSWXGTFLRTF-XJKSGUPXSA-N 0 0 444.578 4.198 50 0 IIAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001260260 568775453 /nfs/dbraw/zinc/77/54/53/568775453.db2.gz XAWKSWXGTFLRTF-CJNGLKHVSA-N 0 0 444.578 4.198 50 0 IIAARN Fc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(Br)cc3)C4)n2)cc1 ZINC000263616141 568776841 /nfs/dbraw/zinc/77/68/41/568776841.db2.gz HIHQZBQLOKSOOF-MRXNPFEDSA-N 0 0 442.248 4.168 50 0 IIAARN CCn1c2ccc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2nc(C)c1=O ZINC000025732613 568778521 /nfs/dbraw/zinc/77/85/21/568778521.db2.gz NVKWHVJPXFHBDQ-UHFFFAOYSA-N 0 0 433.508 4.039 50 0 IIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CN1C(=O)CSc2ccccc21 ZINC000025737525 568779012 /nfs/dbraw/zinc/77/90/12/568779012.db2.gz MSTWIUSEUCGNEI-UHFFFAOYSA-N 0 0 428.517 4.387 50 0 IIAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000001300095 568779021 /nfs/dbraw/zinc/77/90/21/568779021.db2.gz QRZQLHZNEJZWBO-UHFFFAOYSA-N 0 0 435.480 4.264 50 0 IIAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccsc1 ZINC000004127326 568780876 /nfs/dbraw/zinc/78/08/76/568780876.db2.gz WRAGJBVLQHLACZ-UHFFFAOYSA-N 0 0 427.566 4.478 50 0 IIAARN O=C(c1sc2cc(F)ccc2c1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025815072 568782799 /nfs/dbraw/zinc/78/27/99/568782799.db2.gz IISDIHLOXYBOGR-GFCCVEGCSA-N 0 0 427.906 4.116 50 0 IIAARN O=C(Nc1cc2c(ccn(-c3ccc(F)cc3)c2=O)oc1=O)c1cccc(C(F)(F)F)c1 ZINC000001387738 568784730 /nfs/dbraw/zinc/78/47/30/568784730.db2.gz CWCBVAQUCSXDII-UHFFFAOYSA-N 0 0 444.340 4.354 50 0 IIAARN CC(C)[C@@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000060098980 568787818 /nfs/dbraw/zinc/78/78/18/568787818.db2.gz OXZNQUWSTOFVDH-GOSISDBHSA-N 0 0 430.302 4.391 50 0 IIAARN COc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2C1=O ZINC000001119925 568788081 /nfs/dbraw/zinc/78/80/81/568788081.db2.gz FVSLLRLIMYZUNF-UHFFFAOYSA-N 0 0 449.846 4.189 50 0 IIAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O)C(=O)c1ccccc1 ZINC000001159383 568788214 /nfs/dbraw/zinc/78/82/14/568788214.db2.gz GMWGTCVPNCPOFK-OAQYLSRUSA-N 0 0 443.455 4.314 50 0 IIAARN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000084064821 568790847 /nfs/dbraw/zinc/79/08/47/568790847.db2.gz HXQQBVGXFUXZNI-UHFFFAOYSA-N 0 0 429.477 4.486 50 0 IIAARN O=C(NCc1ncc(-c2ccccc2)o1)Nc1cc2c(cc1Br)OCCO2 ZINC000084563037 568798836 /nfs/dbraw/zinc/79/88/36/568798836.db2.gz KIJCYLKDHRASHI-UHFFFAOYSA-N 0 0 430.258 4.197 50 0 IIAARN O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000084579017 568799017 /nfs/dbraw/zinc/79/90/17/568799017.db2.gz IWZCZXATYXCLEW-DLBZAZTESA-N 0 0 431.355 4.155 50 0 IIAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000015670439 568801915 /nfs/dbraw/zinc/80/19/15/568801915.db2.gz OQJRAQKEOGUKOM-QGZVFWFLSA-N 0 0 434.862 4.299 50 0 IIAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1 ZINC000015670319 568802281 /nfs/dbraw/zinc/80/22/81/568802281.db2.gz LZKGRCSBOLSBGH-HXUWFJFHSA-N 0 0 440.507 4.296 50 0 IIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670594 568802545 /nfs/dbraw/zinc/80/25/45/568802545.db2.gz NMPVHELFFQIVDJ-IBGZPJMESA-N 0 0 444.470 4.045 50 0 IIAARN CCOC(=O)Cc1ccc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)cc1 ZINC000015671736 568802962 /nfs/dbraw/zinc/80/29/62/568802962.db2.gz IUQCIKLIIBYPDP-UHFFFAOYSA-N 0 0 433.578 4.406 50 0 IIAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C[C@@H]1CCCO1 ZINC000015677031 568804332 /nfs/dbraw/zinc/80/43/32/568804332.db2.gz KVDQWXLDAUPPFD-HFZDXXHNSA-N 0 0 437.584 4.264 50 0 IIAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000015680808 568806257 /nfs/dbraw/zinc/80/62/57/568806257.db2.gz JYRVMAXKTBDUTM-UHFFFAOYSA-N 0 0 434.517 4.263 50 0 IIAARN COc1ccccc1N1CCN(c2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)CC1 ZINC000015680938 568806331 /nfs/dbraw/zinc/80/63/31/568806331.db2.gz UTOVCLIAEAYTOR-UHFFFAOYSA-N 0 0 448.958 4.421 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2-n2cccc2)cc1 ZINC000015681373 568806708 /nfs/dbraw/zinc/80/67/08/568806708.db2.gz RIIRDXZHMPIZSF-UHFFFAOYSA-N 0 0 429.499 4.073 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015681660 568806768 /nfs/dbraw/zinc/80/67/68/568806768.db2.gz TUUIQKJNNJRCAO-UHFFFAOYSA-N 0 0 443.526 4.069 50 0 IIAARN COc1cc(C(=O)NCCc2ccc(Cl)cc2)c(Br)c(OC)c1OC ZINC000001441120 568807625 /nfs/dbraw/zinc/80/76/25/568807625.db2.gz ZXSIQXCZXQTBLQ-UHFFFAOYSA-N 0 0 428.710 4.101 50 0 IIAARN CC[C@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722733 568812325 /nfs/dbraw/zinc/81/23/25/568812325.db2.gz DMOSERTVSFKHTG-JOCHJYFZSA-N 0 0 439.581 4.083 50 0 IIAARN CCOc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)no2)cc1 ZINC000015729779 568813697 /nfs/dbraw/zinc/81/36/97/568813697.db2.gz ACEZUJGMNYEYNI-UHFFFAOYSA-N 0 0 437.887 4.213 50 0 IIAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCc3sccc3[C@@H]1c1ccccc1)OCO2 ZINC000012809438 568813857 /nfs/dbraw/zinc/81/38/57/568813857.db2.gz YDGGJNJXMCPJNC-DEOSSOPVSA-N 0 0 434.517 4.266 50 0 IIAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccc(F)cc4C)cc3c2=O)cc1 ZINC000015734370 568816336 /nfs/dbraw/zinc/81/63/36/568816336.db2.gz UNGWJKMCYPWFMV-UHFFFAOYSA-N 0 0 431.467 4.462 50 0 IIAARN CCn1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1ccccc1Cl ZINC000085410491 568817838 /nfs/dbraw/zinc/81/78/38/568817838.db2.gz BFKWUWBPKBIAIW-UHFFFAOYSA-N 0 0 442.972 4.383 50 0 IIAARN CC(=O)N1CCc2cc(NC(=O)CSc3ncnc4sc5c(c43)CCCC5)ccc21 ZINC000001465566 568820242 /nfs/dbraw/zinc/82/02/42/568820242.db2.gz FGIIZMXLPLHRMU-UHFFFAOYSA-N 0 0 438.578 4.210 50 0 IIAARN COc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001470237 568821649 /nfs/dbraw/zinc/82/16/49/568821649.db2.gz AJZNHQAOOWRMAM-UHFFFAOYSA-N 0 0 449.887 4.289 50 0 IIAARN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780895 568825167 /nfs/dbraw/zinc/82/51/67/568825167.db2.gz JLPNXEAZCASFRT-NRFANRHFSA-N 0 0 445.562 4.100 50 0 IIAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000015783632 568827257 /nfs/dbraw/zinc/82/72/57/568827257.db2.gz DJXNUXGMNYVXPC-SUNYJGFJSA-N 0 0 440.594 4.191 50 0 IIAARN COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085875407 568838152 /nfs/dbraw/zinc/83/81/52/568838152.db2.gz JQEUIBOVVXOKSZ-QGZVFWFLSA-N 0 0 440.473 4.061 50 0 biogenic IIAARN CCOc1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000015821862 568839830 /nfs/dbraw/zinc/83/98/30/568839830.db2.gz QIZCEXPSWHGXFN-UHFFFAOYSA-N 0 0 433.487 4.379 50 0 IIAARN COc1cnc(CSc2nccc(C)n2)cc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000015824401 568840378 /nfs/dbraw/zinc/84/03/78/568840378.db2.gz PUQBABNCQMIWFZ-UHFFFAOYSA-N 0 0 438.553 4.424 50 0 IIAARN CCc1ccc(NC(=O)COc2cc(CSc3nc(C)cc(C)n3)ncc2OC)cc1 ZINC000015824442 568840422 /nfs/dbraw/zinc/84/04/22/568840422.db2.gz GGKVECAZIQCCFQ-UHFFFAOYSA-N 0 0 438.553 4.369 50 0 IIAARN COc1cnc(CSc2ccc(F)cc2)cc1OCC(=O)NCc1ccc(F)cc1 ZINC000015824717 568840551 /nfs/dbraw/zinc/84/05/51/568840551.db2.gz CBBSMQOBLKIHNY-UHFFFAOYSA-N 0 0 430.476 4.356 50 0 IIAARN CCc1ccc(-c2nn3ccnc(N4CCN(c5ccccc5F)CC4)c3c2C=O)cc1 ZINC000015829460 568841244 /nfs/dbraw/zinc/84/12/44/568841244.db2.gz DUXGBOUUXHABBZ-UHFFFAOYSA-N 0 0 429.499 4.237 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CSc1ccc(S(=O)(=O)C2CCCCC2)nn1 ZINC000015829624 568841381 /nfs/dbraw/zinc/84/13/81/568841381.db2.gz AAVFMNQRMRHXLL-UHFFFAOYSA-N 0 0 439.990 4.276 50 0 IIAARN C[C@@H]1CCC=C2[C@H]3C=C[C@]21[C@@H](S(=O)(=O)c1ccccc1)[C@H]3S(=O)(=O)c1ccccc1 ZINC000071786194 568843354 /nfs/dbraw/zinc/84/33/54/568843354.db2.gz UQOAXBMZAMXLTI-NEMWVAFISA-N 0 0 440.586 4.214 50 0 IIAARN Cc1ccc(C(=O)[C@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000006144170 568846070 /nfs/dbraw/zinc/84/60/70/568846070.db2.gz PQLDIAQNANTQEF-HSZRJFAPSA-N 0 0 437.517 4.456 50 0 IIAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1 ZINC000015870319 568851545 /nfs/dbraw/zinc/85/15/45/568851545.db2.gz WNTJDHYLMXSNQY-UHFFFAOYSA-N 0 0 427.910 4.484 50 0 IIAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2nc(C)cs2)cc1=O ZINC000015883842 568858151 /nfs/dbraw/zinc/85/81/51/568858151.db2.gz BESWMEAPRWJOOA-UHFFFAOYSA-N 0 0 429.567 4.170 50 0 IIAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc2cc(OC)ccc2n1 ZINC000024883844 568858257 /nfs/dbraw/zinc/85/82/57/568858257.db2.gz QMVHOKXCFSWNRG-UHFFFAOYSA-N 0 0 436.899 4.186 50 0 IIAARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000015954929 568859609 /nfs/dbraw/zinc/85/96/09/568859609.db2.gz HIWDCYQWMCCQQA-CCLHPLFOSA-N 0 0 447.531 4.301 50 0 biogenic IIAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000025694692 568862058 /nfs/dbraw/zinc/86/20/58/568862058.db2.gz KMIIDMIQHYSXPV-UHFFFAOYSA-N 0 0 431.872 4.189 50 0 IIAARN COc1ccc([C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)N2CCOCC2)cc1 ZINC000015996548 568862065 /nfs/dbraw/zinc/86/20/65/568862065.db2.gz JAHLRENYQGDLMJ-HSZRJFAPSA-N 0 0 444.531 4.123 50 0 IIAARN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CCCCC1 ZINC000016025589 568864025 /nfs/dbraw/zinc/86/40/25/568864025.db2.gz ACKHQXGPXXRGPU-UHFFFAOYSA-N 0 0 432.973 4.496 50 0 IIAARN Cc1nc(CSc2ccc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2)cs1 ZINC000012935985 568865037 /nfs/dbraw/zinc/86/50/37/568865037.db2.gz JKMLROFQYNWMQA-UHFFFAOYSA-N 0 0 429.611 4.218 50 0 IIAARN COC(=O)c1cc(OC)c(OC)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000026161390 568866432 /nfs/dbraw/zinc/86/64/32/568866432.db2.gz KCJUUPBGYQPCPR-UHFFFAOYSA-N 0 0 437.374 4.171 50 0 IIAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000063827283 568869543 /nfs/dbraw/zinc/86/95/43/568869543.db2.gz AYNYENILPVEVGH-HNNXBMFYSA-N 0 0 441.329 4.305 50 0 IIAARN CCOc1ccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000012946359 568871358 /nfs/dbraw/zinc/87/13/58/568871358.db2.gz RSTSFSSMPOYYBB-UHFFFAOYSA-N 0 0 430.482 4.136 50 0 IIAARN CN(Cc1ccccc1)CN1c2ccccc2[C@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000016188617 568872469 /nfs/dbraw/zinc/87/24/69/568872469.db2.gz MRYFMPZFIAGLJL-VWLOTQADSA-N 0 0 429.545 4.056 50 0 IIAARN Cn1cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c2ccccc21 ZINC000026206701 568875824 /nfs/dbraw/zinc/87/58/24/568875824.db2.gz NATWFORBIOQHEB-LJQANCHMSA-N 0 0 433.489 4.368 50 0 IIAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000016312308 568876602 /nfs/dbraw/zinc/87/66/02/568876602.db2.gz ZTOVORCXICSIMZ-RUZDIDTESA-N 0 0 435.593 4.272 50 0 IIAARN CC(C)Cc1ccc([C@@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517393 568876659 /nfs/dbraw/zinc/87/66/59/568876659.db2.gz HNXNDNKUTMDFBQ-HSZRJFAPSA-N 0 0 434.565 4.434 50 0 IIAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000023386455 568877859 /nfs/dbraw/zinc/87/78/59/568877859.db2.gz QEJGOFWLBMYHOQ-WWGRRREGSA-N 0 0 436.927 4.429 50 0 IIAARN Cc1cc2c(cc1NC(=O)C1c3ccccc3Oc3ccccc31)N(C)S(=O)(=O)N2C ZINC000575612299 568879413 /nfs/dbraw/zinc/87/94/13/568879413.db2.gz LGVOGIKBPWNFMT-UHFFFAOYSA-N 0 0 435.505 4.002 50 0 IIAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccsc2)n1 ZINC000575614534 568879888 /nfs/dbraw/zinc/87/98/88/568879888.db2.gz VXDJAUWOPFTMHZ-KRWDZBQOSA-N 0 0 429.489 4.148 50 0 IIAARN CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)no1 ZINC000063958207 568880909 /nfs/dbraw/zinc/88/09/09/568880909.db2.gz XICBGXJSGNTNSJ-AWEZNQCLSA-N 0 0 425.316 4.218 50 0 IIAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000090560568 568887794 /nfs/dbraw/zinc/88/77/94/568887794.db2.gz NQNANNGJGCRTHB-UHFFFAOYSA-N 0 0 433.936 4.444 50 0 IIAARN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cccc(-c2nc(-c3cnccn3)no2)c1=O ZINC000090592160 568888749 /nfs/dbraw/zinc/88/87/49/568888749.db2.gz SMWNVXHGWFGIJI-FQEVSTJZSA-N 0 0 444.495 4.069 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1F ZINC000090593337 568888872 /nfs/dbraw/zinc/88/88/72/568888872.db2.gz JCKTVMYUKJGQER-UHFFFAOYSA-N 0 0 426.922 4.398 50 0 IIAARN O=C(c1cc2ccccc2oc1=O)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594098 568889066 /nfs/dbraw/zinc/88/90/66/568889066.db2.gz KDOPYTZIXBXDQP-UHFFFAOYSA-N 0 0 446.406 4.325 50 0 IIAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607532 568889856 /nfs/dbraw/zinc/88/98/56/568889856.db2.gz YMBAQVPRUCKGGH-UHFFFAOYSA-N 0 0 430.430 4.185 50 0 IIAARN COc1ccc(SCC2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000090608288 568891022 /nfs/dbraw/zinc/89/10/22/568891022.db2.gz RUGZVVLIFLBHKQ-UHFFFAOYSA-N 0 0 430.570 4.426 50 0 IIAARN CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1=O ZINC000012978411 568891773 /nfs/dbraw/zinc/89/17/73/568891773.db2.gz KEROGBPBBGNAHV-UUOWRZLLSA-N 0 0 444.959 4.369 50 0 IIAARN COc1ccccc1CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O ZINC000090610266 568892288 /nfs/dbraw/zinc/89/22/88/568892288.db2.gz GKPBVCTUWOVVLC-UHFFFAOYSA-N 0 0 430.888 4.445 50 0 IIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000006346726 568893239 /nfs/dbraw/zinc/89/32/39/568893239.db2.gz WQBLMKDFZSJZMN-UHFFFAOYSA-N 0 0 442.566 4.022 50 0 IIAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)c2ccccc12 ZINC000012980787 568893566 /nfs/dbraw/zinc/89/35/66/568893566.db2.gz HBQXALOSNSFWCZ-UHFFFAOYSA-N 0 0 445.519 4.298 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc2N1S(C)(=O)=O ZINC000012986334 568895056 /nfs/dbraw/zinc/89/50/56/568895056.db2.gz JEVAHNIWIVYNJM-LLVKDONJSA-N 0 0 449.504 4.051 50 0 IIAARN CN(C)C(=O)[C@@H]1CCCN1c1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000012986141 568895692 /nfs/dbraw/zinc/89/56/92/568895692.db2.gz IIPCXOZZCGIMAW-HNNXBMFYSA-N 0 0 431.359 4.178 50 0 IIAARN O=C(CSc1nnnn1-c1ccccc1)N(CCc1ccccc1)Cc1cccs1 ZINC000013000054 568898120 /nfs/dbraw/zinc/89/81/20/568898120.db2.gz OEFBJJMGTXPEOU-UHFFFAOYSA-N 0 0 435.578 4.087 50 0 IIAARN c1coc(Cn2c(SCc3noc(-c4ccsc4)n3)nnc2N2CCCCC2)c1 ZINC000013001853 568898317 /nfs/dbraw/zinc/89/83/17/568898317.db2.gz MSYHFSWWGZRBDS-UHFFFAOYSA-N 0 0 428.543 4.314 50 0 IIAARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc2c(c1)OCC(=O)N2 ZINC000013002627 568898592 /nfs/dbraw/zinc/89/85/92/568898592.db2.gz TUGXOIFTGXXXEY-UHFFFAOYSA-N 0 0 444.310 4.080 50 0 IIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000013009159 568899726 /nfs/dbraw/zinc/89/97/26/568899726.db2.gz FQSLUFDQPPSWDU-CZUORRHYSA-N 0 0 429.369 4.012 50 0 IIAARN c1ccc(Cn2c(CN3CCCCC3)nnc2SC[C@H]2CN=C(c3ccccc3)O2)cc1 ZINC000013022278 568902283 /nfs/dbraw/zinc/90/22/83/568902283.db2.gz UMADZWOUSLEIKY-JOCHJYFZSA-N 0 0 447.608 4.250 50 0 IIAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000013020722 568902357 /nfs/dbraw/zinc/90/23/57/568902357.db2.gz NXQUNYLAIXTAOD-LJQANCHMSA-N 0 0 431.517 4.477 50 0 IIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1Cl ZINC000013023081 568902502 /nfs/dbraw/zinc/90/25/02/568902502.db2.gz KGIWMQUFOQJJHX-CYBMUJFWSA-N 0 0 449.736 4.282 50 0 IIAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C(C)C)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524729340 568903898 /nfs/dbraw/zinc/90/38/98/568903898.db2.gz PDIQKGGOWASBPQ-QFIPXVFZSA-N 0 0 431.540 4.275 50 0 biogenic IIAARN O=C(CCNC(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750167 568904611 /nfs/dbraw/zinc/90/46/11/568904611.db2.gz AYJCZQJBSXMMHR-UHFFFAOYSA-N 0 0 441.867 4.157 50 0 IIAARN CSCC[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000240423847 568911933 /nfs/dbraw/zinc/91/19/33/568911933.db2.gz FRKMTUOLJFYDDU-JFIYKMOQSA-N 0 0 443.594 4.046 50 0 IIAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2C[C@H]1C ZINC000241316767 568912164 /nfs/dbraw/zinc/91/21/64/568912164.db2.gz LUSZGLKZRUGRMM-VLIAUNLRSA-N 0 0 441.578 4.120 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@@H](C(F)(F)F)C3)[C@H](c3ccco3)C2)cc1 ZINC000248184109 568919067 /nfs/dbraw/zinc/91/90/67/568919067.db2.gz GKMAPZZLSYXNRP-APWZRJJASA-N 0 0 435.446 4.240 50 0 IIAARN CCCOC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cccc(Cl)c3)C2=O)cc1 ZINC000001907209 568919520 /nfs/dbraw/zinc/91/95/20/568919520.db2.gz IAQMSHFEXPBJLK-UHFFFAOYSA-N 0 0 433.291 4.338 50 0 IIAARN Cc1cccc(NC(=O)c2c(C(=O)Nc3cccc(C)c3C)sc3nc(C)cc(=O)n32)c1 ZINC000001907020 568919521 /nfs/dbraw/zinc/91/95/21/568919521.db2.gz DZTDCROTMGTQCI-UHFFFAOYSA-N 0 0 446.532 4.494 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C[C@H]([C@@]1(O)c3ccccc3NC1=O)C2=O ZINC000253508262 568920166 /nfs/dbraw/zinc/92/01/66/568920166.db2.gz ANRFRODGBYZULY-PLXWELMSSA-N 0 0 437.580 4.025 50 0 IIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C[C@@H]([C@]1(O)c3ccccc3NC1=O)C2=O ZINC000253508259 568920177 /nfs/dbraw/zinc/92/01/77/568920177.db2.gz ANRFRODGBYZULY-NFCNSUSZSA-N 0 0 437.580 4.025 50 0 IIAARN CC(C)C(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016497823 568920424 /nfs/dbraw/zinc/92/04/24/568920424.db2.gz XMRKYCQZZGLGOO-UHFFFAOYSA-N 0 0 431.485 4.371 50 0 IIAARN COc1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1Cl ZINC000001961442 568924068 /nfs/dbraw/zinc/92/40/68/568924068.db2.gz XDVQBABOGRXZKP-UHFFFAOYSA-N 0 0 425.897 4.426 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)C=Cc2ccccc2)c1 ZINC000016609379 568925739 /nfs/dbraw/zinc/92/57/39/568925739.db2.gz KEFYLLMDRJMPKC-DGXIYAMASA-N 0 0 435.549 4.037 50 0 IIAARN COc1ccc(OC)c(CNc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)c1 ZINC000064449921 568928419 /nfs/dbraw/zinc/92/84/19/568928419.db2.gz HLJRAFAEQHHFRZ-UHFFFAOYSA-N 0 0 449.942 4.487 50 0 IIAARN CC(C)C(=O)N1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450837 568928861 /nfs/dbraw/zinc/92/88/61/568928861.db2.gz PDBAFYQRNHWWHU-UHFFFAOYSA-N 0 0 444.580 4.112 50 0 IIAARN CCC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450800 568928922 /nfs/dbraw/zinc/92/89/22/568928922.db2.gz OJAWFMFCSZJWJO-UHFFFAOYSA-N 0 0 442.564 4.010 50 0 IIAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(c3ccccc3O)CC1)oc1ccccc12 ZINC000089518887 568928938 /nfs/dbraw/zinc/92/89/38/568928938.db2.gz SFHFJAQQFABYTB-QGZVFWFLSA-N 0 0 445.519 4.449 50 0 IIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12 ZINC000000885752 568930652 /nfs/dbraw/zinc/93/06/52/568930652.db2.gz WIEJADKUYLLKPX-UHFFFAOYSA-N 0 0 443.532 4.446 50 0 IIAARN CCCN1c2ccc(Br)cc2[C@]2(NCCc3c4cc(OC)ccc4[nH]c32)C1=O ZINC000020064241 568930746 /nfs/dbraw/zinc/93/07/46/568930746.db2.gz ZYWWGESKJBBAGN-JOCHJYFZSA-N 0 0 440.341 4.085 50 0 biogenic IIAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccc6)CC5)n3n2)CCCC4)cc1 ZINC000064592851 568935571 /nfs/dbraw/zinc/93/55/71/568935571.db2.gz ZPSZXIUPGPVWRN-UHFFFAOYSA-N 0 0 438.579 4.229 50 0 IIAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12)C(=O)Nc1ccccc1C ZINC000064593611 568936050 /nfs/dbraw/zinc/93/60/50/568936050.db2.gz DCTRKDOVNXMFIE-FQEVSTJZSA-N 0 0 447.564 4.315 50 0 IIAARN Cc1ccc(Cl)cc1-n1ccn2c(SCC(=O)c3ccccc3Cl)nnc2c1=O ZINC000064593782 568936157 /nfs/dbraw/zinc/93/61/57/568936157.db2.gz MBIMHLUDABVDHS-UHFFFAOYSA-N 0 0 445.331 4.470 50 0 IIAARN Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccncc1 ZINC000089545059 568936910 /nfs/dbraw/zinc/93/69/10/568936910.db2.gz SOUIAWMAEYWTQQ-GXTWGEPZSA-N 0 0 447.322 4.305 50 0 IIAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000016690067 568938537 /nfs/dbraw/zinc/93/85/37/568938537.db2.gz UKTKRCWHPLYNAO-PBHICJAKSA-N 0 0 448.976 4.077 50 0 IIAARN COC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2cccc(Cl)c2)=N1 ZINC000002050491 568940807 /nfs/dbraw/zinc/94/08/07/568940807.db2.gz JCJCTWAKUSIFFV-OAHLLOKOSA-N 0 0 448.626 4.038 50 0 IIAARN CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1F ZINC000064658946 568942313 /nfs/dbraw/zinc/94/23/13/568942313.db2.gz YQDZGQJCAOGNME-UHFFFAOYSA-N 0 0 425.279 4.420 50 0 IIAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 ZINC000064656905 568942345 /nfs/dbraw/zinc/94/23/45/568942345.db2.gz UXEQKUFEFXMDOB-HNNXBMFYSA-N 0 0 435.473 4.342 50 0 IIAARN Cn1cc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccc(F)cc2)n1 ZINC000064659769 568942522 /nfs/dbraw/zinc/94/25/22/568942522.db2.gz XZYMRBBNKNHXSA-UHFFFAOYSA-N 0 0 426.923 4.161 50 0 IIAARN Cc1cccc(-c2nc3sc(N(C)CC(=O)N4CCCC4)nn3c2NC(C)(C)C)c1 ZINC000064703645 568944467 /nfs/dbraw/zinc/94/44/67/568944467.db2.gz OAGOMGKXIDDPPN-UHFFFAOYSA-N 0 0 426.590 4.035 50 0 IIAARN CC(C)CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704225 568944601 /nfs/dbraw/zinc/94/46/01/568944601.db2.gz CZMOJKAULPIXIT-UHFFFAOYSA-N 0 0 446.596 4.406 50 0 IIAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036083495 568947239 /nfs/dbraw/zinc/94/72/39/568947239.db2.gz OMYFOOXZPLZCNV-HSZRJFAPSA-N 0 0 438.524 4.213 50 0 IIAARN CCN(CC)c1ccc(-c2nc3sc(N4CCN(C)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064748086 568950643 /nfs/dbraw/zinc/95/06/43/568950643.db2.gz NDBSJYRVVBOPLD-UHFFFAOYSA-N 0 0 441.649 4.266 50 0 IIAARN CCN1c2ccc(CNC(=O)c3cccnc3SC)cc2Sc2ncccc2C1=O ZINC000064759564 568952022 /nfs/dbraw/zinc/95/20/22/568952022.db2.gz REFNFWMVHNJXDB-UHFFFAOYSA-N 0 0 436.562 4.260 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(Cl)c4)sc3C2)cc1 ZINC000064769001 568953117 /nfs/dbraw/zinc/95/31/17/568953117.db2.gz BFHJONBBXUVEAT-UHFFFAOYSA-N 0 0 447.969 4.104 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC(C)C ZINC000036117557 568955931 /nfs/dbraw/zinc/95/59/31/568955931.db2.gz YHBTVCAPIGTJSY-IBGZPJMESA-N 0 0 444.597 4.156 50 0 IIAARN CCc1ccc([C@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064787575 568956271 /nfs/dbraw/zinc/95/62/71/568956271.db2.gz FYLSXDABBDYKJN-HSZRJFAPSA-N 0 0 449.938 4.041 50 0 IIAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000036119652 568956800 /nfs/dbraw/zinc/95/68/00/568956800.db2.gz HNINFBXKLYQSMK-OAQYLSRUSA-N 0 0 426.582 4.148 50 0 IIAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(C)c2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788284 568956824 /nfs/dbraw/zinc/95/68/24/568956824.db2.gz FCUMNULUUNELQH-DEOSSOPVSA-N 0 0 443.547 4.177 50 0 IIAARN COc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c(OC)c1 ZINC000064788006 568956941 /nfs/dbraw/zinc/95/69/41/568956941.db2.gz HHXWNMFBWYXPEY-UHFFFAOYSA-N 0 0 441.896 4.346 50 0 IIAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036120017 568956972 /nfs/dbraw/zinc/95/69/72/568956972.db2.gz NPGOIYWXOIGZJK-NRFANRHFSA-N 0 0 428.598 4.456 50 0 IIAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)N[C@@H](C)c4ccc(Cl)cc4)n3)cc2c1 ZINC000064789987 568957134 /nfs/dbraw/zinc/95/71/34/568957134.db2.gz IXHFDLUHIIDRMT-AWEZNQCLSA-N 0 0 436.899 4.350 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)CC(C)C ZINC000036120917 568957640 /nfs/dbraw/zinc/95/76/40/568957640.db2.gz DJRJNOZZJPGDPX-FQEVSTJZSA-N 0 0 432.561 4.287 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)[C@@H](C)CC ZINC000036122657 568958152 /nfs/dbraw/zinc/95/81/52/568958152.db2.gz CWXKIXIYJNWZAP-PXNSSMCTSA-N 0 0 429.586 4.083 50 0 IIAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)CC1CC1 ZINC000036122108 568958158 /nfs/dbraw/zinc/95/81/58/568958158.db2.gz VMYQOJNSMPVDTG-FQEVSTJZSA-N 0 0 426.582 4.210 50 0 IIAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)[C@@H](C)CC ZINC000036123554 568958735 /nfs/dbraw/zinc/95/87/35/568958735.db2.gz XFVOOINTWKACSU-JXFKEZNVSA-N 0 0 447.576 4.222 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1OC ZINC000064799356 568960717 /nfs/dbraw/zinc/96/07/17/568960717.db2.gz LPZOSALHUZUPKI-MRXNPFEDSA-N 0 0 443.546 4.381 50 0 IIAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064801356 568961046 /nfs/dbraw/zinc/96/10/46/568961046.db2.gz GDVAVNINHXDINP-UHFFFAOYSA-N 0 0 448.527 4.326 50 0 IIAARN Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(N2CCOCC2)n1 ZINC000064801611 568961525 /nfs/dbraw/zinc/96/15/25/568961525.db2.gz JVZDUFWNCQHFCP-UHFFFAOYSA-N 0 0 440.454 4.287 50 0 IIAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006722959 568963106 /nfs/dbraw/zinc/96/31/06/568963106.db2.gz ZJQSVDRXXGQKGE-UHFFFAOYSA-N 0 0 429.536 4.052 50 0 IIAARN C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 ZINC000064815722 568963569 /nfs/dbraw/zinc/96/35/69/568963569.db2.gz BFMPGZKPBHGBQX-HSZRJFAPSA-N 0 0 438.528 4.229 50 0 IIAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000064816720 568964421 /nfs/dbraw/zinc/96/44/21/568964421.db2.gz PXVOFFCQOCTBLW-UHFFFAOYSA-N 0 0 432.568 4.156 50 0 IIAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccc4c(c3)OCO4)c(=O)c21 ZINC000064817354 568964474 /nfs/dbraw/zinc/96/44/74/568964474.db2.gz JRCAIUAJJTXMBN-UHFFFAOYSA-N 0 0 448.548 4.299 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1ccccc1 ZINC000036155448 568964767 /nfs/dbraw/zinc/96/47/67/568964767.db2.gz DEEQBTHQBVSWJL-RUZDIDTESA-N 0 0 448.519 4.423 50 0 IIAARN Cc1cc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c(C(F)(F)F)nc2cc1C ZINC000064819134 568966035 /nfs/dbraw/zinc/96/60/35/568966035.db2.gz ATFYMAHKCCBTMT-UHFFFAOYSA-N 0 0 432.421 4.367 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1OC ZINC000064818274 568966335 /nfs/dbraw/zinc/96/63/35/568966335.db2.gz YZZKYIBNEJYFKR-ONNFQVAWSA-N 0 0 437.471 4.312 50 0 IIAARN Cc1cc(NC(=O)N(C)CCc2noc(COc3ccccc3)n2)ccc1Br ZINC000064840064 568969817 /nfs/dbraw/zinc/96/98/17/568969817.db2.gz OQGJTPINRNJGSG-UHFFFAOYSA-N 0 0 445.317 4.426 50 0 IIAARN CC[C@@H](C(=O)N(CC)c1ccccc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842673 568970950 /nfs/dbraw/zinc/97/09/50/568970950.db2.gz ZTELNFFCZBEPRU-FQEVSTJZSA-N 0 0 446.507 4.373 50 0 IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cccc(F)c3)CC1)N2 ZINC000064848188 568971566 /nfs/dbraw/zinc/97/15/66/568971566.db2.gz SGHIFSFSVIONMR-UHFFFAOYSA-N 0 0 425.529 4.339 50 0 biogenic IIAARN CCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OCC ZINC000036202233 568972451 /nfs/dbraw/zinc/97/24/51/568972451.db2.gz VYNIHYGBOPSCAM-OAHLLOKOSA-N 0 0 429.469 4.177 50 0 IIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)c2)on1 ZINC000064865996 568974278 /nfs/dbraw/zinc/97/42/78/568974278.db2.gz AZTHQNGPWDHBDS-UHFFFAOYSA-N 0 0 432.929 4.092 50 0 IIAARN CCOc1ccc(N(C)C(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 ZINC000064866376 568974431 /nfs/dbraw/zinc/97/44/31/568974431.db2.gz LTNUZMTZHJAZHN-UHFFFAOYSA-N 0 0 442.537 4.184 50 0 IIAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000064866782 568974802 /nfs/dbraw/zinc/97/48/02/568974802.db2.gz YSHBHLGAEIEXJR-UHFFFAOYSA-N 0 0 442.537 4.332 50 0 IIAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867275 568975137 /nfs/dbraw/zinc/97/51/37/568975137.db2.gz BDWXYKMFWVUALC-UHFFFAOYSA-N 0 0 442.537 4.468 50 0 IIAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccccc2OC)=Nc2ccccc2N1 ZINC000064869691 568976363 /nfs/dbraw/zinc/97/63/63/568976363.db2.gz PIFIKGJLEJZGCO-UHFFFAOYSA-N 0 0 425.510 4.360 50 0 IIAARN Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)C(C)C)c3)[C@@H]2C(=O)NC(C)C)cc1 ZINC000036218805 568977574 /nfs/dbraw/zinc/97/75/74/568977574.db2.gz WNSMYITZXOFQSM-FGZHOGPDSA-N 0 0 437.540 4.176 50 0 IIAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064872123 568977782 /nfs/dbraw/zinc/97/77/82/568977782.db2.gz VOYOJAVKUAXRIO-UHFFFAOYSA-N 0 0 430.551 4.451 50 0 IIAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000064872166 568977908 /nfs/dbraw/zinc/97/79/08/568977908.db2.gz PPGPLQDWDWHHGI-UHFFFAOYSA-N 0 0 446.550 4.233 50 0 IIAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000064871997 568977920 /nfs/dbraw/zinc/97/79/20/568977920.db2.gz HDWKBOUDUFFRQC-UHFFFAOYSA-N 0 0 430.551 4.397 50 0 IIAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c1 ZINC000064873083 568978295 /nfs/dbraw/zinc/97/82/95/568978295.db2.gz UDNVXGNUZBEDGM-QGZVFWFLSA-N 0 0 434.515 4.385 50 0 IIAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000064888043 568979370 /nfs/dbraw/zinc/97/93/70/568979370.db2.gz CDQFIWMIMBZCDW-UHFFFAOYSA-N 0 0 427.476 4.268 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064889066 568980079 /nfs/dbraw/zinc/98/00/79/568980079.db2.gz ZKNMLFHWMRAHCG-UHFFFAOYSA-N 0 0 442.585 4.219 50 0 IIAARN CC(C)Cn1c2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890975 568980926 /nfs/dbraw/zinc/98/09/26/568980926.db2.gz YKGPCHBNLSHUOC-UHFFFAOYSA-N 0 0 430.386 4.082 50 0 IIAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccc(OC)c(OC)c2)cc1 ZINC000036247945 568982593 /nfs/dbraw/zinc/98/25/93/568982593.db2.gz MADWYURNSXKHJK-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN O=C(c1cccc(F)c1)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C1CC1 ZINC000036249233 568983211 /nfs/dbraw/zinc/98/32/11/568983211.db2.gz BJVDGQGVOLYUFS-UHFFFAOYSA-N 0 0 439.462 4.261 50 0 IIAARN CC(C)(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000006775818 568983626 /nfs/dbraw/zinc/98/36/26/568983626.db2.gz SWBPMWZKBXBWST-OAQYLSRUSA-N 0 0 428.964 4.046 50 0 IIAARN CC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036254181 568984711 /nfs/dbraw/zinc/98/47/11/568984711.db2.gz PLUFDMNIROIYNU-RDPSFJRHSA-N 0 0 441.660 4.463 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1F ZINC000064924696 568986182 /nfs/dbraw/zinc/98/61/82/568986182.db2.gz VFYPLQUKKCQCNO-UHFFFAOYSA-N 0 0 440.498 4.119 50 0 IIAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000064924673 568986303 /nfs/dbraw/zinc/98/63/03/568986303.db2.gz WVOJNFAQRCXUMF-UHFFFAOYSA-N 0 0 438.963 4.494 50 0 IIAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)ccc2=O)cc1 ZINC000064927268 568987069 /nfs/dbraw/zinc/98/70/69/568987069.db2.gz HCOMDRWRXFALOG-UHFFFAOYSA-N 0 0 430.552 4.267 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)c(OC)c1 ZINC000064928997 568987308 /nfs/dbraw/zinc/98/73/08/568987308.db2.gz YUZVSAVUNYNQLT-IBGZPJMESA-N 0 0 432.524 4.324 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N2CCCCCC2)cc1 ZINC000064928164 568987416 /nfs/dbraw/zinc/98/74/16/568987416.db2.gz GRQYNXLAMVCCOH-HSZRJFAPSA-N 0 0 426.582 4.076 50 0 IIAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928595 568987864 /nfs/dbraw/zinc/98/78/64/568987864.db2.gz ZWXTZPMNCIBDCD-AWEZNQCLSA-N 0 0 444.869 4.019 50 0 IIAARN O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064930323 568988687 /nfs/dbraw/zinc/98/86/87/568988687.db2.gz HMBPEBZZPBFWJU-KRWDZBQOSA-N 0 0 446.454 4.114 50 0 IIAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930408 568988937 /nfs/dbraw/zinc/98/89/37/568988937.db2.gz DQRLPBCHFISUKO-MRXNPFEDSA-N 0 0 429.452 4.438 50 0 IIAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000064930837 568989201 /nfs/dbraw/zinc/98/92/01/568989201.db2.gz PRNDFHGGIAWHFO-MRXNPFEDSA-N 0 0 435.500 4.248 50 0 IIAARN O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000064942701 568992205 /nfs/dbraw/zinc/99/22/05/568992205.db2.gz QIFARCNXGVZOGM-UHFFFAOYSA-N 0 0 435.274 4.068 50 0 IIAARN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169681775 568992539 /nfs/dbraw/zinc/99/25/39/568992539.db2.gz HMQRDMIKNIRUIM-UTKZUKDTSA-N 0 0 435.465 4.237 50 0 IIAARN O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681210 568992809 /nfs/dbraw/zinc/99/28/09/568992809.db2.gz AARBZVBRSLHLCA-UHFFFAOYSA-N 0 0 430.414 4.228 50 0 IIAARN COc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)c(OC)c1 ZINC000064949989 568995436 /nfs/dbraw/zinc/99/54/36/568995436.db2.gz TWSIOAWGINFIAF-UHFFFAOYSA-N 0 0 444.422 4.259 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036311159 568996931 /nfs/dbraw/zinc/99/69/31/568996931.db2.gz DHGUPIUUEVYGRF-JOCHJYFZSA-N 0 0 443.950 4.434 50 0 IIAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c2cc(C)ccc2O1 ZINC000064952293 568998367 /nfs/dbraw/zinc/99/83/67/568998367.db2.gz NNNFXEXSBBKKNF-QGZVFWFLSA-N 0 0 446.594 4.210 50 0 IIAARN CCc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000064971136 569076495 /nfs/dbraw/zinc/07/64/95/569076495.db2.gz SQHQFZHKIDNUGC-QFIPXVFZSA-N 0 0 443.551 4.029 50 0 IIAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Br)c(Br)s1 ZINC000036339014 569076762 /nfs/dbraw/zinc/07/67/62/569076762.db2.gz 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CCCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985620 569082022 /nfs/dbraw/zinc/08/20/22/569082022.db2.gz QJJXNGDJWBWPSU-JOCHJYFZSA-N 0 0 444.597 4.247 50 0 IIAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(NC3CCCCC3)cc1O2 ZINC000064986679 569082173 /nfs/dbraw/zinc/08/21/73/569082173.db2.gz XQXAYAQDUVUARR-UHFFFAOYSA-N 0 0 429.542 4.348 50 0 IIAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(N3CCCCC3)cc1O2 ZINC000064986735 569082349 /nfs/dbraw/zinc/08/23/49/569082349.db2.gz TUMYJZLATOQGCB-UHFFFAOYSA-N 0 0 441.553 4.128 50 0 IIAARN COc1ccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)o2)cc1 ZINC000064987803 569082802 /nfs/dbraw/zinc/08/28/02/569082802.db2.gz KIXOZLKEFFSEGM-UHFFFAOYSA-N 0 0 433.917 4.240 50 0 IIAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccc(C)cc4)ccc3C[C@@H]2C)cc1 ZINC000064990187 569083218 /nfs/dbraw/zinc/08/32/18/569083218.db2.gz IONWQAHYIFFWGC-IBGZPJMESA-N 0 0 428.532 4.454 50 0 IIAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000064991333 569083568 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IIAARN O=C(NCc1ccc(F)cc1F)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201559 569116155 /nfs/dbraw/zinc/11/61/55/569116155.db2.gz IZCUCPTXDGKSOO-UHFFFAOYSA-N 0 0 430.451 4.294 50 0 IIAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000006987541 569116215 /nfs/dbraw/zinc/11/62/15/569116215.db2.gz SFIKIXHDFHWHBU-UHFFFAOYSA-N 0 0 429.561 4.288 50 0 IIAARN Cc1ccc(C)c(N2CCN(Cc3nc(-c4ccc(N5CCCCCC5)nc4)no3)CC2)c1 ZINC000065216254 569117072 /nfs/dbraw/zinc/11/70/72/569117072.db2.gz SSHHXYKDMTTZGS-UHFFFAOYSA-N 0 0 446.599 4.451 50 0 IIAARN CCc1nn2c(CNS(=O)(=O)c3cc(C)cc(C)c3)c(-c3ccccc3)nc2s1 ZINC000065217412 569117185 /nfs/dbraw/zinc/11/71/85/569117185.db2.gz HVPLAGCGGYCSHR-UHFFFAOYSA-N 0 0 426.567 4.116 50 0 IIAARN C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccc1 ZINC000065227886 569117515 /nfs/dbraw/zinc/11/75/15/569117515.db2.gz UOBICRSLPVMDNP-FXAWDEMLSA-N 0 0 431.540 4.493 50 0 IIAARN CC[C@H](NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1)c1cccs1 ZINC000065229789 569118265 /nfs/dbraw/zinc/11/82/65/569118265.db2.gz JRAYSWMJLHMWTJ-SFHVURJKSA-N 0 0 426.542 4.291 50 0 IIAARN COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000036569519 569118797 /nfs/dbraw/zinc/11/87/97/569118797.db2.gz MSWLGUXZVOHXJJ-UGKGYDQZSA-N 0 0 437.521 4.172 50 0 IIAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cc(F)ccc3C)cc2C1=O ZINC000065241621 569118816 /nfs/dbraw/zinc/11/88/16/569118816.db2.gz NAOYUBGIZTYVNH-UHFFFAOYSA-N 0 0 441.484 4.492 50 0 IIAARN CCc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2CC ZINC000065235510 569119272 /nfs/dbraw/zinc/11/92/72/569119272.db2.gz TXTQKENFMPESGG-UHFFFAOYSA-N 0 0 426.948 4.496 50 0 biogenic IIAARN COc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC ZINC000065235741 569119277 /nfs/dbraw/zinc/11/92/77/569119277.db2.gz MIVRFQLKASPPSK-HNNXBMFYSA-N 0 0 447.466 4.033 50 0 IIAARN C=C1C(N2CCCN(C(=O)C(CCC)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239453 569120536 /nfs/dbraw/zinc/12/05/36/569120536.db2.gz RVSFKCKGZMTIGE-UHFFFAOYSA-N 0 0 445.629 4.219 50 0 IIAARN COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(-c3nc(C)c(C)s3)cn2)CC1 ZINC000065240805 569120809 /nfs/dbraw/zinc/12/08/09/569120809.db2.gz UOGKKKXXOZGZFU-UHFFFAOYSA-N 0 0 442.972 4.446 50 0 IIAARN CCn1cc(-c2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)c2cccnc21 ZINC000065241080 569120886 /nfs/dbraw/zinc/12/08/86/569120886.db2.gz YNZGQBBQDBNRGO-UHFFFAOYSA-N 0 0 435.528 4.281 50 0 IIAARN CCCN1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2Sc2ncccc2C1=O ZINC000065241396 569120936 /nfs/dbraw/zinc/12/09/36/569120936.db2.gz MJVNTQRMIHDEEI-UHFFFAOYSA-N 0 0 447.516 4.262 50 0 IIAARN CCN1c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2Sc2ncccc2C1=O ZINC000065241345 569120940 /nfs/dbraw/zinc/12/09/40/569120940.db2.gz OQOQNOAITNWGOK-UHFFFAOYSA-N 0 0 435.505 4.482 50 0 IIAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000036596404 569121378 /nfs/dbraw/zinc/12/13/78/569121378.db2.gz VYYCQPVBLQSFPT-JOCHJYFZSA-N 0 0 429.476 4.385 50 0 IIAARN CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(Cl)cc3)c2)n1 ZINC000065250824 569122172 /nfs/dbraw/zinc/12/21/72/569122172.db2.gz LINSFFAWINOITE-UHFFFAOYSA-N 0 0 436.903 4.198 50 0 IIAARN Cc1ccn(C[C@@H](C)CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n1 ZINC000036616970 569122951 /nfs/dbraw/zinc/12/29/51/569122951.db2.gz KKLGKJJPBXBLPW-INIZCTEOSA-N 0 0 428.540 4.177 50 0 IIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c3cnn(C)c3n2)cc1 ZINC000036613290 569123770 /nfs/dbraw/zinc/12/37/70/569123770.db2.gz TXWFTCRIQOKTIO-UHFFFAOYSA-N 0 0 438.491 4.390 50 0 IIAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NC[C@@H](C)Cn1ccc(C)n1 ZINC000036613569 569123944 /nfs/dbraw/zinc/12/39/44/569123944.db2.gz FCNKOBBOBBZWRY-QGZVFWFLSA-N 0 0 430.556 4.306 50 0 IIAARN CCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1C ZINC000036614453 569124100 /nfs/dbraw/zinc/12/41/00/569124100.db2.gz MNENDBULZYJLDY-UHFFFAOYSA-N 0 0 439.488 4.018 50 0 IIAARN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)COc1ccc(F)c(F)c1)C2 ZINC000065260135 569124923 /nfs/dbraw/zinc/12/49/23/569124923.db2.gz UKHPKJPXRWMMEM-DEOSSOPVSA-N 0 0 442.510 4.249 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C ZINC000007063837 569130366 /nfs/dbraw/zinc/13/03/66/569130366.db2.gz WJSQNLNGUJGUII-UHFFFAOYSA-N 0 0 427.574 4.340 50 0 IIAARN COc1ccc(OC)c(CNC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)c1 ZINC000065297795 569131868 /nfs/dbraw/zinc/13/18/68/569131868.db2.gz XCBVUJCURCJOFQ-UHFFFAOYSA-N 0 0 441.553 4.219 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccccc4)CC3)sc12 ZINC000065299705 569132158 /nfs/dbraw/zinc/13/21/58/569132158.db2.gz YBCOJPYFUKQCNE-UHFFFAOYSA-N 0 0 435.528 4.328 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NCc4ccccn4)C3)sc12 ZINC000065305662 569133261 /nfs/dbraw/zinc/13/32/61/569133261.db2.gz MPXGPVLXEIDJKW-SFHVURJKSA-N 0 0 446.580 4.027 50 0 IIAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000065306173 569133278 /nfs/dbraw/zinc/13/32/78/569133278.db2.gz AKMPSPWFWMFETO-UHFFFAOYSA-N 0 0 425.533 4.308 50 0 IIAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000065315470 569134030 /nfs/dbraw/zinc/13/40/30/569134030.db2.gz BVVHZYDSJZUYFO-MRXNPFEDSA-N 0 0 441.507 4.238 50 0 IIAARN Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)cc2)cc1 ZINC000065315522 569134088 /nfs/dbraw/zinc/13/40/88/569134088.db2.gz FLBSZNCGLVAXQU-IBGZPJMESA-N 0 0 449.555 4.409 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(-n2ccnc2)n1 ZINC000036705830 569134464 /nfs/dbraw/zinc/13/44/64/569134464.db2.gz MSCHGDOXMRJJBL-UHFFFAOYSA-N 0 0 439.273 4.322 50 0 IIAARN Cc1nc(Nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc(-n2ccnc2)n1 ZINC000036705832 569134478 /nfs/dbraw/zinc/13/44/78/569134478.db2.gz NCSAOBJQSWTPGX-UHFFFAOYSA-N 0 0 434.887 4.385 50 0 IIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000036700409 569135366 /nfs/dbraw/zinc/13/53/66/569135366.db2.gz WTCPDMPOWIFONQ-HXUWFJFHSA-N 0 0 427.504 4.067 50 0 IIAARN CCN1c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2-c2ccccc2S1(=O)=O ZINC000065315059 569135704 /nfs/dbraw/zinc/13/57/04/569135704.db2.gz UVSNTJWKFXDMRV-UHFFFAOYSA-N 0 0 426.925 4.466 50 0 IIAARN COc1cccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)c1 ZINC000065314890 569135741 /nfs/dbraw/zinc/13/57/41/569135741.db2.gz SHPJUGKQYUUSKK-UHFFFAOYSA-N 0 0 448.592 4.310 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000065320272 569136059 /nfs/dbraw/zinc/13/60/59/569136059.db2.gz LLHAXYUMEILJBV-UNMCSNQZSA-N 0 0 444.535 4.378 50 0 IIAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)ncn4-c3ccccc3)nc21 ZINC000036709152 569136157 /nfs/dbraw/zinc/13/61/57/569136157.db2.gz IKTDTWVOTCAXHH-MRXNPFEDSA-N 0 0 432.505 4.327 50 0 IIAARN COc1ccc([C@@H](CNC(=O)c2cnn3c2nc(C)cc3C)c2c[nH]c3ccccc32)cc1 ZINC000036741007 569137315 /nfs/dbraw/zinc/13/73/15/569137315.db2.gz COHWTMRUAPNERF-OAQYLSRUSA-N 0 0 439.519 4.398 50 0 IIAARN CC[C@H](c1nnc(SCC(=O)NC2CCCCCC2)n1Cc1ccccc1)N(C)C ZINC000007167741 569137656 /nfs/dbraw/zinc/13/76/56/569137656.db2.gz IQFAERSVVWPODI-HXUWFJFHSA-N 0 0 429.634 4.270 50 0 IIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000036801042 569138111 /nfs/dbraw/zinc/13/81/11/569138111.db2.gz MEHKGIWBKMELRC-UHFFFAOYSA-N 0 0 427.460 4.008 50 0 IIAARN COc1ccc(Br)cc1CN(C)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000036874496 569138602 /nfs/dbraw/zinc/13/86/02/569138602.db2.gz IHNCSQKMBNPFAJ-FQEVSTJZSA-N 0 0 443.341 4.380 50 0 IIAARN O=C(Cn1c(=O)n2nc(-c3cccc(F)c3)nc2c2ccccc21)c1ccc(Cl)cc1 ZINC000065502098 569138933 /nfs/dbraw/zinc/13/89/33/569138933.db2.gz FTKWNRNLUBMVCY-UHFFFAOYSA-N 0 0 432.842 4.387 50 0 IIAARN Cc1csc([C@@](O)(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)C(F)(F)F)n1 ZINC000065530167 569139151 /nfs/dbraw/zinc/13/91/51/569139151.db2.gz IFXXMAYPNBRAIP-ICSRJNTNSA-N 0 0 435.471 4.025 50 0 IIAARN Cc1ccc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(S(=O)(=O)N(C)C)c1 ZINC000065532948 569139367 /nfs/dbraw/zinc/13/93/67/569139367.db2.gz FAEZTQQDHSSTTM-UHFFFAOYSA-N 0 0 442.324 4.181 50 0 IIAARN CCOc1cc2c(cc1CNc1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)O[C@H](C)C2 ZINC000065591412 569139940 /nfs/dbraw/zinc/13/99/40/569139940.db2.gz HNXOMMDSFPUKAD-GFCCVEGCSA-N 0 0 447.869 4.498 50 0 IIAARN O=C(N[C@H]1CC[C@@H](C(=O)Nc2nc(CN3CCCCC3)cs2)C1)OCc1ccccc1 ZINC000170595335 569141597 /nfs/dbraw/zinc/14/15/97/569141597.db2.gz YJDYHHQKPXCARW-MOPGFXCFSA-N 0 0 442.585 4.163 50 0 IIAARN C[C@@H]1CN(c2ccccc2NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000170602163 569143468 /nfs/dbraw/zinc/14/34/68/569143468.db2.gz KOAFHWVSDKOERW-IYBDPMFKSA-N 0 0 429.517 4.170 50 0 IIAARN CN(C)Cc1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1Br ZINC000170604614 569143624 /nfs/dbraw/zinc/14/36/24/569143624.db2.gz PHZGLSVBLDLGLE-UHFFFAOYSA-N 0 0 431.309 4.017 50 0 IIAARN COc1cc(NC(=O)CN(C)[C@@]2(c3ccccc3)CCCCC2=O)c(OC)cc1Cl ZINC000170607265 569144162 /nfs/dbraw/zinc/14/41/62/569144162.db2.gz GRPFWEOGBASDEX-HSZRJFAPSA-N 0 0 430.932 4.266 50 0 IIAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccccc2Cl)c1=O ZINC000037279637 569145711 /nfs/dbraw/zinc/14/57/11/569145711.db2.gz MDKUPMVFDLVFKN-UHFFFAOYSA-N 0 0 443.334 4.360 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccsc3)C2)c1 ZINC000170618411 569147035 /nfs/dbraw/zinc/14/70/35/569147035.db2.gz HOHCRYVLFAHDPR-FQEVSTJZSA-N 0 0 443.525 4.250 50 0 IIAARN Cc1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000170621680 569147763 /nfs/dbraw/zinc/14/77/63/569147763.db2.gz AMEQMQYNBNHQSC-OALUTQOASA-N 0 0 447.576 4.416 50 0 IIAARN COc1ccc2c(C)c(CCC(=O)N(C)[C@@H]3CCCc4nc(C)sc43)c(=O)oc2c1 ZINC000170624875 569148090 /nfs/dbraw/zinc/14/80/90/569148090.db2.gz HVGPHXOIAZGSNS-LJQANCHMSA-N 0 0 426.538 4.344 50 0 IIAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000170626605 569148778 /nfs/dbraw/zinc/14/87/78/569148778.db2.gz TYGGRGMUBCXCBM-UHFFFAOYSA-N 0 0 428.851 4.020 50 0 IIAARN CCc1ccc([C@H](NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C(C)C)cc1 ZINC000009758900 569148990 /nfs/dbraw/zinc/14/89/90/569148990.db2.gz LLYSXCHGSJBMCF-OAQYLSRUSA-N 0 0 449.642 4.160 50 0 IIAARN Cc1nc2cc(F)cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)c2nc1C ZINC000071186108 569149325 /nfs/dbraw/zinc/14/93/25/569149325.db2.gz HESWIFKIEYEIOD-BETUJISGSA-N 0 0 426.467 4.391 50 0 IIAARN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)c1ccc(-n2cncn2)cc1 ZINC000009955971 569151232 /nfs/dbraw/zinc/15/12/32/569151232.db2.gz QUMPYFCTTOWBJQ-BPIHKTFHSA-N 0 0 428.627 4.447 50 0 IIAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(-c4ccc5c(c4)OCO5)o3)nc(=O)c2c1C ZINC000009956283 569151264 /nfs/dbraw/zinc/15/12/64/569151264.db2.gz KLJJQMMIGQHLQN-SNVBAGLBSA-N 0 0 428.495 4.233 50 0 IIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(Cc3ccccc3)o2)c1 ZINC000010028596 569151772 /nfs/dbraw/zinc/15/17/72/569151772.db2.gz DTPZBJPUEOBHKO-LJQANCHMSA-N 0 0 439.537 4.133 50 0 IIAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ncc(-c2ccccc2)nn1 ZINC000010060479 569152627 /nfs/dbraw/zinc/15/26/27/569152627.db2.gz OWUHOGLKQUFSGQ-UHFFFAOYSA-N 0 0 447.545 4.097 50 0 IIAARN COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1OC ZINC000010219974 569152813 /nfs/dbraw/zinc/15/28/13/569152813.db2.gz QZQHPMTWKFTBPZ-AWEZNQCLSA-N 0 0 448.541 4.080 50 0 IIAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc1 ZINC000010218775 569153636 /nfs/dbraw/zinc/15/36/36/569153636.db2.gz WPEMISPHNFBDJV-UHFFFAOYSA-N 0 0 438.958 4.459 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000010219330 569153737 /nfs/dbraw/zinc/15/37/37/569153737.db2.gz KPALZCVCKYZDNO-UHFFFAOYSA-N 0 0 438.530 4.384 50 0 IIAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000010219496 569153744 /nfs/dbraw/zinc/15/37/44/569153744.db2.gz MOUGFFFCAFGWAJ-UHFFFAOYSA-N 0 0 447.563 4.026 50 0 IIAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000013801360 569157139 /nfs/dbraw/zinc/15/71/39/569157139.db2.gz JSJAGXNRTDIWRV-UHFFFAOYSA-N 0 0 430.430 4.449 50 0 IIAARN COC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000014099874 569157786 /nfs/dbraw/zinc/15/77/86/569157786.db2.gz PVMKKXPVKPXYGG-UHFFFAOYSA-N 0 0 436.441 4.014 50 0 IIAARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014141803 569157899 /nfs/dbraw/zinc/15/78/99/569157899.db2.gz RUMFUVWRHNIIHC-VMPITWQZSA-N 0 0 428.960 4.313 50 0 IIAARN COc1ccc(-c2noc(CCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000014189163 569158037 /nfs/dbraw/zinc/15/80/37/569158037.db2.gz DCRNTVXSQMRSJF-SIGOSDGXSA-N 0 0 439.556 4.408 50 0 IIAARN CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc(C(=O)OCC)c1 ZINC000014260191 569158316 /nfs/dbraw/zinc/15/83/16/569158316.db2.gz DIMCNGMUKFGQGW-UHFFFAOYSA-N 0 0 437.452 4.014 50 0 IIAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000014503086 569159190 /nfs/dbraw/zinc/15/91/90/569159190.db2.gz IKQQZELFYDBQHX-QFIPXVFZSA-N 0 0 442.563 4.006 50 0 IIAARN COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCCC1 ZINC000014578382 569159379 /nfs/dbraw/zinc/15/93/79/569159379.db2.gz DYVGZHSALYTHTI-UHFFFAOYSA-N 0 0 432.586 4.025 50 0 IIAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000089646975 569160455 /nfs/dbraw/zinc/16/04/55/569160455.db2.gz KMWAKDQNPCOADO-UHFFFAOYSA-N 0 0 436.599 4.094 50 0 IIAARN COc1ccccc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1N ZINC000089694251 569161408 /nfs/dbraw/zinc/16/14/08/569161408.db2.gz DDEQFLYCSGFOJU-UHFFFAOYSA-N 0 0 427.530 4.307 50 0 IIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000089780750 569162929 /nfs/dbraw/zinc/16/29/29/569162929.db2.gz QBBKXCBMNCIZRX-UHFFFAOYSA-N 0 0 435.958 4.377 50 0 IIAARN Cc1nc2c3ccccc3sc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000016841596 569163339 /nfs/dbraw/zinc/16/33/39/569163339.db2.gz KPZDXPVCMVMSMC-UHFFFAOYSA-N 0 0 446.301 4.460 50 0 IIAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016843325 569163616 /nfs/dbraw/zinc/16/36/16/569163616.db2.gz REFYCMYKCLCFQC-UHFFFAOYSA-N 0 0 442.522 4.185 50 0 IIAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)c(OC)c1 ZINC000016843590 569163674 /nfs/dbraw/zinc/16/36/74/569163674.db2.gz SWPCGWTZSBSWCO-UHFFFAOYSA-N 0 0 442.522 4.152 50 0 IIAARN COc1cccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000016960261 569168075 /nfs/dbraw/zinc/16/80/75/569168075.db2.gz VZGKIEKWYXXOOS-LJQANCHMSA-N 0 0 435.954 4.355 50 0 IIAARN COc1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1OC ZINC000016959644 569168080 /nfs/dbraw/zinc/16/80/80/569168080.db2.gz MLTDRVWVBOWKTI-UHFFFAOYSA-N 0 0 429.929 4.256 50 0 IIAARN CCCCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1[C@H](CC)N(C)C ZINC000089955425 569168808 /nfs/dbraw/zinc/16/88/08/569168808.db2.gz JEDOJNOFJBIGQM-KRWDZBQOSA-N 0 0 430.578 4.442 50 0 IIAARN COc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC000016992044 569169693 /nfs/dbraw/zinc/16/96/93/569169693.db2.gz GIDFVTFVXMQLIA-UHFFFAOYSA-N 0 0 429.929 4.078 50 0 IIAARN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000089984911 569169951 /nfs/dbraw/zinc/16/99/51/569169951.db2.gz GEKUQUDXBQKMAZ-GOSISDBHSA-N 0 0 440.912 4.140 50 0 IIAARN CC1([C@@H]2CC[C@H]3[C@H]4CC[C@H]5CC6(CC[C@]57C[C@]47C(=O)C[C@]3(C)C2)OCCO6)OCCO1 ZINC000254440296 569170256 /nfs/dbraw/zinc/17/02/56/569170256.db2.gz MWYMQFWKJZGZAP-OQANQBNOSA-N 0 0 430.585 4.475 50 0 IIAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cccc(Br)c1 ZINC000017011232 569170472 /nfs/dbraw/zinc/17/04/72/569170472.db2.gz DXTWRKBLHGPMKV-UHFFFAOYSA-N 0 0 449.308 4.412 50 0 IIAARN Cc1cc(NC(=O)c2ccccc2C)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017026135 569171084 /nfs/dbraw/zinc/17/10/84/569171084.db2.gz YJHRGIGCLXLRFU-UHFFFAOYSA-N 0 0 437.507 4.487 50 0 IIAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2c(F)cccc2Cl)cc1 ZINC000017041494 569171495 /nfs/dbraw/zinc/17/14/95/569171495.db2.gz OXCGGPNXQMWSEO-UHFFFAOYSA-N 0 0 433.936 4.085 50 0 IIAARN C[C@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037356457 569172111 /nfs/dbraw/zinc/17/21/11/569172111.db2.gz LSSCONMDSHCGGD-HNNXBMFYSA-N 0 0 426.879 4.412 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4F)ncn3)C[C@H]2C)cc1 ZINC000037356435 569172188 /nfs/dbraw/zinc/17/21/88/569172188.db2.gz NBUOTQNTJNMVQX-QGZVFWFLSA-N 0 0 436.487 4.076 50 0 IIAARN Cc1cc(NC(=O)c2cccc(C)c2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000017122697 569174253 /nfs/dbraw/zinc/17/42/53/569174253.db2.gz QRCOUJSBNHTGKE-UHFFFAOYSA-N 0 0 437.507 4.487 50 0 IIAARN Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000017136052 569174477 /nfs/dbraw/zinc/17/44/77/569174477.db2.gz SBFFLFVJUHDHED-OAQYLSRUSA-N 0 0 447.553 4.214 50 0 IIAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4C)oc3C)c2C)c(OC)c1 ZINC000017136091 569174487 /nfs/dbraw/zinc/17/44/87/569174487.db2.gz MSKGHLBUYYZWSB-UHFFFAOYSA-N 0 0 447.495 4.176 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)Nc1ccc(F)cc1 ZINC000017179032 569175629 /nfs/dbraw/zinc/17/56/29/569175629.db2.gz LZFZQPHJYJXGOQ-UHFFFAOYSA-N 0 0 441.553 4.004 50 0 IIAARN COc1ccccc1-c1nc(NCCc2ccccn2)nc2nn(-c3ccccc3)c(N)c21 ZINC000037358170 569176035 /nfs/dbraw/zinc/17/60/35/569176035.db2.gz NRDXTUJSHSZWNO-UHFFFAOYSA-N 0 0 437.507 4.123 50 0 IIAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1c(=O)c2ccccc2oc1-c1ccccc1 ZINC000000936006 569176258 /nfs/dbraw/zinc/17/62/58/569176258.db2.gz QGFWPEHCCJQLAV-UHFFFAOYSA-N 0 0 439.423 4.052 50 0 IIAARN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000001061883 569176580 /nfs/dbraw/zinc/17/65/80/569176580.db2.gz DJXYFNIGOZMSEG-ZDUSSCGKSA-N 0 0 443.352 4.041 50 0 IIAARN Cc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000002871474 569177435 /nfs/dbraw/zinc/17/74/35/569177435.db2.gz FFRVMPCQRYYNKY-UHFFFAOYSA-N 0 0 437.879 4.341 50 0 IIAARN Cc1cc(OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002093708 569178990 /nfs/dbraw/zinc/17/89/90/569178990.db2.gz NGOJCZPABDOTCU-QGZVFWFLSA-N 0 0 427.497 4.285 50 0 IIAARN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000002102703 569179826 /nfs/dbraw/zinc/17/98/26/569179826.db2.gz ITSCQCNNKPDZBV-UWUFEASWSA-N 0 0 425.525 4.221 50 0 IIAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc1 ZINC000002107762 569181304 /nfs/dbraw/zinc/18/13/04/569181304.db2.gz FQSIPBLHTALEJB-OZXSUGGESA-N 0 0 427.548 4.494 50 0 biogenic IIAARN CC1CCC(N2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccccc3)C2=O)CC1 ZINC000002118353 569182613 /nfs/dbraw/zinc/18/26/13/569182613.db2.gz JHDQKLRJRXEJRB-WMBNHEOSSA-N 0 0 427.548 4.432 50 0 biogenic IIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000252214994 569182966 /nfs/dbraw/zinc/18/29/66/569182966.db2.gz XJWRPMPSJBGOOU-JKSUJKDBSA-N 0 0 432.973 4.352 50 0 IIAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NCc1cccnc1)nc2-c1cccc(F)c1 ZINC000037376354 569185639 /nfs/dbraw/zinc/18/56/39/569185639.db2.gz WDHMPKCOXAXYCO-UHFFFAOYSA-N 0 0 447.424 4.489 50 0 IIAARN Cc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3NS(C)(=O)=O)C2)cc1 ZINC000252489109 569186700 /nfs/dbraw/zinc/18/67/00/569186700.db2.gz JFONPMVSYJXIRI-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2c3ccc(OC)c(OC)c3C(=O)N2Cc2ccccc2)cc1 ZINC000002145279 569186888 /nfs/dbraw/zinc/18/68/88/569186888.db2.gz AZHYFOVSCMGBAD-QFIPXVFZSA-N 0 0 432.476 4.048 50 0 biogenic IIAARN Cc1c(C)c(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000002149153 569187075 /nfs/dbraw/zinc/18/70/75/569187075.db2.gz CPIDTZUSZDPONQ-FQEVSTJZSA-N 0 0 437.492 4.451 50 0 biogenic IIAARN Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1)C3 ZINC000208039059 569187220 /nfs/dbraw/zinc/18/72/20/569187220.db2.gz NRSRNARYKOECDG-UHFFFAOYSA-N 0 0 438.940 4.105 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1cn(CCOC)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000252493893 569187823 /nfs/dbraw/zinc/18/78/23/569187823.db2.gz NGAWRCOVWGZYQG-KSFYIVLOSA-N 0 0 432.524 4.041 50 0 IIAARN COc1ccc(OC)c2c1CN(C(=O)c1c(C)onc1-c1c(F)cccc1Cl)C[C@H]2O ZINC000170644252 569188572 /nfs/dbraw/zinc/18/85/72/569188572.db2.gz UTHCJZUOUDKADN-OAHLLOKOSA-N 0 0 446.862 4.149 50 0 IIAARN CN1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000252604855 569194266 /nfs/dbraw/zinc/19/42/66/569194266.db2.gz GEMFAWUXUVGGTE-AOSIDENFSA-N 0 0 428.580 4.057 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)NC(C)(C)C)c2)cc1 ZINC000037400044 569194849 /nfs/dbraw/zinc/19/48/49/569194849.db2.gz RJQDVHADZSWQKY-UHFFFAOYSA-N 0 0 448.585 4.429 50 0 IIAARN CC(C)S(=O)(=O)Oc1cccc(CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c1 ZINC000037400155 569194853 /nfs/dbraw/zinc/19/48/53/569194853.db2.gz JDSYVVBNQAVGKP-UHFFFAOYSA-N 0 0 431.485 4.378 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)CC(C)C)cc2)cc1 ZINC000037400166 569194854 /nfs/dbraw/zinc/19/48/54/569194854.db2.gz LKGGYTJQBBXABV-UHFFFAOYSA-N 0 0 433.570 4.494 50 0 IIAARN O=C(/N=c1\sccn1Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000037428169 569196058 /nfs/dbraw/zinc/19/60/58/569196058.db2.gz GRVRSXPEJGZHAB-MEFGMAGPSA-N 0 0 445.466 4.250 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccnc1 ZINC000037443035 569197044 /nfs/dbraw/zinc/19/70/44/569197044.db2.gz RYDUOCMMEBGZFX-YLNUKYHNSA-N 0 0 436.581 4.207 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1F ZINC000037443962 569197139 /nfs/dbraw/zinc/19/71/39/569197139.db2.gz QSTAOBHEAQDDCS-VGYIUAJSSA-N 0 0 448.542 4.285 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccccc1 ZINC000037443848 569197159 /nfs/dbraw/zinc/19/71/59/569197159.db2.gz BVODNMFWEZUONI-DZTNWFRXSA-N 0 0 430.552 4.146 50 0 IIAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1ccc(F)cc1 ZINC000037443927 569197181 /nfs/dbraw/zinc/19/71/81/569197181.db2.gz WFMSRGCGUHRGLR-VGYIUAJSSA-N 0 0 448.542 4.285 50 0 IIAARN CC(C)N(C)C(=O)c1ccccc1N1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000037524944 569198882 /nfs/dbraw/zinc/19/88/82/569198882.db2.gz NVFFSVVAJKAVDD-UHFFFAOYSA-N 0 0 428.577 4.262 50 0 IIAARN CC(C)(C)c1ccc(Cn2c(C(=O)NCCN3CCOCC3)cc3sccc32)cc1 ZINC000037526048 569199070 /nfs/dbraw/zinc/19/90/70/569199070.db2.gz YZXPQEDYHFQJNR-UHFFFAOYSA-N 0 0 425.598 4.111 50 0 IIAARN COc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(Br)cc21 ZINC000037543245 569199432 /nfs/dbraw/zinc/19/94/32/569199432.db2.gz KZUUZMJKYMRIPR-AWEZNQCLSA-N 0 0 449.370 4.431 50 0 IIAARN CCCCNC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546600 569200199 /nfs/dbraw/zinc/20/01/99/569200199.db2.gz OCXXDUDGPWCRFX-JTHBVZDNSA-N 0 0 425.548 4.447 50 0 IIAARN COc1ccc(CCNC(=O)[C@H]2CC[C@H](c3cccc(C)c3)N(C(=O)NC(C)C)C2)cc1 ZINC000037546636 569200232 /nfs/dbraw/zinc/20/02/32/569200232.db2.gz FQTHTLIVWMHZGR-LADGPHEKSA-N 0 0 437.584 4.234 50 0 IIAARN CCCCNC(=O)N1C[C@H](C(=O)NCCc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000037546601 569200264 /nfs/dbraw/zinc/20/02/64/569200264.db2.gz OCXXDUDGPWCRFX-GGAORHGYSA-N 0 0 425.548 4.447 50 0 IIAARN Cc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@@H](c4ccc(F)cc4)NC3=O)c2)c1 ZINC000037553669 569200322 /nfs/dbraw/zinc/20/03/22/569200322.db2.gz KFCLBYLQGWXJQN-QHCPKHFHSA-N 0 0 445.494 4.247 50 0 IIAARN Cc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@H](c4ccc(F)cc4)NC3=O)c2)c1 ZINC000037553668 569200368 /nfs/dbraw/zinc/20/03/68/569200368.db2.gz KFCLBYLQGWXJQN-HSZRJFAPSA-N 0 0 445.494 4.247 50 0 IIAARN CN(C1CCCCC1)S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037553395 569200381 /nfs/dbraw/zinc/20/03/81/569200381.db2.gz YMOOZXQHLAYDSE-DHIUTWEWSA-N 0 0 430.570 4.360 50 0 IIAARN Cc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@@H](c4ccccc4)NC3=O)c2)c1 ZINC000037554151 569200389 /nfs/dbraw/zinc/20/03/89/569200389.db2.gz PRMJAWYBFPHDAY-QHCPKHFHSA-N 0 0 427.504 4.108 50 0 IIAARN Cc1ccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccccc2Cl)cc1 ZINC000037557678 569200709 /nfs/dbraw/zinc/20/07/09/569200709.db2.gz SVXVIGZIKVPLAM-UHFFFAOYSA-N 0 0 436.943 4.405 50 0 IIAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2C)cc1 ZINC000037556767 569200717 /nfs/dbraw/zinc/20/07/17/569200717.db2.gz YAKAXUWFTQPGRF-UHFFFAOYSA-N 0 0 434.511 4.286 50 0 IIAARN COc1cc2c(cc1OC)-c1cc(Sc3ccc(Br)cc3)nc(=O)n1CC2 ZINC000066088667 569205624 /nfs/dbraw/zinc/20/56/24/569205624.db2.gz XSNDCNBZFJRELV-UHFFFAOYSA-N 0 0 445.338 4.397 50 0 IIAARN NC(=O)c1cc2cc(Br)ccc2oc1=Nc1ccc(OC(F)(F)F)cc1 ZINC000252670033 569209916 /nfs/dbraw/zinc/20/99/16/569209916.db2.gz JIYCILSHDFLXSY-UHFFFAOYSA-N 0 0 427.176 4.425 50 0 IIAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)cc1 ZINC000002908587 569212892 /nfs/dbraw/zinc/21/28/92/569212892.db2.gz VYEIWYLLULWKTO-UHFFFAOYSA-N 0 0 427.595 4.356 50 0 IIAARN O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000027496294 569215688 /nfs/dbraw/zinc/21/56/88/569215688.db2.gz AQITUMRAOXYXOU-ZDUSSCGKSA-N 0 0 438.167 4.148 50 0 IIAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(OC)c3)N2C1=O ZINC000002255836 569216761 /nfs/dbraw/zinc/21/67/61/569216761.db2.gz AZWBDFASPOKRCN-TZIWHRDSSA-N 0 0 436.533 4.477 50 0 IIAARN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002255935 569216901 /nfs/dbraw/zinc/21/69/01/569216901.db2.gz AEQRMQIURDECCN-UHFFFAOYSA-N 0 0 446.507 4.381 50 0 IIAARN Cc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1 ZINC000117096367 569253854 /nfs/dbraw/zinc/25/38/54/569253854.db2.gz XGJCUFHRNSRFBO-UHFFFAOYSA-N 0 0 427.480 4.456 50 0 IIAARN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000019798825 569256944 /nfs/dbraw/zinc/25/69/44/569256944.db2.gz RYUGNRGDGAXQJW-UHFFFAOYSA-N 0 0 432.863 4.371 50 0 IIAARN COc1cccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522933 569262756 /nfs/dbraw/zinc/26/27/56/569262756.db2.gz VESKUDXFZRDARF-PKTZIBPZSA-N 0 0 426.472 4.065 50 0 IIAARN COc1ccc(-c2nc(CCNC(=O)c3cc(OCc4ccccc4)ncn3)cs2)cc1 ZINC000253401466 569265003 /nfs/dbraw/zinc/26/50/03/569265003.db2.gz MZILFPDLCQDWMY-UHFFFAOYSA-N 0 0 446.532 4.160 50 0 IIAARN COC1CCN(c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)CC1 ZINC000253401420 569265028 /nfs/dbraw/zinc/26/50/28/569265028.db2.gz MWAHPQMCHRPAAU-UHFFFAOYSA-N 0 0 447.501 4.283 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O ZINC000253411693 569265864 /nfs/dbraw/zinc/26/58/64/569265864.db2.gz OYPJJSCFCHLKIX-NRFANRHFSA-N 0 0 432.476 4.033 50 0 biogenic IIAARN COc1cccc([C@H](O)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000253426108 569267380 /nfs/dbraw/zinc/26/73/80/569267380.db2.gz ILBKZMYMNCDOJA-RTWAWAEBSA-N 0 0 442.556 4.137 50 0 IIAARN CCSc1nnc2n1-c1nnc(SCC)n1-c1sc3c(c1-2)C[C@@](C)(CC)OC3 ZINC000002293982 569268158 /nfs/dbraw/zinc/26/81/58/569268158.db2.gz WWMFKQKNYUYGNZ-GOSISDBHSA-N 0 0 434.616 4.355 50 0 IIAARN O=C(Nc1ncc(-c2cncc(F)c2)cn1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000253431801 569268567 /nfs/dbraw/zinc/26/85/67/569268567.db2.gz UDNPVDNJAWPILI-UHFFFAOYSA-N 0 0 429.242 4.423 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCN1CCOCC1 ZINC000253531186 569283925 /nfs/dbraw/zinc/28/39/25/569283925.db2.gz SOVVOZGIBCKCDI-FYQHCMNTSA-N 0 0 431.617 4.232 50 0 biogenic IIAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002352804 569284348 /nfs/dbraw/zinc/28/43/48/569284348.db2.gz YORMRLCHQGPMPR-GFCCVEGCSA-N 0 0 440.887 4.010 50 0 IIAARN CC(C)OC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002360298 569286875 /nfs/dbraw/zinc/28/68/75/569286875.db2.gz ZGQIYEDZXJUHEX-UHFFFAOYSA-N 0 0 425.286 4.484 50 0 IIAARN CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002363664 569287732 /nfs/dbraw/zinc/28/77/32/569287732.db2.gz FWQLBYPFHHUGON-BEFAXECRSA-N 0 0 431.558 4.281 50 0 IIAARN CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002363666 569287834 /nfs/dbraw/zinc/28/78/34/569287834.db2.gz FWQLBYPFHHUGON-DNVCBOLYSA-N 0 0 431.558 4.281 50 0 IIAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)c1C2 ZINC000252497961 569288025 /nfs/dbraw/zinc/28/80/25/569288025.db2.gz QSCZWQBFAOMRMO-LJQANCHMSA-N 0 0 443.507 4.242 50 0 IIAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)c1 ZINC000002366544 569288453 /nfs/dbraw/zinc/28/84/53/569288453.db2.gz LXOBWIUNHMRBMH-UHFFFAOYSA-N 0 0 438.340 4.095 50 0 IIAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002399234 569299015 /nfs/dbraw/zinc/29/90/15/569299015.db2.gz WCJOOHWRSYOLAK-HNNXBMFYSA-N 0 0 445.523 4.251 50 0 IIAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)O[C@H](C(N)=O)c1ccccc1 ZINC000010937117 569301710 /nfs/dbraw/zinc/30/17/10/569301710.db2.gz NSLHRSMLXUKBEZ-SGWGQVFISA-N 0 0 444.318 4.330 50 0 IIAARN CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000002422425 569302108 /nfs/dbraw/zinc/30/21/08/569302108.db2.gz NEOIYXVIDPNKRZ-FYWNELHYSA-N 0 0 448.357 4.026 50 0 IIAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000002423211 569302199 /nfs/dbraw/zinc/30/21/99/569302199.db2.gz ASXOBGZOIZMCIG-HNNXBMFYSA-N 0 0 443.953 4.309 50 0 IIAARN Cc1ccc(-n2ncc(C(=O)NCc3ccccc3Cn3cccn3)c2C(F)(F)F)cc1 ZINC000013002504 569306158 /nfs/dbraw/zinc/30/61/58/569306158.db2.gz FBMLIMOQZCBVPF-UHFFFAOYSA-N 0 0 439.441 4.374 50 0 IIAARN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000013001275 569306189 /nfs/dbraw/zinc/30/61/89/569306189.db2.gz JIWQAKCITKAQAS-PEBXRYMYSA-N 0 0 448.350 4.255 50 0 IIAARN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)nn2)n1 ZINC000013010012 569306674 /nfs/dbraw/zinc/30/66/74/569306674.db2.gz CXOCXVUAKHWCLT-UHFFFAOYSA-N 0 0 434.525 4.132 50 0 IIAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000013015267 569307029 /nfs/dbraw/zinc/30/70/29/569307029.db2.gz AQRGYOHCQRDXOH-UHFFFAOYSA-N 0 0 449.304 4.127 50 0 IIAARN COC(=O)c1cc2ccccc2cc1OCC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000013023157 569307239 /nfs/dbraw/zinc/30/72/39/569307239.db2.gz RMNMZCOJBVDIHN-UHFFFAOYSA-N 0 0 427.884 4.196 50 0 IIAARN COc1cc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc(OC)c1OC ZINC000013018925 569307249 /nfs/dbraw/zinc/30/72/49/569307249.db2.gz KEAQJRXNUCVTMV-GUEZKQMUSA-N 0 0 444.572 4.008 50 0 IIAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O ZINC000013027288 569307345 /nfs/dbraw/zinc/30/73/45/569307345.db2.gz VXEOKHKRHWBBBT-LBPRGKRZSA-N 0 0 432.343 4.298 50 0 IIAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013031997 569307511 /nfs/dbraw/zinc/30/75/11/569307511.db2.gz ZIBJEWJZGSEIKU-UHFFFAOYSA-N 0 0 426.731 4.043 50 0 IIAARN COc1ccc(C=CC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 ZINC000013076227 569309196 /nfs/dbraw/zinc/30/91/96/569309196.db2.gz DQHWTTGDCWJXHM-DUATZTFESA-N 0 0 449.547 4.153 50 0 IIAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)NC2CCCC2)cc1 ZINC000013074895 569309264 /nfs/dbraw/zinc/30/92/64/569309264.db2.gz LHRZAKFRIFPALE-UHFFFAOYSA-N 0 0 438.553 4.285 50 0 IIAARN Cc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)coc2c1 ZINC000013096749 569309612 /nfs/dbraw/zinc/30/96/12/569309612.db2.gz BZJIDYLGLAYHFC-UHFFFAOYSA-N 0 0 426.538 4.487 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cs1 ZINC000013098249 569309934 /nfs/dbraw/zinc/30/99/34/569309934.db2.gz WVPJIJDCLORFQM-SJPCQFCGSA-N 0 0 426.538 4.071 50 0 IIAARN Cc1cc(NC(=O)COC(=O)CSc2nc3ccccc3s2)n(-c2ccccc2)n1 ZINC000013109546 569310280 /nfs/dbraw/zinc/31/02/80/569310280.db2.gz LHNSXHAIOXYILN-UHFFFAOYSA-N 0 0 438.534 4.064 50 0 IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 ZINC000013110225 569310375 /nfs/dbraw/zinc/31/03/75/569310375.db2.gz SNDVPOBWRRPFMU-INIZCTEOSA-N 0 0 440.952 4.410 50 0 IIAARN CCN1c2ccccc2[C@]2(C1=O)c1c(C)nn(-c3ccccc3)c1N=C1C=CC(Cl)=NN12 ZINC000013149240 569312178 /nfs/dbraw/zinc/31/21/78/569312178.db2.gz TVQUAQCHRNCFNG-XMMPIXPASA-N 0 0 442.910 4.259 50 0 IIAARN Cc1ccccc1C(=O)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1 ZINC000013354102 569313401 /nfs/dbraw/zinc/31/34/01/569313401.db2.gz FLYWXXOOPNLJGU-UHFFFAOYSA-N 0 0 425.579 4.349 50 0 IIAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355134 569313566 /nfs/dbraw/zinc/31/35/66/569313566.db2.gz HOOUAIIVSLAJGT-UHFFFAOYSA-N 0 0 436.533 4.399 50 0 IIAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)Nc1ccccc1 ZINC000013356212 569313636 /nfs/dbraw/zinc/31/36/36/569313636.db2.gz GBLORMQZMAHIKZ-JOCHJYFZSA-N 0 0 426.513 4.434 50 0 IIAARN CCOC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000013366271 569314368 /nfs/dbraw/zinc/31/43/68/569314368.db2.gz RHONHNBVQWHKNP-QHCPKHFHSA-N 0 0 428.488 4.069 50 0 IIAARN Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000013368628 569314718 /nfs/dbraw/zinc/31/47/18/569314718.db2.gz JVDZOUNNVJLEPA-UHFFFAOYSA-N 0 0 447.512 4.228 50 0 IIAARN O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1cnc2onc(-c3ccccc3)c2c1 ZINC000328594493 569317594 /nfs/dbraw/zinc/31/75/94/569317594.db2.gz ODFHIENBEIEPON-UHFFFAOYSA-N 0 0 441.337 4.386 50 0 IIAARN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000078814418 569319288 /nfs/dbraw/zinc/31/92/88/569319288.db2.gz ZMXDXZRDDCYJFB-PKTZIBPZSA-N 0 0 430.589 4.176 50 0 IIAARN CCOc1ccc(C(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)cc1 ZINC000078878770 569320034 /nfs/dbraw/zinc/32/00/34/569320034.db2.gz VNQGXLKOFMVJPC-UHFFFAOYSA-N 0 0 437.500 4.147 50 0 IIAARN O=c1c(Cl)c(N(C[C@@H]2CCCO2)C2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000078903402 569320238 /nfs/dbraw/zinc/32/02/38/569320238.db2.gz LOYWFILNHDEDGU-HNNXBMFYSA-N 0 0 442.869 4.228 50 0 IIAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3CO)[C@H]2c2cccs2)cc1 ZINC000078939190 569320318 /nfs/dbraw/zinc/32/03/18/569320318.db2.gz NTYQIPALEXYPPD-QPPBQGQZSA-N 0 0 434.561 4.350 50 0 IIAARN Cc1nc(-c2ccc(C(=O)NCc3cccc(NC(=O)c4ccc(C)cc4)c3)cc2)n[nH]1 ZINC000078965524 569320616 /nfs/dbraw/zinc/32/06/16/569320616.db2.gz SSXWBXDZNARQFR-UHFFFAOYSA-N 0 0 425.492 4.271 50 0 IIAARN Cc1ccc(N2CCCC2)c(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000078986919 569321229 /nfs/dbraw/zinc/32/12/29/569321229.db2.gz YZCYXKPVNWBGRK-GOSISDBHSA-N 0 0 436.474 4.126 50 0 IIAARN COC(=O)c1ccc2c(=O)[nH]c(CN3CCCCC[C@@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000079024389 569322826 /nfs/dbraw/zinc/32/28/26/569322826.db2.gz JFWBUTWWHRXCOZ-APWZRJJASA-N 0 0 441.553 4.052 50 0 IIAARN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000079026387 569323001 /nfs/dbraw/zinc/32/30/01/569323001.db2.gz AGXVEWUPWOXAJL-BLVKFPJESA-N 0 0 430.936 4.466 50 0 IIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@H](c4cnn(C)c4)C3)o2)cc1 ZINC000079050500 569323397 /nfs/dbraw/zinc/32/33/97/569323397.db2.gz GKIDEABOPMVDOP-QHCPKHFHSA-N 0 0 428.492 4.264 50 0 IIAARN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000079069094 569324464 /nfs/dbraw/zinc/32/44/64/569324464.db2.gz DPTGUULTTCLXHA-KUHUBIRLSA-N 0 0 436.371 4.126 50 0 IIAARN COCCOCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000079093986 569325263 /nfs/dbraw/zinc/32/52/63/569325263.db2.gz DXQGCJSXQQADSP-SFTDATJTSA-N 0 0 432.358 4.244 50 0 IIAARN COC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000079096893 569325323 /nfs/dbraw/zinc/32/53/23/569325323.db2.gz VUBHJCRGWBVACR-MOPGFXCFSA-N 0 0 433.549 4.345 50 0 IIAARN O=C(Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1)N[C@@H]1CCCNC1=O ZINC000079110529 569326055 /nfs/dbraw/zinc/32/60/55/569326055.db2.gz OGSCJUBQCVOFOM-CQSZACIVSA-N 0 0 445.342 4.126 50 0 IIAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(Cl)o3)C2)c1 ZINC000079112275 569326278 /nfs/dbraw/zinc/32/62/78/569326278.db2.gz GLILWQWJGQOYSB-MRXNPFEDSA-N 0 0 447.900 4.279 50 0 IIAARN CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(Cl)c1-c1ccccc1 ZINC000019790591 569329245 /nfs/dbraw/zinc/32/92/45/569329245.db2.gz WZMGINGFOSDTPB-ZIAGYGMSSA-N 0 0 436.961 4.293 50 0 IIAARN COc1ccccc1OCC(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 ZINC000019855234 569330502 /nfs/dbraw/zinc/33/05/02/569330502.db2.gz OJJOGVYQVBVSMM-UHFFFAOYSA-N 0 0 428.492 4.083 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000019881304 569331613 /nfs/dbraw/zinc/33/16/13/569331613.db2.gz UPEKQJKCVWYTSE-UHFFFAOYSA-N 0 0 437.448 4.193 50 0 IIAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc(Br)c3)N2C1=O ZINC000002463458 569331816 /nfs/dbraw/zinc/33/18/16/569331816.db2.gz PPZSAQQHJZXOIO-GOEBONIOSA-N 0 0 437.359 4.439 50 0 IIAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(Cl)c1C)C(F)(F)F ZINC000020032580 569332498 /nfs/dbraw/zinc/33/24/98/569332498.db2.gz BPFRKNSPNSFWHY-IBGZPJMESA-N 0 0 444.837 4.321 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000020032633 569332614 /nfs/dbraw/zinc/33/26/14/569332614.db2.gz JQBLAKUKAVELCB-GOSISDBHSA-N 0 0 448.800 4.151 50 0 IIAARN CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000020116121 569335131 /nfs/dbraw/zinc/33/51/31/569335131.db2.gz PGVHKXRAXCYKQK-JWWWXHLMSA-N 0 0 438.612 4.204 50 0 IIAARN CCOC(=O)CSC1=N/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1c1ccccc1 ZINC000020152140 569336602 /nfs/dbraw/zinc/33/66/02/569336602.db2.gz RLBFGUURRHGWDL-QGOAFFKASA-N 0 0 440.521 4.134 50 0 IIAARN COc1ccc(CNC(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)cc1OC ZINC000390826205 569353876 /nfs/dbraw/zinc/35/38/76/569353876.db2.gz FMUJVPJRAWVCJJ-UHFFFAOYSA-N 0 0 449.555 4.117 50 0 IIAARN COCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179250 569354815 /nfs/dbraw/zinc/35/48/15/569354815.db2.gz HXOVSIFPMUSGMV-JLPGSUDCSA-N 0 0 446.478 4.169 50 0 IIAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)c1 ZINC000020180842 569355232 /nfs/dbraw/zinc/35/52/32/569355232.db2.gz REWIJZSRHRZPOC-KKYSFUGFSA-N 0 0 434.536 4.403 50 0 IIAARN COc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1OC ZINC000020241105 569357921 /nfs/dbraw/zinc/35/79/21/569357921.db2.gz YFVCEUZUQGRJKO-UHFFFAOYSA-N 0 0 426.538 4.259 50 0 biogenic IIAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020319248 569360071 /nfs/dbraw/zinc/36/00/71/569360071.db2.gz QORWYINXGCUDIX-HSZRJFAPSA-N 0 0 435.480 4.277 50 0 IIAARN C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)N1CCCCC1 ZINC000095348840 569361671 /nfs/dbraw/zinc/36/16/71/569361671.db2.gz LYTDJNRYIJYWLD-NSHDSACASA-N 0 0 444.700 4.273 50 0 IIAARN Cc1cccc(C)c1N1C(=O)C[C@H](Sc2nnc(Nc3ccccc3F)s2)C1=O ZINC000095351727 569361879 /nfs/dbraw/zinc/36/18/79/569361879.db2.gz FDNCZDMWUOAJRZ-HNNXBMFYSA-N 0 0 428.514 4.462 50 0 IIAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc3c(cc2c1N1CCCCC1)OCCO3 ZINC000020381606 569362608 /nfs/dbraw/zinc/36/26/08/569362608.db2.gz XMWSMVQMJZLCLU-UHFFFAOYSA-N 0 0 444.940 4.483 50 0 IIAARN Nc1nc2c(Br)cc(Br)cc2cc1S(=O)(=O)c1ccccc1 ZINC000020386728 569363131 /nfs/dbraw/zinc/36/31/31/569363131.db2.gz ODFJNJPPNXROFB-UHFFFAOYSA-N 0 0 442.132 4.175 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccc(F)cc3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417550 569365029 /nfs/dbraw/zinc/36/50/29/569365029.db2.gz NKHGJUTYXIMADS-UHFFFAOYSA-N 0 0 436.462 4.088 50 0 IIAARN CCc1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c1 ZINC000020417514 569365050 /nfs/dbraw/zinc/36/50/50/569365050.db2.gz IACBZWDTLIZCPT-UHFFFAOYSA-N 0 0 432.499 4.203 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020419027 569365137 /nfs/dbraw/zinc/36/51/37/569365137.db2.gz MEVRIKAOGIVKCP-UHFFFAOYSA-N 0 0 427.503 4.131 50 0 IIAARN COc1ccccc1-c1nn(CCC(=O)NCCc2ccccc2)c2nc(C)cc(C)c12 ZINC000020437619 569365590 /nfs/dbraw/zinc/36/55/90/569365590.db2.gz YHIATOUMWPWCJS-UHFFFAOYSA-N 0 0 428.536 4.473 50 0 IIAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCc2ccco2)c2ccccc21 ZINC000020439083 569365652 /nfs/dbraw/zinc/36/56/52/569365652.db2.gz CIWBILFTBTUWQB-HAHDFKILSA-N 0 0 443.503 4.350 50 0 IIAARN Cc1nc(C(=O)Nc2cnc(Cl)c(Br)c2)nn1-c1ccc(Cl)cc1 ZINC000095428262 569366104 /nfs/dbraw/zinc/36/61/04/569366104.db2.gz QAGMGBNHXKZXNG-UHFFFAOYSA-N 0 0 427.089 4.292 50 0 IIAARN C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000095431406 569366252 /nfs/dbraw/zinc/36/62/52/569366252.db2.gz KQBRDNNCJVAUDQ-UGSOOPFHSA-N 0 0 437.849 4.266 50 0 IIAARN O=S(=O)(Nc1ccncc1Br)c1cc(Cl)c(Br)s1 ZINC000095436553 569366548 /nfs/dbraw/zinc/36/65/48/569366548.db2.gz WMGAZERCSOMJBT-UHFFFAOYSA-N 0 0 432.546 4.122 50 0 IIAARN COC(=O)c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Br)c1 ZINC000095447951 569367482 /nfs/dbraw/zinc/36/74/82/569367482.db2.gz CZFJIHWAZYBALC-UHFFFAOYSA-N 0 0 439.114 4.343 50 0 IIAARN O=C(Nc1n[nH]c2ccc(NC(=O)c3ccnc(Cl)c3)cc21)c1ccnc(Cl)c1 ZINC000095451806 569367906 /nfs/dbraw/zinc/36/79/06/569367906.db2.gz INBVCBGRVWKKBX-UHFFFAOYSA-N 0 0 427.251 4.164 50 0 IIAARN CCc1ccc([C@H](NC(=O)COC(=O)c2cnc(Cl)c(N)c2)c2cccs2)cc1 ZINC000095452619 569368010 /nfs/dbraw/zinc/36/80/10/569368010.db2.gz XVSBHXLVVLKGSM-IBGZPJMESA-N 0 0 429.929 4.004 50 0 IIAARN CCc1nc2ccccc2n1C1CCN(C(=O)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000095459092 569369328 /nfs/dbraw/zinc/36/93/28/569369328.db2.gz AYKXKJWHZLRIMR-UHFFFAOYSA-N 0 0 428.540 4.274 50 0 IIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000095460957 569369781 /nfs/dbraw/zinc/36/97/81/569369781.db2.gz KVDIGZDQEHABEA-ZOKDDAQRSA-N 0 0 429.590 4.072 50 0 IIAARN Cc1ccc(OC2CCN(Cc3nc(-c4ccc(Br)s4)no3)CC2)nc1 ZINC000095462519 569370115 /nfs/dbraw/zinc/37/01/15/569370115.db2.gz RIBWXCUHPFCYER-UHFFFAOYSA-N 0 0 435.347 4.307 50 0 IIAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000095469805 569371695 /nfs/dbraw/zinc/37/16/95/569371695.db2.gz VBEQRTVLPNEFAS-JOCHJYFZSA-N 0 0 448.519 4.172 50 0 IIAARN COC(=O)CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccccc1C ZINC000095940964 569375461 /nfs/dbraw/zinc/37/54/61/569375461.db2.gz KYUARMQFARSQCG-UHFFFAOYSA-N 0 0 438.549 4.478 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945184 569375804 /nfs/dbraw/zinc/37/58/04/569375804.db2.gz ZKPOLUUNCVLHAO-JOCHJYFZSA-N 0 0 440.496 4.383 50 0 IIAARN CC[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095972116 569377503 /nfs/dbraw/zinc/37/75/03/569377503.db2.gz TVKNMYUNSXBAHY-APWZRJJASA-N 0 0 443.849 4.301 50 0 IIAARN O=C(c1cccnc1Oc1cccnc1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000095993295 569378359 /nfs/dbraw/zinc/37/83/59/569378359.db2.gz YHPWWEHHOWOVDZ-GOSISDBHSA-N 0 0 426.480 4.074 50 0 IIAARN COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)cc1 ZINC000096097187 569381374 /nfs/dbraw/zinc/38/13/74/569381374.db2.gz PJXQQMYOIIHGGA-KRWDZBQOSA-N 0 0 427.522 4.203 50 0 IIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099509 569381676 /nfs/dbraw/zinc/38/16/76/569381676.db2.gz YSBKCJHRFCXGFO-UHFFFAOYSA-N 0 0 448.928 4.116 50 0 IIAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccccc1F)C(=O)OC2 ZINC000096115331 569383319 /nfs/dbraw/zinc/38/33/19/569383319.db2.gz GMECHSAECIOYLD-RIYZIHGNSA-N 0 0 427.472 4.104 50 0 biogenic IIAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2ccccc2C)cc(=O)c1O ZINC000096116031 569383441 /nfs/dbraw/zinc/38/34/41/569383441.db2.gz YOBDCVSYKKEJJN-GOSISDBHSA-N 0 0 426.490 4.347 50 0 biogenic IIAARN CC(C)n1cc(CCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 ZINC000096116427 569383779 /nfs/dbraw/zinc/38/37/79/569383779.db2.gz DMNUXGZTAQZPKO-QHCPKHFHSA-N 0 0 444.535 4.350 50 0 biogenic IIAARN COC(=O)c1nc(NC(=O)CCc2ccc(OC)c(OC)c2)sc1-c1ccccc1 ZINC000096116747 569383911 /nfs/dbraw/zinc/38/39/11/569383911.db2.gz FLBXMTCMBHAJFE-UHFFFAOYSA-N 0 0 426.494 4.185 50 0 IIAARN CSCC[C@H](NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1)c1nnc2ccccn21 ZINC000096116951 569384027 /nfs/dbraw/zinc/38/40/27/569384027.db2.gz ZEVJCZMGXQOULF-IBGZPJMESA-N 0 0 447.568 4.104 50 0 IIAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1ccccc1OCc1ccccn1 ZINC000096118115 569384403 /nfs/dbraw/zinc/38/44/03/569384403.db2.gz ZVLDMCDGTQZHOY-OAQYLSRUSA-N 0 0 443.503 4.375 50 0 IIAARN COc1ccc(/C=C/C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1OC ZINC000096119054 569384528 /nfs/dbraw/zinc/38/45/28/569384528.db2.gz GYLYARVWCNMJNM-BVBGJJFLSA-N 0 0 425.510 4.235 50 0 IIAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl ZINC000096119849 569384837 /nfs/dbraw/zinc/38/48/37/569384837.db2.gz KNUKDZVKAOBWCW-UHFFFAOYSA-N 0 0 427.956 4.181 50 0 IIAARN O=C(CCc1cccc(OCc2ccccc2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096121925 569385149 /nfs/dbraw/zinc/38/51/49/569385149.db2.gz AXGKGFUJOGMBLP-UHFFFAOYSA-N 0 0 441.593 4.157 50 0 IIAARN O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124066 569385359 /nfs/dbraw/zinc/38/53/59/569385359.db2.gz RSMABZOXZLEWGG-NRFANRHFSA-N 0 0 443.526 4.135 50 0 IIAARN CC(C)n1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000096125341 569385628 /nfs/dbraw/zinc/38/56/28/569385628.db2.gz ADTHGHXNEDMWTA-CQSZACIVSA-N 0 0 436.940 4.124 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000096222579 569387212 /nfs/dbraw/zinc/38/72/12/569387212.db2.gz KSSWRUXVLNZVCO-VWNXMTODSA-N 0 0 431.536 4.351 50 0 biogenic IIAARN CCn1c(C(=O)NC[C@@]2(C)CCCO2)cc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000096275535 569388330 /nfs/dbraw/zinc/38/83/30/569388330.db2.gz KFUNDCRREKQLDO-RUZDIDTESA-N 0 0 437.515 4.280 50 0 IIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000096281396 569389907 /nfs/dbraw/zinc/38/99/07/569389907.db2.gz HTAYWXCJRHXRJJ-CYBMUJFWSA-N 0 0 427.220 4.460 50 0 IIAARN COCc1nnc(SCc2ccc(C(=O)N3CCCC3)cc2)n1-c1ccc(F)cc1 ZINC000096289659 569390786 /nfs/dbraw/zinc/39/07/86/569390786.db2.gz PMJDODQKBBRPLZ-UHFFFAOYSA-N 0 0 426.517 4.081 50 0 IIAARN CCN1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096290477 569390880 /nfs/dbraw/zinc/39/08/80/569390880.db2.gz BIMSCDOFTMNYCH-UHFFFAOYSA-N 0 0 449.357 4.237 50 0 IIAARN COc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)CC(C)C)n2)cc1OC ZINC000096291923 569391266 /nfs/dbraw/zinc/39/12/66/569391266.db2.gz GDXCURHMJUHOMQ-UHFFFAOYSA-N 0 0 437.540 4.414 50 0 IIAARN CCc1nc(C(C)C)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317033 569393091 /nfs/dbraw/zinc/39/30/91/569393091.db2.gz GYYVKXHFDOJBFP-UHFFFAOYSA-N 0 0 434.506 4.441 50 0 IIAARN CCNC(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317534 569393513 /nfs/dbraw/zinc/39/35/13/569393513.db2.gz PPKDCPOSCXPHDN-UHFFFAOYSA-N 0 0 447.986 4.397 50 0 IIAARN Cc1nc(C(C)C)c(Cc2ccc(F)cc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000096317690 569393616 /nfs/dbraw/zinc/39/36/16/569393616.db2.gz RAWSZVOEDRESOG-UHFFFAOYSA-N 0 0 427.568 4.268 50 0 IIAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4)no3)ccn2n1 ZINC000096322285 569394491 /nfs/dbraw/zinc/39/44/91/569394491.db2.gz MOTFBHRSVZWHCV-UHFFFAOYSA-N 0 0 441.491 4.440 50 0 IIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000096323170 569395159 /nfs/dbraw/zinc/39/51/59/569395159.db2.gz HDLDLPOPZSYPFV-UHFFFAOYSA-N 0 0 447.988 4.285 50 0 IIAARN COC(=O)c1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(C)cc5)nn34)C2)c1 ZINC000096323875 569395611 /nfs/dbraw/zinc/39/56/11/569395611.db2.gz XIIIUANFHUMBRA-UHFFFAOYSA-N 0 0 447.520 4.143 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(Cl)cc1)C3 ZINC000096326911 569396251 /nfs/dbraw/zinc/39/62/51/569396251.db2.gz SNVNHGVFIOZGQZ-UHFFFAOYSA-N 0 0 432.307 4.253 50 0 IIAARN CC(C)C(=O)NCCc1csc([C@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)n1 ZINC000096373128 569398059 /nfs/dbraw/zinc/39/80/59/569398059.db2.gz MUESSGLASJQTFJ-KRWDZBQOSA-N 0 0 434.005 4.060 50 0 IIAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000021860975 569400948 /nfs/dbraw/zinc/40/09/48/569400948.db2.gz 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569465602 /nfs/dbraw/zinc/46/56/02/569465602.db2.gz RSPIZCBDTFDEGM-QGZVFWFLSA-N 0 0 440.613 4.309 50 0 IIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCCc1ccc(Cl)cc1 ZINC000067239049 569465646 /nfs/dbraw/zinc/46/56/46/569465646.db2.gz ZJIGDQUGNMPMPE-CQSZACIVSA-N 0 0 432.977 4.108 50 0 IIAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCCc1ccc(Cl)cc1 ZINC000067239051 569465658 /nfs/dbraw/zinc/46/56/58/569465658.db2.gz ZJIGDQUGNMPMPE-AWEZNQCLSA-N 0 0 432.977 4.108 50 0 IIAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1ccc(-n2cccc2)cc1 ZINC000038679159 569466636 /nfs/dbraw/zinc/46/66/36/569466636.db2.gz ZZCCJTNRORTQJO-UHFFFAOYSA-N 0 0 428.536 4.178 50 0 IIAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCc5ccccc5C4)ccn3n2)cc1 ZINC000067262323 569466644 /nfs/dbraw/zinc/46/66/44/569466644.db2.gz DFBMLNWWPPDZLO-UHFFFAOYSA-N 0 0 440.547 4.261 50 0 IIAARN CCN(C(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O)c1cccc(C)c1 ZINC000067289422 569467498 /nfs/dbraw/zinc/46/74/98/569467498.db2.gz HKGJCSSJLIGMNP-UHFFFAOYSA-N 0 0 428.492 4.235 50 0 IIAARN COc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289916 569467536 /nfs/dbraw/zinc/46/75/36/569467536.db2.gz QPQFYHQJWIQBCA-UHFFFAOYSA-N 0 0 432.549 4.430 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 ZINC000067292381 569467738 /nfs/dbraw/zinc/46/77/38/569467738.db2.gz QBGOEDPDYPEHQO-PVCXERSVSA-N 0 0 445.288 4.476 50 0 IIAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc4c(c3)OCCO4)oc21 ZINC000067293493 569467797 /nfs/dbraw/zinc/46/77/97/569467797.db2.gz LPVOIFMVDDGLKU-LCUIJRPUSA-N 0 0 429.432 4.092 50 0 IIAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc(OC)c1 ZINC000067295848 569467957 /nfs/dbraw/zinc/46/79/57/569467957.db2.gz CLUKDIUWIWSJOT-FLFQWRMESA-N 0 0 437.477 4.400 50 0 IIAARN O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298738 569468056 /nfs/dbraw/zinc/46/80/56/569468056.db2.gz LKMZNPWXGLEMEB-BZIHZDCZSA-N 0 0 448.397 4.178 50 0 IIAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)Nc2ccc(-n3cccn3)cc2)cs1 ZINC000038739489 569468438 /nfs/dbraw/zinc/46/84/38/569468438.db2.gz ZNSAWBRTJPEEKE-KPKJPENVSA-N 0 0 429.505 4.162 50 0 IIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323380 569468779 /nfs/dbraw/zinc/46/87/79/569468779.db2.gz ZWTBHQKRBSMJNC-UHFFFAOYSA-N 0 0 431.418 4.113 50 0 IIAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000067335263 569468868 /nfs/dbraw/zinc/46/88/68/569468868.db2.gz ABSCCPVSLMZTFF-UHFFFAOYSA-N 0 0 433.461 4.108 50 0 IIAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 ZINC000067335306 569468903 /nfs/dbraw/zinc/46/89/03/569468903.db2.gz DZSLHUUTZCFOCA-UHFFFAOYSA-N 0 0 439.562 4.240 50 0 IIAARN CCOC(=O)C(C(=O)Nc1ccc(Br)cc1)=C1NC(C)(C)Cc2ccccc21 ZINC000008691590 569470055 /nfs/dbraw/zinc/47/00/55/569470055.db2.gz BIRJBIYALJEWSG-VHEBQXMUSA-N 0 0 443.341 4.286 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NCCc1cccs1 ZINC000008703879 569470230 /nfs/dbraw/zinc/47/02/30/569470230.db2.gz UPZFNRZHQGVCRI-UHFFFAOYSA-N 0 0 439.537 4.037 50 0 IIAARN CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008710584 569470925 /nfs/dbraw/zinc/47/09/25/569470925.db2.gz YPHLEZFDJGKYFD-UHFFFAOYSA-N 0 0 427.599 4.070 50 0 IIAARN CCOC(=O)c1csc(N2N=C(c3cccc4ccccc43)C[C@@]2(O)C(F)(F)F)n1 ZINC000008711427 569471005 /nfs/dbraw/zinc/47/10/05/569471005.db2.gz AWYAKKIBTLNEHE-LJQANCHMSA-N 0 0 435.427 4.338 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000008719411 569471459 /nfs/dbraw/zinc/47/14/59/569471459.db2.gz AVFSVBZPOPREDP-UHFFFAOYSA-N 0 0 439.560 4.432 50 0 IIAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1OC ZINC000008721985 569471739 /nfs/dbraw/zinc/47/17/39/569471739.db2.gz MZSXIWNEUABPOK-QFIPXVFZSA-N 0 0 435.549 4.178 50 0 IIAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1cc(C)ccc1C ZINC000008728513 569472396 /nfs/dbraw/zinc/47/23/96/569472396.db2.gz GFMHOHHJBYTOSA-AWEZNQCLSA-N 0 0 443.960 4.141 50 0 IIAARN O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1)OCc1ccccc1 ZINC000008740024 569472785 /nfs/dbraw/zinc/47/27/85/569472785.db2.gz GZYMTIWFYVKRSQ-JOCHJYFZSA-N 0 0 443.455 4.236 50 0 biogenic IIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000008748068 569473185 /nfs/dbraw/zinc/47/31/85/569473185.db2.gz IZHBIGBLOKXFOI-OAHLLOKOSA-N 0 0 425.916 4.399 50 0 IIAARN COC[C@H](C)n1c(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000008749300 569473289 /nfs/dbraw/zinc/47/32/89/569473289.db2.gz XRYDJRJUCZFVPN-JKSUJKDBSA-N 0 0 437.565 4.212 50 0 IIAARN CC(C)N(C(=O)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000008756290 569474095 /nfs/dbraw/zinc/47/40/95/569474095.db2.gz LMIZKDWNROQUQV-UHFFFAOYSA-N 0 0 426.520 4.408 50 0 IIAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008765807 569474785 /nfs/dbraw/zinc/47/47/85/569474785.db2.gz DEWHSWCBVBRQLO-UHFFFAOYSA-N 0 0 435.885 4.313 50 0 IIAARN O=C([C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1)N1CCCC1 ZINC000008766861 569474887 /nfs/dbraw/zinc/47/48/87/569474887.db2.gz MYAUFPNCIUSVKD-SIKLNZKXSA-N 0 0 449.576 4.031 50 0 IIAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2N)c(C)c1 ZINC000008768726 569475014 /nfs/dbraw/zinc/47/50/14/569475014.db2.gz NZPGHXZRZOJNKZ-UHFFFAOYSA-N 0 0 433.537 4.072 50 0 IIAARN CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CCc2ccccc2)CO1 ZINC000008769867 569475119 /nfs/dbraw/zinc/47/51/19/569475119.db2.gz COYQNPBIPBITCT-UHFFFAOYSA-N 0 0 446.572 4.367 50 0 IIAARN CCCCC1CCC(C(=O)Nc2cc(=O)n(-c3ccc(F)cc3)nc2C(=O)OCC)CC1 ZINC000008770423 569475123 /nfs/dbraw/zinc/47/51/23/569475123.db2.gz DIASQCHABAYESK-UHFFFAOYSA-N 0 0 443.519 4.483 50 0 IIAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000008770658 569475169 /nfs/dbraw/zinc/47/51/69/569475169.db2.gz LHZZAXLNWBXGCP-NMWGTECJSA-N 0 0 447.347 4.218 50 0 IIAARN CCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=O ZINC000008791110 569476188 /nfs/dbraw/zinc/47/61/88/569476188.db2.gz GFTFTGYDHODKAX-BTYIYWSLSA-N 0 0 430.508 4.152 50 0 biogenic IIAARN O=C(CSc1nccn1-c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 ZINC000008824351 569477190 /nfs/dbraw/zinc/47/71/90/569477190.db2.gz VDIJLGNYMLTCOH-UHFFFAOYSA-N 0 0 435.427 4.393 50 0 IIAARN O=C(COC(=O)c1ccccc1I)Nc1ccccc1C(F)(F)F ZINC000008825045 569477294 /nfs/dbraw/zinc/47/72/94/569477294.db2.gz SKGBOOBNWNSVDK-UHFFFAOYSA-N 0 0 449.166 4.106 50 0 IIAARN Cc1cc(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)nc2ccccc12 ZINC000008826490 569477575 /nfs/dbraw/zinc/47/75/75/569477575.db2.gz FVRDXZMELKYKQE-UHFFFAOYSA-N 0 0 443.326 4.206 50 0 IIAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1C ZINC000008843914 569478530 /nfs/dbraw/zinc/47/85/30/569478530.db2.gz XRYOGBCUTPMZRN-GOSISDBHSA-N 0 0 430.371 4.497 50 0 IIAARN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000008844326 569478584 /nfs/dbraw/zinc/47/85/84/569478584.db2.gz DIOBKZUNJMDUGT-UHFFFAOYSA-N 0 0 439.471 4.138 50 0 IIAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000008844579 569478674 /nfs/dbraw/zinc/47/86/74/569478674.db2.gz LPWUEBSSOTUZGL-QZTJIDSGSA-N 0 0 426.538 4.405 50 0 IIAARN COc1cc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845569 569478851 /nfs/dbraw/zinc/47/88/51/569478851.db2.gz HYRFREULVYQHQU-HSZRJFAPSA-N 0 0 431.448 4.143 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000008846016 569479023 /nfs/dbraw/zinc/47/90/23/569479023.db2.gz YCDMPZZJZXAJNW-OAQYLSRUSA-N 0 0 444.418 4.172 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(C)cc3)cs2)c1 ZINC000008850938 569479335 /nfs/dbraw/zinc/47/93/35/569479335.db2.gz YVLONKCBBWPPPU-UHFFFAOYSA-N 0 0 441.578 4.050 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)NCC4(c5ccccc5)CC4)c(=O)c23)cc1 ZINC000008851057 569479366 /nfs/dbraw/zinc/47/93/66/569479366.db2.gz HUUCVBQBTVRAQO-UHFFFAOYSA-N 0 0 429.545 4.281 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)c1 ZINC000008850946 569479374 /nfs/dbraw/zinc/47/93/74/569479374.db2.gz IOIFXTMVRBNWKI-HNNXBMFYSA-N 0 0 441.578 4.302 50 0 IIAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3OC)cs2)cc1 ZINC000008851511 569479406 /nfs/dbraw/zinc/47/94/06/569479406.db2.gz PUMODOZIZUAYPH-UHFFFAOYSA-N 0 0 443.550 4.072 50 0 IIAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc2c(c1)CCCC2 ZINC000008852274 569479456 /nfs/dbraw/zinc/47/94/56/569479456.db2.gz GPRZAGWDZFLJAJ-AWEZNQCLSA-N 0 0 441.988 4.161 50 0 IIAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000008856591 569479776 /nfs/dbraw/zinc/47/97/76/569479776.db2.gz ROOGAUYECSHAAP-PXNSSMCTSA-N 0 0 446.956 4.115 50 0 IIAARN CC[C@H](C)Nc1nc(NCCOC23CC4CC(CC(C4)C2)C3)nc(OCC(F)(F)F)n1 ZINC000008856966 569479835 /nfs/dbraw/zinc/47/98/35/569479835.db2.gz CGUUQTYRLKEGJA-IVKJLDKCSA-N 0 0 443.514 4.420 50 0 IIAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008862222 569480175 /nfs/dbraw/zinc/48/01/75/569480175.db2.gz ROUCHTHKYVIWMG-GFCCVEGCSA-N 0 0 440.529 4.041 50 0 IIAARN CCCOc1cccc(C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)c1 ZINC000008869855 569480463 /nfs/dbraw/zinc/48/04/63/569480463.db2.gz JKZIUPHJNUVUED-QFIPXVFZSA-N 0 0 437.561 4.458 50 0 IIAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 ZINC000008875966 569481046 /nfs/dbraw/zinc/48/10/46/569481046.db2.gz FMBNMYOJSPABSO-UHFFFAOYSA-N 0 0 433.562 4.379 50 0 IIAARN CC(C)=CCOc1ccc2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C ZINC000008877071 569481118 /nfs/dbraw/zinc/48/11/18/569481118.db2.gz XLNCXRIMNCUVGG-QFIPXVFZSA-N 0 0 435.520 4.147 50 0 biogenic IIAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c12 ZINC000008877401 569481182 /nfs/dbraw/zinc/48/11/82/569481182.db2.gz UCEADAUVPXWRPM-UHFFFAOYSA-N 0 0 448.519 4.282 50 0 biogenic IIAARN Cc1ccc([C@H](C)NC(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1C ZINC000039560972 569481733 /nfs/dbraw/zinc/48/17/33/569481733.db2.gz MUTJBCLKLAEIPY-JTQLQIEISA-N 0 0 430.719 4.275 50 0 IIAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC000039844006 569481855 /nfs/dbraw/zinc/48/18/55/569481855.db2.gz AHBSPJCWWGXFDQ-HOTGVXAUSA-N 0 0 430.501 4.236 50 0 IIAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000039979090 569482205 /nfs/dbraw/zinc/48/22/05/569482205.db2.gz XTJQGRYGVPIHSI-QFIPXVFZSA-N 0 0 428.536 4.418 50 0 IIAARN O=C(NCc1ccc(OC(F)F)cc1)Nc1cc2c(cc1Br)OCCO2 ZINC000040023941 569482777 /nfs/dbraw/zinc/48/27/77/569482777.db2.gz UFTHUUZHLNWVME-UHFFFAOYSA-N 0 0 429.217 4.143 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1C ZINC000040024762 569482803 /nfs/dbraw/zinc/48/28/03/569482803.db2.gz UDISUGIHRNLQFG-KRWDZBQOSA-N 0 0 435.524 4.026 50 0 IIAARN CC(=O)N[C@@H](CC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1)c1cccs1 ZINC000040032322 569483086 /nfs/dbraw/zinc/48/30/86/569483086.db2.gz PCNWQRVNTJHXCN-WBVHZDCISA-N 0 0 429.567 4.137 50 0 IIAARN CCN(CC(=O)NCc1cccs1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000040033468 569483131 /nfs/dbraw/zinc/48/31/31/569483131.db2.gz RDXVOFLLHCUBBX-UHFFFAOYSA-N 0 0 431.945 4.154 50 0 IIAARN C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000008888706 569483271 /nfs/dbraw/zinc/48/32/71/569483271.db2.gz QDYBUMSKFPCUDC-KRWDZBQOSA-N 0 0 438.119 4.179 50 0 IIAARN Cc1nn(C)c2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 ZINC000040040296 569483472 /nfs/dbraw/zinc/48/34/72/569483472.db2.gz YHVLOSUIAMAOSH-INIZCTEOSA-N 0 0 430.464 4.253 50 0 IIAARN Cc1nc(Cc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)o2)cs1 ZINC000008893620 569483567 /nfs/dbraw/zinc/48/35/67/569483567.db2.gz VFCXQXRUHOWDGZ-UHFFFAOYSA-N 0 0 436.562 4.423 50 0 IIAARN CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)c1ccccc1 ZINC000008895292 569483741 /nfs/dbraw/zinc/48/37/41/569483741.db2.gz GMJPXJHUKCRHIU-UHFFFAOYSA-N 0 0 442.471 4.006 50 0 IIAARN CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000008895665 569483829 /nfs/dbraw/zinc/48/38/29/569483829.db2.gz WUHAXOXYSVBMAE-SFHVURJKSA-N 0 0 439.516 4.098 50 0 IIAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000008898451 569483988 /nfs/dbraw/zinc/48/39/88/569483988.db2.gz QLXBHLIWCVTGFE-UHFFFAOYSA-N 0 0 437.455 4.009 50 0 IIAARN O=C(NCc1nnc2n1CCCCC2)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000040052417 569484532 /nfs/dbraw/zinc/48/45/32/569484532.db2.gz MXGBFEVQABUZMN-UHFFFAOYSA-N 0 0 431.471 4.396 50 0 IIAARN CC1CCN(c2nnc(SCc3noc(-c4ccsc4)n3)n2C[C@H]2CCCO2)CC1 ZINC000040057429 569484600 /nfs/dbraw/zinc/48/46/00/569484600.db2.gz ZDDRVDKCMSRBQL-MRXNPFEDSA-N 0 0 446.602 4.097 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)CC2=O)cc1 ZINC000008906434 569484618 /nfs/dbraw/zinc/48/46/18/569484618.db2.gz HULVYTBCHGXMMA-OAHLLOKOSA-N 0 0 442.541 4.270 50 0 IIAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1NS(C)(=O)=O ZINC000040058908 569484670 /nfs/dbraw/zinc/48/46/70/569484670.db2.gz NPRFCXGKRLSRJL-GOSISDBHSA-N 0 0 429.567 4.344 50 0 IIAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC2CCCCC2)s1 ZINC000008912481 569485012 /nfs/dbraw/zinc/48/50/12/569485012.db2.gz HLACIBLZFXFGQQ-UHFFFAOYSA-N 0 0 442.628 4.213 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)n(C)c1 ZINC000040070289 569485660 /nfs/dbraw/zinc/48/56/60/569485660.db2.gz FBJHYWHDJDMBJK-HNNXBMFYSA-N 0 0 437.993 4.075 50 0 IIAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000008916714 569485795 /nfs/dbraw/zinc/48/57/95/569485795.db2.gz YHDAWDICDFNERB-UHFFFAOYSA-N 0 0 429.929 4.281 50 0 IIAARN CCC(=O)Oc1ccc(-n2nnnc2C2(Nc3ccc(NC(C)=O)cc3)CCCCC2)cc1 ZINC000008916587 569485819 /nfs/dbraw/zinc/48/58/19/569485819.db2.gz WNOBUQSPOBOVTA-UHFFFAOYSA-N 0 0 448.527 4.208 50 0 IIAARN COc1ccc(CCNc2oc(Cc3ccc(OC)cc3)nc2P(=O)(OC)OC)cc1 ZINC000008917575 569486033 /nfs/dbraw/zinc/48/60/33/569486033.db2.gz AUYZVCTZRJKFNN-UHFFFAOYSA-N 0 0 446.440 4.048 50 0 IIAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000008917481 569486046 /nfs/dbraw/zinc/48/60/46/569486046.db2.gz HJLVSIMNGMMUQY-UHFFFAOYSA-N 0 0 427.913 4.389 50 0 IIAARN COc1ccc(Br)cc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000008918310 569486275 /nfs/dbraw/zinc/48/62/75/569486275.db2.gz QLWGWIPAZYWBTI-YUAYGMJFSA-N 0 0 427.342 4.485 50 0 biogenic IIAARN CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000008918482 569486279 /nfs/dbraw/zinc/48/62/79/569486279.db2.gz UVNDARASZBRXGJ-FXABVQRQSA-N 0 0 441.568 4.365 50 0 biogenic IIAARN COc1ccc(CNC(=O)c2cc3nc(N(C)C)n(-c4ccccc4)c3s2)cc1OC ZINC000040074796 569486367 /nfs/dbraw/zinc/48/63/67/569486367.db2.gz IIZNIWWVXURKQO-UHFFFAOYSA-N 0 0 436.537 4.100 50 0 IIAARN COc1cc(NC(=O)CSc2ccccc2C)c(C(=O)N2CCCCC2)cc1OC ZINC000040087620 569486751 /nfs/dbraw/zinc/48/67/51/569486751.db2.gz JAIYULMKUQYXDI-UHFFFAOYSA-N 0 0 428.554 4.369 50 0 IIAARN COc1cccc(C(=O)NC2CCN(C(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)c1 ZINC000040090967 569487425 /nfs/dbraw/zinc/48/74/25/569487425.db2.gz GUPKYYYWKBTPBJ-UHFFFAOYSA-N 0 0 439.537 4.063 50 0 IIAARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC000040094274 569487469 /nfs/dbraw/zinc/48/74/69/569487469.db2.gz GGOVFXIRKGRYOP-UHFFFAOYSA-N 0 0 429.492 4.276 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)Nc1cccc(F)c1 ZINC000008933032 569487718 /nfs/dbraw/zinc/48/77/18/569487718.db2.gz KABWMYOKYIOQEJ-UHFFFAOYSA-N 0 0 426.451 4.177 50 0 IIAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000008935960 569488062 /nfs/dbraw/zinc/48/80/62/569488062.db2.gz HDJVOIJJVOVLCG-ZDUSSCGKSA-N 0 0 432.929 4.321 50 0 IIAARN O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccc[nH]1 ZINC000008938268 569488224 /nfs/dbraw/zinc/48/82/24/569488224.db2.gz DELRRNKYMTVJMN-UHFFFAOYSA-N 0 0 440.322 4.451 50 0 IIAARN Cc1sc2[nH]c(SCC(=O)NCc3ccco3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000008943337 569488813 /nfs/dbraw/zinc/48/88/13/569488813.db2.gz KJLCCTMLJAHNON-UHFFFAOYSA-N 0 0 429.498 4.101 50 0 IIAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000040129443 569489813 /nfs/dbraw/zinc/48/98/13/569489813.db2.gz URVBBMHZOCUDNJ-UHFFFAOYSA-N 0 0 426.904 4.291 50 0 IIAARN CCN(CC)C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000008954038 569490074 /nfs/dbraw/zinc/49/00/74/569490074.db2.gz LYADTDZOYMGHCZ-ATVHPVEESA-N 0 0 447.944 4.287 50 0 IIAARN CCOc1ccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965197 569491330 /nfs/dbraw/zinc/49/13/30/569491330.db2.gz SQZPSNSARQXPOC-GOSISDBHSA-N 0 0 430.508 4.402 50 0 IIAARN Cc1c2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000008965414 569491440 /nfs/dbraw/zinc/49/14/40/569491440.db2.gz IEVXWGLWPQEJAH-SFHVURJKSA-N 0 0 428.536 4.049 50 0 IIAARN COc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1NC(=O)OC(C)(C)C ZINC000040142046 569491808 /nfs/dbraw/zinc/49/18/08/569491808.db2.gz HHYYWUHGELLLMQ-UHFFFAOYSA-N 0 0 447.923 4.338 50 0 IIAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)Cn2nc(C)cc2C)c1 ZINC000040142508 569491901 /nfs/dbraw/zinc/49/19/01/569491901.db2.gz GRRGCCRUFVMBJI-SFHVURJKSA-N 0 0 443.551 4.427 50 0 IIAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000040145422 569492092 /nfs/dbraw/zinc/49/20/92/569492092.db2.gz OEJUFVSHMDPIRI-QGZVFWFLSA-N 0 0 448.894 4.404 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 ZINC000040146155 569492219 /nfs/dbraw/zinc/49/22/19/569492219.db2.gz GJQQTLQFKHWGGC-DOGILYRISA-N 0 0 436.600 4.489 50 0 IIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1csc(-c2ncccn2)n1 ZINC000040146584 569492257 /nfs/dbraw/zinc/49/22/57/569492257.db2.gz LADQJYVVVRPOQJ-UHFFFAOYSA-N 0 0 431.308 4.404 50 0 IIAARN CN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2cccnc2)cc1 ZINC000008974762 569492918 /nfs/dbraw/zinc/49/29/18/569492918.db2.gz CABGYSPBMUXTIA-OAQYLSRUSA-N 0 0 436.475 4.244 50 0 IIAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000040150201 569493154 /nfs/dbraw/zinc/49/31/54/569493154.db2.gz GNCXDLTWKSGIIX-NRFANRHFSA-N 0 0 441.535 4.145 50 0 IIAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1 ZINC000008982032 569494519 /nfs/dbraw/zinc/49/45/19/569494519.db2.gz LVUFIAZWCYYSAC-UHFFFAOYSA-N 0 0 432.904 4.234 50 0 IIAARN Cc1ccc(-c2csc3ncn(CC(=O)NCc4ccccc4Cl)c(=O)c23)s1 ZINC000008988583 569494957 /nfs/dbraw/zinc/49/49/57/569494957.db2.gz UCYKXLFKFUAQLI-UHFFFAOYSA-N 0 0 429.954 4.465 50 0 IIAARN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(Cc3ccccc3Cl)[C@@H]2C1 ZINC000008991364 569495255 /nfs/dbraw/zinc/49/52/55/569495255.db2.gz AZNGDFUXTOVOKD-ZWKOTPCHSA-N 0 0 441.405 4.264 50 0 IIAARN COc1ccc2c(c1)-c1c(sn(-c3ccc(S(N)(=O)=O)cc3)c1=S)C(C)(C)N2 ZINC000008994899 569495525 /nfs/dbraw/zinc/49/55/25/569495525.db2.gz TXHSNPJMWWYVSB-UHFFFAOYSA-N 0 0 433.580 4.252 50 0 IIAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3C(=O)N2C)cc1 ZINC000040266160 569497178 /nfs/dbraw/zinc/49/71/78/569497178.db2.gz DSFQINVELSFCKY-ZEQRLZLVSA-N 0 0 443.503 4.203 50 0 IIAARN C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056207 569499001 /nfs/dbraw/zinc/49/90/01/569499001.db2.gz SCTFVMJUUFGVKB-INIZCTEOSA-N 0 0 447.520 4.066 50 0 IIAARN COc1ccc(OCc2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)n2C)cc1 ZINC000009056323 569499026 /nfs/dbraw/zinc/49/90/26/569499026.db2.gz IGFXXCSQHJXTSO-UHFFFAOYSA-N 0 0 426.542 4.131 50 0 IIAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4s3)cc1)C2=O ZINC000009056621 569499115 /nfs/dbraw/zinc/49/91/15/569499115.db2.gz UKDRQTAQYZZASF-OYLFLEFRSA-N 0 0 448.548 4.403 50 0 IIAARN O=C(Nc1ccc2c3c(cccc31)CC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009069253 569499984 /nfs/dbraw/zinc/49/99/84/569499984.db2.gz MQFRNQJJBMRWQQ-OAQYLSRUSA-N 0 0 440.952 4.384 50 0 IIAARN CC(=O)[C@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009086408 569500592 /nfs/dbraw/zinc/50/05/92/569500592.db2.gz RQHUNEUQRSPJPB-HQQJGFCBSA-N 0 0 434.495 4.249 50 0 IIAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)C1 ZINC000245245329 569501170 /nfs/dbraw/zinc/50/11/70/569501170.db2.gz FKMPIXUZJPDRMJ-JZXOWHBKSA-N 0 0 437.519 4.145 50 0 IIAARN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(Cl)cc1 ZINC000009096288 569501464 /nfs/dbraw/zinc/50/14/64/569501464.db2.gz IYCJUGAWMOISEY-UHFFFAOYSA-N 0 0 444.940 4.144 50 0 IIAARN CCCC[C@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450334 569506292 /nfs/dbraw/zinc/50/62/92/569506292.db2.gz ZYEKUXZJDLAOKA-AWEZNQCLSA-N 0 0 445.423 4.243 50 0 IIAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000040400285 569501605 /nfs/dbraw/zinc/50/16/05/569501605.db2.gz WGBXABYTGCMHQL-PMACEKPBSA-N 0 0 444.959 4.129 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009114690 569502613 /nfs/dbraw/zinc/50/26/13/569502613.db2.gz MLNXTNOMXFITAC-GOSISDBHSA-N 0 0 437.521 4.354 50 0 IIAARN CSc1ccc(CCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)cc1 ZINC000009115146 569502718 /nfs/dbraw/zinc/50/27/18/569502718.db2.gz CZOSBTZHXHZYKV-UHFFFAOYSA-N 0 0 428.579 4.314 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1OC ZINC000009115539 569502730 /nfs/dbraw/zinc/50/27/30/569502730.db2.gz MJFKLUUUTGZMKA-SSEXGKCCSA-N 0 0 447.940 4.231 50 0 IIAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5cccs5)C4)sc3n2)cc1 ZINC000009117520 569503156 /nfs/dbraw/zinc/50/31/56/569503156.db2.gz SOIXXBRCMCGNKI-KRWDZBQOSA-N 0 0 437.594 4.361 50 0 IIAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NCc1ccccc1 ZINC000009118442 569503306 /nfs/dbraw/zinc/50/33/06/569503306.db2.gz OHWIWGSTKWFSBC-UHFFFAOYSA-N 0 0 435.593 4.452 50 0 IIAARN CC1CCN(C(=O)Cn2cc(SCC(=O)NCCc3ccccc3)c3ccccc32)CC1 ZINC000009118520 569503390 /nfs/dbraw/zinc/50/33/90/569503390.db2.gz OABLULLABHJFHM-UHFFFAOYSA-N 0 0 449.620 4.351 50 0 IIAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2)C(C(=O)OC)=C1C ZINC000245325472 569503457 /nfs/dbraw/zinc/50/34/57/569503457.db2.gz ABMGCTMZBGNOHT-JAXLGGSGSA-N 0 0 449.576 4.127 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(Br)o2)cs1 ZINC000009119750 569503621 /nfs/dbraw/zinc/50/36/21/569503621.db2.gz QZOIREJIHMDWJM-UHFFFAOYSA-N 0 0 435.299 4.345 50 0 IIAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(C)o1 ZINC000009120180 569503755 /nfs/dbraw/zinc/50/37/55/569503755.db2.gz KBJHVRUMMAZVCF-QGZVFWFLSA-N 0 0 429.369 4.405 50 0 IIAARN CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000245330065 569504025 /nfs/dbraw/zinc/50/40/25/569504025.db2.gz WUMWIJAUPGVCBR-NPPFBWRTSA-N 0 0 448.604 4.121 50 0 IIAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nc(C)no1 ZINC000069385687 569504143 /nfs/dbraw/zinc/50/41/43/569504143.db2.gz FHQZZLBNJMILDO-UHFFFAOYSA-N 0 0 437.525 4.154 50 0 IIAARN Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009124330 569504300 /nfs/dbraw/zinc/50/43/00/569504300.db2.gz BUAZOWXOBHCXBR-UHFFFAOYSA-N 0 0 432.911 4.452 50 0 IIAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)NC[C@H]1CCCO1 ZINC000009127698 569505250 /nfs/dbraw/zinc/50/52/50/569505250.db2.gz BDQSZCQEZHKIMO-DOTOQJQBSA-N 0 0 434.631 4.211 50 0 IIAARN COc1ccc(-c2c(NC(=O)CN3CCC[C@@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129555 569505752 /nfs/dbraw/zinc/50/57/52/569505752.db2.gz RVELSBJYJSGGRJ-MRXNPFEDSA-N 0 0 436.508 4.148 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccccc2)=N3)c1 ZINC000040450997 569506448 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COc1ccc(-c2nc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cs2)cc1 ZINC000078535119 569586668 /nfs/dbraw/zinc/58/66/68/569586668.db2.gz NLCJGWCWJHPLAJ-UHFFFAOYSA-N 0 0 449.363 4.483 50 0 IIAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034671928 569587537 /nfs/dbraw/zinc/58/75/37/569587537.db2.gz BZBNNERKLGKJOT-UHFFFAOYSA-N 0 0 446.473 4.192 50 0 IIAARN COc1ccc(N2CC(=O)C(c3nc(-c4cccc(Cl)c4)cs3)=C2N)cc1OC ZINC000034769908 569587643 /nfs/dbraw/zinc/58/76/43/569587643.db2.gz PNZMCJRFEHPTID-UHFFFAOYSA-N 0 0 427.913 4.197 50 0 IIAARN CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000000647047 193870623 /nfs/dbraw/zinc/87/06/23/193870623.db2.gz VJIMJFPHNNVSPO-GXTWGEPZSA-N 0 0 431.256 4.444 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000000658226 193875631 /nfs/dbraw/zinc/87/56/31/193875631.db2.gz ADVSVHPWZWWPDZ-UHFFFAOYSA-N 0 0 434.989 4.288 50 0 IIAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1I ZINC000000655875 193874595 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CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)cc1OC ZINC000032984088 520997468 /nfs/dbraw/zinc/99/74/68/520997468.db2.gz YUUCZCKOHDBZFJ-ZMOGYAJESA-N 0 0 444.487 4.396 50 0 IIAARN CCN(CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)c1cccc(C)c1 ZINC000021163743 521014194 /nfs/dbraw/zinc/01/41/94/521014194.db2.gz NFQVSURIQUKNBD-UHFFFAOYSA-N 0 0 437.613 4.249 50 0 IIAARN CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)nn2)CC1 ZINC000020554819 521036054 /nfs/dbraw/zinc/03/60/54/521036054.db2.gz KDIAZHDKCXBKKU-UHFFFAOYSA-N 0 0 426.517 4.320 50 0 IIAARN CCC(=O)N(CC)Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2 ZINC000035887382 521087109 /nfs/dbraw/zinc/08/71/09/521087109.db2.gz XADIOUVJUJIURG-UHFFFAOYSA-N 0 0 438.522 4.467 50 0 IIAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(CC(C)C)nn(-c3cccc(C)c3)c2CC)C1 ZINC000036017658 521108399 /nfs/dbraw/zinc/10/83/99/521108399.db2.gz RJDKUPAESAYIOQ-LJQANCHMSA-N 0 0 425.573 4.357 50 0 IIAARN CCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1S(=O)(=O)N(CC)CC ZINC000012785869 521120783 /nfs/dbraw/zinc/12/07/83/521120783.db2.gz AJKMHZDRKNXOHJ-UHFFFAOYSA-N 0 0 436.599 4.308 50 0 IIAARN CCOc1ccc(OCC)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000012825063 521167811 /nfs/dbraw/zinc/16/78/11/521167811.db2.gz LPWJRGLBOGFAEN-CQSZACIVSA-N 0 0 441.553 4.019 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(CSC)o2)C1 ZINC000015072385 521180368 /nfs/dbraw/zinc/18/03/68/521180368.db2.gz FIJRXKCFNSNZQI-JOCHJYFZSA-N 0 0 437.508 4.449 50 0 IIAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000012192064 521182503 /nfs/dbraw/zinc/18/25/03/521182503.db2.gz NJCMXPDQMOIYGI-RUZDIDTESA-N 0 0 425.525 4.040 50 0 IIAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1csc(-c2ccco2)n1 ZINC000012908591 521190434 /nfs/dbraw/zinc/19/04/34/521190434.db2.gz CJTOUGQBPOVOSD-UHFFFAOYSA-N 0 0 449.554 4.085 50 0 IIAARN CCCCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 ZINC000012237774 521279899 /nfs/dbraw/zinc/27/98/99/521279899.db2.gz VOSULUVSKNWDSU-UHFFFAOYSA-N 0 0 429.524 4.180 50 0 IIAARN CCCCc1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)n2CCCOC)cc1 ZINC000012421606 521284241 /nfs/dbraw/zinc/28/42/41/521284241.db2.gz CGHMDSAYYKKEAU-UHFFFAOYSA-N 0 0 432.524 4.281 50 0 IIAARN CCOc1ccc2nc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000012812801 521302884 /nfs/dbraw/zinc/30/28/84/521302884.db2.gz WTKKKKNVPITFBG-UHFFFAOYSA-N 0 0 427.570 4.356 50 0 IIAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000035912769 521312410 /nfs/dbraw/zinc/31/24/10/521312410.db2.gz PIFJDBHOGGTZNC-UHFFFAOYSA-N 0 0 434.588 4.161 50 0 IIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000012764920 521325061 /nfs/dbraw/zinc/32/50/61/521325061.db2.gz UFHVMNYVXFDAJW-UHFFFAOYSA-N 0 0 439.537 4.004 50 0 IIAARN CCCc1cc(C(=O)N2CCC[C@@](Cc3cccc(Cl)c3)(C(=O)OCC)C2)n(C)n1 ZINC000012573682 521352489 /nfs/dbraw/zinc/35/24/89/521352489.db2.gz ABAHLQFFFXVQLD-QHCPKHFHSA-N 0 0 431.964 4.054 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(OC)ccc2OC)C1 ZINC000012712879 521355263 /nfs/dbraw/zinc/35/52/63/521355263.db2.gz WUEVRZMKQGEKGY-DEOSSOPVSA-N 0 0 447.478 4.010 50 0 IIAARN CCCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022615684 521356536 /nfs/dbraw/zinc/35/65/36/521356536.db2.gz MGQFTRDYBJABRY-MRXNPFEDSA-N 0 0 426.542 4.070 50 0 IIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000020507236 521373722 /nfs/dbraw/zinc/37/37/22/521373722.db2.gz HESXUVBANNOGHZ-HZPDHXFCSA-N 0 0 446.569 4.038 50 0 IIAARN CCCCn1c2nnc(CCC(=O)Nc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000035528715 521379288 /nfs/dbraw/zinc/37/92/88/521379288.db2.gz XMDVQFAOTSGJQI-UHFFFAOYSA-N 0 0 429.933 4.131 50 0 IIAARN CCCCn1c2nnc(SCC(=O)Nc3ccccc3CC)n2c2ccsc2c1=O ZINC000035531936 521380120 /nfs/dbraw/zinc/38/01/20/521380120.db2.gz YMWCEFIWWHQJIG-UHFFFAOYSA-N 0 0 441.582 4.199 50 0 IIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 ZINC000021726668 521417076 /nfs/dbraw/zinc/41/70/76/521417076.db2.gz FADMVJRKMANWKI-FQEVSTJZSA-N 0 0 440.507 4.214 50 0 IIAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)C1CCCC1 ZINC000036030116 521431859 /nfs/dbraw/zinc/43/18/59/521431859.db2.gz HNVLHKDKHBIEFT-UHFFFAOYSA-N 0 0 431.602 4.052 50 0 IIAARN CCN(c1ccc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000012589018 521490497 /nfs/dbraw/zinc/49/04/97/521490497.db2.gz KWTZOCDSMZXBIG-LJQANCHMSA-N 0 0 432.611 4.453 50 0 IIAARN CCOc1ccccc1N1CCN(Cc2nc(-c3cccc(OC)c3OC)oc2C)CC1 ZINC000020454421 521518184 /nfs/dbraw/zinc/51/81/84/521518184.db2.gz FLPDRNQSBOOQRF-UHFFFAOYSA-N 0 0 437.540 4.388 50 0 IIAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC ZINC000035765235 521532615 /nfs/dbraw/zinc/53/26/15/521532615.db2.gz CRWZNUXJULJNNQ-UHFFFAOYSA-N 0 0 434.536 4.412 50 0 IIAARN CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000017101390 521535438 /nfs/dbraw/zinc/53/54/38/521535438.db2.gz BHBIYBDSWCBWHG-MSRUFZRRSA-N 0 0 437.495 4.434 50 0 IIAARN CCOc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)NCc2cccc(OC)c2)C1 ZINC000035526828 521538737 /nfs/dbraw/zinc/53/87/37/521538737.db2.gz CQHOVVYCYMLQQE-DEOSSOPVSA-N 0 0 425.529 4.044 50 0 IIAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)c3ccco3)cc2)C(C(=O)OCC(C)C)=C1C ZINC000016609178 521541791 /nfs/dbraw/zinc/54/17/91/521541791.db2.gz OESJUGUWFFJSAW-HXUWFJFHSA-N 0 0 441.553 4.256 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000020445761 521573299 /nfs/dbraw/zinc/57/32/99/521573299.db2.gz DVYIZWGHIZKEKR-VQTJNVASSA-N 0 0 425.533 4.384 50 0 IIAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OCC)cc1)S2 ZINC000020445796 521573529 /nfs/dbraw/zinc/57/35/29/521573529.db2.gz DYWQDXHIUFSLRM-PMACEKPBSA-N 0 0 441.532 4.166 50 0 IIAARN CCCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000012633026 521635479 /nfs/dbraw/zinc/63/54/79/521635479.db2.gz IPIIBGYZVKUYSE-CYBMUJFWSA-N 0 0 443.960 4.227 50 0 IIAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1C ZINC000023434952 521636734 /nfs/dbraw/zinc/63/67/34/521636734.db2.gz JBFHAQJFRVLCKG-UHFFFAOYSA-N 0 0 445.610 4.068 50 0 IIAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1 ZINC000012793624 521661588 /nfs/dbraw/zinc/66/15/88/521661588.db2.gz JBHKPQITLHRCPA-UHFFFAOYSA-N 0 0 445.566 4.089 50 0 IIAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 ZINC000021128361 521666736 /nfs/dbraw/zinc/66/67/36/521666736.db2.gz JNRBLSPTAVNCQC-MRXNPFEDSA-N 0 0 448.036 4.358 50 0 IIAARN CCS(=O)(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035867795 521667852 /nfs/dbraw/zinc/66/78/52/521667852.db2.gz HLNSEQWFGCZQOD-UHFFFAOYSA-N 0 0 448.658 4.090 50 0 IIAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 ZINC000021128364 521669204 /nfs/dbraw/zinc/66/92/04/521669204.db2.gz JNRBLSPTAVNCQC-INIZCTEOSA-N 0 0 448.036 4.358 50 0 IIAARN CCOCCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526829 521706169 /nfs/dbraw/zinc/70/61/69/521706169.db2.gz HZZSYRAEGSUYKC-XMMPIXPASA-N 0 0 429.561 4.023 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C ZINC000012825401 521750494 /nfs/dbraw/zinc/75/04/94/521750494.db2.gz JEOADBQTACGTIX-AWEZNQCLSA-N 0 0 443.427 4.157 50 0 IIAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2cccc(F)c2)c(C)n1C ZINC000036017659 521751749 /nfs/dbraw/zinc/75/17/49/521751749.db2.gz HSKAGCGPPYRWKA-MRXNPFEDSA-N 0 0 440.471 4.074 50 0 IIAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2cccs2)c1C ZINC000021480265 521751972 /nfs/dbraw/zinc/75/19/72/521751972.db2.gz CYUSNPYSRWCCQL-AWEZNQCLSA-N 0 0 439.489 4.139 50 0 IIAARN CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000035535275 521755433 /nfs/dbraw/zinc/75/54/33/521755433.db2.gz BVXUJFMIWDQJPH-UHFFFAOYSA-N 0 0 445.906 4.482 50 0 IIAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(OCn3cc(Cl)cn3)c1)CCC2 ZINC000020606050 521786432 /nfs/dbraw/zinc/78/64/32/521786432.db2.gz IZNXYVXMVCKUHC-UHFFFAOYSA-N 0 0 431.901 4.162 50 0 IIAARN CCc1cccc2sc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 ZINC000022714654 521802260 /nfs/dbraw/zinc/80/22/60/521802260.db2.gz NHGBKFRUPXFSAF-AWEZNQCLSA-N 0 0 435.596 4.102 50 0 IIAARN COc1c(C)cccc1C(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000012651394 521805145 /nfs/dbraw/zinc/80/51/45/521805145.db2.gz YEDHSGGTCQPKKS-UHFFFAOYSA-N 0 0 429.948 4.214 50 0 IIAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1c(F)cccc1Cl)n2C1CC1 ZINC000012445614 521828734 /nfs/dbraw/zinc/82/87/34/521828734.db2.gz QYLUIYFWWMDXNY-UHFFFAOYSA-N 0 0 433.892 4.306 50 0 IIAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000001073052 521837378 /nfs/dbraw/zinc/83/73/78/521837378.db2.gz VQNJITVVHSHSBM-UHFFFAOYSA-N 0 0 429.369 4.130 50 0 IIAARN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc(OC)c1OC ZINC000012248659 521908198 /nfs/dbraw/zinc/90/81/98/521908198.db2.gz WBEHQUBIAHQQRJ-UHFFFAOYSA-N 0 0 435.889 4.147 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(NCC(C)(C)C)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014531433 521921058 /nfs/dbraw/zinc/92/10/58/521921058.db2.gz KHRQAABRMPHXEJ-WBVHZDCISA-N 0 0 444.576 4.445 50 0 IIAARN COc1cc(/C=C/C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc(OC)c1OC ZINC000035550819 521933960 /nfs/dbraw/zinc/93/39/60/521933960.db2.gz XJXPVZMLVPTLJB-XTTMKINYSA-N 0 0 434.529 4.273 50 0 IIAARN COc1cc(Br)c(OC)c(C(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000012744656 522023234 /nfs/dbraw/zinc/02/32/34/522023234.db2.gz KIIRYUSFSKWXLA-UHFFFAOYSA-N 0 0 440.363 4.161 50 0 IIAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012781314 522048139 /nfs/dbraw/zinc/04/81/39/522048139.db2.gz JRPIGDKWZRGEMK-KRWDZBQOSA-N 0 0 436.508 4.436 50 0 IIAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2cccc(OC)c2)n1 ZINC000036002883 522057362 /nfs/dbraw/zinc/05/73/62/522057362.db2.gz CTYQMSYWLINYQY-KRWDZBQOSA-N 0 0 444.539 4.180 50 0 IIAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000012322599 522080483 /nfs/dbraw/zinc/08/04/83/522080483.db2.gz UIMYPFHYRRTXJH-UHFFFAOYSA-N 0 0 430.913 4.430 50 0 IIAARN COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Cl)c1OC ZINC000022914769 522086975 /nfs/dbraw/zinc/08/69/75/522086975.db2.gz DZLHGDOEDLJFKG-UHFFFAOYSA-N 0 0 428.838 4.338 50 0 IIAARN COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031742 522112232 /nfs/dbraw/zinc/11/22/32/522112232.db2.gz NAWKRXIVDLRPOI-MRXNPFEDSA-N 0 0 427.460 4.489 50 0 IIAARN COc1cc(C(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc(OC)c1OC ZINC000012799399 522141081 /nfs/dbraw/zinc/14/10/81/522141081.db2.gz VTOOJBITGDLWSY-OAHLLOKOSA-N 0 0 446.503 4.041 50 0 IIAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)cc2)no1 ZINC000035552799 522146633 /nfs/dbraw/zinc/14/66/33/522146633.db2.gz IMQIWKHYWGCXIV-UHFFFAOYSA-N 0 0 441.329 4.024 50 0 IIAARN CC[C@@H](C)NC(=O)Cn1c2ccc(C)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035371946 522174962 /nfs/dbraw/zinc/17/49/62/522174962.db2.gz CWNRXUVBTWMEAB-MRXNPFEDSA-N 0 0 436.943 4.276 50 0 IIAARN COC(=O)c1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c1 ZINC000014989566 522197299 /nfs/dbraw/zinc/19/72/99/522197299.db2.gz GPKHBUDYLXHQEU-OAQYLSRUSA-N 0 0 429.472 4.076 50 0 IIAARN CN(C)c1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1 ZINC000035553122 522257086 /nfs/dbraw/zinc/25/70/86/522257086.db2.gz SQJXHODVTWIUTD-UHFFFAOYSA-N 0 0 431.540 4.033 50 0 IIAARN COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000035684894 522279908 /nfs/dbraw/zinc/27/99/08/522279908.db2.gz BRINFHDYPBDHMD-QGZVFWFLSA-N 0 0 438.871 4.470 50 0 IIAARN CN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749028 522456371 /nfs/dbraw/zinc/45/63/71/522456371.db2.gz WADKBZLTRGANNW-QGZVFWFLSA-N 0 0 425.838 4.078 50 0 IIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012764976 522498009 /nfs/dbraw/zinc/49/80/09/522498009.db2.gz QELNELJKEMPVCW-UHFFFAOYSA-N 0 0 443.334 4.379 50 0 IIAARN COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1COc1ccc(C(=O)NC(C)C)cc1 ZINC000033310968 522544329 /nfs/dbraw/zinc/54/43/29/522544329.db2.gz UBVNDPBJKFGFPY-SFHVURJKSA-N 0 0 430.932 4.170 50 0 IIAARN COc1cc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc(OC)c1 ZINC000012886979 522671433 /nfs/dbraw/zinc/67/14/33/522671433.db2.gz COXWFSDMHMKHLM-UHFFFAOYSA-N 0 0 437.492 4.403 50 0 biogenic IIAARN CN(CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1Br ZINC000012746833 522677231 /nfs/dbraw/zinc/67/72/31/522677231.db2.gz QXIKQQGEFJWJJM-UHFFFAOYSA-N 0 0 442.716 4.141 50 0 IIAARN COc1cc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc(OC)c1OC ZINC000022502644 522703992 /nfs/dbraw/zinc/70/39/92/522703992.db2.gz CEPSQOXRIDQWRZ-UHFFFAOYSA-N 0 0 427.501 4.292 50 0 IIAARN COc1cc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020531017 522714381 /nfs/dbraw/zinc/71/43/81/522714381.db2.gz SEJZGVFYSHZPDL-QFIPXVFZSA-N 0 0 432.476 4.048 50 0 IIAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)C(C)(C)C)cc1OC ZINC000012175171 522727796 /nfs/dbraw/zinc/72/77/96/522727796.db2.gz BWVWSVACSVPUBH-UHFFFAOYSA-N 0 0 433.888 4.382 50 0 IIAARN CCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2cc3sccc3n21 ZINC000020510732 522782993 /nfs/dbraw/zinc/78/29/93/522782993.db2.gz GFIXPQXECUUJPC-UHFFFAOYSA-N 0 0 428.539 4.254 50 0 IIAARN CCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000021767671 522832234 /nfs/dbraw/zinc/83/22/34/522832234.db2.gz CILPYJSKSHYCAY-UHFFFAOYSA-N 0 0 439.537 4.307 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)c3ccc(C)cc3)s2)c1 ZINC000035912980 522859659 /nfs/dbraw/zinc/85/96/59/522859659.db2.gz QCGKTIZVKHAMNR-UHFFFAOYSA-N 0 0 429.523 4.091 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000012554823 522869180 /nfs/dbraw/zinc/86/91/80/522869180.db2.gz BEFDQNPKEXBKJJ-LJQANCHMSA-N 0 0 447.919 4.320 50 0 IIAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000012761789 522870731 /nfs/dbraw/zinc/87/07/31/522870731.db2.gz LNGIZCYKJOGQCI-GOSISDBHSA-N 0 0 434.370 4.152 50 0 IIAARN CC[C@H](Sc1nnc2c3ccccc3nc(-c3ccc(OC)cc3)n12)C(=O)NC(C)C ZINC000021727125 522928826 /nfs/dbraw/zinc/92/88/26/522928826.db2.gz QWGQQJCMWJUTFL-IBGZPJMESA-N 0 0 435.553 4.348 50 0 IIAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1O ZINC000020892737 522932107 /nfs/dbraw/zinc/93/21/07/522932107.db2.gz GRQDUBANQJYXFJ-FQEVSTJZSA-N 0 0 445.928 4.332 50 0 IIAARN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807524 522936256 /nfs/dbraw/zinc/93/62/56/522936256.db2.gz BKGNLSHFTSZWQC-FOVJLYNBSA-N 0 0 444.959 4.361 50 0 IIAARN CN(CCc1ccccn1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000022147806 522962307 /nfs/dbraw/zinc/96/23/07/522962307.db2.gz IKGLOPMGYXDTBL-MJGOQNOKSA-N 0 0 447.436 4.392 50 0 IIAARN COc1cc([C@H]2OC(c3cc(C4CC4)nc4ccccc43)=NN2C(C)=O)ccc1OC(C)=O ZINC000021941290 522965401 /nfs/dbraw/zinc/96/54/01/522965401.db2.gz QIAQPYHTXKIXDY-RUZDIDTESA-N 0 0 445.475 4.285 50 0 IIAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1OC(C)C ZINC000020745210 522967109 /nfs/dbraw/zinc/96/71/09/522967109.db2.gz PPDQNGQMFZQQOZ-LJQANCHMSA-N 0 0 425.514 4.191 50 0 IIAARN COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc(OC)c1OC ZINC000012344861 522969833 /nfs/dbraw/zinc/96/98/33/522969833.db2.gz ZSYSMFFESHXATP-NRFANRHFSA-N 0 0 425.460 4.290 50 0 IIAARN COc1cc2[nH]c3c(ncn(CCC(=O)Nc4ccc(C(C)C)cc4)c3=O)c2cc1OC ZINC000035424107 522988547 /nfs/dbraw/zinc/98/85/47/522988547.db2.gz RIRPVONRLZPLJB-UHFFFAOYSA-N 0 0 434.496 4.047 50 0 IIAARN COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3cc(Br)ccc31)CC2 ZINC000012664593 523027745 /nfs/dbraw/zinc/02/77/45/523027745.db2.gz NQYJFSZBWHZIFF-UHFFFAOYSA-N 0 0 443.341 4.396 50 0 biogenic IIAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1)N(Cc1ccc(F)cc1)CC2 ZINC000036040793 523037348 /nfs/dbraw/zinc/03/73/48/523037348.db2.gz YSNFANWARQAMRM-HSZRJFAPSA-N 0 0 434.511 4.372 50 0 IIAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nc(-c3cccs3)oc1=O)CC2 ZINC000021865936 523043177 /nfs/dbraw/zinc/04/31/77/523043177.db2.gz ODKZIIMUAIMXSG-JOCHJYFZSA-N 0 0 449.532 4.187 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000016085568 523052252 /nfs/dbraw/zinc/05/22/52/523052252.db2.gz BTUOMGWLXYYMGX-JOCHJYFZSA-N 0 0 429.563 4.410 50 0 IIAARN CCc1sc(-c2nnc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)o2)cc1C ZINC000012802047 523064492 /nfs/dbraw/zinc/06/44/92/523064492.db2.gz MWKIIFAPRUXFMD-UHFFFAOYSA-N 0 0 428.533 4.333 50 0 IIAARN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)cc2O)cc1 ZINC000020591197 523075073 /nfs/dbraw/zinc/07/50/73/523075073.db2.gz DZIPXANSGQRFCA-IAGOWNOFSA-N 0 0 437.540 4.254 50 0 IIAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCSCC3)cc(NC(C)=O)c21 ZINC000012210068 523084205 /nfs/dbraw/zinc/08/42/05/523084205.db2.gz VOXGWRVBBICOMO-UHFFFAOYSA-N 0 0 426.517 4.010 50 0 IIAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000020761470 523103645 /nfs/dbraw/zinc/10/36/45/523103645.db2.gz UYUVWVGTZLEORP-UHFFFAOYSA-N 0 0 434.492 4.110 50 0 IIAARN CCn1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)c(C)c1C(=O)OC ZINC000036025600 523122208 /nfs/dbraw/zinc/12/22/08/523122208.db2.gz ZWYSEHXPZRYSSG-QGZVFWFLSA-N 0 0 430.520 4.307 50 0 IIAARN CCn1c(C)c(C(=O)CN(C(=O)c2ccc(OC)cc2)C(C)(C)C)c(C)c1C(=O)OC ZINC000036018701 523123177 /nfs/dbraw/zinc/12/31/77/523123177.db2.gz BSGMVOSTBHPDKK-UHFFFAOYSA-N 0 0 428.529 4.044 50 0 IIAARN CCn1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(OC)cc2)C(C)C)c(C)c1C(=O)OC ZINC000036025240 523123200 /nfs/dbraw/zinc/12/32/00/523123200.db2.gz XTTNVJDBIWNVGD-QGZVFWFLSA-N 0 0 428.529 4.042 50 0 IIAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cccs4)c3C3CC3)n2)cc1F ZINC000012036554 523139596 /nfs/dbraw/zinc/13/95/96/523139596.db2.gz GQOXILHXCAEMEJ-UHFFFAOYSA-N 0 0 449.511 4.346 50 0 IIAARN CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000022697056 523141400 /nfs/dbraw/zinc/14/14/00/523141400.db2.gz PFFXZPUXQZAFKO-DEOSSOPVSA-N 0 0 437.971 4.447 50 0 IIAARN COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000016488627 523151126 /nfs/dbraw/zinc/15/11/26/523151126.db2.gz ZIFYWRZBGJRZKQ-GOSISDBHSA-N 0 0 438.487 4.297 50 0 IIAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(Br)cc2)cc1 ZINC000035684706 523152666 /nfs/dbraw/zinc/15/26/66/523152666.db2.gz XFSNCYVTEKPBKE-QGZVFWFLSA-N 0 0 441.285 4.493 50 0 IIAARN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000035843588 523236151 /nfs/dbraw/zinc/23/61/51/523236151.db2.gz IVFNBPRRDYECGJ-QFIPXVFZSA-N 0 0 438.515 4.217 50 0 IIAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Br)c(Br)s1 ZINC000012747264 523280417 /nfs/dbraw/zinc/28/04/17/523280417.db2.gz VVIXWNGFEBPPRN-UHFFFAOYSA-N 0 0 433.121 4.274 50 0 IIAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc1 ZINC000012789410 523290688 /nfs/dbraw/zinc/29/06/88/523290688.db2.gz DVYFDOYUDYMICZ-UHFFFAOYSA-N 0 0 447.322 4.010 50 0 IIAARN CN(Cc1ccccc1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000012536599 523330936 /nfs/dbraw/zinc/33/09/36/523330936.db2.gz ZAUKWTQMZIOEDZ-UHFFFAOYSA-N 0 0 441.988 4.272 50 0 IIAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021892621 523335844 /nfs/dbraw/zinc/33/58/44/523335844.db2.gz IXUGEOVVWXMNKC-XMMPIXPASA-N 0 0 435.524 4.146 50 0 IIAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000012590370 523341148 /nfs/dbraw/zinc/34/11/48/523341148.db2.gz GHWQVNDEHQSCJM-UHFFFAOYSA-N 0 0 433.331 4.078 50 0 IIAARN COc1ccc(/C=C(\NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCCC2)cc1OC ZINC000012437035 523381715 /nfs/dbraw/zinc/38/17/15/523381715.db2.gz CJGBVICKZACMST-PGMHBOJBSA-N 0 0 436.552 4.395 50 0 IIAARN COc1ccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1OCC(C)C ZINC000012803836 523420038 /nfs/dbraw/zinc/42/00/38/523420038.db2.gz PLIILENZZBAPRT-MOSHPQCFSA-N 0 0 434.492 4.201 50 0 IIAARN COc1ccc(/C=C\C(=O)N2CCN(c3nc4cc(C)cc(C)c4s3)CC2)cc1OC ZINC000035590003 523430832 /nfs/dbraw/zinc/43/08/32/523430832.db2.gz XQFZWFWKBTYATB-VURMDHGXSA-N 0 0 437.565 4.292 50 0 IIAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012874640 523444576 /nfs/dbraw/zinc/44/45/76/523444576.db2.gz JKVWFYXWUNKHLH-NRFANRHFSA-N 0 0 446.638 4.391 50 0 IIAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)ccc21 ZINC000015864957 523496232 /nfs/dbraw/zinc/49/62/32/523496232.db2.gz MSYQKHQCMYUIKU-HXUWFJFHSA-N 0 0 445.629 4.291 50 0 IIAARN COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2sccc2C)cc1OC ZINC000033691744 523588588 /nfs/dbraw/zinc/58/85/88/523588588.db2.gz UGEAYSNDONWPKX-UHFFFAOYSA-N 0 0 439.489 4.366 50 0 IIAARN COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320608 523592595 /nfs/dbraw/zinc/59/25/95/523592595.db2.gz SLNPHAUXSPTELE-DEOSSOPVSA-N 0 0 439.870 4.495 50 0 IIAARN COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000012207208 523627727 /nfs/dbraw/zinc/62/77/27/523627727.db2.gz PYOIGEBBNDEDJA-UHFFFAOYSA-N 0 0 449.511 4.022 50 0 IIAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)c(F)c3)C2)c2ccccc12 ZINC000012488810 523630994 /nfs/dbraw/zinc/63/09/94/523630994.db2.gz NGYBZSOAOJXNHG-LJQANCHMSA-N 0 0 434.511 4.465 50 0 IIAARN CN(c1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3F)n2)cc1)S(C)(=O)=O ZINC000012782876 523633695 /nfs/dbraw/zinc/63/36/95/523633695.db2.gz AJFCQUIJTAYHIW-UHFFFAOYSA-N 0 0 439.921 4.251 50 0 IIAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1cccc(C)c1 ZINC000035316004 523645730 /nfs/dbraw/zinc/64/57/30/523645730.db2.gz HHGKLFLEALFTER-UHFFFAOYSA-N 0 0 449.551 4.340 50 0 IIAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)C1CCCC1 ZINC000035948497 523655512 /nfs/dbraw/zinc/65/55/12/523655512.db2.gz UPAMPSZRMMXLBA-SFHVURJKSA-N 0 0 445.610 4.153 50 0 IIAARN COc1ccc(C(=O)N2CCSc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000032997877 523658253 /nfs/dbraw/zinc/65/82/53/523658253.db2.gz FPFDYLWWHZFGSD-INIZCTEOSA-N 0 0 446.594 4.011 50 0 IIAARN COc1ccc(C(=O)NCC(=O)N2N=C(c3cccs3)C[C@H]2c2sccc2C)cc1 ZINC000035961819 523686142 /nfs/dbraw/zinc/68/61/42/523686142.db2.gz RYBSFRJTPAVXSV-SFHVURJKSA-N 0 0 439.562 4.234 50 0 IIAARN COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020614642 523706470 /nfs/dbraw/zinc/70/64/70/523706470.db2.gz YUNYKZFLBLCPGE-NRFANRHFSA-N 0 0 445.562 4.019 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000032995757 523713882 /nfs/dbraw/zinc/71/38/82/523713882.db2.gz PXFPWQIVLGWVBV-UHFFFAOYSA-N 0 0 449.536 4.416 50 0 IIAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)COc1ccc(C)cc1 ZINC000032995778 523714512 /nfs/dbraw/zinc/71/45/12/523714512.db2.gz BXQPUHCAJOLEET-UHFFFAOYSA-N 0 0 433.537 4.472 50 0 IIAARN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033068068 523749921 /nfs/dbraw/zinc/74/99/21/523749921.db2.gz YVIPQDYAASMKNW-UHFFFAOYSA-N 0 0 429.476 4.151 50 0 IIAARN COCCN(Cc1ccccc1)C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012765816 523753299 /nfs/dbraw/zinc/75/32/99/523753299.db2.gz WQQMHOCUXKVMLR-UHFFFAOYSA-N 0 0 447.560 4.109 50 0 IIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@@H](C)O3)cc1 ZINC000035909397 523753666 /nfs/dbraw/zinc/75/36/66/523753666.db2.gz VVUJVSDMEPYRFE-QGZVFWFLSA-N 0 0 448.494 4.439 50 0 IIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012919260 523786722 /nfs/dbraw/zinc/78/67/22/523786722.db2.gz UNBLAIREDUFSLL-UHFFFAOYSA-N 0 0 442.537 4.317 50 0 IIAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)=O)cc2)C12CCCCC2 ZINC000020715542 523811143 /nfs/dbraw/zinc/81/11/43/523811143.db2.gz UGRBJFGYIBXUIS-HSZRJFAPSA-N 0 0 434.536 4.417 50 0 IIAARN COc1ccc(C)cc1CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O ZINC000012816086 523814753 /nfs/dbraw/zinc/81/47/53/523814753.db2.gz FNKYKYBUFDVWRC-ZDUSSCGKSA-N 0 0 449.370 4.149 50 0 IIAARN CN(C(=O)CSc1nnnn1-c1cccc(F)c1)C(c1ccccc1)c1ccccc1 ZINC000015521359 523841237 /nfs/dbraw/zinc/84/12/37/523841237.db2.gz SILVADYKNWEFRW-UHFFFAOYSA-N 0 0 433.512 4.142 50 0 IIAARN CCc1ccc(-c2cc(C(=O)Nc3sc(Nc4ccc(C)cc4)nc3C(N)=O)n[nH]2)cc1 ZINC000021943496 523852930 /nfs/dbraw/zinc/85/29/30/523852930.db2.gz ACOWWBUALGKUFW-UHFFFAOYSA-N 0 0 446.536 4.499 50 0 IIAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960682 523875584 /nfs/dbraw/zinc/87/55/84/523875584.db2.gz WZUVTOBDVNXBRV-OAQYLSRUSA-N 0 0 442.947 4.076 50 0 IIAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32C(=O)Nc3ccc(F)cc32)cc1 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Cc1cccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000020937507 524423390 /nfs/dbraw/zinc/42/33/90/524423390.db2.gz BEDRLVNWBPBAAE-LJQANCHMSA-N 0 0 439.581 4.002 50 0 IIAARN Cc1cc(C)cc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)c1 ZINC000021924921 524425938 /nfs/dbraw/zinc/42/59/38/524425938.db2.gz ZCXMWJHTPUYYQG-UHFFFAOYSA-N 0 0 440.551 4.387 50 0 IIAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)o1 ZINC000021858272 524432031 /nfs/dbraw/zinc/43/20/31/524432031.db2.gz QDQUYWYVPKPBJP-SANMLTNESA-N 0 0 427.504 4.274 50 0 IIAARN COc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000018076723 524435664 /nfs/dbraw/zinc/43/56/64/524435664.db2.gz ILFFRTCISFHXLF-UHFFFAOYSA-N 0 0 446.475 4.046 50 0 IIAARN Cc1cc(C)cc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1 ZINC000021885412 524439502 /nfs/dbraw/zinc/43/95/02/524439502.db2.gz ICOJUKKXVOEAAA-UHFFFAOYSA-N 0 0 440.912 4.053 50 0 IIAARN Cc1cc(C)cc(OCCN(C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012792898 524445678 /nfs/dbraw/zinc/44/56/78/524445678.db2.gz RKEWNWZRJNJLPQ-UHFFFAOYSA-N 0 0 428.960 4.346 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1OC ZINC000022492576 524473503 /nfs/dbraw/zinc/47/35/03/524473503.db2.gz ZUUFACLWXIWVFP-UHFFFAOYSA-N 0 0 436.487 4.155 50 0 IIAARN Cc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1C ZINC000021040198 524477740 /nfs/dbraw/zinc/47/77/40/524477740.db2.gz CRSZJSGJXBJTMF-UHFFFAOYSA-N 0 0 431.559 4.117 50 0 IIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)n1 ZINC000021532756 524479343 /nfs/dbraw/zinc/47/93/43/524479343.db2.gz WRINVCZWZJITQT-UHFFFAOYSA-N 0 0 443.473 4.255 50 0 IIAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3cccnc3)CC2)c1 ZINC000021159816 524492533 /nfs/dbraw/zinc/49/25/33/524492533.db2.gz OYQAPNASPPTHDD-UHFFFAOYSA-N 0 0 439.563 4.321 50 0 IIAARN Cc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 ZINC000033266551 524498065 /nfs/dbraw/zinc/49/80/65/524498065.db2.gz WZSOLKGSQDPXPF-UHFFFAOYSA-N 0 0 431.565 4.299 50 0 IIAARN COc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1Cl ZINC000021966947 524500235 /nfs/dbraw/zinc/50/02/35/524500235.db2.gz FDXVESVUFCDZTH-UHFFFAOYSA-N 0 0 438.867 4.396 50 0 IIAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005939 524522262 /nfs/dbraw/zinc/52/22/62/524522262.db2.gz SHFIERGYMBDPEN-QHCPKHFHSA-N 0 0 440.503 4.470 50 0 IIAARN COc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000016954115 524529978 /nfs/dbraw/zinc/52/99/78/524529978.db2.gz DAVPUXSWKWCPBH-UHFFFAOYSA-N 0 0 438.487 4.047 50 0 IIAARN C[C@H]1CN(CC(=O)NCc2csc(Cc3ccccc3)n2)Cc2cc(Cl)ccc2O1 ZINC000012155316 524580198 /nfs/dbraw/zinc/58/01/98/524580198.db2.gz ZAPOYABWZQCZIY-INIZCTEOSA-N 0 0 441.984 4.287 50 0 IIAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)c(OC)c1 ZINC000020722755 524591377 /nfs/dbraw/zinc/59/13/77/524591377.db2.gz LUCUUEZBVASEHY-KRWDZBQOSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000021935956 524607189 /nfs/dbraw/zinc/60/71/89/524607189.db2.gz BRMYYOXNCMFXJA-LIRRHRJNSA-N 0 0 436.537 4.070 50 0 IIAARN COc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000021795350 524610033 /nfs/dbraw/zinc/61/00/33/524610033.db2.gz KIPXEWXUTFQKHR-UHFFFAOYSA-N 0 0 432.528 4.200 50 0 IIAARN Cc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(C)cc4C)c3c2=O)c1 ZINC000022768156 524610876 /nfs/dbraw/zinc/61/08/76/524610876.db2.gz ALOKVGDHYATFOR-UHFFFAOYSA-N 0 0 427.508 4.024 50 0 IIAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1OC ZINC000020745335 524613365 /nfs/dbraw/zinc/61/33/65/524613365.db2.gz WQOFMKCYEFIFDX-MRXNPFEDSA-N 0 0 426.860 4.392 50 0 IIAARN COc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC(F)F ZINC000022753796 524626194 /nfs/dbraw/zinc/62/61/94/524626194.db2.gz WXMHDWCBMNESIO-UHFFFAOYSA-N 0 0 432.217 4.329 50 0 IIAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)c(OC)c1 ZINC000020617146 524628848 /nfs/dbraw/zinc/62/88/48/524628848.db2.gz DDWDGULKBUVQNF-RFBIWTDZSA-N 0 0 445.475 4.130 50 0 IIAARN COc1ccc(NC(=O)c2nc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000021727538 524654646 /nfs/dbraw/zinc/65/46/46/524654646.db2.gz SRUHBRIKIKUFIU-UHFFFAOYSA-N 0 0 443.385 4.080 50 0 IIAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccccc4F)n3c2)c1 ZINC000033284287 524662667 /nfs/dbraw/zinc/66/26/67/524662667.db2.gz CMXCMBUFVVRTTL-UHFFFAOYSA-N 0 0 435.484 4.160 50 0 IIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(Cc3ccsc3)CC2)c1 ZINC000022789395 524663032 /nfs/dbraw/zinc/66/30/32/524663032.db2.gz YQJSSEILRYJMEY-UHFFFAOYSA-N 0 0 448.592 4.065 50 0 IIAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585291 524690272 /nfs/dbraw/zinc/69/02/72/524690272.db2.gz NYBGQLKKXGVXEC-UZLBHIALSA-N 0 0 443.569 4.081 50 0 IIAARN COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1Cl ZINC000012235181 524719377 /nfs/dbraw/zinc/71/93/77/524719377.db2.gz UFCADCDVGPJXGM-UHFFFAOYSA-N 0 0 426.908 4.166 50 0 IIAARN Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312781 524741720 /nfs/dbraw/zinc/74/17/20/524741720.db2.gz OSBJKIOFTNLCMI-HSZRJFAPSA-N 0 0 425.960 4.199 50 0 IIAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000036051762 524761185 /nfs/dbraw/zinc/76/11/85/524761185.db2.gz HSEMQFLCCKCAKH-GOTSBHOMSA-N 0 0 432.495 4.007 50 0 IIAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)c1 ZINC000035398169 524833422 /nfs/dbraw/zinc/83/34/22/524833422.db2.gz BQWDOCYXWXERRQ-HXUWFJFHSA-N 0 0 446.551 4.002 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)c1 ZINC000032985963 524847164 /nfs/dbraw/zinc/84/71/64/524847164.db2.gz UOERCXLHZDYYSO-UHFFFAOYSA-N 0 0 449.536 4.112 50 0 IIAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c1 ZINC000035446872 524857953 /nfs/dbraw/zinc/85/79/53/524857953.db2.gz UBHSRUXNSINXKO-UHFFFAOYSA-N 0 0 448.523 4.452 50 0 biogenic IIAARN Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3cccs3)c3c[nH]c4ccccc43)cnc12 ZINC000017911205 524923613 /nfs/dbraw/zinc/92/36/13/524923613.db2.gz OLTPJLVVLDMQFA-FQEVSTJZSA-N 0 0 442.544 4.196 50 0 IIAARN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385402 524958869 /nfs/dbraw/zinc/95/88/69/524958869.db2.gz LUMUDJPJDPPODR-UHFFFAOYSA-N 0 0 430.464 4.212 50 0 IIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccco1)Cc1cccs1)C2=O ZINC000012848417 524973688 /nfs/dbraw/zinc/97/36/88/524973688.db2.gz DMLOEPDVROPQOW-WAIKUNEKSA-N 0 0 443.569 4.007 50 0 IIAARN Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21 ZINC000015776588 524988028 /nfs/dbraw/zinc/98/80/28/524988028.db2.gz SWGZECOTYHJRJY-UHFFFAOYSA-N 0 0 438.894 4.409 50 0 IIAARN Cc1cc(F)ccc1NC(=O)Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21 ZINC000012445928 524989349 /nfs/dbraw/zinc/98/93/49/524989349.db2.gz HIIUQBVPSRCVGY-UHFFFAOYSA-N 0 0 443.478 4.018 50 0 biogenic,in-vitro IIAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767527 524999962 /nfs/dbraw/zinc/99/99/62/524999962.db2.gz SUELGAONEDRMBC-NRFANRHFSA-N 0 0 430.570 4.274 50 0 IIAARN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000012279677 525006266 /nfs/dbraw/zinc/00/62/66/525006266.db2.gz OGZLTUCJAATVLL-LEWJYISDSA-N 0 0 428.536 4.257 50 0 IIAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000012419092 525013465 /nfs/dbraw/zinc/01/34/65/525013465.db2.gz NSABTWQRSWBEKH-IYBDPMFKSA-N 0 0 430.501 4.236 50 0 IIAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000012920176 525028248 /nfs/dbraw/zinc/02/82/48/525028248.db2.gz QAZSQQJUKPLGHB-UHFFFAOYSA-N 0 0 432.973 4.177 50 0 IIAARN C[C@@H]1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)C[C@H](C)O1 ZINC000022305313 525028905 /nfs/dbraw/zinc/02/89/05/525028905.db2.gz MEJVFRKEYLWQGH-GASCZTMLSA-N 0 0 444.532 4.118 50 0 IIAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000001128470 525048807 /nfs/dbraw/zinc/04/88/07/525048807.db2.gz KTFYKSMICALBQD-UHFFFAOYSA-N 0 0 440.758 4.266 50 0 IIAARN Cc1ccccc1C(=O)Nc1ccc(SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000021797644 525062928 /nfs/dbraw/zinc/06/29/28/525062928.db2.gz YTTJVEMYAAEQQD-UHFFFAOYSA-N 0 0 433.537 4.325 50 0 IIAARN C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)C1=O ZINC000021882983 525066096 /nfs/dbraw/zinc/06/60/96/525066096.db2.gz GBTHRHUQDZMNOJ-QGZVFWFLSA-N 0 0 440.503 4.101 50 0 IIAARN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(F)c1 ZINC000012774701 525068006 /nfs/dbraw/zinc/06/80/06/525068006.db2.gz TWRLAAQSXZXHPG-UHFFFAOYSA-N 0 0 434.514 4.038 50 0 IIAARN Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012624403 525069883 /nfs/dbraw/zinc/06/98/83/525069883.db2.gz ICVMRUXYKVSAHR-UHFFFAOYSA-N 0 0 436.961 4.231 50 0 IIAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)c2ccco2)cc1 ZINC000012390398 525093626 /nfs/dbraw/zinc/09/36/26/525093626.db2.gz VIDAELFFEFAUEQ-UHFFFAOYSA-N 0 0 430.526 4.448 50 0 IIAARN C[C@@H](NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000015722501 525095956 /nfs/dbraw/zinc/09/59/56/525095956.db2.gz OCXSZWBAODQBBG-LJQANCHMSA-N 0 0 439.581 4.083 50 0 IIAARN COc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2cccc(Cl)c2)cc1 ZINC000021524111 525097201 /nfs/dbraw/zinc/09/72/01/525097201.db2.gz DKPHQFWBRDELBB-UHFFFAOYSA-N 0 0 444.900 4.049 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)c(C)c1 ZINC000022768179 525107682 /nfs/dbraw/zinc/10/76/82/525107682.db2.gz XJJFEZPLAXJGCL-UHFFFAOYSA-N 0 0 441.535 4.332 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)cc1 ZINC000035424720 525107726 /nfs/dbraw/zinc/10/77/26/525107726.db2.gz QPXWOLGSAIPXGP-UHFFFAOYSA-N 0 0 439.475 4.092 50 0 IIAARN Cc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1 ZINC000020936894 525107782 /nfs/dbraw/zinc/10/77/82/525107782.db2.gz DENYVSUMXHIEAY-UHFFFAOYSA-N 0 0 440.478 4.437 50 0 IIAARN CS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2Cl)s1 ZINC000012883852 525197636 /nfs/dbraw/zinc/19/76/36/525197636.db2.gz QZQJDKKSWYVPPO-UHFFFAOYSA-N 0 0 449.981 4.422 50 0 IIAARN C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccccc1F ZINC000021811904 525200057 /nfs/dbraw/zinc/20/00/57/525200057.db2.gz JVJJWXFHWACJRT-XMMPIXPASA-N 0 0 436.487 4.150 50 0 IIAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000021859520 525212856 /nfs/dbraw/zinc/21/28/56/525212856.db2.gz NESVQMZEBPKGAH-RUZDIDTESA-N 0 0 429.545 4.434 50 0 IIAARN Cc1ccccc1N1CCN(C(=O)NCCCCCc2nc(-c3cccs3)no2)CC1 ZINC000022432496 525222961 /nfs/dbraw/zinc/22/29/61/525222961.db2.gz BTUPRFRVVCYGIN-UHFFFAOYSA-N 0 0 439.585 4.351 50 0 IIAARN Cc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)NCC2CC2)CC1 ZINC000036003169 525226558 /nfs/dbraw/zinc/22/65/58/525226558.db2.gz UROMORHFWPLMID-UHFFFAOYSA-N 0 0 445.542 4.058 50 0 IIAARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 ZINC000021908584 525245364 /nfs/dbraw/zinc/24/53/64/525245364.db2.gz CUGYIAJARWPOOV-HNNXBMFYSA-N 0 0 441.578 4.010 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCCC2)cc1 ZINC000036041848 525257318 /nfs/dbraw/zinc/25/73/18/525257318.db2.gz UGCKEBHTKPUBJO-FCHUYYIVSA-N 0 0 426.944 4.217 50 0 IIAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036041642 525257406 /nfs/dbraw/zinc/25/74/06/525257406.db2.gz YSWKZMDQCMKQAG-ZEQRLZLVSA-N 0 0 432.495 4.007 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(CN3C(=O)S/C(=C\c4cccs4)C3=O)s2)cc1 ZINC000012730978 525261784 /nfs/dbraw/zinc/26/17/84/525261784.db2.gz TUVSNARRJORKRL-ZROIWOOFSA-N 0 0 442.547 4.397 50 0 IIAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)c1 ZINC000022906484 525266514 /nfs/dbraw/zinc/26/65/14/525266514.db2.gz RCKMFPDZJSEVCI-UHFFFAOYSA-N 0 0 447.472 4.016 50 0 IIAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000018380727 525283377 /nfs/dbraw/zinc/28/33/77/525283377.db2.gz HYBCMIRBUUUCNF-UHFFFAOYSA-N 0 0 429.501 4.471 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(-n2cncn2)cc1 ZINC000012593533 525335921 /nfs/dbraw/zinc/33/59/21/525335921.db2.gz ITASCGDFHDQKMQ-MZNJEOGPSA-N 0 0 438.487 4.213 50 0 IIAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(-n2cncn2)cc1 ZINC000012593539 525336425 /nfs/dbraw/zinc/33/64/25/525336425.db2.gz ITASCGDFHDQKMQ-OSPHWJPCSA-N 0 0 438.487 4.213 50 0 IIAARN Cc1cc(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)c2c3c(c(=O)oc2c1)CCC3 ZINC000012882901 525378801 /nfs/dbraw/zinc/37/88/01/525378801.db2.gz IFECJADUDYKJCP-INIZCTEOSA-N 0 0 430.504 4.198 50 0 biogenic IIAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000012807917 525411161 /nfs/dbraw/zinc/41/11/61/525411161.db2.gz SGYUSSRDKGUGEW-HSZRJFAPSA-N 0 0 444.531 4.464 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000012683947 525441629 /nfs/dbraw/zinc/44/16/29/525441629.db2.gz JXKPKVRVFMJMBU-QKKBWIMNSA-N 0 0 442.462 4.324 50 0 IIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000065476496 525445182 /nfs/dbraw/zinc/44/51/82/525445182.db2.gz ZGQLHZUINIQIQU-AWEZNQCLSA-N 0 0 440.475 4.206 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)cc1 ZINC000012798881 525498833 /nfs/dbraw/zinc/49/88/33/525498833.db2.gz LCOSAXWAXXJQEI-JOCHJYFZSA-N 0 0 436.533 4.074 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cccc3cccnc32)cc1 ZINC000022279096 525509523 /nfs/dbraw/zinc/50/95/23/525509523.db2.gz PSXFZXOKXGUXHV-UHFFFAOYSA-N 0 0 431.517 4.377 50 0 IIAARN C[C@@H]1Cc2cc(C(=O)Nc3ccc(NC4CCCCC4)cc3)ccc2N1S(C)(=O)=O ZINC000065476829 525520555 /nfs/dbraw/zinc/52/05/55/525520555.db2.gz OKSRHBFHTBQCEJ-MRXNPFEDSA-N 0 0 427.570 4.394 50 0 IIAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCc2ccccc2)C3=O)o1 ZINC000021810763 525615371 /nfs/dbraw/zinc/61/53/71/525615371.db2.gz MDZRVCJKSXBGHS-SANMLTNESA-N 0 0 433.552 4.449 50 0 IIAARN COc1ccc2cc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)c(N3CCOCC3)nc2c1 ZINC000012371498 525620253 /nfs/dbraw/zinc/62/02/53/525620253.db2.gz NPBGJNNSIUIYOX-FYJGNVAPSA-N 0 0 449.894 4.078 50 0 IIAARN Cc1c(C(=O)NC[C@@H]2CCCO2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490227 525622468 /nfs/dbraw/zinc/62/24/68/525622468.db2.gz VHYQPYLYANBWIR-KRWDZBQOSA-N 0 0 425.916 4.161 50 0 IIAARN Cc1c(C(=O)NC[C@H]2CCCO2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490229 525623267 /nfs/dbraw/zinc/62/32/67/525623267.db2.gz VHYQPYLYANBWIR-QGZVFWFLSA-N 0 0 425.916 4.161 50 0 IIAARN COc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3CCCN3CCOCC3)ccc2c1 ZINC000012744172 525637580 /nfs/dbraw/zinc/63/75/80/525637580.db2.gz SSKNTROMWJFZMQ-RUZDIDTESA-N 0 0 431.536 4.137 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccccc1F)C3=O ZINC000021857592 525642559 /nfs/dbraw/zinc/64/25/59/525642559.db2.gz DQFSPJRQBSQPMP-SANMLTNESA-N 0 0 449.526 4.263 50 0 IIAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C3=O ZINC000021857519 525642579 /nfs/dbraw/zinc/64/25/79/525642579.db2.gz RUFYRSAEBZOTHB-SANMLTNESA-N 0 0 449.526 4.263 50 0 IIAARN Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)c3cccc(F)c3)cc(=O)n2o1 ZINC000035448045 525673815 /nfs/dbraw/zinc/67/38/15/525673815.db2.gz IPGXAIPBVYUCGU-UHFFFAOYSA-N 0 0 427.819 4.220 50 0 IIAARN Cc1c(C)n(C2CCCC2)c(NC(=O)[C@H]2CCCO2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012322540 525680488 /nfs/dbraw/zinc/68/04/88/525680488.db2.gz WCYNMKCHWMIDNJ-HXUWFJFHSA-N 0 0 430.570 4.479 50 0 IIAARN COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3OC)c2)c1 ZINC000012073668 525714224 /nfs/dbraw/zinc/71/42/24/525714224.db2.gz LCRMFLMLMGNFPZ-HSZRJFAPSA-N 0 0 445.519 4.399 50 0 IIAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(Cl)cc3)n2)c1 ZINC000015670538 525717381 /nfs/dbraw/zinc/71/73/81/525717381.db2.gz MIHQXQYLWVCASE-GOSISDBHSA-N 0 0 446.898 4.169 50 0 IIAARN COc1cccc(-c2nc3n(n2)[C@H](c2cccs2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000012469074 525728882 /nfs/dbraw/zinc/72/88/82/525728882.db2.gz WBPDXWPQNAKMID-HXUWFJFHSA-N 0 0 444.520 4.338 50 0 IIAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(O)cc3O)n(-c3ccccc3)n2)cc1 ZINC000012694532 525735526 /nfs/dbraw/zinc/73/55/26/525735526.db2.gz ABMMLUIBLLHYEC-UHFFFAOYSA-N 0 0 443.459 4.054 50 0 IIAARN C[C@@H]1c2nc3ccccc3n2[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000020676916 525736734 /nfs/dbraw/zinc/73/67/34/525736734.db2.gz LPMVXGPQLXJEIA-NTKDMRAZSA-N 0 0 438.531 4.387 50 0 IIAARN COc1cccc(-n2cnn(CN3CCC[C@@H]3c3cc(OC)ccc3OC)c2=S)c1 ZINC000012555471 525754106 /nfs/dbraw/zinc/75/41/06/525754106.db2.gz FBKMAKLNGQDCTQ-HXUWFJFHSA-N 0 0 426.542 4.224 50 0 IIAARN COc1cccc(/C=C(\C(=O)OCC(=O)N2CCc3ccccc3C2)c2ccccc2)c1 ZINC000033527640 525760980 /nfs/dbraw/zinc/76/09/80/525760980.db2.gz HBBYFFCZKPCOAZ-UQQQWYQISA-N 0 0 427.500 4.364 50 0 IIAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000015974766 525767676 /nfs/dbraw/zinc/76/76/76/525767676.db2.gz XQBVDXMFURPYSB-LLVKDONJSA-N 0 0 426.926 4.348 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)o1 ZINC000012140142 525782787 /nfs/dbraw/zinc/78/27/87/525782787.db2.gz QEVQBXYLDAXTOM-CQSZACIVSA-N 0 0 445.566 4.384 50 0 IIAARN Cc1ccc(-c2csc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)n2)cc1C ZINC000012869891 525784121 /nfs/dbraw/zinc/78/41/21/525784121.db2.gz KOTNUGGYYDXSFR-UHFFFAOYSA-N 0 0 446.532 4.315 50 0 IIAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012541227 525791258 /nfs/dbraw/zinc/79/12/58/525791258.db2.gz FZOPMCXGMATKGU-QGZVFWFLSA-N 0 0 432.553 4.369 50 0 IIAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000012464391 525794818 /nfs/dbraw/zinc/79/48/18/525794818.db2.gz BMKDYTGZBSBRMW-SFHVURJKSA-N 0 0 438.578 4.227 50 0 IIAARN COc1cccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1OC ZINC000012465699 525798862 /nfs/dbraw/zinc/79/88/62/525798862.db2.gz XUPDRUPPRGOIQX-QGZVFWFLSA-N 0 0 428.504 4.422 50 0 IIAARN Cc1ccc(-c2nc(CC(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 ZINC000015765226 525804595 /nfs/dbraw/zinc/80/45/95/525804595.db2.gz NLEZOQYZMUSFJH-UHFFFAOYSA-N 0 0 433.455 4.175 50 0 IIAARN COc1cccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC(C)C)C2)c1 ZINC000036041996 525808573 /nfs/dbraw/zinc/80/85/73/525808573.db2.gz KVHQKJOCOFVCOJ-VQTJNVASSA-N 0 0 434.458 4.094 50 0 IIAARN Cc1ccc(-c2nc3ccccc3c3nnc(S[C@@H](C)C(=O)NC[C@H]4CCCO4)n32)cc1 ZINC000021727417 525824707 /nfs/dbraw/zinc/82/47/07/525824707.db2.gz OSCVCHWEIPPFDD-FUHWJXTLSA-N 0 0 447.564 4.029 50 0 IIAARN Cc1ccsc1CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000035982575 525833961 /nfs/dbraw/zinc/83/39/61/525833961.db2.gz CIRMXDIICDADJC-WWGRRREGSA-N 0 0 436.426 4.163 50 0 IIAARN Cc1c(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cccc1C(N)=O ZINC000032913398 525867772 /nfs/dbraw/zinc/86/77/72/525867772.db2.gz URDZBYBKEYWPGK-FQEVSTJZSA-N 0 0 442.475 4.223 50 0 IIAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)[C@@H](C)O3)c1 ZINC000035884620 525874233 /nfs/dbraw/zinc/87/42/33/525874233.db2.gz NPHZFMKERPCWEW-QGZVFWFLSA-N 0 0 448.494 4.325 50 0 IIAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000012779810 525891317 /nfs/dbraw/zinc/89/13/17/525891317.db2.gz AAHOXSODBCHBLO-DEOSSOPVSA-N 0 0 449.507 4.383 50 0 IIAARN Cc1ccc(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000021150054 525909584 /nfs/dbraw/zinc/90/95/84/525909584.db2.gz YTKDDMHHOJSZTP-UHFFFAOYSA-N 0 0 438.325 4.074 50 0 IIAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012776471 525917693 /nfs/dbraw/zinc/91/76/93/525917693.db2.gz CPKRDVQSJWNTQY-CVEARBPZSA-N 0 0 431.330 4.094 50 0 IIAARN COc1cccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)c1OC ZINC000036031669 525924769 /nfs/dbraw/zinc/92/47/69/525924769.db2.gz WBUACYQPQXJBEX-QFIPXVFZSA-N 0 0 425.500 4.285 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526554 525929794 /nfs/dbraw/zinc/92/97/94/525929794.db2.gz RQBVVBJECYEHKY-SANMLTNESA-N 0 0 449.551 4.497 50 0 IIAARN COc1cccc(CN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810777 525930823 /nfs/dbraw/zinc/93/08/23/525930823.db2.gz NHMJRSMWRJFSGG-AREMUKBSSA-N 0 0 449.551 4.415 50 0 IIAARN COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021864731 525930943 /nfs/dbraw/zinc/93/09/43/525930943.db2.gz KWNONXRVFMGQFV-AREMUKBSSA-N 0 0 449.551 4.334 50 0 IIAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012516176 525931516 /nfs/dbraw/zinc/93/15/16/525931516.db2.gz FGBOCDOQLUXNOQ-ZDUSSCGKSA-N 0 0 439.737 4.345 50 0 IIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1ccc(Cl)cc1)nc2C ZINC000015942994 525935484 /nfs/dbraw/zinc/93/54/84/525935484.db2.gz TWIWRZMXSWEDKG-QGZVFWFLSA-N 0 0 449.942 4.038 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NC3CCCCCC3)CC1)nnc2C ZINC000020564037 525938035 /nfs/dbraw/zinc/93/80/35/525938035.db2.gz RSNXFDLRADJYMS-UHFFFAOYSA-N 0 0 446.599 4.488 50 0 IIAARN CSc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000012415229 525949241 /nfs/dbraw/zinc/94/92/41/525949241.db2.gz AOSZQQVXQLYDLZ-UHFFFAOYSA-N 0 0 429.567 4.335 50 0 IIAARN Cc1ccc([C@H](CC(=O)N2CCN(c3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721495 525951076 /nfs/dbraw/zinc/95/10/76/525951076.db2.gz SUNSMUCBUOZLNV-SANMLTNESA-N 0 0 439.559 4.431 50 0 IIAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1 ZINC000021805323 525955869 /nfs/dbraw/zinc/95/58/69/525955869.db2.gz CRSMHVARNHSVRM-NRFANRHFSA-N 0 0 425.916 4.107 50 0 IIAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1ccc(Cl)cc1F ZINC000021935728 525968927 /nfs/dbraw/zinc/96/89/27/525968927.db2.gz YZEDPVODYKBXQS-GHMZBOCLSA-N 0 0 430.892 4.218 50 0 IIAARN COc1cccc(CNC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c1 ZINC000035446980 525980615 /nfs/dbraw/zinc/98/06/15/525980615.db2.gz PTVXVFDWFOMSPL-UHFFFAOYSA-N 0 0 432.524 4.121 50 0 biogenic IIAARN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012804364 526000797 /nfs/dbraw/zinc/00/07/97/526000797.db2.gz LSLXVOYVEKBCGH-JTQLQIEISA-N 0 0 428.461 4.475 50 0 IIAARN CSc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)cc1 ZINC000020900481 526001897 /nfs/dbraw/zinc/00/18/97/526001897.db2.gz CXVZCIBGBUACOV-UHFFFAOYSA-N 0 0 427.599 4.361 50 0 IIAARN C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012761631 526018751 /nfs/dbraw/zinc/01/87/51/526018751.db2.gz SDZHZSOXCBRURP-SNVBAGLBSA-N 0 0 427.839 4.454 50 0 IIAARN C[C@@H](Sc1nnnn1Cc1cccs1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000021738183 526019723 /nfs/dbraw/zinc/01/97/23/526019723.db2.gz TXYLYLIUDBIWMM-GHMZBOCLSA-N 0 0 444.611 4.059 50 0 IIAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012550396 526023006 /nfs/dbraw/zinc/02/30/06/526023006.db2.gz POOQJUGIXFLEHP-DNBYOKIBSA-N 0 0 435.534 4.301 50 0 IIAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670605 526078219 /nfs/dbraw/zinc/07/82/19/526078219.db2.gz VAWRLTAHKZJXJM-GOSISDBHSA-N 0 0 446.511 4.368 50 0 IIAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1NC(=O)c1ccco1 ZINC000012677401 526082845 /nfs/dbraw/zinc/08/28/45/526082845.db2.gz GCIQWSZRHVLLFF-UHFFFAOYSA-N 0 0 431.492 4.331 50 0 IIAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000024610744 526109844 /nfs/dbraw/zinc/10/98/44/526109844.db2.gz 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Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000035535096 526216211 /nfs/dbraw/zinc/21/62/11/526216211.db2.gz YYGBLMAYCNCUMH-UHFFFAOYSA-N 0 0 449.869 4.367 50 0 IIAARN CSc1ncc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC000022009565 526218917 /nfs/dbraw/zinc/21/89/17/526218917.db2.gz OFLZMUHASDQBBB-MRXNPFEDSA-N 0 0 438.528 4.224 50 0 IIAARN CSc1nnc2c(n1)O[C@@H](c1ccccc1Br)N(C(C)=O)c1ccccc1-2 ZINC000012379462 526229044 /nfs/dbraw/zinc/22/90/44/526229044.db2.gz LXKJDUTTZGRDJO-SFHVURJKSA-N 0 0 443.326 4.467 50 0 IIAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579618 526241824 /nfs/dbraw/zinc/24/18/24/526241824.db2.gz YRHKMGJNMKFYNV-UHFFFAOYSA-N 0 0 439.515 4.500 50 0 IIAARN Cc1nn(CCCC(=O)Nc2cc(Cl)ccc2C)c(C)c1I ZINC000012462377 526279205 /nfs/dbraw/zinc/27/92/05/526279205.db2.gz WWWRJCAQYNFULC-UHFFFAOYSA-N 0 0 431.705 4.485 50 0 IIAARN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000021528762 526282748 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Cc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2ccc(Br)cc2)c1 ZINC000000714638 555548190 /nfs/dbraw/zinc/54/81/90/555548190.db2.gz UQGRWWZLUYMJLG-KRWDZBQOSA-N 0 0 427.220 4.367 50 0 IIAARN CCc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000000724755 555551071 /nfs/dbraw/zinc/55/10/71/555551071.db2.gz HSPWMXXOQTTYJA-UHFFFAOYSA-N 0 0 437.487 4.231 50 0 IIAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc(OCC)c1OCC ZINC000000724553 555551112 /nfs/dbraw/zinc/55/11/12/555551112.db2.gz CTKKRPKBMOWXGD-UHFFFAOYSA-N 0 0 431.558 4.076 50 0 IIAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000000780102 555554729 /nfs/dbraw/zinc/55/47/29/555554729.db2.gz BFYFDKWHRLXJQP-UHFFFAOYSA-N 0 0 445.427 4.215 50 0 IIAARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CCC5)c3cccc1c23 ZINC000000781565 555555250 /nfs/dbraw/zinc/55/52/50/555555250.db2.gz PECQHNYIJMFLBY-UHFFFAOYSA-N 0 0 432.457 4.472 50 0 IIAARN O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1Cl ZINC000000784048 555555892 /nfs/dbraw/zinc/55/58/92/555555892.db2.gz XLWUBAUHTLFUNR-UHFFFAOYSA-N 0 0 446.923 4.307 50 0 aggregator IIAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2CC)cc1 ZINC000000797500 555558317 /nfs/dbraw/zinc/55/83/17/555558317.db2.gz SJIXDPJWZPLLLG-UHFFFAOYSA-N 0 0 426.542 4.179 50 0 IIAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000000815223 555561346 /nfs/dbraw/zinc/56/13/46/555561346.db2.gz JIAYXNXEQHQJDF-UHFFFAOYSA-N 0 0 445.861 4.138 50 0 IIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl ZINC000000822192 555564233 /nfs/dbraw/zinc/56/42/33/555564233.db2.gz UXILBUOBLIMHFF-OAHLLOKOSA-N 0 0 443.780 4.316 50 0 IIAARN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000824410 555564571 /nfs/dbraw/zinc/56/45/71/555564571.db2.gz QMTMZZLZIXLDLT-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000829755 555566005 /nfs/dbraw/zinc/56/60/05/555566005.db2.gz UXOGVTWRFBJQCW-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000009368937 555566013 /nfs/dbraw/zinc/56/60/13/555566013.db2.gz VXPGZIRPXVEFNW-IBGZPJMESA-N 0 0 440.594 4.307 50 0 IIAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc(OC)c1OC ZINC000000839423 555567621 /nfs/dbraw/zinc/56/76/21/555567621.db2.gz WBRZJIURLLOBGX-UHFFFAOYSA-N 0 0 432.432 4.133 50 0 IIAARN COc1ccc(CCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000000866640 555574046 /nfs/dbraw/zinc/57/40/46/555574046.db2.gz INEYVMRLZRZHBP-CVQXOBEKSA-N 0 0 439.511 4.139 50 0 IIAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000870502 555575223 /nfs/dbraw/zinc/57/52/23/555575223.db2.gz KISMPJNBPPEFGG-UHFFFAOYSA-N 0 0 431.949 4.303 50 0 IIAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000000876305 555576166 /nfs/dbraw/zinc/57/61/66/555576166.db2.gz YCLGRUZJKYFEOP-UHFFFAOYSA-N 0 0 432.933 4.270 50 0 IIAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3N2)c1 ZINC000000884164 555578664 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IIAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 ZINC000000985709 555594496 /nfs/dbraw/zinc/59/44/96/555594496.db2.gz JRDUGQGLTYBRAX-UHFFFAOYSA-N 0 0 428.579 4.430 50 0 IIAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)c(OC)c1 ZINC000000990075 555596002 /nfs/dbraw/zinc/59/60/02/555596002.db2.gz ABCQEIWBJXVIFF-SANMLTNESA-N 0 0 431.488 4.020 50 0 IIAARN O=C(Oc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1)c1ccco1 ZINC000000992970 555597101 /nfs/dbraw/zinc/59/71/01/555597101.db2.gz IOUAJSMBMBSJRS-UHFFFAOYSA-N 0 0 429.222 4.301 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1I ZINC000001003758 555600743 /nfs/dbraw/zinc/60/07/43/555600743.db2.gz QHAFQOCGDAVZLY-UHFFFAOYSA-N 0 0 440.306 4.043 50 0 IIAARN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000001008120 555601370 /nfs/dbraw/zinc/60/13/70/555601370.db2.gz ZCPCBJSVWDCRAR-XDHOZWIPSA-N 0 0 426.494 4.077 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OC(C)C ZINC000001013107 555602247 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CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000001060663 555616032 /nfs/dbraw/zinc/61/60/32/555616032.db2.gz YXUKEQQDQSWJDK-UHFFFAOYSA-N 0 0 436.566 4.138 50 0 IIAARN COc1cc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)ccc1NC(=O)C(C)C ZINC000001063098 555617004 /nfs/dbraw/zinc/61/70/04/555617004.db2.gz NHMTTYCSWKZWGZ-UHFFFAOYSA-N 0 0 443.569 4.451 50 0 IIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000001067562 555619285 /nfs/dbraw/zinc/61/92/85/555619285.db2.gz CLUNVEUJPBUQTO-UHFFFAOYSA-N 0 0 431.517 4.434 50 0 IIAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccnc1 ZINC000001069881 555620579 /nfs/dbraw/zinc/62/05/79/555620579.db2.gz BXHHWAOVEHCDHF-UHFFFAOYSA-N 0 0 426.929 4.011 50 0 IIAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001071101 555621180 /nfs/dbraw/zinc/62/11/80/555621180.db2.gz UYHBKKNPPUHITD-RUZDIDTESA-N 0 0 449.890 4.385 50 0 IIAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1 ZINC000001072481 555621918 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/nfs/dbraw/zinc/63/49/58/555634958.db2.gz LYLCLHISSGFJDM-UHFFFAOYSA-N 0 0 447.354 4.252 50 0 IIAARN Cc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)c1C ZINC000001117599 555635228 /nfs/dbraw/zinc/63/52/28/555635228.db2.gz QTHOGPAAWPCNSY-UHFFFAOYSA-N 0 0 430.476 4.416 50 0 IIAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(Br)cc1 ZINC000001118158 555635500 /nfs/dbraw/zinc/63/55/00/555635500.db2.gz SOZFKAOIEDPMPS-UHFFFAOYSA-N 0 0 449.349 4.422 50 0 IIAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCC2(CC1)OCCO2 ZINC000001121214 555637982 /nfs/dbraw/zinc/63/79/82/555637982.db2.gz VHOUCDYQAHKEAR-UHFFFAOYSA-N 0 0 446.594 4.051 50 0 IIAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)o1 ZINC000001122455 555638485 /nfs/dbraw/zinc/63/84/85/555638485.db2.gz QKMCWQWUOGUCDZ-QFIPXVFZSA-N 0 0 440.293 4.358 50 0 IIAARN COc1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001128054 555642523 /nfs/dbraw/zinc/64/25/23/555642523.db2.gz YYXZWYCWJMDQNB-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000001128446 555642776 /nfs/dbraw/zinc/64/27/76/555642776.db2.gz YJMOIJZWTSQVKW-DEOSSOPVSA-N 0 0 439.533 4.049 50 0 IIAARN Cc1c(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)c(=O)n(-c2ccccc2)n1C ZINC000001129518 555643748 /nfs/dbraw/zinc/64/37/48/555643748.db2.gz OXMSKHPZRGDPRV-UHFFFAOYSA-N 0 0 427.570 4.200 50 0 IIAARN CC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000001133493 555645990 /nfs/dbraw/zinc/64/59/90/555645990.db2.gz KRIBYDZMESBRES-UHFFFAOYSA-N 0 0 436.533 4.416 50 0 IIAARN COC(=O)COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000001133562 555646020 /nfs/dbraw/zinc/64/60/20/555646020.db2.gz OKPIEJLNBYWZLC-YVLHZVERSA-N 0 0 433.869 4.141 50 0 IIAARN COc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c1 ZINC000001142264 555650626 /nfs/dbraw/zinc/65/06/26/555650626.db2.gz MZOHPYBMIRHKIX-UHFFFAOYSA-N 0 0 426.542 4.257 50 0 IIAARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000001142114 555650676 /nfs/dbraw/zinc/65/06/76/555650676.db2.gz PZNXRGFXCRDLFB-DEOSSOPVSA-N 0 0 443.572 4.375 50 0 IIAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C)cc2)cc1 ZINC000001144281 555652053 /nfs/dbraw/zinc/65/20/53/555652053.db2.gz JMMINIZVAWJQCD-UHFFFAOYSA-N 0 0 438.549 4.454 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000001157068 555659546 /nfs/dbraw/zinc/65/95/46/555659546.db2.gz TXOPOFOXKXZGEB-GOSISDBHSA-N 0 0 436.295 4.277 50 0 IIAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1cc(C)nc3ccccc31)CCC2 ZINC000001161708 555662004 /nfs/dbraw/zinc/66/20/04/555662004.db2.gz YKHBQUOWXMPZMK-UHFFFAOYSA-N 0 0 438.505 4.066 50 0 IIAARN O=C(COc1ccccc1Cl)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000001167889 555665050 /nfs/dbraw/zinc/66/50/50/555665050.db2.gz MHUXZMZLGYLNOR-AWEZNQCLSA-N 0 0 448.972 4.207 50 0 IIAARN O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccc(F)cc1 ZINC000001169976 555665850 /nfs/dbraw/zinc/66/58/50/555665850.db2.gz YPGTVVAGUZINAD-UHFFFAOYSA-N 0 0 434.661 4.211 50 0 IIAARN COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000001170727 555666445 /nfs/dbraw/zinc/66/64/45/555666445.db2.gz TXSSHFNFZVVDHO-UYTMDOHCSA-N 0 0 437.495 4.218 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001173610 555668423 /nfs/dbraw/zinc/66/84/23/555668423.db2.gz JHMHBFODZCPUHQ-UHFFFAOYSA-N 0 0 442.968 4.469 50 0 IIAARN COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(OC)c1 ZINC000001179551 555671154 /nfs/dbraw/zinc/67/11/54/555671154.db2.gz YOJULHSWZIVGCZ-UHFFFAOYSA-N 0 0 429.723 4.247 50 0 IIAARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000001188191 555674959 /nfs/dbraw/zinc/67/49/59/555674959.db2.gz ZQXYJJRADGHIFS-IBGZPJMESA-N 0 0 431.945 4.097 50 0 IIAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)cc1OC ZINC000001204045 555679668 /nfs/dbraw/zinc/67/96/68/555679668.db2.gz BBWVEHSVQLVGQL-UHFFFAOYSA-N 0 0 432.358 4.278 50 0 IIAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(OC)ccc3ccccc32)cc1 ZINC000001208763 555681676 /nfs/dbraw/zinc/68/16/76/555681676.db2.gz BRIVLOCFSQJQDU-JOCHJYFZSA-N 0 0 433.533 4.289 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001220819 555685929 /nfs/dbraw/zinc/68/59/29/555685929.db2.gz QYTZMNXYENHLRM-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2O)C(Cl)(Cl)Cl)cc1 ZINC000001232110 555686786 /nfs/dbraw/zinc/68/67/86/555686786.db2.gz JKELWJOKKHDKNX-OAHLLOKOSA-N 0 0 432.760 4.113 50 0 IIAARN COc1ccc(OCC(=O)Nc2cccc(-c3nnc4c5ccccc5c(C)nn34)c2)cc1 ZINC000001427912 555696275 /nfs/dbraw/zinc/69/62/75/555696275.db2.gz VOGIHVDGTDFNNB-UHFFFAOYSA-N 0 0 439.475 4.279 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cccc(Cl)c2)cc1 ZINC000001445257 555698684 /nfs/dbraw/zinc/69/86/84/555698684.db2.gz NOWLMYXCDPCELH-UHFFFAOYSA-N 0 0 428.941 4.160 50 0 IIAARN CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001469871 555701113 /nfs/dbraw/zinc/70/11/13/555701113.db2.gz WRBCZEITYJRWMJ-UHFFFAOYSA-N 0 0 429.567 4.011 50 0 IIAARN CN1c2ccccc2[C@H]([NH2+]CCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O ZINC000001542594 555702847 /nfs/dbraw/zinc/70/28/47/555702847.db2.gz JICJBGPOMZQUBB-NRFANRHFSA-N 0 0 436.961 4.193 50 0 world IIAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000001738417 555711414 /nfs/dbraw/zinc/71/14/14/555711414.db2.gz LQLQTORELHGXMX-HXUWFJFHSA-N 0 0 428.916 4.108 50 0 biogenic IIAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C ZINC000001748884 555712105 /nfs/dbraw/zinc/71/21/05/555712105.db2.gz HUBQJDDUQVIDDL-MRXNPFEDSA-N 0 0 435.542 4.216 50 0 biogenic IIAARN c1ccc(Cc2noc(CN3CCC4(C[C@H]4c4nnc(-c5ccccc5)o4)CC3)n2)cc1 ZINC000071889694 555726619 /nfs/dbraw/zinc/72/66/19/555726619.db2.gz CRXJAUSTQIVVNH-FQEVSTJZSA-N 0 0 427.508 4.480 50 0 IIAARN COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002136676 555747255 /nfs/dbraw/zinc/74/72/55/555747255.db2.gz LNLBTSKEYIXMTD-FOCLMDBBSA-N 0 0 437.565 4.284 50 0 IIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002188710 555755829 /nfs/dbraw/zinc/75/58/29/555755829.db2.gz TZILHCLRAVHTPN-RGEXLXHISA-N 0 0 439.876 4.452 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002199421 555757186 /nfs/dbraw/zinc/75/71/86/555757186.db2.gz CIJUHQIHPWYSII-HXUWFJFHSA-N 0 0 433.391 4.057 50 0 IIAARN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cc4ccccc4o3)nn12 ZINC000002365407 555772648 /nfs/dbraw/zinc/77/26/48/555772648.db2.gz KBDVVYYVZWEWFM-UHFFFAOYSA-N 0 0 434.506 4.034 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000002388161 555774966 /nfs/dbraw/zinc/77/49/66/555774966.db2.gz ZXLREDGBXLLCOC-UHFFFAOYSA-N 0 0 435.509 4.029 50 0 IIAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)s1 ZINC000002420840 555777669 /nfs/dbraw/zinc/77/76/69/555777669.db2.gz WJXIDAAPWBCTAL-LJQANCHMSA-N 0 0 433.489 4.298 50 0 IIAARN O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(Cc3ccc(F)c(Cl)c3)CC2)n1 ZINC000034678043 555796510 /nfs/dbraw/zinc/79/65/10/555796510.db2.gz ZXJVCFZNSPVUPX-UHFFFAOYSA-N 0 0 446.885 4.176 50 0 IIAARN CCOc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1 ZINC000002692305 555799456 /nfs/dbraw/zinc/79/94/56/555799456.db2.gz BASLLKVHWSGVOB-UHFFFAOYSA-N 0 0 445.504 4.253 50 0 IIAARN COc1cccc(Cn2cnc3c2c(=O)n(C2CCCCC2)c(=O)n3-c2ccccc2C)c1 ZINC000034693905 555808559 /nfs/dbraw/zinc/80/85/59/555808559.db2.gz FBOHTNKRAXPGOB-UHFFFAOYSA-N 0 0 444.535 4.219 50 0 IIAARN O=C(Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccc(F)cc1F ZINC000034681048 555814006 /nfs/dbraw/zinc/81/40/06/555814006.db2.gz NBZDWWZQGUNWMO-UHFFFAOYSA-N 0 0 442.491 4.026 50 0 IIAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713869 555828826 /nfs/dbraw/zinc/82/88/26/555828826.db2.gz QKRPDKIWHFEXHT-HOYKHHGWSA-N 0 0 432.520 4.279 50 0 IIAARN CC[C@H](C(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(C)n32)CC1)c1ccccc1 ZINC000034700040 555837009 /nfs/dbraw/zinc/83/70/09/555837009.db2.gz VSPOQDJSAXYARL-IBGZPJMESA-N 0 0 448.958 4.082 50 0 IIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000002851723 555839613 /nfs/dbraw/zinc/83/96/13/555839613.db2.gz YMAUCQQIZILVAD-GOSISDBHSA-N 0 0 428.282 4.137 50 0 IIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000002856849 555842053 /nfs/dbraw/zinc/84/20/53/555842053.db2.gz GASSAXJRFKOMNM-UHFFFAOYSA-N 0 0 431.539 4.081 50 0 IIAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000002858571 555842942 /nfs/dbraw/zinc/84/29/42/555842942.db2.gz SCFAPMARFUPYKQ-UHFFFAOYSA-N 0 0 437.732 4.060 50 0 IIAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000002874592 555851804 /nfs/dbraw/zinc/85/18/04/555851804.db2.gz RNNSUYTUQPALCK-UHFFFAOYSA-N 0 0 443.569 4.144 50 0 IIAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000002877435 555852900 /nfs/dbraw/zinc/85/29/00/555852900.db2.gz PDWCPEKWSVNLSJ-OAHLLOKOSA-N 0 0 439.375 4.168 50 0 IIAARN COc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1I ZINC000002891015 555859516 /nfs/dbraw/zinc/85/95/16/555859516.db2.gz JRJCAGAHTSEIQM-UHFFFAOYSA-N 0 0 440.306 4.043 50 0 IIAARN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002899351 555860650 /nfs/dbraw/zinc/86/06/50/555860650.db2.gz OKFJERZIIIDPEM-GOSISDBHSA-N 0 0 442.968 4.408 50 0 IIAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000002932310 555864191 /nfs/dbraw/zinc/86/41/91/555864191.db2.gz JCEHZIJUJXXQEG-UHFFFAOYSA-N 0 0 440.590 4.175 50 0 IIAARN Cc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002978483 555870542 /nfs/dbraw/zinc/87/05/42/555870542.db2.gz CZPVBZNLKKYZQZ-UHFFFAOYSA-N 0 0 436.577 4.432 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)c(C)c2)cc1 ZINC000002978899 555871031 /nfs/dbraw/zinc/87/10/31/555871031.db2.gz LBRQVSJJBXPSFH-UHFFFAOYSA-N 0 0 436.577 4.432 50 0 IIAARN COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000002982529 555872871 /nfs/dbraw/zinc/87/28/71/555872871.db2.gz CXUQKOQSTZXHMU-UHFFFAOYSA-N 0 0 429.885 4.321 50 0 IIAARN COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002982630 555873163 /nfs/dbraw/zinc/87/31/63/555873163.db2.gz SHUCKGMSZQUMRO-UHFFFAOYSA-N 0 0 442.512 4.285 50 0 IIAARN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002998628 555876975 /nfs/dbraw/zinc/87/69/75/555876975.db2.gz RQLNWNQFZSCCLS-CQSZACIVSA-N 0 0 429.369 4.099 50 0 IIAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NCCOc1ccccc1 ZINC000003002105 555877947 /nfs/dbraw/zinc/87/79/47/555877947.db2.gz IRRBFQCGCZCHGV-UHFFFAOYSA-N 0 0 444.560 4.281 50 0 IIAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000003051714 555883040 /nfs/dbraw/zinc/88/30/40/555883040.db2.gz VAYWYAUIXRIYEH-MRXNPFEDSA-N 0 0 446.787 4.416 50 0 IIAARN CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003062699 555884025 /nfs/dbraw/zinc/88/40/25/555884025.db2.gz HBLNFATUEDJFBD-GOSISDBHSA-N 0 0 430.810 4.321 50 0 IIAARN O=C(Nc1nc2c(s1)C(=O)CCC2)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000071892520 555885099 /nfs/dbraw/zinc/88/50/99/555885099.db2.gz FBHFUQGGXTZQNY-MRXNPFEDSA-N 0 0 433.533 4.306 50 0 IIAARN COc1cccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccco2)CC3)c1 ZINC000034757570 555902351 /nfs/dbraw/zinc/90/23/51/555902351.db2.gz HCZIZKQVAJJBPX-UHFFFAOYSA-N 0 0 448.523 4.305 50 0 IIAARN O=C(Nc1cccc(Cl)c1)N1CCN(Cc2noc(-c3ccccc3Cl)n2)CC1 ZINC000034904892 555919277 /nfs/dbraw/zinc/91/92/77/555919277.db2.gz UHOIHRYTZXIFFS-UHFFFAOYSA-N 0 0 432.311 4.393 50 0 IIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1 ZINC000034904756 555919297 /nfs/dbraw/zinc/91/92/97/555919297.db2.gz UPKDTWMTXUZQFZ-UHFFFAOYSA-N 0 0 435.286 4.141 50 0 IIAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)C(C)C)cs2)c1 ZINC000034905494 555919709 /nfs/dbraw/zinc/91/97/09/555919709.db2.gz WTLGWKIOMXCRFS-MOPGFXCFSA-N 0 0 429.586 4.152 50 0 IIAARN CCCCC(=O)NC1CCC(NC(=O)c2csc(COc3ccccc3OC)n2)CC1 ZINC000034905692 555920023 /nfs/dbraw/zinc/92/00/23/555920023.db2.gz FXCBJLBTGYZPJO-UHFFFAOYSA-N 0 0 445.585 4.078 50 0 IIAARN CC(C)(C)C(=O)NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1 ZINC000034905917 555920267 /nfs/dbraw/zinc/92/02/67/555920267.db2.gz SDCKNMDXSFZUOI-UHFFFAOYSA-N 0 0 433.549 4.065 50 0 IIAARN CCCCCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1 ZINC000034899434 555928961 /nfs/dbraw/zinc/92/89/61/555928961.db2.gz XUHIRKJRZSLKTR-DNVJHFABSA-N 0 0 441.616 4.053 50 0 IIAARN O=C(NCc1ccccc1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916927 555930595 /nfs/dbraw/zinc/93/05/95/555930595.db2.gz DREJRQFQRWDCNI-HNNXBMFYSA-N 0 0 444.375 4.389 50 0 IIAARN C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916972 555930905 /nfs/dbraw/zinc/93/09/05/555930905.db2.gz RQTJYMZKHFRGCB-GXTWGEPZSA-N 0 0 436.396 4.474 50 0 IIAARN COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O ZINC000003816292 555946708 /nfs/dbraw/zinc/94/67/08/555946708.db2.gz WOSKHXYHFSIKNG-UHFFFAOYSA-N 0 0 426.860 4.072 50 0 fda IIAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000003793063 555946729 /nfs/dbraw/zinc/94/67/29/555946729.db2.gz GGXICVAJURFBLW-SCTZCWPJSA-N 0 0 432.601 4.186 50 0 in-vitro IIAARN CC[C@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000004110963 555963533 /nfs/dbraw/zinc/96/35/33/555963533.db2.gz BCBIYPMOHATPKE-DQLDELGASA-N 0 0 447.256 4.043 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)C1 ZINC000004195629 555975388 /nfs/dbraw/zinc/97/53/88/555975388.db2.gz VTYKWIRHZOHICQ-INIZCTEOSA-N 0 0 442.466 4.058 50 0 IIAARN C[C@@H]1O[C@@H](O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000004283912 555982810 /nfs/dbraw/zinc/98/28/10/555982810.db2.gz YRAQXZMHYZXWBZ-RBGCBHJMSA-N 0 0 434.532 4.480 50 0 in-vitro IIAARN Cc1ccc(C)c(OCC(=O)NCCCCCCNC(=O)COc2cc(C)ccc2C)c1 ZINC000004291105 555983409 /nfs/dbraw/zinc/98/34/09/555983409.db2.gz QFSHHZAJIXVEFD-UHFFFAOYSA-N 0 0 440.584 4.171 50 0 IIAARN CC[C@H](C)NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc1cccnc1 ZINC000009530377 556011348 /nfs/dbraw/zinc/01/13/48/556011348.db2.gz IVZQWLZROBWFNI-AWEZNQCLSA-N 0 0 438.578 4.061 50 0 IIAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000005940502 556069721 /nfs/dbraw/zinc/06/97/21/556069721.db2.gz XSJNYYKLENIVIP-UHFFFAOYSA-N 0 0 426.494 4.147 50 0 IIAARN CCOC(=O)[C@](NC(=O)Nc1cc(F)ccc1C)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002311860 556078185 /nfs/dbraw/zinc/07/81/85/556078185.db2.gz UXEABTWZOSALMT-SFHVURJKSA-N 0 0 432.345 4.295 50 0 IIAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000006461711 556090096 /nfs/dbraw/zinc/09/00/96/556090096.db2.gz KQCGHIVNCLSADO-JOCHJYFZSA-N 0 0 433.512 4.346 50 0 IIAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)C1CCN(C(=O)C2CC2)CC1 ZINC000010572873 556090799 /nfs/dbraw/zinc/09/07/99/556090799.db2.gz HYVPERWZOLYPCX-UHFFFAOYSA-N 0 0 440.388 4.221 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2CC)cc1 ZINC000006878369 556107911 /nfs/dbraw/zinc/10/79/11/556107911.db2.gz RROKPLOHQOBKBM-UHFFFAOYSA-N 0 0 442.541 4.015 50 0 IIAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1 ZINC000002692247 556120588 /nfs/dbraw/zinc/12/05/88/556120588.db2.gz JLXSTECDOIHYPD-UHFFFAOYSA-N 0 0 441.455 4.169 50 0 IIAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cccc(OC)c1 ZINC000002691127 556122080 /nfs/dbraw/zinc/12/20/80/556122080.db2.gz GNXPYNPGPRLJJB-UHFFFAOYSA-N 0 0 449.528 4.290 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc2c1CC[C@@H](CC)C2 ZINC000002708410 556124464 /nfs/dbraw/zinc/12/44/64/556124464.db2.gz ARFAENYHECGRSJ-DYVFJYSZSA-N 0 0 427.522 4.160 50 0 IIAARN CCOC(=O)c1c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)sc2c1CC[C@@H](C)C2 ZINC000002709909 556124733 /nfs/dbraw/zinc/12/47/33/556124733.db2.gz KYRIJMCBIPDPEW-ZLOXQWCVSA-N 0 0 427.522 4.160 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1ccccc1Cl ZINC000002711603 556125056 /nfs/dbraw/zinc/12/50/56/556125056.db2.gz ZFVDRBRVHHVMNJ-UHFFFAOYSA-N 0 0 445.791 4.396 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c1 ZINC000002719943 556126208 /nfs/dbraw/zinc/12/62/08/556126208.db2.gz PMIWPDDZAYUANX-UHFFFAOYSA-N 0 0 441.553 4.367 50 0 IIAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000002764375 556136067 /nfs/dbraw/zinc/13/60/67/556136067.db2.gz PQYJBOITJVXZSD-UHFFFAOYSA-N 0 0 441.461 4.200 50 0 IIAARN Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4ccccc4F)n3)o2)c(C)c1Cl ZINC000002749534 556136891 /nfs/dbraw/zinc/13/68/91/556136891.db2.gz CISVHJQXYOENPK-UHFFFAOYSA-N 0 0 427.867 4.431 50 0 IIAARN Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)C(=O)N2c2ccccc2)c1 ZINC000002785853 556138630 /nfs/dbraw/zinc/13/86/30/556138630.db2.gz WVFYFBFIIOHGOA-CIAFOILYSA-N 0 0 445.548 4.153 50 0 IIAARN CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cnn(C)c4C)c3n2)s1 ZINC000002794246 556145236 /nfs/dbraw/zinc/14/52/36/556145236.db2.gz HAFUHQPZAHQRIU-UHFFFAOYSA-N 0 0 448.474 4.011 50 0 IIAARN CCOC(=O)c1ccc(NC(=S)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000002794826 556145295 /nfs/dbraw/zinc/14/52/95/556145295.db2.gz SHTQAIXNIVZTMZ-UHFFFAOYSA-N 0 0 440.491 4.333 50 0 IIAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000003022537 556157361 /nfs/dbraw/zinc/15/73/61/556157361.db2.gz HZMHWSWTSSHCDP-UHFFFAOYSA-N 0 0 446.475 4.094 50 0 IIAARN Cc1cc(C)c(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c(C)c1 ZINC000003015487 556158259 /nfs/dbraw/zinc/15/82/59/556158259.db2.gz WXJQEAYELRXHOI-UHFFFAOYSA-N 0 0 431.536 4.400 50 0 IIAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O ZINC000008395955 556163062 /nfs/dbraw/zinc/16/30/62/556163062.db2.gz YULMOMGSDUEVLJ-BTAWCLGRSA-N 0 0 442.331 4.224 50 0 IIAARN Cc1ccc(C2=N/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)O2)cc1 ZINC000008442546 556177424 /nfs/dbraw/zinc/17/74/24/556177424.db2.gz ZFVOTUARAQTNBB-JCMHNJIXSA-N 0 0 433.485 4.416 50 0 IIAARN Cc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)NC3CCCCC3)C2=O)cc1 ZINC000008454341 556185076 /nfs/dbraw/zinc/18/50/76/556185076.db2.gz DLTBAFDTZPCRFK-QHCPKHFHSA-N 0 0 449.620 4.379 50 0 IIAARN Cc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000008587515 556188324 /nfs/dbraw/zinc/18/83/24/556188324.db2.gz MNOOVRNGPIWJDI-OAQYLSRUSA-N 0 0 438.487 4.111 50 0 in-vitro IIAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CC(C)C)cc1 ZINC000008592041 556189283 /nfs/dbraw/zinc/18/92/83/556189283.db2.gz YDDIQJMQYFHNJR-OAQYLSRUSA-N 0 0 441.503 4.437 50 0 IIAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000008591951 556189331 /nfs/dbraw/zinc/18/93/31/556189331.db2.gz HFTGHDKFMXOHBI-JOCHJYFZSA-N 0 0 447.491 4.217 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1 ZINC000008604641 556191317 /nfs/dbraw/zinc/19/13/17/556191317.db2.gz XVDZRVSKRRKUDB-OAQYLSRUSA-N 0 0 435.505 4.447 50 0 IIAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]32C)cc1 ZINC000008738043 556205052 /nfs/dbraw/zinc/20/50/52/556205052.db2.gz MYERLJKKPCTZKL-JCYRPKCISA-N 0 0 428.488 4.445 50 0 IIAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008745105 556208751 /nfs/dbraw/zinc/20/87/51/556208751.db2.gz COYQORIDOUZVRC-UHFFFAOYSA-N 0 0 448.910 4.224 50 0 IIAARN COc1ccc(C2=NN(C(=O)COc3cccc4c3CCC[C@H]4O)[C@H](c3ccco3)C2)cc1 ZINC000008745367 556209081 /nfs/dbraw/zinc/20/90/81/556209081.db2.gz HEFLDBZXZGJCOW-XZOQPEGZSA-N 0 0 446.503 4.415 50 0 IIAARN CN(Cc1ccc(Cl)nc1)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000097466475 556214912 /nfs/dbraw/zinc/21/49/12/556214912.db2.gz GWJKPUUUUPAQCP-FQEVSTJZSA-N 0 0 438.915 4.285 50 0 IIAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc(C3CCCCC3)cc2)cc1 ZINC000008892184 556230696 /nfs/dbraw/zinc/23/06/96/556230696.db2.gz XFCOFLFTBLXHHX-UHFFFAOYSA-N 0 0 442.581 4.218 50 0 IIAARN COc1ccccc1NC(=O)/C(=C\c1ccc(OC)c(OC)c1)NC(=O)c1cccs1 ZINC000008934820 556235114 /nfs/dbraw/zinc/23/51/14/556235114.db2.gz VDUOHHUVSMZEBN-GHRIWEEISA-N 0 0 438.505 4.184 50 0 IIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000097514887 556239518 /nfs/dbraw/zinc/23/95/18/556239518.db2.gz ROTYXTOIFMJTBI-FQEVSTJZSA-N 0 0 444.890 4.206 50 0 IIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009095581 556246754 /nfs/dbraw/zinc/24/67/54/556246754.db2.gz RLZBPDFDEXCFBH-UHFFFAOYSA-N 0 0 447.491 4.031 50 0 IIAARN COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000097546838 556247877 /nfs/dbraw/zinc/24/78/77/556247877.db2.gz LLNXKKJMOBFZOZ-CJFMBICVSA-N 0 0 449.620 4.434 50 0 IIAARN COc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189612 556252674 /nfs/dbraw/zinc/25/26/74/556252674.db2.gz VGTRDOXSLOFWDN-IBGZPJMESA-N 0 0 435.553 4.313 50 0 biogenic IIAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009197635 556255797 /nfs/dbraw/zinc/25/57/97/556255797.db2.gz AKPHMHCTNIWREC-NHCUHLMSSA-N 0 0 437.569 4.254 50 0 IIAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 ZINC000009198606 556256422 /nfs/dbraw/zinc/25/64/22/556256422.db2.gz JSONXCLTJFSJRY-MRXNPFEDSA-N 0 0 438.578 4.352 50 0 IIAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)c1 ZINC000009198588 556256456 /nfs/dbraw/zinc/25/64/56/556256456.db2.gz RSVYHDBKKTWQIQ-MRXNPFEDSA-N 0 0 438.578 4.406 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1C ZINC000009198577 556256477 /nfs/dbraw/zinc/25/64/77/556256477.db2.gz ZBIOKIMXIJYTPA-MRXNPFEDSA-N 0 0 438.578 4.406 50 0 IIAARN CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199055 556256820 /nfs/dbraw/zinc/25/68/20/556256820.db2.gz WBWKMTFQSHJOBV-ZDUSSCGKSA-N 0 0 445.976 4.000 50 0 IIAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(C)c3)C2=O)c1 ZINC000009225841 556260110 /nfs/dbraw/zinc/26/01/10/556260110.db2.gz HNUUAOKPCRKQMO-RUZDIDTESA-N 0 0 430.529 4.483 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239261 556265547 /nfs/dbraw/zinc/26/55/47/556265547.db2.gz UYXBQBFFORCQDQ-DLBZAZTESA-N 0 0 433.459 4.257 50 0 IIAARN CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239320 556265802 /nfs/dbraw/zinc/26/58/02/556265802.db2.gz GVZPWOSTASBAGO-ROUUACIJSA-N 0 0 431.924 4.339 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cnccn2)cc1 ZINC000009243830 556267010 /nfs/dbraw/zinc/26/70/10/556267010.db2.gz TVIHJZIMJMVEIN-UHFFFAOYSA-N 0 0 430.537 4.380 50 0 IIAARN CCOc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000009309303 556278534 /nfs/dbraw/zinc/27/85/34/556278534.db2.gz ZTHHVYAWNOXXRG-UHFFFAOYSA-N 0 0 431.521 4.459 50 0 IIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032543427 556283793 /nfs/dbraw/zinc/28/37/93/556283793.db2.gz XVEXPXINORFGJO-UHFFFAOYSA-N 0 0 435.959 4.150 50 0 IIAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3F)C2)cc1 ZINC000009392143 556287507 /nfs/dbraw/zinc/28/75/07/556287507.db2.gz AEARWLUTUOZVDZ-IBGZPJMESA-N 0 0 443.525 4.250 50 0 IIAARN CCOC(=O)C1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000009427068 556290647 /nfs/dbraw/zinc/29/06/47/556290647.db2.gz HDQMXUFQQSKZFY-UHFFFAOYSA-N 0 0 437.565 4.485 50 0 IIAARN COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000009428515 556290943 /nfs/dbraw/zinc/29/09/43/556290943.db2.gz LOEYMNSBXPGLMI-NSHDSACASA-N 0 0 428.851 4.140 50 0 IIAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1C ZINC000013722843 556291307 /nfs/dbraw/zinc/29/13/07/556291307.db2.gz QWFKCZCNSVVRGE-UHFFFAOYSA-N 0 0 440.565 4.453 50 0 IIAARN COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1 ZINC000009458454 556292791 /nfs/dbraw/zinc/29/27/91/556292791.db2.gz ZJZWZIXSGNFWQQ-UHFFFAOYSA-N 0 0 434.492 4.019 50 0 in-vitro IIAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c(C)c1 ZINC000009487467 556294515 /nfs/dbraw/zinc/29/45/15/556294515.db2.gz ZZKXAGPCWXQRHG-MHZLTWQESA-N 0 0 443.499 4.082 50 0 IIAARN COc1ccccc1Cc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 ZINC000009489235 556294786 /nfs/dbraw/zinc/29/47/86/556294786.db2.gz UWXHDFCYYIQOKO-UHFFFAOYSA-N 0 0 446.916 4.010 50 0 IIAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NC1CC1)c1ccc2c(c1)OCCO2 ZINC000013731978 556296072 /nfs/dbraw/zinc/29/60/72/556296072.db2.gz NQYZSFQCGOULAM-UHFFFAOYSA-N 0 0 432.885 4.173 50 0 IIAARN COc1ccc(CCn2c(=O)c3ccccc3nc2SCc2cc(C)on2)cc1OC ZINC000032739544 556300037 /nfs/dbraw/zinc/30/00/37/556300037.db2.gz GMJPXFKPKOFPLC-UHFFFAOYSA-N 0 0 437.521 4.245 50 0 IIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000032741906 556303751 /nfs/dbraw/zinc/30/37/51/556303751.db2.gz AMWGFLXHALJOII-MRXNPFEDSA-N 0 0 443.452 4.050 50 0 IIAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)cc1 ZINC000009805620 556309404 /nfs/dbraw/zinc/30/94/04/556309404.db2.gz KPWOTSIBZDEYMI-ZHACJKMWSA-N 0 0 447.520 4.247 50 0 IIAARN CC(=O)c1cccc(NC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000009805722 556309430 /nfs/dbraw/zinc/30/94/30/556309430.db2.gz MKUGUSCTHBEBOQ-UHFFFAOYSA-N 0 0 441.734 4.197 50 0 IIAARN COc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cccc(C)c2)c2ccccc23)cc1 ZINC000009829952 556309964 /nfs/dbraw/zinc/30/99/64/556309964.db2.gz CQGBJYKVQWWISB-UHFFFAOYSA-N 0 0 445.504 4.171 50 0 IIAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCc3cccnc3)n2n1 ZINC000009831113 556312721 /nfs/dbraw/zinc/31/27/21/556312721.db2.gz GZIVGOQFXSZSMK-UHFFFAOYSA-N 0 0 434.507 4.185 50 0 IIAARN O=C(Nc1cc(NC(=O)[C@@H]2CCCO2)cc(-c2nc3ccccc3s2)c1)[C@H]1CCCO1 ZINC000013844349 556318415 /nfs/dbraw/zinc/31/84/15/556318415.db2.gz WQCCJIULDDSDAQ-KDURUIRLSA-N 0 0 437.521 4.198 50 0 IIAARN CS(=O)(=O)n1nc(-c2cccs2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000013844090 556318467 /nfs/dbraw/zinc/31/84/67/556318467.db2.gz FFQGFRNVTQULHG-UHFFFAOYSA-N 0 0 440.550 4.005 50 0 IIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009971364 556319202 /nfs/dbraw/zinc/31/92/02/556319202.db2.gz TWONQMWRWNDDAC-UHFFFAOYSA-N 0 0 443.569 4.098 50 0 IIAARN COC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000013856351 556321184 /nfs/dbraw/zinc/32/11/84/556321184.db2.gz GTBQTHLNFDWJSF-JOCHJYFZSA-N 0 0 436.489 4.093 50 0 IIAARN O=C(CCCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000013857182 556321465 /nfs/dbraw/zinc/32/14/65/556321465.db2.gz GUJZDEZJXREMKL-UHFFFAOYSA-N 0 0 435.432 4.034 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nc3c(C)cccc3c(=O)[nH]1)CC2 ZINC000032753418 556322533 /nfs/dbraw/zinc/32/25/33/556322533.db2.gz IBBKYZLZIUBOKO-SANMLTNESA-N 0 0 441.531 4.396 50 0 IIAARN COCCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccccc1 ZINC000010059679 556324083 /nfs/dbraw/zinc/32/40/83/556324083.db2.gz PXTUVJXOWALWBT-HXUWFJFHSA-N 0 0 436.537 4.049 50 0 IIAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000010060073 556324376 /nfs/dbraw/zinc/32/43/76/556324376.db2.gz GFOBLNPSWIGXKR-UHFFFAOYSA-N 0 0 444.314 4.185 50 0 IIAARN COc1ccc(-c2nn3c(COc4ccc(Br)cc4)nnc3s2)cc1OC ZINC000010312074 556330353 /nfs/dbraw/zinc/33/03/53/556330353.db2.gz CVGKOUNRBALKFY-UHFFFAOYSA-N 0 0 447.314 4.212 50 0 IIAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000013898308 556330508 /nfs/dbraw/zinc/33/05/08/556330508.db2.gz HQTRVSYOHQCDRZ-UHFFFAOYSA-N 0 0 431.341 4.285 50 0 IIAARN COc1ccc([C@H]2CCCN2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768771 556333539 /nfs/dbraw/zinc/33/35/39/556333539.db2.gz HGWDSBCBJGIBTH-HSZRJFAPSA-N 0 0 447.535 4.018 50 0 IIAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000032556514 556334162 /nfs/dbraw/zinc/33/41/62/556334162.db2.gz VJCYUQMDPDBZMU-UHFFFAOYSA-N 0 0 428.583 4.400 50 0 IIAARN CN(CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(=O)Nc1cccc(F)c1 ZINC000032769781 556334198 /nfs/dbraw/zinc/33/41/98/556334198.db2.gz SPHXQZVMJDAOKK-UHFFFAOYSA-N 0 0 436.409 4.398 50 0 IIAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032772723 556335615 /nfs/dbraw/zinc/33/56/15/556335615.db2.gz BWSAMBZBNYDEKT-IBGZPJMESA-N 0 0 430.533 4.320 50 0 IIAARN CCOC(=O)CC[C@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000013943014 556340398 /nfs/dbraw/zinc/34/03/98/556340398.db2.gz SJMJOSGSLFDXDX-KRWDZBQOSA-N 0 0 428.554 4.136 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCCOc4ccccc4)s3)CC2=O)cc1 ZINC000013944447 556341687 /nfs/dbraw/zinc/34/16/87/556341687.db2.gz KJNPNJDZZHQCSB-QGZVFWFLSA-N 0 0 436.537 4.165 50 0 IIAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1 ZINC000013944466 556341703 /nfs/dbraw/zinc/34/17/03/556341703.db2.gz FMHBTJPLXMSYCO-KRWDZBQOSA-N 0 0 436.537 4.029 50 0 IIAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CSCc4ccccc4)s3)CC2=O)cc1 ZINC000013944481 556342044 /nfs/dbraw/zinc/34/20/44/556342044.db2.gz HSPGAKJKSNBIET-QGZVFWFLSA-N 0 0 438.578 4.239 50 0 IIAARN COc1ccc([C@@H](O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000013957427 556345274 /nfs/dbraw/zinc/34/52/74/556345274.db2.gz HKOODBATRGWRRN-JOCHJYFZSA-N 0 0 425.868 4.454 50 0 IIAARN Cn1nc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c(Cl)c1C(F)(F)F ZINC000013958325 556346010 /nfs/dbraw/zinc/34/60/10/556346010.db2.gz KGKLFRCOTXPYQM-UHFFFAOYSA-N 0 0 427.858 4.466 50 0 IIAARN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(C)c21 ZINC000013960108 556347293 /nfs/dbraw/zinc/34/72/93/556347293.db2.gz QQSQUULTQWRPQB-QMMMGPOBSA-N 0 0 443.426 4.283 50 0 IIAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000011753526 556348866 /nfs/dbraw/zinc/34/88/66/556348866.db2.gz VQXVOMXPHYOLDE-DEOSSOPVSA-N 0 0 447.478 4.010 50 0 IIAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781493 556349260 /nfs/dbraw/zinc/34/92/60/556349260.db2.gz OVQYVZWCGVBGEM-LHSJRXKWSA-N 0 0 426.538 4.476 50 0 IIAARN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781495 556349541 /nfs/dbraw/zinc/34/95/41/556349541.db2.gz OVQYVZWCGVBGEM-SPLOXXLWSA-N 0 0 426.538 4.476 50 0 IIAARN Cc1ccccc1Cc1c(C(=O)N2CCC[C@@H](C)C2)c(=O)cc(C)n1Cc1ccccn1 ZINC000011788455 556354531 /nfs/dbraw/zinc/35/45/31/556354531.db2.gz NINWDAQJUHRUNX-LJQANCHMSA-N 0 0 429.564 4.371 50 0 IIAARN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000014011339 556355218 /nfs/dbraw/zinc/35/52/18/556355218.db2.gz ZCPCBJSVWDCRAR-UNOMPAQXSA-N 0 0 426.494 4.077 50 0 IIAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000011813471 556356865 /nfs/dbraw/zinc/35/68/65/556356865.db2.gz IIIHOALIOHBKQQ-INIZCTEOSA-N 0 0 432.952 4.152 50 0 IIAARN CC(C)[C@@H](NC(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 ZINC000014066571 556359146 /nfs/dbraw/zinc/35/91/46/556359146.db2.gz JCNHBOUGKUMTMU-LJQANCHMSA-N 0 0 444.582 4.300 50 0 IIAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC[C@H](c2ccccc2)CC1 ZINC000011816681 556359650 /nfs/dbraw/zinc/35/96/50/556359650.db2.gz TTZRSSFVDDZLHY-FQEVSTJZSA-N 0 0 443.507 4.244 50 0 IIAARN COc1ccc(CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@@H](C)Cc2cccs2)cc1 ZINC000014067830 556359663 /nfs/dbraw/zinc/35/96/63/556359663.db2.gz DYZRCHSKKOXNQY-SFHVURJKSA-N 0 0 447.560 4.127 50 0 IIAARN COc1cccc(OCc2cc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)no2)c1 ZINC000011818994 556360960 /nfs/dbraw/zinc/36/09/60/556360960.db2.gz VAUMHTPATODDGA-UHFFFAOYSA-N 0 0 426.860 4.064 50 0 IIAARN Cc1cccc(N2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)n1 ZINC000011842728 556365940 /nfs/dbraw/zinc/36/59/40/556365940.db2.gz BJISCGPOAPMEPU-UHFFFAOYSA-N 0 0 425.536 4.275 50 0 IIAARN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000014111596 556369731 /nfs/dbraw/zinc/36/97/31/556369731.db2.gz NURUDQWTNOKIRU-UHFFFAOYSA-N 0 0 448.954 4.196 50 0 IIAARN Cc1noc(C)c1CC(=O)N(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cccnc1 ZINC000011880625 556372588 /nfs/dbraw/zinc/37/25/88/556372588.db2.gz UYTNGDAQNLKYJA-HSZRJFAPSA-N 0 0 435.524 4.016 50 0 IIAARN O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000014129258 556374462 /nfs/dbraw/zinc/37/44/62/556374462.db2.gz UWGZPBJCLKJJLE-NRFANRHFSA-N 0 0 441.531 4.070 50 0 IIAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)CSc1ccncc1)C2 ZINC000011909338 556374714 /nfs/dbraw/zinc/37/47/14/556374714.db2.gz HCAHCZMZSSHNRC-GOSISDBHSA-N 0 0 448.544 4.056 50 0 IIAARN Cc1cccc(-c2nnc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000014138718 556375792 /nfs/dbraw/zinc/37/57/92/556375792.db2.gz OZLFWSVGTAXKLZ-GOSISDBHSA-N 0 0 437.521 4.272 50 0 IIAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)N(Cc1ccco1)C1=CCCCC1 ZINC000014142231 556377142 /nfs/dbraw/zinc/37/71/42/556377142.db2.gz GYVBTLBNCCJTLF-UHFFFAOYSA-N 0 0 429.933 4.488 50 0 IIAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(Sc4ncccn4)c23)c1 ZINC000014142356 556377173 /nfs/dbraw/zinc/37/71/73/556377173.db2.gz IPVFINXOEUUWGF-UHFFFAOYSA-N 0 0 427.580 4.193 50 0 IIAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1nc2ccccc2s1 ZINC000014166939 556379781 /nfs/dbraw/zinc/37/97/81/556379781.db2.gz KUYGQHBANKYYDG-UHFFFAOYSA-N 0 0 444.969 4.327 50 0 IIAARN Cc1c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000014169061 556380907 /nfs/dbraw/zinc/38/09/07/556380907.db2.gz VYDYNDZEKVANKD-UHFFFAOYSA-N 0 0 440.429 4.052 50 0 IIAARN C[C@H]1CN(CC(=O)NCc2nc(-c3ccccc3)cs2)Cc2cc(Cl)ccc2O1 ZINC000011965042 556381856 /nfs/dbraw/zinc/38/18/56/556381856.db2.gz CQLNNXBURMQOKQ-HNNXBMFYSA-N 0 0 427.957 4.363 50 0 IIAARN COc1ccccc1CNc1nc(-c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cs1 ZINC000014171372 556381898 /nfs/dbraw/zinc/38/18/98/556381898.db2.gz TURDAMMAYFMINH-KRWDZBQOSA-N 0 0 431.583 4.209 50 0 IIAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000014183360 556383432 /nfs/dbraw/zinc/38/34/32/556383432.db2.gz NXLQVLNVHIZUKW-UHFFFAOYSA-N 0 0 445.592 4.116 50 0 IIAARN Cc1c2ccccc2sc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000014186728 556386428 /nfs/dbraw/zinc/38/64/28/556386428.db2.gz WKGBUXIWEMRSRO-UHFFFAOYSA-N 0 0 427.957 4.260 50 0 IIAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)c(C)c2)cc1OC ZINC000014187384 556386656 /nfs/dbraw/zinc/38/66/56/556386656.db2.gz UQSKZOANXDGRJD-KRWDZBQOSA-N 0 0 440.359 4.301 50 0 IIAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000012024088 556387453 /nfs/dbraw/zinc/38/74/53/556387453.db2.gz FIRDFXTUIIVHKZ-XMMPIXPASA-N 0 0 437.927 4.311 50 0 IIAARN Cc1ccc(-c2noc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)n2)cc1F ZINC000014196545 556388118 /nfs/dbraw/zinc/38/81/18/556388118.db2.gz SNLZGZJIMRUWCF-UHFFFAOYSA-N 0 0 428.514 4.274 50 0 IIAARN Cc1ccccc1[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)C1 ZINC000012034525 556389117 /nfs/dbraw/zinc/38/91/17/556389117.db2.gz BBPVKEMEMYRUQT-JIPXPUAJSA-N 0 0 448.563 4.101 50 0 IIAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1nnc(SCc2ccc(F)cc2)n1C ZINC000012034538 556389145 /nfs/dbraw/zinc/38/91/45/556389145.db2.gz HFNRLSFKAINNMO-UHFFFAOYSA-N 0 0 437.500 4.140 50 0 IIAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 ZINC000012062130 556395498 /nfs/dbraw/zinc/39/54/98/556395498.db2.gz RMZANCDJMJIQGL-HXUWFJFHSA-N 0 0 430.552 4.268 50 0 IIAARN COc1cccc(-c2nn(CN3CCC[C@H]3c3cc(OC)ccc3OC)c(=S)n2C)c1 ZINC000014229692 556396724 /nfs/dbraw/zinc/39/67/24/556396724.db2.gz XNLXGRXVONEUKH-FQEVSTJZSA-N 0 0 440.569 4.438 50 0 IIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000014233965 556398820 /nfs/dbraw/zinc/39/88/20/556398820.db2.gz FDYWMVXVHFADLH-UHFFFAOYSA-N 0 0 433.552 4.103 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCSc3ccccc32)cc1 ZINC000014240862 556401220 /nfs/dbraw/zinc/40/12/20/556401220.db2.gz GEJDICJNOWDJRU-KRWDZBQOSA-N 0 0 430.595 4.392 50 0 IIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000014242220 556402656 /nfs/dbraw/zinc/40/26/56/556402656.db2.gz DYHRPIVKVLSNED-QGZVFWFLSA-N 0 0 440.487 4.316 50 0 IIAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccc2c(c1)OCCCO2 ZINC000014242610 556403155 /nfs/dbraw/zinc/40/31/55/556403155.db2.gz LRKHPGGTTBKUNR-UHFFFAOYSA-N 0 0 436.464 4.308 50 0 IIAARN Cc1ccc(C)c(-c2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c3ccccc32)c1 ZINC000014242941 556403400 /nfs/dbraw/zinc/40/34/00/556403400.db2.gz MGWQBGZXRWQQJW-UHFFFAOYSA-N 0 0 441.487 4.090 50 0 IIAARN CN(Cc1ccc(Br)s1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000014244924 556404719 /nfs/dbraw/zinc/40/47/19/556404719.db2.gz UGZJSKBRBLPSRK-UHFFFAOYSA-N 0 0 442.423 4.427 50 0 IIAARN COC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000032578548 556405299 /nfs/dbraw/zinc/40/52/99/556405299.db2.gz QNTRVMRUCXEHPA-UHFFFAOYSA-N 0 0 429.432 4.208 50 0 IIAARN COc1ccc([C@H]2CCCCCN2C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000014246461 556406284 /nfs/dbraw/zinc/40/62/84/556406284.db2.gz QYXMFJHTGWZKEW-HSZRJFAPSA-N 0 0 444.597 4.124 50 0 IIAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(C)cc3C)n2)c1 ZINC000032593895 556407489 /nfs/dbraw/zinc/40/74/89/556407489.db2.gz WGGVNLJCJVNPOO-UHFFFAOYSA-N 0 0 430.913 4.248 50 0 IIAARN CN(Cc1ccccc1)C(=O)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1 ZINC000032616677 556409129 /nfs/dbraw/zinc/40/91/29/556409129.db2.gz HUWVIVLPBNMNND-UHFFFAOYSA-N 0 0 429.929 4.178 50 0 IIAARN CC(C)(C)c1ccc(OCCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000014251718 556409290 /nfs/dbraw/zinc/40/92/90/556409290.db2.gz QIPMNDUANPWWRR-UHFFFAOYSA-N 0 0 427.526 4.024 50 0 IIAARN O=C(NCCc1nnc2n1CCCCC2)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000014254055 556410093 /nfs/dbraw/zinc/41/00/93/556410093.db2.gz GCCHPQLQCKDHJV-UHFFFAOYSA-N 0 0 429.499 4.331 50 0 IIAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3Br)n2)o1 ZINC000014253691 556410186 /nfs/dbraw/zinc/41/01/86/556410186.db2.gz OAJCQJUUMLNJAO-UHFFFAOYSA-N 0 0 438.278 4.193 50 0 IIAARN COc1ccc(-c2nc(CN3C(=O)[C@@H](C)N(c4ccc(C)cc4)C3=O)cs2)cc1OC ZINC000014264103 556411154 /nfs/dbraw/zinc/41/11/54/556411154.db2.gz YFAPJNRWNWCMJR-OAHLLOKOSA-N 0 0 437.521 4.493 50 0 IIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)s2)o1 ZINC000032821745 556412737 /nfs/dbraw/zinc/41/27/37/556412737.db2.gz FLWFELOTGMJMHZ-UHFFFAOYSA-N 0 0 425.558 4.204 50 0 IIAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(F)c(F)c1 ZINC000012940062 556416460 /nfs/dbraw/zinc/41/64/60/556416460.db2.gz IDEPTBNXGPBPKP-CYBMUJFWSA-N 0 0 430.524 4.464 50 0 IIAARN COc1cccc(N2C[C@H](C(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2=O)c1 ZINC000012971436 556418747 /nfs/dbraw/zinc/41/87/47/556418747.db2.gz VSWWKQLHPRCWRH-HOYKHHGWSA-N 0 0 432.545 4.284 50 0 IIAARN CS(=O)(=O)c1ccc2nc(NC(=O)CSCc3ccc(Cl)cc3)sc2c1 ZINC000014462588 556419126 /nfs/dbraw/zinc/41/91/26/556419126.db2.gz ZZXIKKZCVQNAKQ-UHFFFAOYSA-N 0 0 426.972 4.225 50 0 IIAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012973767 556419907 /nfs/dbraw/zinc/41/99/07/556419907.db2.gz BKQKGPVKZXQATL-KRWDZBQOSA-N 0 0 438.343 4.136 50 0 IIAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012977653 556422569 /nfs/dbraw/zinc/42/25/69/556422569.db2.gz DQYJTQQKAFUGCF-MRXNPFEDSA-N 0 0 430.551 4.041 50 0 IIAARN Cc1ccc(C)n1-c1sc(C)c(C)c1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000012982120 556424920 /nfs/dbraw/zinc/42/49/20/556424920.db2.gz QFQZLOPPHGCNGT-UHFFFAOYSA-N 0 0 430.599 4.313 50 0 IIAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCS[C@@H]1c1ccccc1F ZINC000012983393 556425663 /nfs/dbraw/zinc/42/56/63/556425663.db2.gz FFZJMPLCZPUANP-HXUWFJFHSA-N 0 0 441.557 4.180 50 0 IIAARN Cc1cccc(-n2c(SCC(=O)NC(C)C)nc3sc4c(c3c2=O)CCCS4)c1 ZINC000012985427 556426558 /nfs/dbraw/zinc/42/65/58/556426558.db2.gz FYQLODMXCSNTFH-UHFFFAOYSA-N 0 0 445.635 4.411 50 0 IIAARN 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446.627 4.270 50 0 IIAARN COc1cc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)ccc1OCc1ccccc1 ZINC000029074308 556466602 /nfs/dbraw/zinc/46/66/02/556466602.db2.gz QTEAXBSVSUCGBW-FQEVSTJZSA-N 0 0 428.492 4.294 50 0 IIAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2cc(F)ccc2s1 ZINC000013114593 556467125 /nfs/dbraw/zinc/46/71/25/556467125.db2.gz BHIFXGIAZFPJNC-UHFFFAOYSA-N 0 0 445.475 4.181 50 0 IIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000013115132 556467849 /nfs/dbraw/zinc/46/78/49/556467849.db2.gz AGHUSJARHUWIAC-UHFFFAOYSA-N 0 0 433.493 4.221 50 0 IIAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)CCCC2 ZINC000013115817 556468246 /nfs/dbraw/zinc/46/82/46/556468246.db2.gz BJEQEOYPJAFCSG-CQSZACIVSA-N 0 0 437.521 4.314 50 0 IIAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NC1CCCCCC1 ZINC000013117664 556470411 /nfs/dbraw/zinc/47/04/11/556470411.db2.gz UKXKYODAGKGKFM-IBGZPJMESA-N 0 0 432.565 4.194 50 0 IIAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)c2c(=O)[nH]c(SCC(C)C)nc2N1 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Cc1nc2c(cc(OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c3ccsc32)s1 ZINC000013131828 556480726 /nfs/dbraw/zinc/48/07/26/556480726.db2.gz GDDCMXVCSLDAOF-UHFFFAOYSA-N 0 0 443.525 4.434 50 0 IIAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1N1CCCCC1 ZINC000029754601 556481594 /nfs/dbraw/zinc/48/15/94/556481594.db2.gz LKQOGFGJVNUFFI-AREMUKBSSA-N 0 0 446.551 4.005 50 0 IIAARN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000015012860 556484094 /nfs/dbraw/zinc/48/40/94/556484094.db2.gz CXJOEUXJLNWWMP-NDENLUEZSA-N 0 0 440.521 4.466 50 0 IIAARN O=c1[nH]c2ccc(N(Cc3ccc(F)cc3)S(=O)(=O)c3cccc(Cl)c3F)cc2[nH]1 ZINC000072290517 556486487 /nfs/dbraw/zinc/48/64/87/556486487.db2.gz IEPZDMOYKFXRMP-UHFFFAOYSA-N 0 0 449.866 4.183 50 0 IIAARN O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F ZINC000013142015 556487156 /nfs/dbraw/zinc/48/71/56/556487156.db2.gz MOPFHGRAUIAKGY-UHFFFAOYSA-N 0 0 432.192 4.029 50 0 IIAARN Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n(-c2ccccc2)n1 ZINC000013163537 556494004 /nfs/dbraw/zinc/49/40/04/556494004.db2.gz GFCNAGKWGPTPOP-NRFANRHFSA-N 0 0 432.524 4.118 50 0 IIAARN Cc1cccc(Cn2nccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 ZINC000030527488 556497089 /nfs/dbraw/zinc/49/70/89/556497089.db2.gz BKCDIOVDNJNHNQ-UHFFFAOYSA-N 0 0 435.505 4.059 50 0 IIAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4OC)CC3)c(C)o2)c(C)c1C ZINC000015074005 556498149 /nfs/dbraw/zinc/49/81/49/556498149.db2.gz LLKSTPQHFDRVQR-UHFFFAOYSA-N 0 0 449.551 4.242 50 0 IIAARN C[C@@H](NC(=O)CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000030590199 556499036 /nfs/dbraw/zinc/49/90/36/556499036.db2.gz WHRKBRQAMNEMOE-IEBWSBKVSA-N 0 0 428.964 4.193 50 0 IIAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCc2scnc2C)C1 ZINC000015079535 556500259 /nfs/dbraw/zinc/50/02/59/556500259.db2.gz AJIIAZIPCXVQKP-QFIPXVFZSA-N 0 0 434.989 4.452 50 0 IIAARN COc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CC[C@@H](C)C2 ZINC000004554402 556503110 /nfs/dbraw/zinc/50/31/10/556503110.db2.gz MJFNGYLTTIRYDY-OAHLLOKOSA-N 0 0 427.570 4.168 50 0 IIAARN COc1ccc([C@H](NC(=O)c2ccco2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000015108682 556504556 /nfs/dbraw/zinc/50/45/56/556504556.db2.gz STZQSTSYRLJMKI-QHCPKHFHSA-N 0 0 448.475 4.382 50 0 IIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000015150966 556506522 /nfs/dbraw/zinc/50/65/22/556506522.db2.gz KBFWUHYAOZTMSC-CQSZACIVSA-N 0 0 428.485 4.102 50 0 IIAARN Cc1sc2nc(C)nc(N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2c1C ZINC000032717228 556509121 /nfs/dbraw/zinc/50/91/21/556509121.db2.gz NEZSPKGRUYEFFU-UHFFFAOYSA-N 0 0 429.977 4.031 50 0 IIAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)c1ccccn1 ZINC000032885670 556510103 /nfs/dbraw/zinc/51/01/03/556510103.db2.gz QMBQXDBDQIGEMO-UHFFFAOYSA-N 0 0 449.576 4.032 50 0 IIAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)c1 ZINC000013519071 556511686 /nfs/dbraw/zinc/51/16/86/556511686.db2.gz WCEPPTODLXNMTF-UHFFFAOYSA-N 0 0 429.523 4.156 50 0 IIAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(C)c1 ZINC000030937589 556515313 /nfs/dbraw/zinc/51/53/13/556515313.db2.gz DMENJXBEEUPIGW-JOCHJYFZSA-N 0 0 425.492 4.165 50 0 IIAARN CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)N1CCCCCC1 ZINC000032895625 556515339 /nfs/dbraw/zinc/51/53/39/556515339.db2.gz OAUJXRSNMZXJEP-UHFFFAOYSA-N 0 0 430.599 4.153 50 0 IIAARN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011072477 556518344 /nfs/dbraw/zinc/51/83/44/556518344.db2.gz IHRWHXKXSRGVLB-UHFFFAOYSA-N 0 0 427.426 4.232 50 0 IIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000032891662 556519631 /nfs/dbraw/zinc/51/96/31/556519631.db2.gz OSLFVVOXEJYUFG-XZOQPEGZSA-N 0 0 434.536 4.198 50 0 IIAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013568051 556520644 /nfs/dbraw/zinc/52/06/44/556520644.db2.gz QYVQXMSJVMXAFT-UHFFFAOYSA-N 0 0 435.436 4.177 50 0 IIAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000013568376 556520958 /nfs/dbraw/zinc/52/09/58/556520958.db2.gz RMXOIUOIEFOFPX-UHFFFAOYSA-N 0 0 439.002 4.410 50 0 IIAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000015419203 556526763 /nfs/dbraw/zinc/52/67/63/556526763.db2.gz BHBDJCJVUUBALW-MRXNPFEDSA-N 0 0 436.394 4.023 50 0 IIAARN CCCCCCOc1ccc([C@H]2C(C(=O)OCCC)C(C)=Nc3ncnn32)cc1OC ZINC000004424090 556526887 /nfs/dbraw/zinc/52/68/87/556526887.db2.gz FKYOUPWTCLIMDJ-NRFANRHFSA-N 0 0 428.533 4.488 50 0 IIAARN COc1cc(Br)c([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000015503804 556531735 /nfs/dbraw/zinc/53/17/35/556531735.db2.gz GMSKMULBDRXQQO-RBZFPXEDSA-N 0 0 447.329 4.212 50 0 IIAARN Cc1ccc2c(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cc(=O)oc2c1C ZINC000015546073 556534149 /nfs/dbraw/zinc/53/41/49/556534149.db2.gz BHTHJIYLGBIVTH-HSZRJFAPSA-N 0 0 432.520 4.190 50 0 IIAARN C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000032901994 556538679 /nfs/dbraw/zinc/53/86/79/556538679.db2.gz VMVDEZSJJOBJDX-ZDUSSCGKSA-N 0 0 435.446 4.447 50 0 IIAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000015640865 556540002 /nfs/dbraw/zinc/54/00/02/556540002.db2.gz SXFDDJMULHVYTO-UHFFFAOYSA-N 0 0 428.414 4.199 50 0 IIAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 ZINC000032622381 556542869 /nfs/dbraw/zinc/54/28/69/556542869.db2.gz ZSLKPRBZOVNIOQ-OAQYLSRUSA-N 0 0 425.916 4.107 50 0 IIAARN COc1cc(Cl)c(NC(=O)CCc2ccc3nc(NC(C)=O)sc3c2)c(OC)c1 ZINC000032959372 556547283 /nfs/dbraw/zinc/54/72/83/556547283.db2.gz GAEGQBCCAQRTEJ-UHFFFAOYSA-N 0 0 433.917 4.497 50 0 IIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000072303321 556547839 /nfs/dbraw/zinc/54/78/39/556547839.db2.gz GAKRHKARDSCTTB-NJYVYQBISA-N 0 0 449.938 4.201 50 0 IIAARN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCc2ccccc21 ZINC000032905610 556549165 /nfs/dbraw/zinc/54/91/65/556549165.db2.gz LOGBSGPICSCAFF-HXUWFJFHSA-N 0 0 432.973 4.274 50 0 IIAARN CCSc1nnc2c(n1)O[C@@H](c1cc(OC)ccc1OC)N(C(C)=O)c1ccccc1-2 ZINC000032997279 556551056 /nfs/dbraw/zinc/55/10/56/556551056.db2.gz NDQNDHAFUWLUSV-NRFANRHFSA-N 0 0 438.509 4.112 50 0 IIAARN CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc12 ZINC000015780221 556551533 /nfs/dbraw/zinc/55/15/33/556551533.db2.gz GSLOPBDSVMFGMS-UHFFFAOYSA-N 0 0 434.370 4.221 50 0 IIAARN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000032906265 556551880 /nfs/dbraw/zinc/55/18/80/556551880.db2.gz ZLQJDBLNIHNPTK-GOSISDBHSA-N 0 0 444.915 4.495 50 0 IIAARN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000032906266 556552200 /nfs/dbraw/zinc/55/22/00/556552200.db2.gz ZLQJDBLNIHNPTK-SFHVURJKSA-N 0 0 444.915 4.495 50 0 IIAARN COc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=N)NC1=O ZINC000015800330 556552662 /nfs/dbraw/zinc/55/26/62/556552662.db2.gz CREWQCBTWHWZHO-BOPFTXTBSA-N 0 0 449.326 4.054 50 0 IIAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccccc1OC ZINC000033114923 556554238 /nfs/dbraw/zinc/55/42/38/556554238.db2.gz UNSMPCWVNMZSOG-UHFFFAOYSA-N 0 0 433.331 4.473 50 0 IIAARN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033115368 556554924 /nfs/dbraw/zinc/55/49/24/556554924.db2.gz MQVXERSRULNKIL-QGZVFWFLSA-N 0 0 426.582 4.313 50 0 IIAARN Cc1cc(C)n(C(=C(/C(Cl)=C(/Cl)Br)[N+](=O)[O-])n2nc(C)cc2C)n1 ZINC000033151444 556556408 /nfs/dbraw/zinc/55/64/08/556556408.db2.gz IFNHSMWUIWBLCL-QBFSEMIESA-N 0 0 435.109 4.123 50 0 IIAARN Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccco5)C4)nccn3n2)cc1C ZINC000033266377 556557578 /nfs/dbraw/zinc/55/75/78/556557578.db2.gz OSYKYYOCBLWNPP-HXUWFJFHSA-N 0 0 429.524 4.139 50 0 IIAARN O=C(NC1CCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274586 556558716 /nfs/dbraw/zinc/55/87/16/556558716.db2.gz DIEWIOWJZDBTGZ-UHFFFAOYSA-N 0 0 436.936 4.370 50 0 IIAARN CCCCN1c2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2S(=O)(=O)N=C1C ZINC000015867644 556559336 /nfs/dbraw/zinc/55/93/36/556559336.db2.gz IEKLJMNNNNRPJI-UHFFFAOYSA-N 0 0 435.933 4.328 50 0 IIAARN CCCN1c2ccc(C(=O)Nc3ccc(Br)cc3)cc2S(=O)(=O)N=C1C ZINC000015867572 556559392 /nfs/dbraw/zinc/55/93/92/556559392.db2.gz WDDZPIPDICCPIR-UHFFFAOYSA-N 0 0 436.331 4.039 50 0 IIAARN CCCN1c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2S(=O)(=O)N=C1C ZINC000015867591 556559429 /nfs/dbraw/zinc/55/94/29/556559429.db2.gz TXPDCSHFMVUDPR-UHFFFAOYSA-N 0 0 439.581 4.119 50 0 IIAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-n2cccc2)c1 ZINC000015881971 556560934 /nfs/dbraw/zinc/56/09/34/556560934.db2.gz JTCPUCZCSQUMRZ-UHFFFAOYSA-N 0 0 433.537 4.414 50 0 IIAARN COc1ccc(Br)cc1[C@@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000072307059 556561202 /nfs/dbraw/zinc/56/12/02/556561202.db2.gz USOBOBZTFKRWDH-HNNXBMFYSA-N 0 0 443.219 4.270 50 0 IIAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000015913804 556563416 /nfs/dbraw/zinc/56/34/16/556563416.db2.gz OPBPBFVSRJRWAD-UHFFFAOYSA-N 0 0 428.517 4.411 50 0 IIAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000015943805 556566645 /nfs/dbraw/zinc/56/66/45/556566645.db2.gz IGYJPMQNJMAAKJ-CZOVOBHWSA-N 0 0 443.613 4.014 50 0 IIAARN COc1cc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(OC)cc1Cl ZINC000015970412 556569776 /nfs/dbraw/zinc/56/97/76/556569776.db2.gz VHUBXNDVYCQWKD-UHFFFAOYSA-N 0 0 435.885 4.176 50 0 IIAARN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCCC[C@H]3c3cccn3C)[nH]c(=O)c2c1C ZINC000072309249 556570520 /nfs/dbraw/zinc/57/05/20/556570520.db2.gz HJXIUAGICUXAJD-RDJZCZTQSA-N 0 0 444.626 4.315 50 0 IIAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000015982120 556570928 /nfs/dbraw/zinc/57/09/28/556570928.db2.gz RNKBTSYQEYHBHL-UHFFFAOYSA-N 0 0 438.340 4.325 50 0 IIAARN CC[C@H](Sc1nnc(NC(=O)c2ccccc2Cl)s1)C(=O)Nc1nccs1 ZINC000002848169 556572866 /nfs/dbraw/zinc/57/28/66/556572866.db2.gz OJBYFKPCRMSSFP-NSHDSACASA-N 0 0 439.975 4.410 50 0 IIAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033519 556577070 /nfs/dbraw/zinc/57/70/70/556577070.db2.gz IKIRQWQLCVIEQX-PLACYPQZSA-N 0 0 434.923 4.471 50 0 IIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1CC(=O)Nc1cccc(Cl)c1C ZINC000071327019 556580661 /nfs/dbraw/zinc/58/06/61/556580661.db2.gz FFNGNMNQXLMWSN-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN COCC(=O)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccccc32)C[C@@H]1C ZINC000034812694 556582968 /nfs/dbraw/zinc/58/29/68/556582968.db2.gz HVWVEYXGJOXNSO-AWEZNQCLSA-N 0 0 433.430 4.069 50 0 IIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(F)cc1)CC2 ZINC000034886224 556585576 /nfs/dbraw/zinc/58/55/76/556585576.db2.gz KYRKJKKUBBIVEH-HSZRJFAPSA-N 0 0 426.513 4.491 50 0 IIAARN COc1cccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)COC23CCC(C)CC3)c1 ZINC000034921055 556586585 /nfs/dbraw/zinc/58/65/85/556586585.db2.gz LHKLNMPYVYWBIM-BFDGSKQISA-N 0 0 426.488 4.220 50 0 IIAARN CC[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)cc2C1 ZINC000032969199 556588575 /nfs/dbraw/zinc/58/85/75/556588575.db2.gz BJVYYCADZVWQGJ-DYESRHJHSA-N 0 0 428.598 4.075 50 0 IIAARN O[C@H](COCc1ccccc1)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145871 556593809 /nfs/dbraw/zinc/59/38/09/556593809.db2.gz OAEOAMSQRAPKEH-DQEYMECFSA-N 0 0 448.538 4.399 50 0 IIAARN CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016248268 556594214 /nfs/dbraw/zinc/59/42/14/556594214.db2.gz KCQRVMDALSAFQD-UHFFFAOYSA-N 0 0 444.641 4.323 50 0 IIAARN COc1ccccc1CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036246504 556595278 /nfs/dbraw/zinc/59/52/78/556595278.db2.gz PTDUIWXEWSQKAO-UHFFFAOYSA-N 0 0 427.522 4.416 50 0 IIAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(Sc4ccc(C)cc4)nn3)C2)c1 ZINC000032974814 556595851 /nfs/dbraw/zinc/59/58/51/556595851.db2.gz BYXJDCASMLFQJI-FQEVSTJZSA-N 0 0 448.592 4.478 50 0 IIAARN COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 ZINC000032974830 556596003 /nfs/dbraw/zinc/59/60/03/556596003.db2.gz HYHJDRRBFNGTAY-INIZCTEOSA-N 0 0 440.594 4.231 50 0 IIAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000016293033 556598427 /nfs/dbraw/zinc/59/84/27/556598427.db2.gz MFRWMGIFBSHTDM-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C3CCCCC3)ccc2c1 ZINC000016295558 556598864 /nfs/dbraw/zinc/59/88/64/556598864.db2.gz BQVBEDMJYSQABZ-UHFFFAOYSA-N 0 0 425.558 4.091 50 0 IIAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)/C=C/c3ccccc3)[C@H](C)C2)ncn1 ZINC000037355984 556601880 /nfs/dbraw/zinc/60/18/80/556601880.db2.gz QKMRCRHYIPIWTP-ZAHGZRRWSA-N 0 0 444.535 4.336 50 0 IIAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000032983436 556602150 /nfs/dbraw/zinc/60/21/50/556602150.db2.gz YTZRTMBYMYSQLB-UHFFFAOYSA-N 0 0 440.550 4.139 50 0 IIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCN(c2ccccn2)CC1 ZINC000016361125 556602272 /nfs/dbraw/zinc/60/22/72/556602272.db2.gz BVRPXQHKSWZJPF-UHFFFAOYSA-N 0 0 438.578 4.116 50 0 IIAARN Cc1cccc(C)c1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000016362266 556602897 /nfs/dbraw/zinc/60/28/97/556602897.db2.gz KRACMPMEJDXQGY-UHFFFAOYSA-N 0 0 434.867 4.380 50 0 IIAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000016426832 556606806 /nfs/dbraw/zinc/60/68/06/556606806.db2.gz FWBOTEBIDXONKJ-UHFFFAOYSA-N 0 0 440.521 4.090 50 0 IIAARN CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000016447708 556608040 /nfs/dbraw/zinc/60/80/40/556608040.db2.gz BYIRPHVDXMIYCL-GOSISDBHSA-N 0 0 432.929 4.133 50 0 IIAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000032987766 556608180 /nfs/dbraw/zinc/60/81/80/556608180.db2.gz SSCAQHSPVZYCHS-UHFFFAOYSA-N 0 0 444.944 4.092 50 0 IIAARN CCc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000032987833 556608217 /nfs/dbraw/zinc/60/82/17/556608217.db2.gz HSTPTTDYVMOQCN-UHFFFAOYSA-N 0 0 438.553 4.001 50 0 biogenic IIAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccc(F)cc1 ZINC000032995208 556610427 /nfs/dbraw/zinc/61/04/27/556610427.db2.gz TVXAVNBEWDMIOM-UHFFFAOYSA-N 0 0 432.908 4.222 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000016641596 556619800 /nfs/dbraw/zinc/61/98/00/556619800.db2.gz ZCPTVUPQRWNZOZ-FQEVSTJZSA-N 0 0 434.521 4.248 50 0 IIAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)c1 ZINC000005025820 556622677 /nfs/dbraw/zinc/62/26/77/556622677.db2.gz PXFXQRAUFZURJT-UHFFFAOYSA-N 0 0 425.558 4.300 50 0 IIAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000016680135 556623464 /nfs/dbraw/zinc/62/34/64/556623464.db2.gz FWTIYVOJYYECAQ-UHFFFAOYSA-N 0 0 430.489 4.056 50 0 IIAARN CC[C@@H](C)C(=O)Nc1c2cc(N[C@@H](C)CC)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000039344768 556627969 /nfs/dbraw/zinc/62/79/69/556627969.db2.gz RPASXPGIJORXDD-HLLBOEOZSA-N 0 0 430.549 4.197 50 0 IIAARN COC(=O)C1CCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016694674 556628202 /nfs/dbraw/zinc/62/82/02/556628202.db2.gz NNFHMVKZXGKQPO-QFIPXVFZSA-N 0 0 446.341 4.442 50 0 IIAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000097938715 556635000 /nfs/dbraw/zinc/63/50/00/556635000.db2.gz RZXWMJKYYSJAOA-FQEVSTJZSA-N 0 0 445.498 4.403 50 0 IIAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3n2)cc1OC ZINC000016742156 556636038 /nfs/dbraw/zinc/63/60/38/556636038.db2.gz OOFVSDBNHXCZSU-ZABCAIROSA-N 0 0 447.560 4.184 50 0 IIAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000016742080 556636052 /nfs/dbraw/zinc/63/60/52/556636052.db2.gz SDIBPYIVNRETRY-JOCHJYFZSA-N 0 0 443.430 4.464 50 0 IIAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000016749794 556636852 /nfs/dbraw/zinc/63/68/52/556636852.db2.gz YPBHVIDEWRHNLP-SFHVURJKSA-N 0 0 428.282 4.137 50 0 IIAARN COc1ccc(CCNc2oc(Cc3ccccc3)nc2P(=O)(OC)OC)cc1OC ZINC000016751750 556637619 /nfs/dbraw/zinc/63/76/19/556637619.db2.gz IYTOCRBFRFQGRA-UHFFFAOYSA-N 0 0 446.440 4.048 50 0 IIAARN COc1cccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016752778 556638139 /nfs/dbraw/zinc/63/81/39/556638139.db2.gz SPZAGIZRBDIOOY-IBGZPJMESA-N 0 0 441.549 4.196 50 0 IIAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccccc2F)cc1OCC ZINC000016753010 556638177 /nfs/dbraw/zinc/63/81/77/556638177.db2.gz RAGHFEOQLULXLG-INIZCTEOSA-N 0 0 429.448 4.469 50 0 IIAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(Br)c1)N(CCO)C3=O ZINC000016753316 556638543 /nfs/dbraw/zinc/63/85/43/556638543.db2.gz KMGVSOUYIWRAIK-QGZVFWFLSA-N 0 0 448.700 4.055 50 0 IIAARN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000016780198 556641314 /nfs/dbraw/zinc/64/13/14/556641314.db2.gz SQRGCHZBZSPRQB-UHFFFAOYSA-N 0 0 438.387 4.410 50 0 IIAARN CC(C)COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)OC(C)C)cc1 ZINC000005140427 556642241 /nfs/dbraw/zinc/64/22/41/556642241.db2.gz IBHBMNXVUNBLOC-JAIQZWGSSA-N 0 0 425.481 4.173 50 0 IIAARN CCN(CC(=O)N(C)C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000032921844 556642491 /nfs/dbraw/zinc/64/24/91/556642491.db2.gz RPYMSCKDZXTPBP-UHFFFAOYSA-N 0 0 440.341 4.215 50 0 IIAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000037556934 556645293 /nfs/dbraw/zinc/64/52/93/556645293.db2.gz QJFKRWQKJGPRIS-QHCPKHFHSA-N 0 0 426.532 4.243 50 0 IIAARN CC(C)CC(=O)N1CCc2ccc(OCC(=O)NCC3CC3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037603549 556645562 /nfs/dbraw/zinc/64/55/62/556645562.db2.gz RRLLNKBCNPPUNX-SANMLTNESA-N 0 0 438.543 4.251 50 0 IIAARN CCOc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 ZINC000016840876 556645891 /nfs/dbraw/zinc/64/58/91/556645891.db2.gz NTWIKLQZBCGKLC-UHFFFAOYSA-N 0 0 434.521 4.058 50 0 IIAARN COc1ccccc1CNC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000016841157 556645907 /nfs/dbraw/zinc/64/59/07/556645907.db2.gz RNNHLHODTHZDGF-UHFFFAOYSA-N 0 0 438.940 4.467 50 0 IIAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc2c(c1)OCCO2 ZINC000016841474 556646106 /nfs/dbraw/zinc/64/61/06/556646106.db2.gz OIIZHQPQTVLPAV-UHFFFAOYSA-N 0 0 436.468 4.037 50 0 IIAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nccn3n2)cc1 ZINC000016841678 556646135 /nfs/dbraw/zinc/64/61/35/556646135.db2.gz RKIASYMDWOALHR-UHFFFAOYSA-N 0 0 446.532 4.461 50 0 IIAARN C[C@H]1Cc2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726575 556647437 /nfs/dbraw/zinc/64/74/37/556647437.db2.gz QKZLYFHBXMAYOV-AWEZNQCLSA-N 0 0 441.553 4.198 50 0 IIAARN COc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)cc1 ZINC000038486922 556647442 /nfs/dbraw/zinc/64/74/42/556647442.db2.gz IZKBLYNKKHMERL-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000038486981 556647645 /nfs/dbraw/zinc/64/76/45/556647645.db2.gz JZSHQLBAFOVOAD-UHFFFAOYSA-N 0 0 444.520 4.092 50 0 IIAARN COC(=O)c1ccc(C)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000016884432 556648263 /nfs/dbraw/zinc/64/82/63/556648263.db2.gz IKNZWWXBNPHIHT-UHFFFAOYSA-N 0 0 430.504 4.426 50 0 IIAARN CC1CCN(c2nnc(SCc3cnn(-c4ccccc4)n3)n2Cc2ccco2)CC1 ZINC000032925524 556653267 /nfs/dbraw/zinc/65/32/67/556653267.db2.gz AQIDJORBVWFNCL-UHFFFAOYSA-N 0 0 435.557 4.029 50 0 IIAARN O=C(C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1)N1CCCCCC1 ZINC000033010179 556658154 /nfs/dbraw/zinc/65/81/54/556658154.db2.gz JTAKVRSUGKVLPG-UHFFFAOYSA-N 0 0 438.963 4.064 50 0 IIAARN O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000011835059 556659400 /nfs/dbraw/zinc/65/94/00/556659400.db2.gz MGOSSXPNLPHUKR-UHFFFAOYSA-N 0 0 429.885 4.349 50 0 IIAARN Cc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011575 556659556 /nfs/dbraw/zinc/65/95/56/556659556.db2.gz LWIULSRANGPXOM-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN COc1ccc(C)cc1NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011535 556659599 /nfs/dbraw/zinc/65/95/99/556659599.db2.gz CZCXNOYQCUTEJV-UHFFFAOYSA-N 0 0 448.957 4.492 50 0 IIAARN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccccc3Cl)s2)cc1 ZINC000033011693 556659615 /nfs/dbraw/zinc/65/96/15/556659615.db2.gz UHVIOAJYARQMQT-UHFFFAOYSA-N 0 0 432.958 4.161 50 0 IIAARN CN1C[C@H](c2ccccc2Cl)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000248080312 556661146 /nfs/dbraw/zinc/66/11/46/556661146.db2.gz OXKPSTZIEWTELD-BAEUJYSMSA-N 0 0 444.918 4.478 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1)c1ccccc1 ZINC000011854974 556662142 /nfs/dbraw/zinc/66/21/42/556662142.db2.gz KTPDEJDDWKDAOA-QGZVFWFLSA-N 0 0 433.537 4.433 50 0 IIAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2Cl)[nH]c(=O)c1C ZINC000011854912 556662155 /nfs/dbraw/zinc/66/21/55/556662155.db2.gz NUVQLHIFDRBKMU-UHFFFAOYSA-N 0 0 425.901 4.207 50 0 IIAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248107627 556662979 /nfs/dbraw/zinc/66/29/79/556662979.db2.gz IZPYYROFDDAJGI-NCOADZHNSA-N 0 0 433.597 4.299 50 0 IIAARN O=c1/c(=C/c2ccccc2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000017145748 556669939 /nfs/dbraw/zinc/66/99/39/556669939.db2.gz RSRANSZACLZMEK-LJJBLSSYSA-N 0 0 442.565 4.086 50 0 IIAARN CCc1ccc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011917410 556674700 /nfs/dbraw/zinc/67/47/00/556674700.db2.gz POKLOOJQUXABES-OAQYLSRUSA-N 0 0 438.549 4.042 50 0 IIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032932548 556675614 /nfs/dbraw/zinc/67/56/14/556675614.db2.gz UERUGNDQVFXMHD-LJQANCHMSA-N 0 0 431.565 4.357 50 0 IIAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)cc1 ZINC000100806450 556675639 /nfs/dbraw/zinc/67/56/39/556675639.db2.gz BJINCOHJTNDAJV-IBGZPJMESA-N 0 0 441.329 4.030 50 0 IIAARN COc1ccc(-c2nn(CN3CCN(c4nc5ccccc5s4)CC3)c(=S)o2)cc1 ZINC000032934452 556677525 /nfs/dbraw/zinc/67/75/25/556677525.db2.gz HWTJCDKWZOVWEY-UHFFFAOYSA-N 0 0 439.566 4.271 50 0 IIAARN COC(=O)c1sc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)nc1C ZINC000012016315 556681394 /nfs/dbraw/zinc/68/13/94/556681394.db2.gz ODEYGDPALFJALF-UHFFFAOYSA-N 0 0 446.488 4.320 50 0 IIAARN CCCOC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018141623 556684653 /nfs/dbraw/zinc/68/46/53/556684653.db2.gz ZUFHIOAKUMZURY-XNOWSJKESA-N 0 0 431.532 4.247 50 0 IIAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC[C@H]2C)cc1 ZINC000251473252 556689003 /nfs/dbraw/zinc/68/90/03/556689003.db2.gz LPGWRXCPBZMJIC-QMMLZNLJSA-N 0 0 433.581 4.414 50 0 IIAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ccn3n2)cc1 ZINC000046005058 556689022 /nfs/dbraw/zinc/68/90/22/556689022.db2.gz ATLFCEFFMSRGPE-UHFFFAOYSA-N 0 0 426.398 4.129 50 0 IIAARN O=c1c(=Cc2ccc(-c3ccc(F)cc3)o2)sc2nc3cc(Br)cnc3n12 ZINC000252677523 556694588 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O=C(CCN1C(=O)COc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000017365018 557074551 /nfs/dbraw/zinc/07/45/51/557074551.db2.gz VOEVJOWIZCVZLP-UHFFFAOYSA-N 0 0 433.430 4.060 50 0 IIAARN CCC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C ZINC000023223694 557074621 /nfs/dbraw/zinc/07/46/21/557074621.db2.gz JNQCMRUCBTVLBX-CYBMUJFWSA-N 0 0 440.407 4.212 50 0 IIAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1 ZINC000033292535 557076062 /nfs/dbraw/zinc/07/60/62/557076062.db2.gz XIYNHHGZWCQPLU-UHFFFAOYSA-N 0 0 440.594 4.410 50 0 IIAARN CCOC(=O)c1sc(NC(=O)c2cccnc2SCc2c(C)noc2C)nc1C ZINC000023245422 557077600 /nfs/dbraw/zinc/07/76/00/557077600.db2.gz MPUPYUKRSZNUOL-UHFFFAOYSA-N 0 0 432.527 4.173 50 0 IIAARN COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c1 ZINC000033299279 557077680 /nfs/dbraw/zinc/07/76/80/557077680.db2.gz UFFPPTBWJFRILZ-UHFFFAOYSA-N 0 0 432.445 4.217 50 0 IIAARN O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2cccc(Br)c2)no1 ZINC000033300474 557078217 /nfs/dbraw/zinc/07/82/17/557078217.db2.gz AWZSDUCAVBUMEQ-UHFFFAOYSA-N 0 0 429.661 4.365 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)nsc3c(=O)n2C)cc1 ZINC000033300265 557079483 /nfs/dbraw/zinc/07/94/83/557079483.db2.gz LOANWSQCUZFVER-UHFFFAOYSA-N 0 0 436.562 4.405 50 0 IIAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000011304005 557081882 /nfs/dbraw/zinc/08/18/82/557081882.db2.gz LWMNNVNHXIJYDV-QGZVFWFLSA-N 0 0 441.578 4.395 50 0 IIAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCCC(C)C)C2)c1 ZINC000033302554 557083636 /nfs/dbraw/zinc/08/36/36/557083636.db2.gz CJZSSFJFBNIXCM-GOSISDBHSA-N 0 0 438.597 4.134 50 0 IIAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc32)cc1 ZINC000049004891 557084030 /nfs/dbraw/zinc/08/40/30/557084030.db2.gz ZVHDNLFWDBDZMU-UHFFFAOYSA-N 0 0 436.537 4.048 50 0 IIAARN COC(=O)c1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 ZINC000049006720 557085451 /nfs/dbraw/zinc/08/54/51/557085451.db2.gz XGRQWPPRVAPBGF-UHFFFAOYSA-N 0 0 442.928 4.260 50 0 IIAARN COc1cccc2cc(C(=O)N3CCC(Oc4nc5ccccc5s4)CC3)c(=O)oc21 ZINC000049028603 557088581 /nfs/dbraw/zinc/08/85/81/557088581.db2.gz IYSPEBWNBGMBPN-UHFFFAOYSA-N 0 0 436.489 4.095 50 0 IIAARN O=C(CCCn1cnc(-c2ccccc2)cc1=O)NCCc1csc(-c2ccccc2)n1 ZINC000049028185 557088588 /nfs/dbraw/zinc/08/85/88/557088588.db2.gz GCZGTSPHGBSXKB-UHFFFAOYSA-N 0 0 444.560 4.173 50 0 IIAARN COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc21 ZINC000023382057 557089146 /nfs/dbraw/zinc/08/91/46/557089146.db2.gz AUEUVXKCEBAGQA-KRWDZBQOSA-N 0 0 447.322 4.296 50 0 IIAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(-c2ccccc2)nc2sccn21 ZINC000023459692 557093160 /nfs/dbraw/zinc/09/31/60/557093160.db2.gz ATXFSEWVEJFTTH-UHFFFAOYSA-N 0 0 438.896 4.080 50 0 IIAARN O=C(Cc1ccccc1Cl)N1CCC[C@H](COc2cccc(C(=O)NC3CC3)c2)C1 ZINC000033311703 557095740 /nfs/dbraw/zinc/09/57/40/557095740.db2.gz LWBCJNKQLNXJJO-KRWDZBQOSA-N 0 0 426.944 4.092 50 0 IIAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)ncn2)cc1 ZINC000033311982 557096057 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O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000049590315 557116903 /nfs/dbraw/zinc/11/69/03/557116903.db2.gz ANKMLPISKUGZSC-UHFFFAOYSA-N 0 0 447.604 4.098 50 0 IIAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cccc(OC)c2o1 ZINC000001060770 557118418 /nfs/dbraw/zinc/11/84/18/557118418.db2.gz FHIRMHPLWQXDRP-UHFFFAOYSA-N 0 0 433.493 4.249 50 0 IIAARN COc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001168178 557119747 /nfs/dbraw/zinc/11/97/47/557119747.db2.gz YBCLPBGMATXWGN-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN O=C(Nc1ccc(I)cc1Cl)c1cc2ccccc2oc1=O ZINC000001217904 557120468 /nfs/dbraw/zinc/12/04/68/557120468.db2.gz BKFBRZUMBQKCRH-UHFFFAOYSA-N 0 0 425.609 4.303 50 0 IIAARN CCCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000008740414 557121604 /nfs/dbraw/zinc/12/16/04/557121604.db2.gz LKTAAXAVMICVEO-USCONSEESA-N 0 0 430.526 4.167 50 0 biogenic IIAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCC1 ZINC000014939171 557123875 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4.248 50 0 IIAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023982469 557129317 /nfs/dbraw/zinc/12/93/17/557129317.db2.gz FHAANAGTANFIKD-UHFFFAOYSA-N 0 0 447.516 4.243 50 0 IIAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000655282 557129555 /nfs/dbraw/zinc/12/95/55/557129555.db2.gz IFXYPTZWCXACCQ-NRFANRHFSA-N 0 0 436.361 4.433 50 0 IIAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C(C)C)cc2)cc1 ZINC000000656137 557129598 /nfs/dbraw/zinc/12/95/98/557129598.db2.gz IQXPBDDEQZYTHF-UHFFFAOYSA-N 0 0 437.565 4.025 50 0 IIAARN COc1ccc([C@H](NC(=O)CCSc2nc3ccccc3s2)c2nccn2C)cc1 ZINC000024025921 557132238 /nfs/dbraw/zinc/13/22/38/557132238.db2.gz OIIGDEHQMDRNPB-FQEVSTJZSA-N 0 0 438.578 4.426 50 0 IIAARN COc1cc(OC)cc([C@@H](NC(=O)c2cc(Cl)sc2Cl)c2nccn2C)c1 ZINC000024024120 557132343 /nfs/dbraw/zinc/13/23/43/557132343.db2.gz RWIDTEMGQLVITQ-OAHLLOKOSA-N 0 0 426.325 4.325 50 0 IIAARN CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000024043016 557133602 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C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1C ZINC000004816314 557142711 /nfs/dbraw/zinc/14/27/11/557142711.db2.gz SLPHEYGUGHXNCM-LRYXAPPNSA-N 0 0 426.586 4.132 50 0 IIAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 ZINC000011416844 557143162 /nfs/dbraw/zinc/14/31/62/557143162.db2.gz HZTNYJDQRGVVLP-OAQYLSRUSA-N 0 0 427.932 4.168 50 0 IIAARN O=C(NCc1nnc2ccccn21)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024333301 557144176 /nfs/dbraw/zinc/14/41/76/557144176.db2.gz ZZARNKQSEYDGJH-UHFFFAOYSA-N 0 0 442.910 4.225 50 0 IIAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000024341791 557144450 /nfs/dbraw/zinc/14/44/50/557144450.db2.gz KAXQWTIQQMYECM-IQUTYRLHSA-N 0 0 431.558 4.076 50 0 IIAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000024395634 557146327 /nfs/dbraw/zinc/14/63/27/557146327.db2.gz PPVBAWBYWPVDLD-HSZRJFAPSA-N 0 0 438.531 4.096 50 0 IIAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nncn1-c1ccccc1 ZINC000011427211 557146665 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CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009303017 557185759 /nfs/dbraw/zinc/18/57/59/557185759.db2.gz IEMZYABFLQLASL-OAHLLOKOSA-N 0 0 427.526 4.430 50 0 IIAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c(C)c1 ZINC000025040318 557189984 /nfs/dbraw/zinc/18/99/84/557189984.db2.gz VXAOGGHXHOSDLK-FCHUYYIVSA-N 0 0 447.579 4.062 50 0 IIAARN CC(C)n1c(=O)c2ccccc2nc1SCc1nc(COc2ccc(F)cc2)no1 ZINC000025054789 557192073 /nfs/dbraw/zinc/19/20/73/557192073.db2.gz OELORMYJARYJOA-UHFFFAOYSA-N 0 0 426.473 4.371 50 0 IIAARN COc1ccc([C@@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c2nccn2C)cc1 ZINC000025160782 557197641 /nfs/dbraw/zinc/19/76/41/557197641.db2.gz DCLOUADUPDTJJS-GOSISDBHSA-N 0 0 440.569 4.303 50 0 IIAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)c1 ZINC000023308189 557199798 /nfs/dbraw/zinc/19/97/98/557199798.db2.gz YFSQLNOBTRVNFO-UHFFFAOYSA-N 0 0 440.569 4.085 50 0 IIAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c(C)c1 ZINC000000794031 557200623 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4.072 50 0 IIAARN CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677524 557209534 /nfs/dbraw/zinc/20/95/34/557209534.db2.gz JWQOMXXVBZECKT-UNMCSNQZSA-N 0 0 431.502 4.345 50 0 IIAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025583617 557217269 /nfs/dbraw/zinc/21/72/69/557217269.db2.gz GPDGTDNZWKLQIW-RLWLMLJZSA-N 0 0 444.487 4.465 50 0 IIAARN COc1ccc2oc(C(=O)N(CCCN3CCOCC3)Cc3cccs3)c(C)c2c1 ZINC000025605978 557218660 /nfs/dbraw/zinc/21/86/60/557218660.db2.gz GKCXGHHLUDBIIU-UHFFFAOYSA-N 0 0 428.554 4.176 50 0 IIAARN CCCn1c2ccc(C(C)C)cc2sc1=NC(=O)CS(=O)(=O)c1ccc(F)cc1 ZINC000101061367 557218980 /nfs/dbraw/zinc/21/89/80/557218980.db2.gz VZSXRJYMKPXLGO-LNVKXUELSA-N 0 0 434.558 4.277 50 0 IIAARN CN(C)C(=O)COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000025656243 557220671 /nfs/dbraw/zinc/22/06/71/557220671.db2.gz XHWKWRUYWSVRGY-UHFFFAOYSA-N 0 0 426.476 4.016 50 0 IIAARN COc1cn(-c2ccccc2)nc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000025725374 557223610 /nfs/dbraw/zinc/22/36/10/557223610.db2.gz FTRMQUIERDGFRO-QGZVFWFLSA-N 0 0 434.521 4.316 50 0 IIAARN Brc1ccc(C2=Nc3nnnn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000101070150 557224963 /nfs/dbraw/zinc/22/49/63/557224963.db2.gz AVNPUXBQGRRFKR-OAHLLOKOSA-N 0 0 433.107 4.254 50 0 IIAARN NC(=O)COc1ccccc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000025792672 557226841 /nfs/dbraw/zinc/22/68/41/557226841.db2.gz LFHQDRMRYNJDHI-UHFFFAOYSA-N 0 0 428.847 4.175 50 0 IIAARN CCn1c(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000025844584 557228461 /nfs/dbraw/zinc/22/84/61/557228461.db2.gz RKTDIXGWJKDTLZ-UHFFFAOYSA-N 0 0 442.932 4.187 50 0 IIAARN CC(C)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2n1 ZINC000018024543 557228870 /nfs/dbraw/zinc/22/88/70/557228870.db2.gz DVNLFPIDOBPYJH-UHFFFAOYSA-N 0 0 449.898 4.388 50 0 IIAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC ZINC000025878468 557228976 /nfs/dbraw/zinc/22/89/76/557228976.db2.gz CVSGNZHZEIZGRK-FUHWJXTLSA-N 0 0 428.916 4.074 50 0 IIAARN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCc1cc(C)on1 ZINC000026089456 557233880 /nfs/dbraw/zinc/23/38/80/557233880.db2.gz NZYOPYRXRUJMND-UHFFFAOYSA-N 0 0 438.347 4.174 50 0 IIAARN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018097679 557236680 /nfs/dbraw/zinc/23/66/80/557236680.db2.gz HZCHVXGZXPEOCQ-QRVBRYPASA-N 0 0 429.314 4.318 50 0 IIAARN CCc1ccccc1S(=O)(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950644 557237643 /nfs/dbraw/zinc/23/76/43/557237643.db2.gz WMVJHDZMMQTERQ-UHFFFAOYSA-N 0 0 426.586 4.218 50 0 IIAARN COc1ccc(-c2cc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 ZINC000026390162 557240186 /nfs/dbraw/zinc/24/01/86/557240186.db2.gz LQSFFYNGIBXKGA-JTSKRJEESA-N 0 0 448.491 4.356 50 0 IIAARN COc1ccc([C@H](O)Cn2cnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000583649185 557240420 /nfs/dbraw/zinc/24/04/20/557240420.db2.gz JPOOBAZLBKFGPW-JOCHJYFZSA-N 0 0 430.464 4.065 50 0 IIAARN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 ZINC000026417948 557240767 /nfs/dbraw/zinc/24/07/67/557240767.db2.gz MKJXAPSYNYWYSQ-CLKRHQIWSA-N 0 0 448.563 4.490 50 0 IIAARN O=C([C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)c1ccccc1)N1CCCCC1 ZINC000026436907 557241283 /nfs/dbraw/zinc/24/12/83/557241283.db2.gz ITJNBKJAKFBDCP-UXHICEINSA-N 0 0 437.521 4.428 50 0 IIAARN Cc1c2ccccc2oc1-c1nc2s/c(=C/c3ccccc3Br)c(=O)n2n1 ZINC000026531939 557243240 /nfs/dbraw/zinc/24/32/40/557243240.db2.gz KTCCLZNSDAEOGR-MHWRWJLKSA-N 0 0 438.306 4.183 50 0 IIAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000100156134 557244415 /nfs/dbraw/zinc/24/44/15/557244415.db2.gz RCDDSJPWSHTDAP-OAQYLSRUSA-N 0 0 433.508 4.128 50 0 IIAARN CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000026654649 557246106 /nfs/dbraw/zinc/24/61/06/557246106.db2.gz LEALBLQZOIKLIE-UHFFFAOYSA-N 0 0 449.580 4.148 50 0 IIAARN O=C(NCCc1cccs1)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1 ZINC000032952166 557248141 /nfs/dbraw/zinc/24/81/41/557248141.db2.gz SPYOIFUHOMHWDP-UHFFFAOYSA-N 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557256549 /nfs/dbraw/zinc/25/65/49/557256549.db2.gz OGEYPBLXKZPYSL-WEMUOSSPSA-N 0 0 428.492 4.022 50 0 IIAARN O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000072271183 557264314 /nfs/dbraw/zinc/26/43/14/557264314.db2.gz ADKBSRSXGBXJRT-UHFFFAOYSA-N 0 0 432.455 4.453 50 0 IIAARN COc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000027546827 557264799 /nfs/dbraw/zinc/26/47/99/557264799.db2.gz KUGIFXJYXBXGFE-VWLOTQADSA-N 0 0 425.488 4.038 50 0 IIAARN COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000012994185 557265948 /nfs/dbraw/zinc/26/59/48/557265948.db2.gz OKIVCCVSNUJRPA-UHFFFAOYSA-N 0 0 430.751 4.464 50 0 IIAARN COc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000000821166 557268128 /nfs/dbraw/zinc/26/81/28/557268128.db2.gz FXMMFHSZBYLYSM-UHFFFAOYSA-N 0 0 430.913 4.183 50 0 IIAARN COc1ccc(-c2ccc(OCCNC(=O)c3sc(-c4ccccc4)nc3C)nn2)cc1 ZINC000011024058 557268244 /nfs/dbraw/zinc/26/82/44/557268244.db2.gz XABTZBAZBVHFPF-UHFFFAOYSA-N 0 0 446.532 4.393 50 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CC(C)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(O)c(C(C)C)c1 ZINC000014167733 557312997 /nfs/dbraw/zinc/31/29/97/557312997.db2.gz NZYYQYADKGFODT-UHFFFAOYSA-N 0 0 444.553 4.084 50 0 IIAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102196373 557314597 /nfs/dbraw/zinc/31/45/97/557314597.db2.gz OJWSVBCPLATMAB-YPAWHYETSA-N 0 0 434.879 4.400 50 0 IIAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000032768282 557315560 /nfs/dbraw/zinc/31/55/60/557315560.db2.gz MUDSXLJJWBSAEP-DHZHZOJOSA-N 0 0 442.441 4.180 50 0 IIAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)nc21 ZINC000102303632 557316050 /nfs/dbraw/zinc/31/60/50/557316050.db2.gz NGRYQFYUJWIXDG-KDURUIRLSA-N 0 0 445.544 4.089 50 0 IIAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCCC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102252480 557316452 /nfs/dbraw/zinc/31/64/52/557316452.db2.gz NSENWMRDNSVLRF-FQEVSTJZSA-N 0 0 445.972 4.491 50 0 IIAARN O=C(/C=C\c1ccco1)NCC12CC3CC(C1)CC(CNC(=O)/C=C\c1ccco1)(C3)C2 ZINC000033390492 557319237 /nfs/dbraw/zinc/31/92/37/557319237.db2.gz IELAXLSWNLFYPH-SFECMWDFSA-N 0 0 434.536 4.418 50 0 IIAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000032948799 557320281 /nfs/dbraw/zinc/32/02/81/557320281.db2.gz CZWQWZZAFHIJRV-LJQANCHMSA-N 0 0 448.475 4.128 50 0 IIAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)o1 ZINC000033032041 557321628 /nfs/dbraw/zinc/32/16/28/557321628.db2.gz GHOUUFZKODMIGR-UHFFFAOYSA-N 0 0 442.313 4.015 50 0 IIAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(OC)c3)C(=O)C2)cc1 ZINC000102426687 557321985 /nfs/dbraw/zinc/32/19/85/557321985.db2.gz YBRTXPSSEWQJME-UHFFFAOYSA-N 0 0 428.492 4.149 50 0 IIAARN COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1Cl ZINC000011668611 557327133 /nfs/dbraw/zinc/32/71/33/557327133.db2.gz BQSWXQYGTUIBAW-IBGZPJMESA-N 0 0 441.890 4.188 50 0 IIAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)NCc1ccccc1Br ZINC000033172706 557327114 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428.901 4.349 50 0 IIAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)CCc2ccccc2)cc1OC ZINC000014610731 557345176 /nfs/dbraw/zinc/34/51/76/557345176.db2.gz YTBILRZZHOWIDC-UHFFFAOYSA-N 0 0 432.480 4.440 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CCC(C)CC4)cc3)c(C)c2Br)o1 ZINC000023336281 557348780 /nfs/dbraw/zinc/34/87/80/557348780.db2.gz PVAKOBDMKRHUNT-UHFFFAOYSA-N 0 0 444.333 4.174 50 0 IIAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N[C@H](C)C(C)(C)C)cc3)c(C)c2Br)o1 ZINC000023335451 557350274 /nfs/dbraw/zinc/35/02/74/557350274.db2.gz SELBHQKRSGQONI-GFCCVEGCSA-N 0 0 446.349 4.466 50 0 IIAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102585157 557355779 /nfs/dbraw/zinc/35/57/79/557355779.db2.gz FQCZRJFOUFNFKT-NYHFZMIOSA-N 0 0 432.480 4.369 50 0 IIAARN Cc1nc2ncnn2c(N2CCN(c3ccc(Cl)cc3F)CC2)c1Cc1ccccc1 ZINC000023459451 557360077 /nfs/dbraw/zinc/36/00/77/557360077.db2.gz NFUZACJENQVLDE-UHFFFAOYSA-N 0 0 436.922 4.143 50 0 IIAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 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CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000229334258 557832000 /nfs/dbraw/zinc/83/20/00/557832000.db2.gz NGFGCSBIBZJMKU-BWAGFHJFSA-N 0 0 428.960 4.209 50 0 IIAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000000862132 557835878 /nfs/dbraw/zinc/83/58/78/557835878.db2.gz TVTXUUFNTKWDIQ-UHFFFAOYSA-N 0 0 435.475 4.485 50 0 IIAARN Cc1ccccc1[C@H](C)c1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000238936981 557842009 /nfs/dbraw/zinc/84/20/09/557842009.db2.gz SRSKLZLKOAOHET-INIZCTEOSA-N 0 0 429.517 4.237 50 0 IIAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccccc1 ZINC000001161450 562920793 /nfs/dbraw/zinc/92/07/93/562920793.db2.gz WWSQWBKCQXXPSX-UHFFFAOYSA-N 0 0 438.530 4.441 50 0 IIAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000001242515 562921019 /nfs/dbraw/zinc/92/10/19/562921019.db2.gz OXMXHQXRPYRIIV-INIZCTEOSA-N 0 0 444.578 4.118 50 0 IIAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000002397452 562927363 /nfs/dbraw/zinc/92/73/63/562927363.db2.gz JOWNXQLLQJQXBQ-CHJDUVSTSA-N 0 0 437.473 4.190 50 0 IIAARN Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)N(C)c3ccccc3)nn2c1C ZINC000003045776 562932186 /nfs/dbraw/zinc/93/21/86/562932186.db2.gz NVHDBPPYLZCBRA-UHFFFAOYSA-N 0 0 431.565 4.395 50 0 IIAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2Br)o1 ZINC000003249780 562933330 /nfs/dbraw/zinc/93/33/30/562933330.db2.gz BLJVMYKWYZQCTN-UHFFFAOYSA-N 0 0 442.294 4.361 50 0 aggregator IIAARN COc1cccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003255667 562933410 /nfs/dbraw/zinc/93/34/10/562933410.db2.gz YQOUPYBWTAEUAX-CWSBKQHBSA-N 0 0 431.444 4.360 50 0 IIAARN O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003288809 562933763 /nfs/dbraw/zinc/93/37/63/562933763.db2.gz QSAFLKVQXAUOST-UHFFFAOYSA-N 0 0 433.580 4.299 50 0 aggregator IIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc(F)cc1F ZINC000003376408 562935027 /nfs/dbraw/zinc/93/50/27/562935027.db2.gz 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COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000008583687 562949824 /nfs/dbraw/zinc/94/98/24/562949824.db2.gz WSSGIOQCJMPFJO-QFIPXVFZSA-N 0 0 438.491 4.276 50 0 IIAARN COc1cc(-c2nnc(SCC(=O)Oc3ccccc3Cl)o2)cc(OC)c1OC ZINC000008587416 562950268 /nfs/dbraw/zinc/95/02/68/562950268.db2.gz XPPZKCAQODQBOL-UHFFFAOYSA-N 0 0 436.873 4.114 50 0 IIAARN COc1ccc(C(=O)Cn2c3ccccc3nc(-c3cc(C)ccc3NC(C)=O)c2=O)cc1 ZINC000008587479 562950339 /nfs/dbraw/zinc/95/03/39/562950339.db2.gz CDJCZVXCQDJALK-UHFFFAOYSA-N 0 0 441.487 4.222 50 0 IIAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2nncn3c4cc(C)oc4cc23)cc1 ZINC000008588862 562950956 /nfs/dbraw/zinc/95/09/56/562950956.db2.gz JBUFHPFXIWYPGA-LJQANCHMSA-N 0 0 438.509 4.470 50 0 IIAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1cc(C)cc(C)c1)nc2C ZINC000008593332 562952633 /nfs/dbraw/zinc/95/26/33/562952633.db2.gz CEYWJEHHHOWURA-UHFFFAOYSA-N 0 0 429.524 4.235 50 0 IIAARN CCN(CC)c1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)c1 ZINC000008596754 562953830 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428.532 4.456 50 0 IIAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O ZINC000008609164 562957710 /nfs/dbraw/zinc/95/77/10/562957710.db2.gz GAANXECHUAKDSH-IBGZPJMESA-N 0 0 440.956 4.004 50 0 IIAARN CCOc1ccc(CNC(=O)C2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1 ZINC000008609972 562958001 /nfs/dbraw/zinc/95/80/01/562958001.db2.gz GBWMIPPOQXXMDW-UHFFFAOYSA-N 0 0 437.565 4.106 50 0 IIAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NC1CCCCCC1 ZINC000008610649 562958239 /nfs/dbraw/zinc/95/82/39/562958239.db2.gz FKPQACASAPDXTH-UHFFFAOYSA-N 0 0 446.526 4.378 50 0 aggregator IIAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)coc2c1 ZINC000008611983 562958847 /nfs/dbraw/zinc/95/88/47/562958847.db2.gz VFEBPUHYMCTKAJ-KRWDZBQOSA-N 0 0 426.538 4.486 50 0 IIAARN Cc1cccc(C)c1OCc1nc2c3cnn(-c4ccccc4Br)c3ncn2n1 ZINC000008611995 562958849 /nfs/dbraw/zinc/95/88/49/562958849.db2.gz CEYHOYGDEPPSDF-UHFFFAOYSA-N 0 0 449.312 4.422 50 0 IIAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000008619433 562959859 /nfs/dbraw/zinc/95/98/59/562959859.db2.gz XTNAOHAKZDDSSA-UHFFFAOYSA-N 0 0 440.425 4.407 50 0 aggregator IIAARN CCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCN(Cc2ccc(C)cc2)CC1 ZINC000008672320 562961088 /nfs/dbraw/zinc/96/10/88/562961088.db2.gz GOZIJUKIJBIAGS-UHFFFAOYSA-N 0 0 435.973 4.020 50 0 IIAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000008673194 562961150 /nfs/dbraw/zinc/96/11/50/562961150.db2.gz JGJIBSAHLHEMHE-UHFFFAOYSA-N 0 0 440.425 4.462 50 0 aggregator IIAARN COCCCNC(=O)c1cc(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c[nH]1 ZINC000008681142 562961617 /nfs/dbraw/zinc/96/16/17/562961617.db2.gz MSRPLIPCTGXXAE-UHFFFAOYSA-N 0 0 436.295 4.282 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000008761265 562963903 /nfs/dbraw/zinc/96/39/03/562963903.db2.gz WBBQYXWXCWYOSP-KRWDZBQOSA-N 0 0 447.491 4.338 50 0 IIAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@H](O)c1ccccc1 ZINC000008790120 562964103 /nfs/dbraw/zinc/96/41/03/562964103.db2.gz SZMPKPFIHMELAR-SBUREZEXSA-N 0 0 429.472 4.077 50 0 biogenic IIAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000008830332 562964776 /nfs/dbraw/zinc/96/47/76/562964776.db2.gz MRHRCNMHLQJQSF-UHFFFAOYSA-N 0 0 439.581 4.007 50 0 aggregator IIAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)cc1 ZINC000008830892 562964876 /nfs/dbraw/zinc/96/48/76/562964876.db2.gz PFYHHOJZVBUPDP-UHFFFAOYSA-N 0 0 427.551 4.272 50 0 IIAARN Cc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2cccs2)cc1 ZINC000009126931 562967517 /nfs/dbraw/zinc/96/75/17/562967517.db2.gz NYHMSQBXGZPZPX-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccs3)C2)c1 ZINC000009126941 562967526 /nfs/dbraw/zinc/96/75/26/562967526.db2.gz ZPSFVDJINHRFPU-LJQANCHMSA-N 0 0 425.535 4.111 50 0 IIAARN CCOc1ccc(OCCCC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000009128132 562967587 /nfs/dbraw/zinc/96/75/87/562967587.db2.gz DWPZDZKVSWMQFY-UHFFFAOYSA-N 0 0 449.345 4.104 50 0 IIAARN Cc1c(OCC(=O)NCc2ccccn2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000009348653 562969461 /nfs/dbraw/zinc/96/94/61/562969461.db2.gz XEHNOYVGPDQACO-UHFFFAOYSA-N 0 0 428.488 4.091 50 0 IIAARN COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(F)c3)c2=O)c(OC)c1 ZINC000009599013 562973736 /nfs/dbraw/zinc/97/37/36/562973736.db2.gz ZJIMCSISYXRXOY-UHFFFAOYSA-N 0 0 440.496 4.035 50 0 IIAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000009595384 562973774 /nfs/dbraw/zinc/97/37/74/562973774.db2.gz PTBUPFAVOXVQQU-UHFFFAOYSA-N 0 0 437.521 4.110 50 0 IIAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)nn1 ZINC000009626900 562974310 /nfs/dbraw/zinc/97/43/10/562974310.db2.gz CZYRHWHJHBFVMC-UHFFFAOYSA-N 0 0 436.320 4.496 50 0 IIAARN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc(OC)c1OC ZINC000009708218 562975637 /nfs/dbraw/zinc/97/56/37/562975637.db2.gz DJQKPIFCGBTKDP-IBGZPJMESA-N 0 0 438.549 4.308 50 0 IIAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000009728333 562976191 /nfs/dbraw/zinc/97/61/91/562976191.db2.gz QPBRTYSRKAAUAQ-UHFFFAOYSA-N 0 0 433.401 4.233 50 0 IIAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NCCC(C)C)nc23)c1 ZINC000009969235 562978067 /nfs/dbraw/zinc/97/80/67/562978067.db2.gz ZHCQNRCNFJUPCQ-UHFFFAOYSA-N 0 0 429.571 4.247 50 0 IIAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)c4cc5nc(C)cc(C)n5n4)C3)ccc2c1 ZINC000011933559 562979876 /nfs/dbraw/zinc/97/98/76/562979876.db2.gz LIVFAXOZFUTTDH-OAQYLSRUSA-N 0 0 442.519 4.243 50 0 IIAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000015942632 563019700 /nfs/dbraw/zinc/01/97/00/563019700.db2.gz QAKKCMUQXLOXBF-UHFFFAOYSA-N 0 0 432.572 4.458 50 0 IIAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCOCC2)cc1 ZINC000039959685 563099259 /nfs/dbraw/zinc/09/92/59/563099259.db2.gz AMILMPLYVWSTHV-GOSISDBHSA-N 0 0 445.635 4.085 50 0 IIAARN COc1cc(NC(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1 ZINC000044389044 563122061 /nfs/dbraw/zinc/12/20/61/563122061.db2.gz ZEBABPXRKDFXPV-UHFFFAOYSA-N 0 0 446.467 4.005 50 0 IIAARN Cc1cccc(N2CCN(Cc3nnc(-c4cccc(Br)c4)o3)CC2)c1C ZINC000058024101 563143310 /nfs/dbraw/zinc/14/33/10/563143310.db2.gz YBOZAUIXEJOYPP-UHFFFAOYSA-N 0 0 427.346 4.438 50 0 IIAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](CC(C)C)c3nc4ccccc4n3C)C2)n1 ZINC000248077278 568633860 /nfs/dbraw/zinc/63/38/60/568633860.db2.gz ZMAOIWQQHPNWSP-PZJWPPBQSA-N 0 0 434.588 4.100 50 0 IIAARN COc1ccccc1NC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1cccs1 ZINC000000904769 568636162 /nfs/dbraw/zinc/63/61/62/568636162.db2.gz VDUOHHUVSMZEBN-LGMDPLHJSA-N 0 0 438.505 4.184 50 0 IIAARN CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc(OCC)c1OCC ZINC000000921154 568637342 /nfs/dbraw/zinc/63/73/42/568637342.db2.gz YPQOLHKWIRJFMY-CYBMUJFWSA-N 0 0 446.569 4.420 50 0 IIAARN COc1ccc(-n2c(CNc3ccc(C)cc3)nnc2SCC(=O)OC(C)C)cc1 ZINC000000925368 568637854 /nfs/dbraw/zinc/63/78/54/568637854.db2.gz QBPCCIGGTIEQEW-UHFFFAOYSA-N 0 0 426.542 4.240 50 0 IIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1 ZINC000086057618 568642776 /nfs/dbraw/zinc/64/27/76/568642776.db2.gz GEJDWPJYFHQXMO-KRWDZBQOSA-N 0 0 439.512 4.464 50 0 IIAARN CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC(=O)c1cc2ccccc2oc1=O ZINC000000950478 568645375 /nfs/dbraw/zinc/64/53/75/568645375.db2.gz FMNHRNZUPUMGTQ-UHFFFAOYSA-N 0 0 443.477 4.157 50 0 IIAARN CCOC(=O)[C@@H](CC)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958410 568646317 /nfs/dbraw/zinc/64/63/17/568646317.db2.gz LOENOFHJVMUNBK-MRXNPFEDSA-N 0 0 427.526 4.150 50 0 IIAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccco1)Nc1ccccc1 ZINC000001069544 568656492 /nfs/dbraw/zinc/65/64/92/568656492.db2.gz OZUVZWCBYRPQIZ-IBGZPJMESA-N 0 0 439.924 4.464 50 0 IIAARN Cc1nn(Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c(C)c1Br ZINC000001069190 568656552 /nfs/dbraw/zinc/65/65/52/568656552.db2.gz IJZHSYTVWPGMQO-UHFFFAOYSA-N 0 0 442.313 4.334 50 0 IIAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)NC(=O)c1ccccc1Br ZINC000001069625 568656559 /nfs/dbraw/zinc/65/65/59/568656559.db2.gz NGVSXSZOGZLJCI-UHFFFAOYSA-N 0 0 441.372 4.431 50 0 IIAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)cc1 ZINC000001072179 568657783 /nfs/dbraw/zinc/65/77/83/568657783.db2.gz FSHBSSAUXKTKMT-UHFFFAOYSA-N 0 0 442.459 4.295 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529922 568662868 /nfs/dbraw/zinc/66/28/68/568662868.db2.gz MDDAXFHGJWWTIG-OAQYLSRUSA-N 0 0 427.907 4.300 50 0 IIAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1)N1CCOCC1 ZINC000082087273 568735010 /nfs/dbraw/zinc/73/50/10/568735010.db2.gz LDZORQWDJGKCGR-UHFFFAOYSA-N 0 0 438.933 4.291 50 0 IIAARN COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001174534 568735724 /nfs/dbraw/zinc/73/57/24/568735724.db2.gz JUUSOBPMRCCBND-UHFFFAOYSA-N 0 0 448.903 4.322 50 0 IIAARN Cc1ccc([C@H](C)NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1C ZINC000031613789 568741217 /nfs/dbraw/zinc/74/12/17/568741217.db2.gz FXMREBBKZKLBED-SFHVURJKSA-N 0 0 444.560 4.367 50 0 IIAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(CC)Cc1ccccc1C ZINC000058790208 568741644 /nfs/dbraw/zinc/74/16/44/568741644.db2.gz XMJNDZCBRUQDGO-UHFFFAOYSA-N 0 0 428.602 4.027 50 0 IIAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C[C@H](C)O1 ZINC000003203352 568742986 /nfs/dbraw/zinc/74/29/86/568742986.db2.gz FATJCWCTJMKWIW-STQMWFEESA-N 0 0 443.352 4.044 50 0 IIAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000003210358 568742993 /nfs/dbraw/zinc/74/29/93/568742993.db2.gz KTGYBZIXCHSNDL-UHFFFAOYSA-N 0 0 430.485 4.132 50 0 IIAARN COC[C@@H](C)n1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O ZINC000003259138 568744055 /nfs/dbraw/zinc/74/40/55/568744055.db2.gz CSXNGSMTGNDRDI-QGZVFWFLSA-N 0 0 425.554 4.138 50 0 IIAARN CN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCN(C)CC1 ZINC000003254773 568744109 /nfs/dbraw/zinc/74/41/09/568744109.db2.gz DRLNLCNERAGLRG-UHFFFAOYSA-N 0 0 445.972 4.358 50 0 IIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000003317228 568745986 /nfs/dbraw/zinc/74/59/86/568745986.db2.gz PKFKFGXSTFYVLQ-UHFFFAOYSA-N 0 0 448.313 4.239 50 0 IIAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000003330696 568746256 /nfs/dbraw/zinc/74/62/56/568746256.db2.gz VHPDPAVHXBTMHI-UHFFFAOYSA-N 0 0 433.537 4.383 50 0 IIAARN CCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000003389076 568748297 /nfs/dbraw/zinc/74/82/97/568748297.db2.gz WNHQENZQLZEKCF-OAQYLSRUSA-N 0 0 429.314 4.052 50 0 IIAARN Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c(C)c1 ZINC000044170284 568749362 /nfs/dbraw/zinc/74/93/62/568749362.db2.gz OQAYUKDEHMRROE-UHFFFAOYSA-N 0 0 445.567 4.054 50 0 IIAARN CCOc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1OCC ZINC000003619562 568751583 /nfs/dbraw/zinc/75/15/83/568751583.db2.gz WHJSLCAGDZIWJP-UHFFFAOYSA-N 0 0 430.570 4.485 50 0 IIAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1 ZINC000003637153 568752204 /nfs/dbraw/zinc/75/22/04/568752204.db2.gz PTCJKNDNKUVFLB-UNOMPAQXSA-N 0 0 435.892 4.288 50 0 IIAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OC)c(=O)n3n2)cc1 ZINC000003649116 568752635 /nfs/dbraw/zinc/75/26/35/568752635.db2.gz BZSYYXSMGWGSGN-PGMHBOJBSA-N 0 0 435.549 4.333 50 0 IIAARN Cc1ccc(-c2ccc(C(=O)N3CCC4(C[C@H]4C(=O)NCCc4ccccn4)CC3)cc2)o1 ZINC000299761380 568755679 /nfs/dbraw/zinc/75/56/79/568755679.db2.gz VVQSUDMFVKSASI-QHCPKHFHSA-N 0 0 443.547 4.251 50 0 IIAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)cc1 ZINC000263586088 568759275 /nfs/dbraw/zinc/75/92/75/568759275.db2.gz PXAMNQISNGRUSW-UHFFFAOYSA-N 0 0 428.286 4.307 50 0 biogenic IIAARN COC(=O)c1cn(C[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc2c(=O)[nH]nc1-2 ZINC000263587150 568760203 /nfs/dbraw/zinc/76/02/03/568760203.db2.gz CSYXPVPTRXOGPH-KRWDZBQOSA-N 0 0 446.894 4.430 50 0 IIAARN O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000015411378 568761875 /nfs/dbraw/zinc/76/18/75/568761875.db2.gz FOSPADKNAOFVRX-UHFFFAOYSA-N 0 0 441.258 4.319 50 0 IIAARN COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000015437261 568762121 /nfs/dbraw/zinc/76/21/21/568762121.db2.gz KBKDCNHMQWKQTE-UHFFFAOYSA-N 0 0 446.912 4.410 50 0 IIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCCn3c4ccccc4oc3=O)cc2)cc1 ZINC000015437916 568762287 /nfs/dbraw/zinc/76/22/87/568762287.db2.gz YWTLWJJJCIQEEU-UHFFFAOYSA-N 0 0 445.475 4.274 50 0 IIAARN O=C(Nc1ccc(Br)cc1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000001252782 568775019 /nfs/dbraw/zinc/77/50/19/568775019.db2.gz XLWRVVDBPFXIPV-UHFFFAOYSA-N 0 0 443.297 4.089 50 0 IIAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000001252816 568775070 /nfs/dbraw/zinc/77/50/70/568775070.db2.gz HXYAMZFDHGOOMP-OAQYLSRUSA-N 0 0 440.496 4.383 50 0 IIAARN COc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1OC ZINC000263617206 568777088 /nfs/dbraw/zinc/77/70/88/568777088.db2.gz MSKMCRDAXLEBTM-JOCHJYFZSA-N 0 0 433.508 4.037 50 0 IIAARN CCSc1nc2sc3c(c2c2nnc(SCC(=O)N(CC)CC)n21)CCCC3 ZINC000001296273 568778817 /nfs/dbraw/zinc/77/88/17/568778817.db2.gz MJPCXWXPRCYUBT-UHFFFAOYSA-N 0 0 435.644 4.290 50 0 IIAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Br)c2ccccc21)c1ccccc1 ZINC000001320496 568779868 /nfs/dbraw/zinc/77/98/68/568779868.db2.gz VBYDHMZREOEXNQ-QHCPKHFHSA-N 0 0 436.305 4.457 50 0 IIAARN Cc1ccc(S(=O)(=O)NCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000001341233 568780449 /nfs/dbraw/zinc/78/04/49/568780449.db2.gz KNBPLLSBSOIZCV-UHFFFAOYSA-N 0 0 444.626 4.192 50 0 IIAARN CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032106256 568781294 /nfs/dbraw/zinc/78/12/94/568781294.db2.gz YOYKGMYJWSUMCT-UHFFFAOYSA-N 0 0 432.505 4.447 50 0 IIAARN Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3)c(C)c1 ZINC000004145147 568781969 /nfs/dbraw/zinc/78/19/69/568781969.db2.gz OTNHREYBHNJENA-HXUWFJFHSA-N 0 0 429.442 4.315 50 0 IIAARN Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@](O)(C(F)(F)F)C2)cc1 ZINC000004163673 568783052 /nfs/dbraw/zinc/78/30/52/568783052.db2.gz BQEQKRBQTPJYCA-QGZVFWFLSA-N 0 0 427.220 4.259 50 0 IIAARN CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001401362 568786279 /nfs/dbraw/zinc/78/62/79/568786279.db2.gz IEQCJEDUCGQSKO-KRWDZBQOSA-N 0 0 448.438 4.056 50 0 IIAARN COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O ZINC000001407883 568787357 /nfs/dbraw/zinc/78/73/57/568787357.db2.gz VBELHHNFTFMMLC-UHFFFAOYSA-N 0 0 446.532 4.087 50 0 IIAARN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000083966987 568787378 /nfs/dbraw/zinc/78/73/78/568787378.db2.gz FMIPWYNSBHRZHG-BDJLRTHQSA-N 0 0 425.287 4.281 50 0 IIAARN CCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002756402 568789168 /nfs/dbraw/zinc/78/91/68/568789168.db2.gz IVKSOOHGRHPXKY-KBPBESRZSA-N 0 0 431.256 4.446 50 0 IIAARN Cc1nn(-c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)c(C)c1Br ZINC000084014244 568789930 /nfs/dbraw/zinc/78/99/30/568789930.db2.gz SASDYHYZZVVOON-HXUWFJFHSA-N 0 0 440.341 4.465 50 0 IIAARN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2cc(-c3ccc(Cl)cc3)nn21 ZINC000001413616 568790210 /nfs/dbraw/zinc/79/02/10/568790210.db2.gz LSLZBWLTFUYFHT-UHFFFAOYSA-N 0 0 432.793 4.298 50 0 IIAARN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001420041 568791762 /nfs/dbraw/zinc/79/17/62/568791762.db2.gz KCDFKDQFKVSBNA-VWLOTQADSA-N 0 0 445.519 4.045 50 0 IIAARN C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(c1ccccc1)c1ccccc1 ZINC000084139786 568794591 /nfs/dbraw/zinc/79/45/91/568794591.db2.gz LHPPDDZJKXAFOE-QBVRBKIRSA-N 0 0 437.609 4.049 50 0 IIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H](C)c2nc(-c3nc[nH]n3)no2)c(C)c1 ZINC000084142263 568794721 /nfs/dbraw/zinc/79/47/21/568794721.db2.gz ULQOFUKCFZVMCS-AWEZNQCLSA-N 0 0 445.508 4.024 50 0 IIAARN O=C(Nc1ccc(C(=O)OCCNc2ncc(C(F)(F)F)cc2Cl)cc1)C1CC1 ZINC000084392523 568797572 /nfs/dbraw/zinc/79/75/72/568797572.db2.gz MHXFXKVELYGMFT-UHFFFAOYSA-N 0 0 427.810 4.371 50 0 IIAARN NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccc(Br)c1 ZINC000084514515 568798307 /nfs/dbraw/zinc/79/83/07/568798307.db2.gz CDGNKLXOHSLLRR-KRWDZBQOSA-N 0 0 433.689 4.319 50 0 IIAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000015669150 568801725 /nfs/dbraw/zinc/80/17/25/568801725.db2.gz JVAQKHLOCCCMPK-UHFFFAOYSA-N 0 0 433.512 4.026 50 0 IIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(Cl)cc2)n1 ZINC000015670393 568802393 /nfs/dbraw/zinc/80/23/93/568802393.db2.gz UCUJMMDEFLTLKQ-QGZVFWFLSA-N 0 0 446.898 4.169 50 0 IIAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)CC1 ZINC000015672440 568803320 /nfs/dbraw/zinc/80/33/20/568803320.db2.gz WGWOSTVPCUCGKE-NCOUDYQVSA-N 0 0 425.554 4.405 50 0 IIAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)CC1 ZINC000015672439 568803363 /nfs/dbraw/zinc/80/33/63/568803363.db2.gz WGWOSTVPCUCGKE-AZGABAMRSA-N 0 0 425.554 4.405 50 0 IIAARN CCOCCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675775 568803948 /nfs/dbraw/zinc/80/39/48/568803948.db2.gz ZWFQORCKTZJCJW-RUZDIDTESA-N 0 0 443.588 4.413 50 0 IIAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000015679202 568805567 /nfs/dbraw/zinc/80/55/67/568805567.db2.gz KVFFRPUSNSCQPG-UHFFFAOYSA-N 0 0 434.471 4.498 50 0 IIAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728096 568812827 /nfs/dbraw/zinc/81/28/27/568812827.db2.gz PVVYWFGEMHFFIF-AWEZNQCLSA-N 0 0 431.949 4.154 50 0 IIAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc2S1 ZINC000015730385 568813862 /nfs/dbraw/zinc/81/38/62/568813862.db2.gz WSTMUVSTRUSNPH-SECBINFHSA-N 0 0 445.335 4.212 50 0 IIAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2NC1=O ZINC000015730751 568814145 /nfs/dbraw/zinc/81/41/45/568814145.db2.gz HPXHVPPYCJHKKV-MRXNPFEDSA-N 0 0 430.595 4.010 50 0 IIAARN COc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)Nc3ncnn32)cc1 ZINC000001467358 568820352 /nfs/dbraw/zinc/82/03/52/568820352.db2.gz AWVSNYXYYVIQMD-GOSISDBHSA-N 0 0 429.402 4.233 50 0 IIAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001473327 568822284 /nfs/dbraw/zinc/82/22/84/568822284.db2.gz KJHIYMXNLCMHKP-UHFFFAOYSA-N 0 0 444.940 4.491 50 0 IIAARN O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)Nc1ccc(F)c(F)c1 ZINC000015776578 568823977 /nfs/dbraw/zinc/82/39/77/568823977.db2.gz MDVDLHTXDCSMJS-UHFFFAOYSA-N 0 0 442.857 4.239 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000015781674 568826029 /nfs/dbraw/zinc/82/60/29/568826029.db2.gz KHRPKFWFIVPGGJ-LJQANCHMSA-N 0 0 430.476 4.318 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000015781735 568826141 /nfs/dbraw/zinc/82/61/41/568826141.db2.gz RTYIXHCHGBHWJF-LJQANCHMSA-N 0 0 430.476 4.318 50 0 IIAARN Cc1[nH]c(C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598264 568827264 /nfs/dbraw/zinc/82/72/64/568827264.db2.gz OWGNDKGHKBHRDZ-HXUWFJFHSA-N 0 0 429.586 4.004 50 0 IIAARN COc1cc(OC)cc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)c1 ZINC000085643821 568829160 /nfs/dbraw/zinc/82/91/60/568829160.db2.gz INTXCHLGVROUSD-UHFFFAOYSA-N 0 0 440.477 4.296 50 0 IIAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000085649934 568831311 /nfs/dbraw/zinc/83/13/11/568831311.db2.gz YJMNOADXVWOXQH-UHFFFAOYSA-N 0 0 439.581 4.382 50 0 IIAARN CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1N1CCN(c2ccccc2F)CC1 ZINC000015785820 568832990 /nfs/dbraw/zinc/83/29/90/568832990.db2.gz QBMXQUJEVXSBOP-UHFFFAOYSA-N 0 0 448.521 4.191 50 0 IIAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2cccs2)c1C ZINC000085712640 568835601 /nfs/dbraw/zinc/83/56/01/568835601.db2.gz MPNQSYLKJQLABY-UHFFFAOYSA-N 0 0 432.567 4.261 50 0 IIAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([C@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000101648685 568837215 /nfs/dbraw/zinc/83/72/15/568837215.db2.gz NKLNEMXFGBGNNF-PGCQCANASA-N 0 0 439.511 4.017 50 0 IIAARN Cc1cccc(CN2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2CCO)n1 ZINC000104532868 568837538 /nfs/dbraw/zinc/83/75/38/568837538.db2.gz PXTTTZWVOFBNBM-HXUWFJFHSA-N 0 0 425.960 4.372 50 0 IIAARN Cc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1F ZINC000015829728 568841415 /nfs/dbraw/zinc/84/14/15/568841415.db2.gz YVQSYSJJLVBYAZ-UHFFFAOYSA-N 0 0 427.530 4.396 50 0 IIAARN O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001518783 568841675 /nfs/dbraw/zinc/84/16/75/568841675.db2.gz OWNGGNRAILNMJG-UHFFFAOYSA-N 0 0 429.428 4.292 50 0 biogenic IIAARN Clc1ccc(OCCO[C@H]2OCCO[C@@H]2OCCOc2ccc(Cl)cc2)cc1 ZINC000006142284 568845487 /nfs/dbraw/zinc/84/54/87/568845487.db2.gz OABGTHHRELEQRH-PMACEKPBSA-N 0 0 429.296 4.183 50 0 IIAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3C(C)(C)C)c(Cl)c2)C1=O ZINC000015858418 568846624 /nfs/dbraw/zinc/84/66/24/568846624.db2.gz LSSBZKPJBKNFSW-ZDUSSCGKSA-N 0 0 434.945 4.202 50 0 IIAARN COc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)c(OC)c1 ZINC000015864325 568849768 /nfs/dbraw/zinc/84/97/68/568849768.db2.gz RMAJQSPCFSQQES-UHFFFAOYSA-N 0 0 434.540 4.361 50 0 IIAARN COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 ZINC000015865454 568850541 /nfs/dbraw/zinc/85/05/41/568850541.db2.gz XDDYEVISMZMBLU-UHFFFAOYSA-N 0 0 430.464 4.235 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1Cl ZINC000015870331 568851739 /nfs/dbraw/zinc/85/17/39/568851739.db2.gz UZSPCIQAJARMKU-UHFFFAOYSA-N 0 0 439.946 4.354 50 0 IIAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCCc4ccccc4)CC3)[nH]c2c1 ZINC000015868611 568851958 /nfs/dbraw/zinc/85/19/58/568851958.db2.gz OXXJSVFVOVQOAJ-IBGZPJMESA-N 0 0 447.579 4.414 50 0 IIAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(=O)OCC)o1 ZINC000015881455 568855370 /nfs/dbraw/zinc/85/53/70/568855370.db2.gz PRVHBMJCAQGPDP-UHFFFAOYSA-N 0 0 432.480 4.459 50 0 IIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882367 568856562 /nfs/dbraw/zinc/85/65/62/568856562.db2.gz DOWJQILLMYNGQO-UHFFFAOYSA-N 0 0 427.430 4.201 50 0 IIAARN O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)N1CCc2ccccc21 ZINC000015882660 568857333 /nfs/dbraw/zinc/85/73/33/568857333.db2.gz GZNBPAIYVUAFPF-UHFFFAOYSA-N 0 0 429.502 4.003 50 0 IIAARN COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000015882855 568857443 /nfs/dbraw/zinc/85/74/43/568857443.db2.gz FONJUVITAWGJDO-UHFFFAOYSA-N 0 0 432.398 4.185 50 0 IIAARN COc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000012924985 568859072 /nfs/dbraw/zinc/85/90/72/568859072.db2.gz KNDHHIYBCSVVTF-UHFFFAOYSA-N 0 0 437.550 4.313 50 0 IIAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000016007017 568862325 /nfs/dbraw/zinc/86/23/25/568862325.db2.gz ASXOBGZOIZMCIG-OAHLLOKOSA-N 0 0 443.953 4.309 50 0 IIAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000016010305 568862673 /nfs/dbraw/zinc/86/26/73/568862673.db2.gz NQTVUEYEHFTQIM-OAHLLOKOSA-N 0 0 443.953 4.309 50 0 IIAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012938509 568867593 /nfs/dbraw/zinc/86/75/93/568867593.db2.gz VPKHNAXAJNHWDH-UHFFFAOYSA-N 0 0 435.351 4.300 50 0 IIAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H]3c3nnc4ccccn43)c12 ZINC000012939148 568867962 /nfs/dbraw/zinc/86/79/62/568867962.db2.gz BYQMBCVEADRKTD-IBGZPJMESA-N 0 0 442.454 4.357 50 0 IIAARN CCOC(=O)c1cc(OC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OCC)c1 ZINC000016044053 568868589 /nfs/dbraw/zinc/86/85/89/568868589.db2.gz BYQTUHLWYWNBJS-UHFFFAOYSA-N 0 0 425.264 4.495 50 0 IIAARN CC[C@@H](C)[C@H](NC(=O)COc1cccc2c1ccn2CCOC)c1nc2ccccc2[nH]1 ZINC000575443055 568868694 /nfs/dbraw/zinc/86/86/94/568868694.db2.gz FHXIVKGWHFKBNE-OSPHWJPCSA-N 0 0 434.540 4.446 50 0 IIAARN CSCC[C@@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nnc2ccccn21 ZINC000575443267 568869053 /nfs/dbraw/zinc/86/90/53/568869053.db2.gz IFSOZDDERJNFHD-MSOLQXFVSA-N 0 0 425.583 4.182 50 0 IIAARN COc1ccc(N2C[C@H](NC(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000016047645 568869189 /nfs/dbraw/zinc/86/91/89/568869189.db2.gz IJTIPDIMEOTSRB-JOCHJYFZSA-N 0 0 443.547 4.322 50 0 IIAARN CC[C@H](C)[C@@H](NC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O)c1nc2ccccc2[nH]1 ZINC000575443563 568869572 /nfs/dbraw/zinc/86/95/72/568869572.db2.gz PLVYCSPASCMJJU-LZFQIVBZSA-N 0 0 436.556 4.038 50 0 IIAARN Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c(F)c1 ZINC000012941473 568869926 /nfs/dbraw/zinc/86/99/26/568869926.db2.gz DRZOJLXPWCWDPE-SANMLTNESA-N 0 0 443.478 4.252 50 0 IIAARN CCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)N1CCCC1 ZINC000012943565 568870465 /nfs/dbraw/zinc/87/04/65/568870465.db2.gz UDFXRGYLRPBBPG-UHFFFAOYSA-N 0 0 446.544 4.069 50 0 IIAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008130088 568877642 /nfs/dbraw/zinc/87/76/42/568877642.db2.gz XAXDTTGLUJIFAK-RBUKOAKNSA-N 0 0 427.618 4.135 50 0 IIAARN COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(OCC(C)C)cc3)nn2c1=O ZINC000006214005 568880259 /nfs/dbraw/zinc/88/02/59/568880259.db2.gz XFFZCPARJZNFTL-BPZAUWNOSA-N 0 0 433.533 4.074 50 0 IIAARN CN(C)[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575618716 568882309 /nfs/dbraw/zinc/88/23/09/568882309.db2.gz BHZXUOWRBVKLDY-KRWDZBQOSA-N 0 0 426.460 4.174 50 0 IIAARN COc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000006297714 568882317 /nfs/dbraw/zinc/88/23/17/568882317.db2.gz CZBGNDRHJVLPDG-UHFFFAOYSA-N 0 0 437.912 4.209 50 0 IIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000009445393 568883350 /nfs/dbraw/zinc/88/33/50/568883350.db2.gz ILEWMYMKHYZZED-HNNXBMFYSA-N 0 0 442.566 4.021 50 0 IIAARN COc1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(cccc3F)s2)cc1OC ZINC000010337713 568884386 /nfs/dbraw/zinc/88/43/86/568884386.db2.gz PCIAIPBTWMGTCN-UHFFFAOYSA-N 0 0 440.500 4.386 50 0 IIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCOCC1 ZINC000118918755 568886386 /nfs/dbraw/zinc/88/63/86/568886386.db2.gz SOVVOZGIBCKCDI-LVYWIKMTSA-N 0 0 431.617 4.232 50 0 biogenic IIAARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012998276 568887494 /nfs/dbraw/zinc/88/74/94/568887494.db2.gz AVVCHERCSHRRCK-FPYGCLRLSA-N 0 0 446.425 4.325 50 0 IIAARN CCCCN(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000006725158 568888445 /nfs/dbraw/zinc/88/84/45/568888445.db2.gz BKQOMLNHFFIYML-FCHUYYIVSA-N 0 0 428.504 4.012 50 0 IIAARN COc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2cccs2)n(C2CCCC2)n1 ZINC000090607084 568889702 /nfs/dbraw/zinc/88/97/02/568889702.db2.gz FSMHIXZMTYCUCA-UHFFFAOYSA-N 0 0 435.546 4.353 50 0 IIAARN CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1=O ZINC000012978409 568891851 /nfs/dbraw/zinc/89/18/51/568891851.db2.gz KEROGBPBBGNAHV-HOYKHHGWSA-N 0 0 444.959 4.369 50 0 IIAARN Cc1oc(-c2ccccc2)nc1Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000090610243 568892179 /nfs/dbraw/zinc/89/21/79/568892179.db2.gz RKNLRPYWWZXPMT-UHFFFAOYSA-N 0 0 447.491 4.424 50 0 IIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)/C=C/c1nc2ccccc2s1 ZINC000013059296 568892814 /nfs/dbraw/zinc/89/28/14/568892814.db2.gz NPQMECNCPBFNPJ-OUKQBFOZSA-N 0 0 432.505 4.294 50 0 IIAARN O=C(/C=C/c1ccccc1F)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000014074895 568892888 /nfs/dbraw/zinc/89/28/88/568892888.db2.gz JELPYMHIXWDQLU-WRJNCIKXSA-N 0 0 430.888 4.345 50 0 IIAARN CN(C)C(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000012981921 568894659 /nfs/dbraw/zinc/89/46/59/568894659.db2.gz VJVDTFQPIRPFAC-UHFFFAOYSA-N 0 0 432.137 4.227 50 0 IIAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000012991493 568896226 /nfs/dbraw/zinc/89/62/26/568896226.db2.gz TYIOMHYRJTUOBZ-CYBMUJFWSA-N 0 0 431.359 4.182 50 0 IIAARN Cc1nc2ccccc2nc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003440 568898573 /nfs/dbraw/zinc/89/85/73/568898573.db2.gz HFJJOTGJQWNQHE-KRWDZBQOSA-N 0 0 446.454 4.337 50 0 IIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000013005711 568899291 /nfs/dbraw/zinc/89/92/91/568899291.db2.gz CGYTYOVPQHRVLT-UHFFFAOYSA-N 0 0 429.270 4.365 50 0 IIAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000013022551 568902623 /nfs/dbraw/zinc/90/26/23/568902623.db2.gz IIRDCPXDCYSYJG-UHFFFAOYSA-N 0 0 440.544 4.103 50 0 IIAARN Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)cnc12 ZINC000016470453 568907827 /nfs/dbraw/zinc/90/78/27/568907827.db2.gz KLVYRGOYSHLBIC-UHFFFAOYSA-N 0 0 444.457 4.353 50 0 IIAARN COc1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1N1CCOC1=O ZINC000064321816 568908182 /nfs/dbraw/zinc/90/81/82/568908182.db2.gz CUMFVBBDOVDXRJ-UHFFFAOYSA-N 0 0 430.258 4.148 50 0 IIAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000239439200 568911737 /nfs/dbraw/zinc/91/17/37/568911737.db2.gz ZOJIDIFKCOZITF-TZRRMPRUSA-N 0 0 428.488 4.309 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245255476 568913747 /nfs/dbraw/zinc/91/37/47/568913747.db2.gz IOTZCKSJUFVLPC-MYGLTJDJSA-N 0 0 434.923 4.208 50 0 IIAARN CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O ZINC000248214172 568919142 /nfs/dbraw/zinc/91/91/42/568919142.db2.gz FOARPMTZBABSKS-NEWJYFPISA-N 0 0 428.532 4.253 50 0 IIAARN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cccc3cccnc32)cc1 ZINC000089438880 568924965 /nfs/dbraw/zinc/92/49/65/568924965.db2.gz ROVAXRXALXXMFR-HSZRJFAPSA-N 0 0 443.478 4.421 50 0 IIAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000016608737 568925399 /nfs/dbraw/zinc/92/53/99/568925399.db2.gz ULDQDYDKZYTNAJ-KCZVDYSFSA-N 0 0 449.576 4.127 50 0 IIAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)c3ccccc3)c2)C(C(=O)OC(C)C)=C1C ZINC000016609904 568925815 /nfs/dbraw/zinc/92/58/15/568925815.db2.gz CPFZQMSNICBCCH-NRFANRHFSA-N 0 0 437.565 4.416 50 0 IIAARN COc1cccc(C2=NC(=Cc3ccc(OCC(=O)c4ccccc4)c(OC)c3)C(=O)O2)c1 ZINC000089469708 568926419 /nfs/dbraw/zinc/92/64/19/568926419.db2.gz BLMDTFRDFSXCOH-FYJGNVAPSA-N 0 0 443.455 4.310 50 0 IIAARN Cc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC3)c1 ZINC000035815306 568927438 /nfs/dbraw/zinc/92/74/38/568927438.db2.gz BHXZZIOZWUNJEV-UHFFFAOYSA-N 0 0 428.414 4.354 50 0 IIAARN Cc1cccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)c1 ZINC000064438494 568928300 /nfs/dbraw/zinc/92/83/00/568928300.db2.gz KQCBKDIGHCSNOS-UHFFFAOYSA-N 0 0 441.531 4.329 50 0 IIAARN COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c(OC)c1 ZINC000064471934 568930094 /nfs/dbraw/zinc/93/00/94/568930094.db2.gz LTWWARWKKHHQCY-UHFFFAOYSA-N 0 0 427.501 4.324 50 0 IIAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064558018 568931881 /nfs/dbraw/zinc/93/18/81/568931881.db2.gz CZBIOBMFAQJHES-NRFANRHFSA-N 0 0 437.492 4.461 50 0 IIAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035945949 568932995 /nfs/dbraw/zinc/93/29/95/568932995.db2.gz LZDNBDWDTLBZHD-NRFANRHFSA-N 0 0 426.948 4.376 50 0 IIAARN Cc1cc(C)cc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c1 ZINC000064566180 568933030 /nfs/dbraw/zinc/93/30/30/568933030.db2.gz SGSLNLUTQGVGSR-UHFFFAOYSA-N 0 0 431.471 4.092 50 0 IIAARN CCn1c2cc(NC(=O)NCc3ccc(F)cc3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591097 568935478 /nfs/dbraw/zinc/93/54/78/568935478.db2.gz DRVNJXYSXWUENB-UHFFFAOYSA-N 0 0 439.535 4.294 50 0 IIAARN Cc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)c(C)c1 ZINC000064605258 568939285 /nfs/dbraw/zinc/93/92/85/568939285.db2.gz UGTMZPPWYINVCH-SFHVURJKSA-N 0 0 432.524 4.321 50 0 IIAARN Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)c(C)c1 ZINC000064605239 568939487 /nfs/dbraw/zinc/93/94/87/568939487.db2.gz RNWDZNDGTYBDHN-UHFFFAOYSA-N 0 0 432.524 4.069 50 0 IIAARN Cc1cc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2ccccn2)ccc1F ZINC000064611088 568939964 /nfs/dbraw/zinc/93/99/64/568939964.db2.gz APKBTFNTIUDBPN-UHFFFAOYSA-N 0 0 439.853 4.499 50 0 IIAARN CCNC(=O)N(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000035980898 568940263 /nfs/dbraw/zinc/94/02/63/568940263.db2.gz YIELBZNGEGYISN-UHFFFAOYSA-N 0 0 426.492 4.196 50 0 IIAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)NCCC(C)C)CC2)nc3=O)c1 ZINC000064611784 568941537 /nfs/dbraw/zinc/94/15/37/568941537.db2.gz PITQHXFQNZCQHY-UHFFFAOYSA-N 0 0 438.597 4.339 50 0 IIAARN COc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)cs2)c1N ZINC000064664277 568943578 /nfs/dbraw/zinc/94/35/78/568943578.db2.gz VSQAMVQEPGXWEN-UHFFFAOYSA-N 0 0 428.315 4.411 50 0 IIAARN CC[C@H](C)CN1C(=O)[C@H](CC(C)C)NC12CCN(C(=S)Nc1cccc(C)c1)CC2 ZINC000036032783 568943806 /nfs/dbraw/zinc/94/38/06/568943806.db2.gz SVAQYOLEMLLBOS-RXVVDRJESA-N 0 0 430.662 4.377 50 0 IIAARN CC[C@H](C)NC(=O)CN(C)c1nn2c(nc(-c3ccc(OC)cc3)c2NC(C)(C)C)s1 ZINC000064703500 568944327 /nfs/dbraw/zinc/94/43/27/568944327.db2.gz GSINSWCVFNZVLH-AWEZNQCLSA-N 0 0 444.605 4.028 50 0 IIAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)n1 ZINC000036065778 568945109 /nfs/dbraw/zinc/94/51/09/568945109.db2.gz CIDXGBPRCPOXAL-INIZCTEOSA-N 0 0 439.487 4.273 50 0 IIAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)Cc1cccc(F)c1 ZINC000036073505 568945882 /nfs/dbraw/zinc/94/58/82/568945882.db2.gz DOTGBZJPBVZHTF-GCJKJVERSA-N 0 0 437.515 4.486 50 0 IIAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cc(OC)ccc2OC)n1 ZINC000036073659 568946521 /nfs/dbraw/zinc/94/65/21/568946521.db2.gz XUWTWUWPCKOOQR-SFHVURJKSA-N 0 0 437.540 4.423 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083434 568947021 /nfs/dbraw/zinc/94/70/21/568947021.db2.gz FBIRSHZCSNKNOG-OAQYLSRUSA-N 0 0 444.915 4.331 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036083554 568947228 /nfs/dbraw/zinc/94/72/28/568947228.db2.gz RLWUKKMCEALTTB-FQEVSTJZSA-N 0 0 430.501 4.140 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036083586 568947232 /nfs/dbraw/zinc/94/72/32/568947232.db2.gz GFABCVWVLRMLJN-HSZRJFAPSA-N 0 0 436.508 4.098 50 0 IIAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000036083723 568947437 /nfs/dbraw/zinc/94/74/37/568947437.db2.gz YRZRRTBYMUWKQM-FQEVSTJZSA-N 0 0 432.879 4.462 50 0 IIAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083891 568947642 /nfs/dbraw/zinc/94/76/42/568947642.db2.gz WZFJOIKUBBVTCW-QHCPKHFHSA-N 0 0 438.524 4.294 50 0 IIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747137 568949894 /nfs/dbraw/zinc/94/98/94/568949894.db2.gz PVGCXPGFPRHVKU-OAHLLOKOSA-N 0 0 431.370 4.461 50 0 IIAARN CCCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1cccc(OC)c1OC)CC2 ZINC000064754478 568950783 /nfs/dbraw/zinc/95/07/83/568950783.db2.gz BQPIQKDOWBBGTE-UHFFFAOYSA-N 0 0 448.519 4.326 50 0 IIAARN O=C(Nc1ccccc1)c1cccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)c1 ZINC000064754661 568951050 /nfs/dbraw/zinc/95/10/50/568951050.db2.gz ASECGFMDNZZJMX-LJQANCHMSA-N 0 0 447.922 4.262 50 0 IIAARN CCN1c2ccc(CNC(=O)c3ccc(OC)cc3OC)cc2Sc2ncccc2C1=O ZINC000064759611 568952141 /nfs/dbraw/zinc/95/21/41/568952141.db2.gz MBBILJVCNYMEFK-UHFFFAOYSA-N 0 0 449.532 4.160 50 0 IIAARN COCCNc1c(-c2ccc(C)cc2)nc2sc(C(=O)NCc3ccncc3)c(C)n21 ZINC000064761231 568952309 /nfs/dbraw/zinc/95/23/09/568952309.db2.gz INYZUWFHDGEQFH-UHFFFAOYSA-N 0 0 435.553 4.063 50 0 IIAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccc(Br)o1 ZINC000064775759 568954879 /nfs/dbraw/zinc/95/48/79/568954879.db2.gz LVMMYEMQEMCYGS-UHFFFAOYSA-N 0 0 425.282 4.175 50 0 IIAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](/C=C/c2ccccc2)OCC3(C)C)c(=O)n(C)c1=O ZINC000064788098 568956425 /nfs/dbraw/zinc/95/64/25/568956425.db2.gz RVZHOWIKRWAPJF-UHPIZROJSA-N 0 0 441.531 4.226 50 0 IIAARN Cc1ccc([C@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788257 568956655 /nfs/dbraw/zinc/95/66/55/568956655.db2.gz QRIQNYOKNZZRKV-XMMPIXPASA-N 0 0 443.547 4.177 50 0 IIAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)cc1 ZINC000036119945 568956993 /nfs/dbraw/zinc/95/69/93/568956993.db2.gz FUCVQINBYDZBEF-OAQYLSRUSA-N 0 0 426.582 4.208 50 0 IIAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C1CC1 ZINC000036120288 568957022 /nfs/dbraw/zinc/95/70/22/568957022.db2.gz WHHSCGPNZGDTFC-HXUWFJFHSA-N 0 0 444.572 4.287 50 0 IIAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)Cc1ccco1 ZINC000036119834 568957120 /nfs/dbraw/zinc/95/71/20/568957120.db2.gz ZJVGGBVWKJNYOM-QFIPXVFZSA-N 0 0 438.549 4.203 50 0 IIAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)CC(C)C ZINC000036121983 568957985 /nfs/dbraw/zinc/95/79/85/568957985.db2.gz CRNZPECUKQAYJA-HXUWFJFHSA-N 0 0 428.598 4.456 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036122862 568958540 /nfs/dbraw/zinc/95/85/40/568958540.db2.gz XJKYQNGXMMTWCQ-NRFANRHFSA-N 0 0 443.613 4.393 50 0 IIAARN CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036124000 568958767 /nfs/dbraw/zinc/95/87/67/568958767.db2.gz HDBIFZFMUPFVCY-FQEVSTJZSA-N 0 0 443.613 4.393 50 0 IIAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCC[C@H]2C)cc1 ZINC000064793257 568959538 /nfs/dbraw/zinc/95/95/38/568959538.db2.gz JGNBTTRLTFIFBM-YKSBVNFPSA-N 0 0 442.567 4.141 50 0 IIAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c(OC)c1 ZINC000064798135 568960446 /nfs/dbraw/zinc/96/04/46/568960446.db2.gz JSWPSMNVZROSFM-MRXNPFEDSA-N 0 0 429.519 4.072 50 0 IIAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064798987 568960564 /nfs/dbraw/zinc/96/05/64/568960564.db2.gz PFRAJRJKFBPVPO-KRWDZBQOSA-N 0 0 429.519 4.072 50 0 IIAARN CCOc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1O ZINC000064798412 568960565 /nfs/dbraw/zinc/96/05/65/568960565.db2.gz MJAJWJPEOAIPIS-INIZCTEOSA-N 0 0 443.546 4.468 50 0 IIAARN COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146432 568962764 /nfs/dbraw/zinc/96/27/64/568962764.db2.gz JXRLMHSLBVGCKH-RSXGOPAZSA-N 0 0 448.538 4.433 50 0 IIAARN COc1cccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146436 568962845 /nfs/dbraw/zinc/96/28/45/568962845.db2.gz NCVGVSRNJSODEI-GGAORHGYSA-N 0 0 444.547 4.006 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)cc1 ZINC000064819373 568966208 /nfs/dbraw/zinc/96/62/08/568966208.db2.gz BQFPUSRHFONUMV-UHFFFAOYSA-N 0 0 440.503 4.247 50 0 IIAARN CCN(CC)c1nc2cc(C(=O)NCCC(C)C)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000064819638 568966579 /nfs/dbraw/zinc/96/65/79/568966579.db2.gz RHMUHLRPVKMFJX-UHFFFAOYSA-N 0 0 434.584 4.375 50 0 IIAARN O=C([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000064820416 568967289 /nfs/dbraw/zinc/96/72/89/568967289.db2.gz SLYZZQKYQKRHFF-QGZVFWFLSA-N 0 0 425.504 4.088 50 0 IIAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2C[C@H]1C ZINC000006730152 568967497 /nfs/dbraw/zinc/96/74/97/568967497.db2.gz WHFVDZYYWOLCPZ-GOSISDBHSA-N 0 0 426.582 4.018 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036163167 568967876 /nfs/dbraw/zinc/96/78/76/568967876.db2.gz FVPDWHQCGNLVLN-JOCHJYFZSA-N 0 0 445.972 4.215 50 0 IIAARN COc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036164538 568968002 /nfs/dbraw/zinc/96/80/02/568968002.db2.gz FVYKERWIRLCXQA-VWLOTQADSA-N 0 0 448.519 4.423 50 0 IIAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1cccc(F)c1 ZINC000036166216 568968487 /nfs/dbraw/zinc/96/84/87/568968487.db2.gz ZZWMNAZDEFJDOI-HSZRJFAPSA-N 0 0 438.480 4.016 50 0 IIAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000064835770 568968991 /nfs/dbraw/zinc/96/89/91/568968991.db2.gz AKRIUMAQDYFQOX-UHFFFAOYSA-N 0 0 445.972 4.118 50 0 IIAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000006740710 568970223 /nfs/dbraw/zinc/97/02/23/568970223.db2.gz DGPUJSRJMCPZJT-QFIPXVFZSA-N 0 0 426.488 4.425 50 0 IIAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)cc3OC)CC1)c1cccn1-2 ZINC000064848254 568971588 /nfs/dbraw/zinc/97/15/88/568971588.db2.gz PAYTUDDANWSJNZ-UHFFFAOYSA-N 0 0 433.508 4.060 50 0 biogenic IIAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)N2 ZINC000064848206 568971612 /nfs/dbraw/zinc/97/16/12/568971612.db2.gz IKEYIIDOAMCSOE-UHFFFAOYSA-N 0 0 443.519 4.478 50 0 biogenic IIAARN Cc1sc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1ccno1 ZINC000064845064 568972072 /nfs/dbraw/zinc/97/20/72/568972072.db2.gz ZQPCSGSNYUEQQQ-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862317 568974022 /nfs/dbraw/zinc/97/40/22/568974022.db2.gz SACSQNSLXIRSQH-UHFFFAOYSA-N 0 0 427.570 4.225 50 0 IIAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N(C)Cc3ccccc3)c2)c1C ZINC000064867069 568974800 /nfs/dbraw/zinc/97/48/00/568974800.db2.gz XJCSESGWPDWKSG-UHFFFAOYSA-N 0 0 426.538 4.089 50 0 IIAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1Cl ZINC000064867001 568974870 /nfs/dbraw/zinc/97/48/70/568974870.db2.gz RWGUMPKHSKHBJX-UHFFFAOYSA-N 0 0 448.928 4.423 50 0 IIAARN CCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036215346 568977407 /nfs/dbraw/zinc/97/74/07/568977407.db2.gz XMUKGLKTPKTCFQ-NHCUHLMSSA-N 0 0 441.503 4.009 50 0 IIAARN Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)C(C)C)c3)[C@H]2C(=O)NC(C)C)cc1 ZINC000036218802 568977605 /nfs/dbraw/zinc/97/76/05/568977605.db2.gz WNSMYITZXOFQSM-VXKWHMMOSA-N 0 0 437.540 4.176 50 0 IIAARN CC(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000036216750 568977763 /nfs/dbraw/zinc/97/77/63/568977763.db2.gz NRXKYPGLONLLKT-XZOQPEGZSA-N 0 0 437.540 4.178 50 0 IIAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)n2)c1 ZINC000064873260 568978279 /nfs/dbraw/zinc/97/82/79/568978279.db2.gz AOSRTDFKIOHROF-UHFFFAOYSA-N 0 0 443.478 4.189 50 0 IIAARN COc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1Cl ZINC000064888208 568979398 /nfs/dbraw/zinc/97/93/98/568979398.db2.gz ZTLVZAFDPLLCOL-UHFFFAOYSA-N 0 0 441.940 4.344 50 0 IIAARN CCCn1c2ccc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)cc2nc(C)c1=O ZINC000064890417 568981269 /nfs/dbraw/zinc/98/12/69/568981269.db2.gz DHZSLIMPDOYEQJ-YRNVUSSQSA-N 0 0 432.480 4.353 50 0 IIAARN COc1ccc(OCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1 ZINC000064890532 568981335 /nfs/dbraw/zinc/98/13/35/568981335.db2.gz HGENFLLKHOOKRZ-UHFFFAOYSA-N 0 0 432.480 4.458 50 0 IIAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1C ZINC000064891923 568982733 /nfs/dbraw/zinc/98/27/33/568982733.db2.gz VBKPHISIJPYZMA-UHFFFAOYSA-N 0 0 438.915 4.103 50 0 IIAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC000064892382 568982882 /nfs/dbraw/zinc/98/28/82/568982882.db2.gz OYFSZJXYTSQIAJ-UHFFFAOYSA-N 0 0 448.488 4.320 50 0 IIAARN CCc1nc2cc(Cl)ccc2c(N(CCOC)CCC(=O)NCc2ccccc2)n1 ZINC000006773312 568983578 /nfs/dbraw/zinc/98/35/78/568983578.db2.gz BORHTHLZRDZXTL-UHFFFAOYSA-N 0 0 426.948 4.005 50 0 IIAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000006773654 568983580 /nfs/dbraw/zinc/98/35/80/568983580.db2.gz XABOLVUMYYGDAW-UHFFFAOYSA-N 0 0 426.492 4.473 50 0 IIAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036252434 568984232 /nfs/dbraw/zinc/98/42/32/568984232.db2.gz WTFVHCFUCHMJLU-IZZNHLLZSA-N 0 0 445.607 4.197 50 0 IIAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1-n1nnc2cccnc21 ZINC000064925561 568986675 /nfs/dbraw/zinc/98/66/75/568986675.db2.gz KKTFOJIXYLUROI-UHFFFAOYSA-N 0 0 446.942 4.048 50 0 IIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930170 568988028 /nfs/dbraw/zinc/98/80/28/568988028.db2.gz LHSHNMLMLQXLOO-KRWDZBQOSA-N 0 0 444.919 4.489 50 0 IIAARN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3Cl)C[C@@H]12 ZINC000169677282 568989648 /nfs/dbraw/zinc/98/96/48/568989648.db2.gz JQWHOEFSJLCMJX-JXFKEZNVSA-N 0 0 437.893 4.362 50 0 IIAARN COc1ccc(NC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)cc1F ZINC000169681178 568991732 /nfs/dbraw/zinc/99/17/32/568991732.db2.gz AXUPHQZRKWZVMW-UHFFFAOYSA-N 0 0 442.450 4.098 50 0 IIAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1 ZINC000064944338 568993273 /nfs/dbraw/zinc/99/32/73/568993273.db2.gz USABLHGFQQWYQT-UHFFFAOYSA-N 0 0 441.582 4.256 50 0 IIAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)NCc3cccs3)c2s1 ZINC000064944510 568993476 /nfs/dbraw/zinc/99/34/76/568993476.db2.gz FVDHCEMMGBIIKN-UHFFFAOYSA-N 0 0 441.607 4.193 50 0 IIAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1C ZINC000064947453 568995171 /nfs/dbraw/zinc/99/51/71/568995171.db2.gz ZOIOTEOEWBYVGC-UHFFFAOYSA-N 0 0 426.523 4.302 50 0 IIAARN Cc1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310797 568996765 /nfs/dbraw/zinc/99/67/65/568996765.db2.gz DNMYJZKMTWDWQR-OFNKIYASSA-N 0 0 426.605 4.104 50 0 IIAARN Cc1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310795 568996924 /nfs/dbraw/zinc/99/69/24/568996924.db2.gz DNMYJZKMTWDWQR-REWPJTCUSA-N 0 0 426.605 4.104 50 0 IIAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)Cc1ccccc1 ZINC000036314300 568999084 /nfs/dbraw/zinc/99/90/84/568999084.db2.gz OMZMVLDIXNGISF-UHFFFAOYSA-N 0 0 433.552 4.468 50 0 IIAARN Cc1ccc(C)c(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000064959682 569000012 /nfs/dbraw/zinc/00/00/12/569000012.db2.gz HRKGBGMJORVPRZ-UHFFFAOYSA-N 0 0 436.943 4.129 50 0 IIAARN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971006 569076479 /nfs/dbraw/zinc/07/64/79/569076479.db2.gz WLMFEXQCMVPMCK-FQEVSTJZSA-N 0 0 445.523 4.106 50 0 IIAARN CSc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)c1 ZINC000064972078 569076694 /nfs/dbraw/zinc/07/66/94/569076694.db2.gz IZLKMXNBSWWYTJ-JOCHJYFZSA-N 0 0 438.574 4.163 50 0 IIAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000064971756 569076849 /nfs/dbraw/zinc/07/68/49/569076849.db2.gz LMRDJHGVKUBCST-UHFFFAOYSA-N 0 0 436.418 4.099 50 0 IIAARN Cc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1-c1nc(-c2cccc(Cl)c2)no1 ZINC000064971929 569076866 /nfs/dbraw/zinc/07/68/66/569076866.db2.gz MWLQVUWMHLBDMG-UHFFFAOYSA-N 0 0 440.931 4.284 50 0 IIAARN Cc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000064972258 569076959 /nfs/dbraw/zinc/07/69/59/569076959.db2.gz YCTNFMWBRIHJHZ-JOCHJYFZSA-N 0 0 438.524 4.197 50 0 IIAARN CCc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000064972213 569076972 /nfs/dbraw/zinc/07/69/72/569076972.db2.gz FZZKMCQVANRUFW-DEOSSOPVSA-N 0 0 434.561 4.312 50 0 IIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5OC)oc4C)ccn3n2)cc1 ZINC000064977393 569077027 /nfs/dbraw/zinc/07/70/27/569077027.db2.gz LOCWCUOAGSLUCI-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)oc4C)ccn3n2)cc1 ZINC000064977395 569077052 /nfs/dbraw/zinc/07/70/52/569077052.db2.gz UWUCOXGOXASFHI-UHFFFAOYSA-N 0 0 442.475 4.192 50 0 IIAARN O=C(Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1)c1ccccc1F ZINC000064976682 569077107 /nfs/dbraw/zinc/07/71/07/569077107.db2.gz HZMDCUGXFCFOAW-UHFFFAOYSA-N 0 0 429.860 4.380 50 0 IIAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000064976719 569077153 /nfs/dbraw/zinc/07/71/53/569077153.db2.gz XHAGXNYSDISSNM-UHFFFAOYSA-N 0 0 449.532 4.278 50 0 IIAARN CCOc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3ccsc3n2)cc1 ZINC000064976738 569077277 /nfs/dbraw/zinc/07/72/77/569077277.db2.gz YYEMRHCYWHMSDF-UHFFFAOYSA-N 0 0 435.505 4.294 50 0 IIAARN COc1ccccc1C(=O)Nc1ccc(C)cc1OCc1cc(=O)n2cc(C)sc2n1 ZINC000064976886 569077374 /nfs/dbraw/zinc/07/73/74/569077374.db2.gz OUHUONCAXOTMKW-UHFFFAOYSA-N 0 0 435.505 4.213 50 0 IIAARN O=C(c1ccccc1)N1CCc2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000064976958 569077395 /nfs/dbraw/zinc/07/73/95/569077395.db2.gz XZRAXPIAXIYNOV-UHFFFAOYSA-N 0 0 426.925 4.021 50 0 IIAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccc(Cl)cc1)c(C)n2C ZINC000064977706 569077599 /nfs/dbraw/zinc/07/75/99/569077599.db2.gz AUUKWTDMMWNOFR-UHFFFAOYSA-N 0 0 448.954 4.219 50 0 IIAARN CCc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccc(OC)cc4)nn3c2=O)cc1 ZINC000064977714 569077618 /nfs/dbraw/zinc/07/76/18/569077618.db2.gz OOHXCEOVAXVGKO-UHFFFAOYSA-N 0 0 444.535 4.151 50 0 IIAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4cc5ccccc5oc4=O)ccc32)c1 ZINC000064978350 569077797 /nfs/dbraw/zinc/07/77/97/569077797.db2.gz AKNNWJVTNDOAQU-UHFFFAOYSA-N 0 0 438.483 4.234 50 0 IIAARN O=C(CN1CCCCC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341793 569078913 /nfs/dbraw/zinc/07/89/13/569078913.db2.gz UAHWEEMXDBHQLM-FQEVSTJZSA-N 0 0 425.916 4.232 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccc(C)c3)Oc3ccc(C)cc32)cc1 ZINC000064985792 569082094 /nfs/dbraw/zinc/08/20/94/569082094.db2.gz UKVLHXUVWSYVGU-HSZRJFAPSA-N 0 0 436.533 4.207 50 0 IIAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3F)Oc3ccc(C)cc32)cc1 ZINC000064985873 569082134 /nfs/dbraw/zinc/08/21/34/569082134.db2.gz KLGRVKWUORHMPW-JOCHJYFZSA-N 0 0 440.496 4.038 50 0 IIAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000064987173 569082365 /nfs/dbraw/zinc/08/23/65/569082365.db2.gz KMRGLYBEOCIULA-UHFFFAOYSA-N 0 0 438.553 4.102 50 0 IIAARN COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990069 569083143 /nfs/dbraw/zinc/08/31/43/569083143.db2.gz YQRZZURINZWNQP-UHFFFAOYSA-N 0 0 430.504 4.145 50 0 IIAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cc2N1C(=O)c1ccccc1 ZINC000064990644 569083306 /nfs/dbraw/zinc/08/33/06/569083306.db2.gz AURIUVHGAHZSPC-INIZCTEOSA-N 0 0 429.476 4.328 50 0 IIAARN O=C(NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)Nc1ccccc1C(F)(F)F ZINC000064991275 569083555 /nfs/dbraw/zinc/08/35/55/569083555.db2.gz MRCTYCCFNHKAHT-UHFFFAOYSA-N 0 0 439.394 4.270 50 0 IIAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)N4CCc5ccccc5C4)s3)c2C)c1 ZINC000064998617 569085376 /nfs/dbraw/zinc/08/53/76/569085376.db2.gz 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COC(=O)c1sccc1NC(=O)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1 ZINC000065225381 569117793 /nfs/dbraw/zinc/11/77/93/569117793.db2.gz OWJLXPWSPALYIX-UHFFFAOYSA-N 0 0 430.917 4.489 50 0 IIAARN CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccc1 ZINC000036569360 569118606 /nfs/dbraw/zinc/11/86/06/569118606.db2.gz SOTABTYAIRNVRH-OAQYLSRUSA-N 0 0 432.549 4.158 50 0 IIAARN Cc1nc(CC(=O)NCc2ccc(F)cc2Cl)sc1C(=O)NCc1ccccc1 ZINC000065232942 569119124 /nfs/dbraw/zinc/11/91/24/569119124.db2.gz STBQRHIQDHIQAY-UHFFFAOYSA-N 0 0 431.920 4.033 50 0 IIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)Sc1ncccc1C(=O)N2C1CC1 ZINC000065241468 569120922 /nfs/dbraw/zinc/12/09/22/569120922.db2.gz TXFCGJSSVIDAGX-UHFFFAOYSA-N 0 0 445.500 4.379 50 0 IIAARN CCn1c2ccccc2c2cc(NC(=O)CC[C@H]3NC(=O)N(Cc4ccco4)C3=O)ccc21 ZINC000036594966 569121395 /nfs/dbraw/zinc/12/13/95/569121395.db2.gz FFWKDEQFVIPSCX-HXUWFJFHSA-N 0 0 444.491 4.451 50 0 IIAARN Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251506 569122026 /nfs/dbraw/zinc/12/20/26/569122026.db2.gz NPEHNQWRZBIGKU-ZDUSSCGKSA-N 0 0 432.459 4.133 50 0 IIAARN Cc1nc(-c2noc(-c3ccccc3)n2)cn1CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000065250281 569122146 /nfs/dbraw/zinc/12/21/46/569122146.db2.gz QWHUGSLGQBUHOH-UHFFFAOYSA-N 0 0 425.851 4.017 50 0 IIAARN O=C(Nc1cccc(F)c1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1 ZINC000065250786 569122177 /nfs/dbraw/zinc/12/21/77/569122177.db2.gz BJXPBYDGZAYWEO-UHFFFAOYSA-N 0 0 426.411 4.376 50 0 IIAARN CCn1cc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)c(C)n1 ZINC000036615808 569122663 /nfs/dbraw/zinc/12/26/63/569122663.db2.gz CKPGTQGKLQZTBF-AWEZNQCLSA-N 0 0 432.503 4.453 50 0 IIAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(N(C)Cc2cnn(C)c2)cc1 ZINC000036616702 569122861 /nfs/dbraw/zinc/12/28/61/569122861.db2.gz GDVKPXONFSIGDE-UHFFFAOYSA-N 0 0 443.555 4.341 50 0 IIAARN COCn1nc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1C ZINC000036616739 569122866 /nfs/dbraw/zinc/12/28/66/569122866.db2.gz WWEMNWFECSGCMS-UHFFFAOYSA-N 0 0 430.512 4.276 50 0 IIAARN COc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)c1 ZINC000065255475 569122869 /nfs/dbraw/zinc/12/28/69/569122869.db2.gz FZMVKNHLTNJNTK-UHFFFAOYSA-N 0 0 429.885 4.206 50 0 IIAARN CCOc1ccc(C(=O)N2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)cc1 ZINC000065258021 569124212 /nfs/dbraw/zinc/12/42/12/569124212.db2.gz POSYNRUNRYIHGZ-UHFFFAOYSA-N 0 0 435.528 4.006 50 0 IIAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(OC)c(F)c4)CCCCC3)n2)cc1 ZINC000065257878 569124253 /nfs/dbraw/zinc/12/42/53/569124253.db2.gz YMZKNMDNBUKYJG-UHFFFAOYSA-N 0 0 425.460 4.482 50 0 IIAARN COc1ccc(OCC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC2CCCC2)cc1 ZINC000065260007 569125036 /nfs/dbraw/zinc/12/50/36/569125036.db2.gz CLPIKEYUEJWYLF-SANMLTNESA-N 0 0 448.567 4.123 50 0 IIAARN COC(=O)c1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000013135087 569125507 /nfs/dbraw/zinc/12/55/07/569125507.db2.gz GOOSCFRHQXTXLT-UHFFFAOYSA-N 0 0 444.534 4.137 50 0 IIAARN Cc1ccc(NC(=O)CCn2c3nn(CC(C)C)cc3c(C(F)(F)F)cc2=O)cc1F ZINC000036621683 569126444 /nfs/dbraw/zinc/12/64/44/569126444.db2.gz QOZKNJPUYOKJHB-UHFFFAOYSA-N 0 0 438.425 4.349 50 0 IIAARN COc1cccc(CNC(=O)[C@@H]2CN(C(=O)c3cccs3)CC23CCCCC3)c1OC ZINC000065266277 569127492 /nfs/dbraw/zinc/12/74/92/569127492.db2.gz WJKZYFDWLMESNX-SFHVURJKSA-N 0 0 442.581 4.104 50 0 biogenic IIAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccncc2)N1Cc1ccc(C(F)(F)F)cc1 ZINC000065273868 569128241 /nfs/dbraw/zinc/12/82/41/569128241.db2.gz OLKHXKYYPACJQM-OAQYLSRUSA-N 0 0 431.458 4.345 50 0 IIAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCc3ccc(C)c(C)c3)sc12 ZINC000065294008 569131198 /nfs/dbraw/zinc/13/11/98/569131198.db2.gz KXRMTUBJRDWLOT-UHFFFAOYSA-N 0 0 433.581 4.468 50 0 IIAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCN(C(=O)c4ccccc4C)CC3)sc12 ZINC000065297282 569131718 /nfs/dbraw/zinc/13/17/18/569131718.db2.gz DARHTZYMFBCPGG-UHFFFAOYSA-N 0 0 431.565 4.370 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)sc12 ZINC000065297013 569131732 /nfs/dbraw/zinc/13/17/32/569131732.db2.gz UNGPOEYWIPUSKE-UHFFFAOYSA-N 0 0 439.491 4.031 50 0 IIAARN COc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)cc1 ZINC000065297295 569131733 /nfs/dbraw/zinc/13/17/33/569131733.db2.gz VTNFHPXCIAZLMC-UHFFFAOYSA-N 0 0 447.564 4.070 50 0 IIAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)C4CCCC4)CC3)sc12 ZINC000065299655 569132145 /nfs/dbraw/zinc/13/21/45/569132145.db2.gz HZJVWUQMGUYJAB-UHFFFAOYSA-N 0 0 427.549 4.205 50 0 IIAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(F)ccc1F)N2 ZINC000065298635 569132161 /nfs/dbraw/zinc/13/21/61/569132161.db2.gz CFSIHCAUHXNDFB-FQEVSTJZSA-N 0 0 429.467 4.143 50 0 biogenic IIAARN COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)Nc4ccc5c(c4)OCO5)C3)s2)cc1 ZINC000036705294 569134394 /nfs/dbraw/zinc/13/43/94/569134394.db2.gz MQCGHJYOXPVZEP-OAHLLOKOSA-N 0 0 438.509 4.354 50 0 IIAARN COCCNc1c(-c2cc(OC)c(O)c(OC)c2)nc2sc3cc(OC)ccc3n21 ZINC000065319346 569134752 /nfs/dbraw/zinc/13/47/52/569134752.db2.gz HIBIJOCWZNTSBU-UHFFFAOYSA-N 0 0 429.498 4.006 50 0 IIAARN O=C(c1nc2ccccc2s1)N1CCN(CCc2nc(-c3cccs3)cs2)CC1 ZINC000036709036 569136148 /nfs/dbraw/zinc/13/61/48/569136148.db2.gz BAWCXNAAQZDNEM-UHFFFAOYSA-N 0 0 440.619 4.482 50 0 IIAARN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3nc(-c4cccc(C)c4)no3)CC2=O)cc1 ZINC000065320379 569136152 /nfs/dbraw/zinc/13/61/52/569136152.db2.gz LDJZVANPZWPBPZ-CTNGQTDRSA-N 0 0 430.508 4.070 50 0 IIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 ZINC000065320278 569136168 /nfs/dbraw/zinc/13/61/68/569136168.db2.gz KVRQENBJUFCERU-FPOVZHCZSA-N 0 0 430.508 4.070 50 0 IIAARN CS(=O)(=O)Nc1cccc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1 ZINC000036753764 569137610 /nfs/dbraw/zinc/13/76/10/569137610.db2.gz FPRNUTHSBZSIPO-UHFFFAOYSA-N 0 0 443.594 4.087 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N[C@H](C)c1ccccn1 ZINC000036806749 569138094 /nfs/dbraw/zinc/13/80/94/569138094.db2.gz IZGQWTIUIYOLJA-MRXNPFEDSA-N 0 0 443.507 4.336 50 0 IIAARN CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccncc1 ZINC000036805800 569138103 /nfs/dbraw/zinc/13/81/03/569138103.db2.gz QIFHWVTZJXEZQP-UHFFFAOYSA-N 0 0 439.875 4.346 50 0 IIAARN CCOC(=O)c1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2CCCOC)nc1 ZINC000036829763 569138380 /nfs/dbraw/zinc/13/83/80/569138380.db2.gz HPGYUTMAHIVRNI-UHFFFAOYSA-N 0 0 432.933 4.358 50 0 IIAARN Cc1c(C(=O)OCc2ccccc2Oc2cccnc2)sc2nc3n(c(=O)c12)CCC3 ZINC000065589408 569139961 /nfs/dbraw/zinc/13/99/61/569139961.db2.gz XJFAZQLCWSARTJ-UHFFFAOYSA-N 0 0 433.489 4.257 50 0 IIAARN C[C@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000037210459 569140869 /nfs/dbraw/zinc/14/08/69/569140869.db2.gz ULRBRDDTKXDNLD-WMZOPIPTSA-N 0 0 437.565 4.124 50 0 IIAARN O=C(N[C@@H]1CC[C@@H](C(=O)Nc2nc(CN3CCCCC3)cs2)C1)OCc1ccccc1 ZINC000170595334 569141554 /nfs/dbraw/zinc/14/15/54/569141554.db2.gz YJDYHHQKPXCARW-RTBURBONSA-N 0 0 442.585 4.163 50 0 IIAARN O=C(N[C@@H]1CC[C@H](C(=O)Nc2nc(CN3CCCCC3)cs2)C1)OCc1ccccc1 ZINC000170595332 569141579 /nfs/dbraw/zinc/14/15/79/569141579.db2.gz YJDYHHQKPXCARW-RBUKOAKNSA-N 0 0 442.585 4.163 50 0 IIAARN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2csc(C(C)C)n2)C1(C)C ZINC000170602215 569143425 /nfs/dbraw/zinc/14/34/25/569143425.db2.gz QXGQKIUQUDPVSY-ZHRRBRCNSA-N 0 0 439.622 4.024 50 0 IIAARN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1Cl ZINC000170604878 569143600 /nfs/dbraw/zinc/14/36/00/569143600.db2.gz LLLWAYIIRRSZRK-UHFFFAOYSA-N 0 0 429.904 4.329 50 0 IIAARN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000170605323 569143738 /nfs/dbraw/zinc/14/37/38/569143738.db2.gz REPAQKDGKJEGDA-UHFFFAOYSA-N 0 0 441.207 4.484 50 0 IIAARN C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606027 569143905 /nfs/dbraw/zinc/14/39/05/569143905.db2.gz UQQWFCSWCNVVSX-IFXJQAMLSA-N 0 0 427.346 4.319 50 0 IIAARN Cc1ccccc1-c1cc(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n(C)n1 ZINC000170609262 569144714 /nfs/dbraw/zinc/14/47/14/569144714.db2.gz OAKGUHVKOFBVNO-UHFFFAOYSA-N 0 0 425.432 4.236 50 0 IIAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c1 ZINC000170615337 569146523 /nfs/dbraw/zinc/14/65/23/569146523.db2.gz NGFQNYDAHJIDHK-QHCPKHFHSA-N 0 0 440.496 4.383 50 0 IIAARN CCCc1cc(N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)n2ncnc2n1 ZINC000170616193 569146629 /nfs/dbraw/zinc/14/66/29/569146629.db2.gz MVSKKJCILXLGHB-GFCCVEGCSA-N 0 0 426.322 4.403 50 0 IIAARN COc1cc(CNc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OCCC(C)C ZINC000170616139 569146827 /nfs/dbraw/zinc/14/68/27/569146827.db2.gz PHHJJAMIEBOWBA-UHFFFAOYSA-N 0 0 425.573 4.120 50 0 IIAARN O=C(COc1ccc(Cl)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000170618640 569147207 /nfs/dbraw/zinc/14/72/07/569147207.db2.gz AAQFANJHIPHSKQ-UHFFFAOYSA-N 0 0 429.822 4.128 50 0 IIAARN COc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccco3)n2)cc1OC ZINC000037328500 569148349 /nfs/dbraw/zinc/14/83/49/569148349.db2.gz BRAZMMLVHYLHNM-UHFFFAOYSA-N 0 0 433.464 4.232 50 0 IIAARN Cc1nc2cc(F)cc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2nc1C ZINC000071186110 569149368 /nfs/dbraw/zinc/14/93/68/569149368.db2.gz HESWIFKIEYEIOD-STQMWFEESA-N 0 0 426.467 4.391 50 0 IIAARN COc1ccc(CCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)cc1OC ZINC000009882076 569149523 /nfs/dbraw/zinc/14/95/23/569149523.db2.gz JVZIZWPAHCWQSW-UHFFFAOYSA-N 0 0 448.548 4.240 50 0 biogenic IIAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1 ZINC000010026807 569151651 /nfs/dbraw/zinc/15/16/51/569151651.db2.gz LAYSKXMBRQNDCU-NRFANRHFSA-N 0 0 447.520 4.239 50 0 IIAARN O=C(Cn1ncc2ccccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000010220081 569152849 /nfs/dbraw/zinc/15/28/49/569152849.db2.gz MDLXKIFVXSBUTK-HXUWFJFHSA-N 0 0 432.867 4.021 50 0 IIAARN O=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010217252 569153263 /nfs/dbraw/zinc/15/32/63/569153263.db2.gz IMOFQWLWHDPJDP-UHFFFAOYSA-N 0 0 449.557 4.296 50 0 IIAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000010218514 569153505 /nfs/dbraw/zinc/15/35/05/569153505.db2.gz FAHYBVXKVYSXFT-UHFFFAOYSA-N 0 0 444.534 4.040 50 0 IIAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 ZINC000010219299 569153755 /nfs/dbraw/zinc/15/37/55/569153755.db2.gz HFJAYSFWYPZFMF-UHFFFAOYSA-N 0 0 430.551 4.355 50 0 IIAARN O=C(NCc1ccccc1)NC1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCCC1 ZINC000071821371 569154656 /nfs/dbraw/zinc/15/46/56/569154656.db2.gz YMYXIOHAVMKYBO-OAQYLSRUSA-N 0 0 441.959 4.052 50 0 IIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 ZINC000013695684 569156504 /nfs/dbraw/zinc/15/65/04/569156504.db2.gz IWPLDXFEMDQJKY-LJQANCHMSA-N 0 0 435.307 4.079 50 0 IIAARN COc1ccc(NC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2C)c(OC)c1 ZINC000013710831 569156824 /nfs/dbraw/zinc/15/68/24/569156824.db2.gz UAQFVWYCJOMKGP-UHFFFAOYSA-N 0 0 433.468 4.375 50 0 IIAARN NS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000014208308 569158069 /nfs/dbraw/zinc/15/80/69/569158069.db2.gz PYJKCYRSIUPDRS-UHFFFAOYSA-N 0 0 447.516 4.227 50 0 IIAARN C[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)n1c(=O)oc2ccccc21 ZINC000014308459 569158511 /nfs/dbraw/zinc/15/85/11/569158511.db2.gz MPVWZSJPFGOZHT-SFHVURJKSA-N 0 0 438.487 4.325 50 0 IIAARN O=C(Oc1ccc(F)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000014466941 569159061 /nfs/dbraw/zinc/15/90/61/569159061.db2.gz MHBZQZLIDXKJBT-UHFFFAOYSA-N 0 0 432.300 4.139 50 0 IIAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000014428031 569159130 /nfs/dbraw/zinc/15/91/30/569159130.db2.gz AKKGFYPEUUGFPT-IRXDYDNUSA-N 0 0 444.597 4.485 50 0 IIAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nc2-c2ccccc2)cc1 ZINC000014609502 569159480 /nfs/dbraw/zinc/15/94/80/569159480.db2.gz PBNWLPUAKBRTLA-UHFFFAOYSA-N 0 0 441.510 4.344 50 0 IIAARN CC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1cccc(C)c1 ZINC000089669322 569161132 /nfs/dbraw/zinc/16/11/32/569161132.db2.gz ZEYNGFYURDFSLP-DEOSSOPVSA-N 0 0 433.533 4.493 50 0 IIAARN CCOc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000016839985 569163118 /nfs/dbraw/zinc/16/31/18/569163118.db2.gz XXTYXTBRSKHYOW-UHFFFAOYSA-N 0 0 444.491 4.220 50 0 IIAARN COc1ccc(-c2cc(=O)[nH]c(SCC(=O)Nc3oncc3-c3ccc(C)cc3)n2)cc1 ZINC000016840999 569163232 /nfs/dbraw/zinc/16/32/32/569163232.db2.gz AXMNLCNOBWYGRZ-UHFFFAOYSA-N 0 0 448.504 4.140 50 0 IIAARN O=C1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]2N1C1CC1 ZINC000089794111 569164133 /nfs/dbraw/zinc/16/41/33/569164133.db2.gz FAZWXZXFKPXWFS-APWZRJJASA-N 0 0 445.592 4.222 50 0 IIAARN Cc1cccc(N2CCN(C(=O)CCc3csc(NC(=O)Nc4ccccc4)n3)CC2)c1 ZINC000016849070 569164571 /nfs/dbraw/zinc/16/45/71/569164571.db2.gz RZSSLANQFSRRNZ-UHFFFAOYSA-N 0 0 449.580 4.377 50 0 IIAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(Cl)cc1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850686 569164843 /nfs/dbraw/zinc/16/48/43/569164843.db2.gz RBXMCRGMKWGOEI-HNNXBMFYSA-N 0 0 447.944 4.021 50 0 IIAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000089858189 569165867 /nfs/dbraw/zinc/16/58/67/569165867.db2.gz JPJLZZSFOAINIP-NTKDMRAZSA-N 0 0 432.549 4.174 50 0 IIAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000089851148 569166237 /nfs/dbraw/zinc/16/62/37/569166237.db2.gz JPKUUPKJBGNOQU-SFHVURJKSA-N 0 0 444.466 4.251 50 0 IIAARN O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000008911544 569166257 /nfs/dbraw/zinc/16/62/57/569166257.db2.gz WPTFDFLPPCRRSB-UHFFFAOYSA-N 0 0 427.957 4.361 50 0 IIAARN C[C@@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1nc2ccccc2[nH]1 ZINC000089904482 569167063 /nfs/dbraw/zinc/16/70/63/569167063.db2.gz TVAMCAGTAYJOPB-HWPZZCPQSA-N 0 0 434.443 4.262 50 0 IIAARN COc1ccc(-c2nc3scc(CCNC(=O)c4cccc(C(F)(F)F)c4)n3n2)cc1 ZINC000016954879 569167561 /nfs/dbraw/zinc/16/75/61/569167561.db2.gz HKVGCMKBIGNPLX-UHFFFAOYSA-N 0 0 446.454 4.458 50 0 IIAARN CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)cc21 ZINC000089919733 569167713 /nfs/dbraw/zinc/16/77/13/569167713.db2.gz ZEWBZDDWDBETSQ-UHFFFAOYSA-N 0 0 433.487 4.293 50 0 IIAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)cc3Br)C2)cc1 ZINC000089930396 569167870 /nfs/dbraw/zinc/16/78/70/569167870.db2.gz KZMNTOJGANVIAR-SFHVURJKSA-N 0 0 433.302 4.173 50 0 IIAARN C[C@@H]1CN([C@@H](CNC(=O)c2cccnc2Nc2cccc(F)c2)c2cccs2)CCO1 ZINC000089941156 569168275 /nfs/dbraw/zinc/16/82/75/569168275.db2.gz SVWXENNGFULWIS-UZLBHIALSA-N 0 0 440.544 4.218 50 0 IIAARN Cc1nn(C(C)(C)C)c(OC(=O)Cc2ccc(F)cc2)c1S(=O)(=O)c1ccccc1 ZINC000016976633 569168912 /nfs/dbraw/zinc/16/89/12/569168912.db2.gz XIHJDMXWXBYCEU-UHFFFAOYSA-N 0 0 430.501 4.067 50 0 IIAARN CCCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000089960191 569168941 /nfs/dbraw/zinc/16/89/41/569168941.db2.gz JQLAAFLVHKMWQA-UHFFFAOYSA-N 0 0 427.298 4.347 50 0 IIAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000017013740 569170782 /nfs/dbraw/zinc/17/07/82/569170782.db2.gz PQEMUFGXMAJQBL-UHFFFAOYSA-N 0 0 427.505 4.069 50 0 IIAARN NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000017130846 569174417 /nfs/dbraw/zinc/17/44/17/569174417.db2.gz JIYCILSHDFLXSY-KQWNVCNZSA-N 0 0 427.176 4.425 50 0 IIAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)ccc2s1 ZINC000017144142 569174600 /nfs/dbraw/zinc/17/46/00/569174600.db2.gz WPFPBZKONZDLCS-AWEZNQCLSA-N 0 0 429.567 4.420 50 0 IIAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cccc(Br)c1 ZINC000017149834 569174820 /nfs/dbraw/zinc/17/48/20/569174820.db2.gz GBSHAMAMESQDGW-UHFFFAOYSA-N 0 0 433.356 4.254 50 0 IIAARN O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000017149678 569174886 /nfs/dbraw/zinc/17/48/86/569174886.db2.gz WWXCCJKQVAABLD-UHFFFAOYSA-N 0 0 441.713 4.041 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1ccc(Cl)cc1 ZINC000017189922 569175635 /nfs/dbraw/zinc/17/56/35/569175635.db2.gz XLSVKGQEJADKNT-UHFFFAOYSA-N 0 0 443.981 4.324 50 0 IIAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)N1CCCc2ccccc21 ZINC000017189803 569175649 /nfs/dbraw/zinc/17/56/49/569175649.db2.gz HTXVNDBUFKAIOQ-UHFFFAOYSA-N 0 0 449.601 4.011 50 0 IIAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NC1CCCCC1 ZINC000017200926 569176036 /nfs/dbraw/zinc/17/60/36/569176036.db2.gz SWNYAVKBDZECES-UHFFFAOYSA-N 0 0 428.529 4.203 50 0 IIAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000001061884 569176586 /nfs/dbraw/zinc/17/65/86/569176586.db2.gz DJXYFNIGOZMSEG-CYBMUJFWSA-N 0 0 443.352 4.041 50 0 IIAARN C[C@@H](C(=O)Nc1ccc(I)cc1)N1c2cccc3cccc(c23)C1=O ZINC000002875263 569177538 /nfs/dbraw/zinc/17/75/38/569177538.db2.gz XBFLIUKURONVKY-LBPRGKRZSA-N 0 0 442.256 4.432 50 0 IIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000095416172 569177886 /nfs/dbraw/zinc/17/78/86/569177886.db2.gz FMRPOMPUXFWJPT-UHFFFAOYSA-N 0 0 438.495 4.035 50 0 IIAARN COc1ccc(CCNC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002093156 569178906 /nfs/dbraw/zinc/17/89/06/569178906.db2.gz WXSXQIBMMHKWOI-UHFFFAOYSA-N 0 0 429.472 4.206 50 0 biogenic IIAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002094251 569179055 /nfs/dbraw/zinc/17/90/55/569179055.db2.gz WRWYNDZUHWTZCB-HNNXBMFYSA-N 0 0 435.542 4.270 50 0 biogenic IIAARN COCCCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002094516 569179144 /nfs/dbraw/zinc/17/91/44/569179144.db2.gz HXIYOIIUPKFHCW-JYFHCDHNSA-N 0 0 445.563 4.013 50 0 biogenic IIAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NC[C@@H]1CCCO1)nc2-c1cccc(Cl)c1 ZINC000037359640 569181473 /nfs/dbraw/zinc/18/14/73/569181473.db2.gz BNSSRAQVCUWBFX-KRWDZBQOSA-N 0 0 438.894 4.448 50 0 IIAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1ccccn1)nc2-c1cccc(F)c1 ZINC000037361168 569181580 /nfs/dbraw/zinc/18/15/80/569181580.db2.gz MXPDNWNZGAJJEA-UHFFFAOYSA-N 0 0 443.461 4.393 50 0 IIAARN CCCCOC(=O)c1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002109932 569181799 /nfs/dbraw/zinc/18/17/99/569181799.db2.gz RWRZKUZAAPOYQO-UHFFFAOYSA-N 0 0 449.507 4.184 50 0 biogenic IIAARN O=C1CN(Cc2ccco2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N12 ZINC000002112407 569182075 /nfs/dbraw/zinc/18/20/75/569182075.db2.gz WSHCYRJRTGRFBH-URXFXBBRSA-N 0 0 445.906 4.299 50 0 biogenic IIAARN COc1ccc(OC)c(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)c1 ZINC000002123778 569183657 /nfs/dbraw/zinc/18/36/57/569183657.db2.gz LXPZYCOJCIHBGX-MRXNPFEDSA-N 0 0 431.492 4.309 50 0 biogenic IIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000252444277 569183817 /nfs/dbraw/zinc/18/38/17/569183817.db2.gz NRUIWVCGIQIHSB-JTSKRJEESA-N 0 0 448.544 4.080 50 0 IIAARN COc1cc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc(OC)c1OC ZINC000002131774 569185033 /nfs/dbraw/zinc/18/50/33/569185033.db2.gz GZLJPWOQPQSMJH-JWGURIENSA-N 0 0 445.427 4.454 50 0 biogenic IIAARN COc1ccccc1C(=O)Nc1ccc(OC[C@@H](O)COCc2ccccc2F)cc1 ZINC000027212848 569186152 /nfs/dbraw/zinc/18/61/52/569186152.db2.gz HKIKLSXRRRUDEV-IBGZPJMESA-N 0 0 425.456 4.043 50 0 IIAARN CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252483342 569186552 /nfs/dbraw/zinc/18/65/52/569186552.db2.gz DZGSAFCDWORODF-OAQYLSRUSA-N 0 0 437.521 4.477 50 0 IIAARN Cc1c(OC(=O)[C@H](C)NC(=O)OCc2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002147476 569186914 /nfs/dbraw/zinc/18/69/14/569186914.db2.gz JRKZPZZTNUEWIV-INIZCTEOSA-N 0 0 435.476 4.201 50 0 biogenic IIAARN O=C1CN(CCc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002147260 569186985 /nfs/dbraw/zinc/18/69/85/569186985.db2.gz KYHBISXJTPXEIN-IGKIAQTJSA-N 0 0 435.527 4.096 50 0 biogenic IIAARN Cc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252497294 569187990 /nfs/dbraw/zinc/18/79/90/569187990.db2.gz QDAOSXCEVGGPQY-HXUWFJFHSA-N 0 0 439.562 4.420 50 0 IIAARN COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cs2)cc1OC ZINC000011758720 569188517 /nfs/dbraw/zinc/18/85/17/569188517.db2.gz BDFPYXPGRWZLRZ-UHFFFAOYSA-N 0 0 438.958 4.002 50 0 IIAARN CSCC[C@H](NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000252523284 569189587 /nfs/dbraw/zinc/18/95/87/569189587.db2.gz CGPPVHQYHADQBL-LEWJYISDSA-N 0 0 436.581 4.154 50 0 IIAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)N[C@@H]4CCOc5ccccc54)nc(N)c32)C1 ZINC000027314915 569190288 /nfs/dbraw/zinc/19/02/88/569190288.db2.gz DOIGQTMHSXKXPL-IUODEOHRSA-N 0 0 440.594 4.130 50 0 IIAARN CCCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002198571 569191530 /nfs/dbraw/zinc/19/15/30/569191530.db2.gz AIHAKRDHWQKMSG-UHFFFAOYSA-N 0 0 445.523 4.254 50 0 IIAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000037399036 569194166 /nfs/dbraw/zinc/19/41/66/569194166.db2.gz SQQWWYUGALQUMQ-UHFFFAOYSA-N 0 0 432.543 4.487 50 0 IIAARN C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000170669211 569194714 /nfs/dbraw/zinc/19/47/14/569194714.db2.gz RDESVXJBKUBHDW-QGZVFWFLSA-N 0 0 433.537 4.293 50 0 IIAARN CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1 ZINC000037400262 569194947 /nfs/dbraw/zinc/19/49/47/569194947.db2.gz CHSNPPBAESCUAC-UHFFFAOYSA-N 0 0 431.485 4.378 50 0 IIAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1ccco1 ZINC000037401037 569194991 /nfs/dbraw/zinc/19/49/91/569194991.db2.gz XDQBXWATCLYYEA-KRWDZBQOSA-N 0 0 443.521 4.497 50 0 IIAARN CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)cc1 ZINC000037401079 569195115 /nfs/dbraw/zinc/19/51/15/569195115.db2.gz BTGJIZWJSYZAFP-UHFFFAOYSA-N 0 0 436.549 4.453 50 0 IIAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000037407921 569195249 /nfs/dbraw/zinc/19/52/49/569195249.db2.gz JNMJINUQILPZAY-BLFHIAQRSA-N 0 0 442.563 4.257 50 0 IIAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000037427686 569195917 /nfs/dbraw/zinc/19/59/17/569195917.db2.gz HJDZNCSJRZOJJI-LCUIJRPUSA-N 0 0 437.565 4.103 50 0 IIAARN Cc1cs/c(=N\C(=O)c2ccco2)n1Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)o1 ZINC000037437730 569196265 /nfs/dbraw/zinc/19/62/65/569196265.db2.gz PDTBHLZDYZLHMF-LDWQWDCMSA-N 0 0 435.505 4.324 50 0 IIAARN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1)c1ccccc1 ZINC000037524009 569198369 /nfs/dbraw/zinc/19/83/69/569198369.db2.gz XGTZVRQSLXETNR-QHCPKHFHSA-N 0 0 445.563 4.488 50 0 IIAARN O=C(NCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524177 569198376 /nfs/dbraw/zinc/19/83/76/569198376.db2.gz MXEZBGMBXZAJGF-UHFFFAOYSA-N 0 0 449.501 4.294 50 0 IIAARN O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037524403 569198504 /nfs/dbraw/zinc/19/85/04/569198504.db2.gz UFLLYZWMYUSQHQ-UHFFFAOYSA-N 0 0 441.575 4.334 50 0 IIAARN CCOC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2cccc(OC)c2)CC1 ZINC000037525004 569198973 /nfs/dbraw/zinc/19/89/73/569198973.db2.gz SBYYSRYXQCWBGY-UHFFFAOYSA-N 0 0 426.538 4.175 50 0 IIAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2Cc2ccccc2OC)C1 ZINC000037526893 569199231 /nfs/dbraw/zinc/19/92/31/569199231.db2.gz YBVBKFHBWLOUTO-KRWDZBQOSA-N 0 0 426.538 4.175 50 0 IIAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000195530265 569204161 /nfs/dbraw/zinc/20/41/61/569204161.db2.gz BCJYXVAEPYBCFJ-JENIJYKNSA-N 0 0 449.576 4.034 50 0 IIAARN COc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089797 569205784 /nfs/dbraw/zinc/20/57/84/569205784.db2.gz YHYSMHMKUQASFG-AWEZNQCLSA-N 0 0 444.896 4.038 50 0 IIAARN CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1 ZINC000252676399 569210398 /nfs/dbraw/zinc/21/03/98/569210398.db2.gz WYYUTOKTDUFUMP-UHFFFAOYSA-N 0 0 428.513 4.435 50 0 IIAARN COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(C)cc1 ZINC000252676271 569210444 /nfs/dbraw/zinc/21/04/44/569210444.db2.gz WOZYDDOCRRZBQK-UHFFFAOYSA-N 0 0 428.513 4.353 50 0 IIAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OC(C)=O ZINC000001137720 569212365 /nfs/dbraw/zinc/21/23/65/569212365.db2.gz NUEYOUGCKNHXGH-YBEGLDIGSA-N 0 0 430.254 4.118 50 0 IIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CS(=O)(=O)C3)c(C)c1 ZINC000003009663 569213166 /nfs/dbraw/zinc/21/31/66/569213166.db2.gz FWBKAAQMRNOOFD-UHFFFAOYSA-N 0 0 449.454 4.189 50 0 IIAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000003154897 569213284 /nfs/dbraw/zinc/21/32/84/569213284.db2.gz 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434.945 4.239 50 0 IIAARN O=C(Nc1ccc(CCC(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000079055238 569323634 /nfs/dbraw/zinc/32/36/34/569323634.db2.gz ZBCCSOWOQGXVBG-QGZVFWFLSA-N 0 0 434.414 4.154 50 0 IIAARN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000079056335 569323677 /nfs/dbraw/zinc/32/36/77/569323677.db2.gz ACYLIDPODNCMBJ-QXAKKESOSA-N 0 0 431.363 4.304 50 0 IIAARN CC[C@](C)(CNC(=O)c1ccc(-c2cnco2)cc1)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000079056135 569323683 /nfs/dbraw/zinc/32/36/83/569323683.db2.gz MUHSFBKETJHJHM-RUZDIDTESA-N 0 0 444.491 4.325 50 0 IIAARN COCCOCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000079093962 569325258 /nfs/dbraw/zinc/32/52/58/569325258.db2.gz DXQGCJSXQQADSP-NHCUHLMSSA-N 0 0 432.358 4.244 50 0 IIAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)o2)cc1C ZINC000079102218 569325516 /nfs/dbraw/zinc/32/55/16/569325516.db2.gz XRYDVMHYVFTTSX-SFHVURJKSA-N 0 0 429.524 4.354 50 0 IIAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NC12CC3CC(CC(C3)C1)C2 ZINC000019869108 569331312 /nfs/dbraw/zinc/33/13/12/569331312.db2.gz XYURYJNSVIMGSX-UHFFFAOYSA-N 0 0 440.540 4.086 50 0 IIAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(Cl)c1C)C(F)(F)F ZINC000020032585 569332506 /nfs/dbraw/zinc/33/25/06/569332506.db2.gz BPFRKNSPNSFWHY-LJQANCHMSA-N 0 0 444.837 4.321 50 0 IIAARN O=C(CCc1nc(-c2ccccc2F)no1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020155673 569353676 /nfs/dbraw/zinc/35/36/76/569353676.db2.gz ZDKCMHWZJVNPHE-UHFFFAOYSA-N 0 0 448.420 4.176 50 0 IIAARN C[C@@H](C(=O)Nc1ccccc1-c1cn2c(n1)SCC2)n1nc(-c2cccs2)ccc1=O ZINC000390825842 569353753 /nfs/dbraw/zinc/35/37/53/569353753.db2.gz HWDXPMVQTPFLLO-AWEZNQCLSA-N 0 0 449.561 4.141 50 0 IIAARN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc2noc(-c3ccccc3)c2c1 ZINC000390830857 569354237 /nfs/dbraw/zinc/35/42/37/569354237.db2.gz NWYOUHTUWCHGNZ-OAHLLOKOSA-N 0 0 441.413 4.141 50 0 IIAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000094993106 569355808 /nfs/dbraw/zinc/35/58/08/569355808.db2.gz HAMDGLWCGKRKIN-WZONZLPQSA-N 0 0 434.536 4.365 50 0 IIAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)NC3CCCCCCC3)C(C)C)cc2s1 ZINC000020326071 569360361 /nfs/dbraw/zinc/36/03/61/569360361.db2.gz PWYUPEJSCTYWGL-FQEVSTJZSA-N 0 0 437.631 4.137 50 0 IIAARN Cc1sc2ncn(NC(=O)CCc3ccc(F)c(F)c3)c(=O)c2c1-c1ccccc1 ZINC000095349127 569361675 /nfs/dbraw/zinc/36/16/75/569361675.db2.gz FEIFRCZLTGHLMI-UHFFFAOYSA-N 0 0 425.460 4.415 50 0 IIAARN O=C1C[C@@H](Sc2nnc(NCc3ccccc3)s2)C(=O)N1c1cccc(Cl)c1 ZINC000095351726 569361993 /nfs/dbraw/zinc/36/19/93/569361993.db2.gz DJXBHYZXPUTNBB-OAHLLOKOSA-N 0 0 430.942 4.228 50 0 IIAARN Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3C(=O)NCCc3ccccc3)C2=O)c(C)c1 ZINC000095351722 569362057 /nfs/dbraw/zinc/36/20/57/569362057.db2.gz PBJLCERUEFJTQN-QHCPKHFHSA-N 0 0 441.531 4.020 50 0 IIAARN Cc1c2cnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417486 569364920 /nfs/dbraw/zinc/36/49/20/569364920.db2.gz HWKULYUFYPDOJT-UHFFFAOYSA-N 0 0 432.499 4.258 50 0 IIAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)Nc2ccc(C)cc2)c1C ZINC000020437199 569365613 /nfs/dbraw/zinc/36/56/13/569365613.db2.gz YYGBBLGHOQQHAI-UHFFFAOYSA-N 0 0 444.535 4.380 50 0 IIAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccnc3-c3ccccc3)CC2)c1 ZINC000095438328 569366543 /nfs/dbraw/zinc/36/65/43/569366543.db2.gz HHRYAAVOSMBDTE-UHFFFAOYSA-N 0 0 445.519 4.257 50 0 IIAARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3nc4cccnc4s3)n2N)c1 ZINC000095446971 569367494 /nfs/dbraw/zinc/36/74/94/569367494.db2.gz ZCTWETCCWIERCW-UHFFFAOYSA-N 0 0 426.571 4.300 50 0 IIAARN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1c[nH]c2cccc(Br)c21 ZINC000095449187 569367624 /nfs/dbraw/zinc/36/76/24/569367624.db2.gz GRGLXOZZRAOHKK-OAHLLOKOSA-N 0 0 443.219 4.292 50 0 IIAARN COC(=O)Nc1ccc(NC(=O)NC(C)(C)COc2ncccc2Br)cc1 ZINC000095456140 569368882 /nfs/dbraw/zinc/36/88/82/569368882.db2.gz JAOQIMHOIRFPOY-UHFFFAOYSA-N 0 0 437.294 4.002 50 0 IIAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1Cl ZINC000095464592 569370506 /nfs/dbraw/zinc/37/05/06/569370506.db2.gz VPEDAQAHXFKBSM-INIZCTEOSA-N 0 0 425.916 4.470 50 0 IIAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCCc1nnc2ccccn21 ZINC000095480393 569373921 /nfs/dbraw/zinc/37/39/21/569373921.db2.gz NHPKMJMHAAGCDD-KRWDZBQOSA-N 0 0 447.366 4.297 50 0 IIAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1ccc(Cl)cc1F ZINC000095481949 569374175 /nfs/dbraw/zinc/37/41/75/569374175.db2.gz IOZTWQSZBUQNTQ-UHFFFAOYSA-N 0 0 449.851 4.369 50 0 IIAARN O=C(CN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl ZINC000095945353 569375816 /nfs/dbraw/zinc/37/58/16/569375816.db2.gz LEQQEVAZDDYMEH-MRXNPFEDSA-N 0 0 444.244 4.448 50 0 IIAARN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095948239 569376422 /nfs/dbraw/zinc/37/64/22/569376422.db2.gz PVVGZMSUVVUPQR-UHFFFAOYSA-N 0 0 439.507 4.007 50 0 IIAARN O=C(c1cc2ccccc2[nH]1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948970 569376560 /nfs/dbraw/zinc/37/65/60/569376560.db2.gz UNOMOQDZZOMFRQ-UHFFFAOYSA-N 0 0 439.441 4.482 50 0 IIAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(Cl)ccc1Cl ZINC000095950323 569376695 /nfs/dbraw/zinc/37/66/95/569376695.db2.gz DPMPWILPCDBJGY-UHFFFAOYSA-N 0 0 433.261 4.168 50 0 IIAARN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 ZINC000095995113 569378599 /nfs/dbraw/zinc/37/85/99/569378599.db2.gz KMHFWWUGUMQCSY-MRXNPFEDSA-N 0 0 446.429 4.332 50 0 IIAARN CCN(CC(=O)NC(C)(C)C)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096032389 569380889 /nfs/dbraw/zinc/38/08/89/569380889.db2.gz KCJGFHMUEYLCDM-MSUUIHNZSA-N 0 0 444.579 4.375 50 0 IIAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c(C)c1 ZINC000096097196 569381473 /nfs/dbraw/zinc/38/14/73/569381473.db2.gz PSMGCDAGAOSVNM-UHFFFAOYSA-N 0 0 448.591 4.176 50 0 IIAARN O=C(N1CCN(c2nc(-c3ccsc3)cs2)CC1)C1(c2ccccc2)CCOCC1 ZINC000096099880 569381738 /nfs/dbraw/zinc/38/17/38/569381738.db2.gz KRFNITIRLUKWDW-UHFFFAOYSA-N 0 0 439.606 4.269 50 0 IIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096114553 569382864 /nfs/dbraw/zinc/38/28/64/569382864.db2.gz VTMIMYUXFMQXEU-NRSPTQNISA-N 0 0 435.955 4.123 50 0 biogenic IIAARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1OC ZINC000096116237 569383662 /nfs/dbraw/zinc/38/36/62/569383662.db2.gz CAIIRGHSRSJRAG-XUZZJYLKSA-N 0 0 443.455 4.342 50 0 biogenic IIAARN O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(Br)o1 ZINC000096119639 569384680 /nfs/dbraw/zinc/38/46/80/569384680.db2.gz KJAMIJYAAIMYLP-UHFFFAOYSA-N 0 0 425.242 4.330 50 0 IIAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cnn(-c2ccccc2)n1 ZINC000096119721 569384770 /nfs/dbraw/zinc/38/47/70/569384770.db2.gz PXJYQCAJAJKXGD-UHFFFAOYSA-N 0 0 428.477 4.222 50 0 IIAARN O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000096121464 569385089 /nfs/dbraw/zinc/38/50/89/569385089.db2.gz MBEAITOVPBDKQV-UHFFFAOYSA-N 0 0 430.430 4.153 50 0 IIAARN COCCn1c(C[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3C)C2)nc2cccnc21 ZINC000096125056 569385643 /nfs/dbraw/zinc/38/56/43/569385643.db2.gz AETCRCDXOXGRFZ-INIZCTEOSA-N 0 0 427.936 4.136 50 0 IIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000096232353 569387718 /nfs/dbraw/zinc/38/77/18/569387718.db2.gz XJROERXQFQXDLB-JOCHJYFZSA-N 0 0 444.535 4.204 50 0 IIAARN Cc1ncc(CN2CCOCC2)c2cc(C(=O)c3cccc(NC(=O)C4CCCC4)c3)oc21 ZINC000096232016 569387731 /nfs/dbraw/zinc/38/77/31/569387731.db2.gz FOMLNMKBSCJUPC-UHFFFAOYSA-N 0 0 447.535 4.328 50 0 IIAARN COc1cc(-c2noc(CCN(CC(C)C)C(=O)c3cccs3)n2)cc(OC)c1OC ZINC000096276015 569388418 /nfs/dbraw/zinc/38/84/18/569388418.db2.gz NGIHDHOOZWITCX-UHFFFAOYSA-N 0 0 445.541 4.165 50 0 IIAARN CCCCNC(=O)N1C[C@@H](C(=O)NCCc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000096280539 569389679 /nfs/dbraw/zinc/38/96/79/569389679.db2.gz LVXCNKXVYNVAJN-UPVQGACJSA-N 0 0 437.584 4.317 50 0 IIAARN O=C(Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)nc1)c1ccc(F)cc1F ZINC000096280562 569389681 /nfs/dbraw/zinc/38/96/81/569389681.db2.gz DCMJTMSDXAHQNH-UHFFFAOYSA-N 0 0 426.442 4.073 50 0 IIAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)C(C)C)c2)cc1F ZINC000096289268 569390649 /nfs/dbraw/zinc/39/06/49/569390649.db2.gz YYHJVXZTGCKFJW-UHFFFAOYSA-N 0 0 437.533 4.243 50 0 IIAARN CC[C@H](C)NC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(F)cc2)cc1 ZINC000096289655 569390796 /nfs/dbraw/zinc/39/07/96/569390796.db2.gz FIWNWBURVSPITA-HNNXBMFYSA-N 0 0 428.533 4.373 50 0 IIAARN CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000096299973 569392037 /nfs/dbraw/zinc/39/20/37/569392037.db2.gz NTZHWIHCJKMBCU-SFHVURJKSA-N 0 0 431.983 4.427 50 0 IIAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(Cl)c1 ZINC000096317426 569393280 /nfs/dbraw/zinc/39/32/80/569393280.db2.gz WKCWEXVMYBHNGW-UHFFFAOYSA-N 0 0 442.991 4.049 50 0 IIAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1 ZINC000096322240 569394483 /nfs/dbraw/zinc/39/44/83/569394483.db2.gz WBJLCAXMVOUPKA-UHFFFAOYSA-N 0 0 447.882 4.313 50 0 IIAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)cc1OC ZINC000096322690 569394822 /nfs/dbraw/zinc/39/48/22/569394822.db2.gz KAOYDYMTSWQQQM-UHFFFAOYSA-N 0 0 444.440 4.127 50 0 IIAARN COc1cc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc(OC)c1 ZINC000096323117 569395094 /nfs/dbraw/zinc/39/50/94/569395094.db2.gz YCXFMQWVEOWYOL-UHFFFAOYSA-N 0 0 432.524 4.324 50 0 IIAARN Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)s2)on1 ZINC000096323465 569395350 /nfs/dbraw/zinc/39/53/50/569395350.db2.gz PUDYQHSQNXOFGH-UHFFFAOYSA-N 0 0 437.974 4.184 50 0 IIAARN COc1ccc(-n2cc(-c3nc(-c4ccccn4)no3)c3ccccc3c2=O)cc1OC ZINC000096324304 569395811 /nfs/dbraw/zinc/39/58/11/569395811.db2.gz BGUFRWNAZZSQKS-UHFFFAOYSA-N 0 0 426.432 4.120 50 0 IIAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(F)c(C)c1)C3 ZINC000096326917 569396292 /nfs/dbraw/zinc/39/62/92/569396292.db2.gz YTLWIONGXFMGJR-UHFFFAOYSA-N 0 0 429.879 4.047 50 0 IIAARN O=C(Nc1ccc(F)cc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 ZINC000096335950 569396653 /nfs/dbraw/zinc/39/66/53/569396653.db2.gz CWFYATOJJFODAS-NFBKMPQASA-N 0 0 445.402 4.192 50 0 IIAARN O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(C(F)(F)F)nc1 ZINC000096356951 569397343 /nfs/dbraw/zinc/39/73/43/569397343.db2.gz ZGJPNWZTEBJPCH-UHFFFAOYSA-N 0 0 425.370 4.389 50 0 IIAARN COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1 ZINC000096396914 569399217 /nfs/dbraw/zinc/39/92/17/569399217.db2.gz QKUPYEHSGPTKLG-UHFFFAOYSA-N 0 0 445.947 4.291 50 0 IIAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2cccc(C)c2C)cc(OC)c1OC ZINC000096398950 569399819 /nfs/dbraw/zinc/39/98/19/569399819.db2.gz XBOFEVYUWAFXHW-UHFFFAOYSA-N 0 0 425.485 4.045 50 0 IIAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccccc2)=N3)cc1OC ZINC000096399313 569399907 /nfs/dbraw/zinc/39/99/07/569399907.db2.gz GFQJTSXHDQRNJW-UHFFFAOYSA-N 0 0 438.553 4.292 50 0 IIAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 ZINC000096399557 569400165 /nfs/dbraw/zinc/40/01/65/569400165.db2.gz AOVAPFYKZICCLS-UHFFFAOYSA-N 0 0 435.596 4.406 50 0 IIAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000002459750 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IIAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000028049144 569406694 /nfs/dbraw/zinc/40/66/94/569406694.db2.gz FDDJDNBUPAVJQM-UHFFFAOYSA-N 0 0 439.562 4.137 50 0 IIAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC000002619413 569410751 /nfs/dbraw/zinc/41/07/51/569410751.db2.gz QYSAWUPKGISMOO-UHFFFAOYSA-N 0 0 437.521 4.031 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CCc1ccc(F)cc1 ZINC000002622302 569411146 /nfs/dbraw/zinc/41/11/46/569411146.db2.gz HCXPFTOUHCQQRS-SANMLTNESA-N 0 0 447.510 4.137 50 0 IIAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 ZINC000002623096 569411291 /nfs/dbraw/zinc/41/12/91/569411291.db2.gz LLHNQSPNDIBVLO-UHFFFAOYSA-N 0 0 447.568 4.185 50 0 IIAARN Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3C)cc(=O)n2c1 ZINC000002623372 569411361 /nfs/dbraw/zinc/41/13/61/569411361.db2.gz ZYKVLNBFJFUDAC-UHFFFAOYSA-N 0 0 440.532 4.246 50 0 IIAARN Cc1ccc(-n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nnc2-c2ccccc2F)cc1 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IIAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)no1 ZINC000067217123 569464915 /nfs/dbraw/zinc/46/49/15/569464915.db2.gz WOYRHIXULJTKMF-UHFFFAOYSA-N 0 0 426.523 4.091 50 0 IIAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1C ZINC000067218540 569465038 /nfs/dbraw/zinc/46/50/38/569465038.db2.gz KCSGONWIYVUAEK-UHFFFAOYSA-N 0 0 433.533 4.086 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236824 569465457 /nfs/dbraw/zinc/46/54/57/569465457.db2.gz GHPXMFDYLRMIMU-UHFFFAOYSA-N 0 0 438.940 4.084 50 0 IIAARN Cc1cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237403 569465543 /nfs/dbraw/zinc/46/55/43/569465543.db2.gz PWPYVVXTLPLVKL-UHFFFAOYSA-N 0 0 444.438 4.170 50 0 IIAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc(F)cc1Cl ZINC000067239187 569465663 /nfs/dbraw/zinc/46/56/63/569465663.db2.gz XHINUOGKHUCLRC-GFCCVEGCSA-N 0 0 436.940 4.205 50 0 IIAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 ZINC000067257617 569466087 /nfs/dbraw/zinc/46/60/87/569466087.db2.gz RUBZQMQEKUXXTO-UHFFFAOYSA-N 0 0 425.510 4.209 50 0 IIAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000067258578 569466167 /nfs/dbraw/zinc/46/61/67/569466167.db2.gz IMSBKWGBJMPHGF-UHFFFAOYSA-N 0 0 427.957 4.355 50 0 IIAARN CCCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 ZINC000067261758 569466623 /nfs/dbraw/zinc/46/66/23/569466623.db2.gz DWXUCOLPNUHTTO-UHFFFAOYSA-N 0 0 443.507 4.057 50 0 IIAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000067294130 569467849 /nfs/dbraw/zinc/46/78/49/569467849.db2.gz LRUURYNASOWOSL-BTAOAOQOSA-N 0 0 442.899 4.245 50 0 IIAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)NC[C@H]1CCCO1 ZINC000067294145 569467851 /nfs/dbraw/zinc/46/78/51/569467851.db2.gz DQRJBISTBSLZQP-UYNDQYDWSA-N 0 0 442.899 4.245 50 0 IIAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729534 569468345 /nfs/dbraw/zinc/46/83/45/569468345.db2.gz WQXKXFWEEKFIJS-UXHICEINSA-N 0 0 435.524 4.037 50 0 IIAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)cc1Cl ZINC000067318791 569468522 /nfs/dbraw/zinc/46/85/22/569468522.db2.gz SDDUNVJZAKXQTG-UHFFFAOYSA-N 0 0 441.890 4.059 50 0 IIAARN Cc1cc2nc(SCC(=O)NCc3ccc(C)c(C)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319568 569468583 /nfs/dbraw/zinc/46/85/83/569468583.db2.gz NCJZYOHJCVTHPY-UHFFFAOYSA-N 0 0 446.576 4.356 50 0 IIAARN CSc1nc2cc(C)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)c2c(=O)n1CC(C)C ZINC000067320157 569468624 /nfs/dbraw/zinc/46/86/24/569468624.db2.gz IUGMJLOBTZFXLH-KRWDZBQOSA-N 0 0 426.586 4.070 50 0 IIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323430 569468767 /nfs/dbraw/zinc/46/87/67/569468767.db2.gz NMINBYJKJUHNCK-UHFFFAOYSA-N 0 0 431.418 4.113 50 0 IIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1CC(=O)Nc1ccc(C)cc1Cl ZINC000067323323 569468777 /nfs/dbraw/zinc/46/87/77/569468777.db2.gz CDEUQKPFSOFLDY-UHFFFAOYSA-N 0 0 432.311 4.401 50 0 IIAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1[C@H](C)CC ZINC000067335090 569468825 /nfs/dbraw/zinc/46/88/25/569468825.db2.gz VWXBLOUSVCZRIP-CYBMUJFWSA-N 0 0 445.566 4.337 50 0 IIAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)c1 ZINC000067335244 569468830 /nfs/dbraw/zinc/46/88/30/569468830.db2.gz ZCXASONSEXFSNT-UHFFFAOYSA-N 0 0 425.535 4.447 50 0 IIAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N(CC)CC)c3ccccc3C(=O)N1CC2 ZINC000008661611 569469857 /nfs/dbraw/zinc/46/98/57/569469857.db2.gz NKBVMTIIEOGNFN-BJKOFHAPSA-N 0 0 436.552 4.189 50 0 IIAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000008704689 569470265 /nfs/dbraw/zinc/47/02/65/569470265.db2.gz CQVYDEOKDPTRHM-QFIPXVFZSA-N 0 0 441.409 4.264 50 0 IIAARN COc1ccc2cc([C@H](C)C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)ccc2c1 ZINC000008705162 569470353 /nfs/dbraw/zinc/47/03/53/569470353.db2.gz RSJILHLKHBDZPT-IBGZPJMESA-N 0 0 445.563 4.171 50 0 IIAARN COc1cc(C(=O)NC2CCC(O)CC2)cc(Br)c1OCc1ccccc1 ZINC000008719338 569471395 /nfs/dbraw/zinc/47/13/95/569471395.db2.gz QJCFUWSTDIMWET-UHFFFAOYSA-N 0 0 434.330 4.070 50 0 IIAARN CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000008720152 569471480 /nfs/dbraw/zinc/47/14/80/569471480.db2.gz XODZHKJFZUNAMA-AOMKIAJQSA-N 0 0 443.569 4.019 50 0 IIAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008720438 569471599 /nfs/dbraw/zinc/47/15/99/569471599.db2.gz HLKYJSGEFDAECN-OAQYLSRUSA-N 0 0 444.560 4.468 50 0 IIAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000008725600 569472167 /nfs/dbraw/zinc/47/21/67/569472167.db2.gz FPYKNUWEGJVHQV-UHFFFAOYSA-N 0 0 448.957 4.304 50 0 IIAARN COc1ccc(Cc2nnc3n2NC(C2c4ccccc4N=C2C)=C(C)S3)cc1OC ZINC000008745064 569473039 /nfs/dbraw/zinc/47/30/39/569473039.db2.gz XDFSOAPYXFRFRD-NAJQJYEQSA-N 0 0 433.537 4.441 50 0 IIAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1-c1ccccc1 ZINC000008747321 569473081 /nfs/dbraw/zinc/47/30/81/569473081.db2.gz KFKBEENMBYCUSZ-UHFFFAOYSA-N 0 0 430.489 4.305 50 0 IIAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCCn2nc(C)cc2C)cc1 ZINC000008748590 569473236 /nfs/dbraw/zinc/47/32/36/569473236.db2.gz UDJDNKSNPHMNQD-UHFFFAOYSA-N 0 0 443.551 4.240 50 0 IIAARN C[C@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(N)=O ZINC000008749904 569473363 /nfs/dbraw/zinc/47/33/63/569473363.db2.gz RLCOZSRAOFZJQV-QNKACBJSSA-N 0 0 438.311 4.483 50 0 IIAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC ZINC000008751990 569473496 /nfs/dbraw/zinc/47/34/96/569473496.db2.gz ZCMWOAKJGUEXJQ-UHFFFAOYSA-N 0 0 435.476 4.341 50 0 biogenic IIAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755966 569474021 /nfs/dbraw/zinc/47/40/21/569474021.db2.gz MVHAYKPCDRMHGO-KRWDZBQOSA-N 0 0 434.565 4.241 50 0 IIAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc2oc(=O)ccc2c1)OC(C)(C)CC3 ZINC000008764269 569474568 /nfs/dbraw/zinc/47/45/68/569474568.db2.gz JITNXFYEISQBGD-UHFFFAOYSA-N 0 0 445.471 4.493 50 0 biogenic IIAARN Cc1ccccc1Nc1nc(N)nc(COc2ccccc2C(=O)Nc2ccccc2)n1 ZINC000008780199 569475575 /nfs/dbraw/zinc/47/55/75/569475575.db2.gz PONZNZVBHBEEED-UHFFFAOYSA-N 0 0 426.480 4.337 50 0 IIAARN CCCCN1CC(=O)N2C[C@H](c3ccccc3OC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789909 569475986 /nfs/dbraw/zinc/47/59/86/569475986.db2.gz YZWZGQFRLKJMDI-BCHFMIIMSA-N 0 0 431.536 4.008 50 0 biogenic IIAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1 ZINC000008791404 569476209 /nfs/dbraw/zinc/47/62/09/569476209.db2.gz YBBGZZLJJGFALG-UHFFFAOYSA-N 0 0 435.520 4.115 50 0 biogenic IIAARN Cc1c(C)c2c(OCC(=O)Nc3nc4ccccc4[nH]3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008791870 569476356 /nfs/dbraw/zinc/47/63/56/569476356.db2.gz BOCZVPFMZCIUGW-UHFFFAOYSA-N 0 0 447.491 4.407 50 0 biogenic IIAARN CCCNc1nc(SCCC)nc2c1cnn2CCNC(=O)c1cc2ccccc2o1 ZINC000008794357 569476368 /nfs/dbraw/zinc/47/63/68/569476368.db2.gz ZMBMYESTRASVEG-UHFFFAOYSA-N 0 0 438.557 4.327 50 0 IIAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008812998 569476568 /nfs/dbraw/zinc/47/65/68/569476568.db2.gz UDSHSMRYKGCYNO-KUHUBIRLSA-N 0 0 448.972 4.440 50 0 IIAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008813002 569476606 /nfs/dbraw/zinc/47/66/06/569476606.db2.gz UDSHSMRYKGCYNO-AUUYWEPGSA-N 0 0 448.972 4.440 50 0 IIAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000008825663 569477446 /nfs/dbraw/zinc/47/74/46/569477446.db2.gz MMNODAGRPQWOED-UHFFFAOYSA-N 0 0 443.931 4.156 50 0 IIAARN CC[C@H](C)NC(=O)c1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 ZINC000008836640 569478059 /nfs/dbraw/zinc/47/80/59/569478059.db2.gz GBGNBTPTOSJQRJ-LBPRGKRZSA-N 0 0 438.329 4.447 50 0 IIAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1Cl ZINC000008840973 569478412 /nfs/dbraw/zinc/47/84/12/569478412.db2.gz AXLBUUNDEWVQHH-UHFFFAOYSA-N 0 0 436.961 4.475 50 0 IIAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000008843615 569478512 /nfs/dbraw/zinc/47/85/12/569478512.db2.gz UMHFBVVYARTICJ-HXUWFJFHSA-N 0 0 429.904 4.322 50 0 IIAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843876 569478517 /nfs/dbraw/zinc/47/85/17/569478517.db2.gz OYMBJSLZGLBHJG-GOSISDBHSA-N 0 0 430.302 4.114 50 0 IIAARN CCCCOc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 ZINC000008845129 569478762 /nfs/dbraw/zinc/47/87/62/569478762.db2.gz PPQBFNHJWGKCJC-XMMPIXPASA-N 0 0 435.524 4.116 50 0 IIAARN COc1cc([C@@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845589 569478820 /nfs/dbraw/zinc/47/88/20/569478820.db2.gz RAQZJYKXHYMICM-XMMPIXPASA-N 0 0 445.475 4.452 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)c1 ZINC000008850920 569479331 /nfs/dbraw/zinc/47/93/31/569479331.db2.gz DMWAZIKBMSJVQV-UHFFFAOYSA-N 0 0 433.599 4.264 50 0 IIAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3C)cs2)c1 ZINC000008850989 569479368 /nfs/dbraw/zinc/47/93/68/569479368.db2.gz HESJESKQRXWADL-UHFFFAOYSA-N 0 0 427.551 4.372 50 0 IIAARN O=C(Nc1ccccc1)C1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000008860926 569479910 /nfs/dbraw/zinc/47/99/10/569479910.db2.gz DZPQZRGTTHGANR-UHFFFAOYSA-N 0 0 434.521 4.095 50 0 IIAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(cccc2F)s1 ZINC000008862245 569480137 /nfs/dbraw/zinc/48/01/37/569480137.db2.gz QZYCUGKGSDEEAD-UHFFFAOYSA-N 0 0 445.475 4.181 50 0 IIAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008862352 569480145 /nfs/dbraw/zinc/48/01/45/569480145.db2.gz DLNBHMCBBVXDGZ-UHFFFAOYSA-N 0 0 428.496 4.118 50 0 IIAARN CCCOc1ccc(N2C(=O)C[C@H](N(CC34CC5CC(CC(C5)C3)C4)C(C)=O)C2=O)cc1 ZINC000008867229 569480279 /nfs/dbraw/zinc/48/02/79/569480279.db2.gz OWUHBBKVPOEBFW-KROKWJMESA-N 0 0 438.568 4.172 50 0 IIAARN CC(C)OCCCNC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc21 ZINC000008871099 569480683 /nfs/dbraw/zinc/48/06/83/569480683.db2.gz KBIAXFGSNDXOPX-KRWDZBQOSA-N 0 0 431.540 4.321 50 0 IIAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000008871031 569480734 /nfs/dbraw/zinc/48/07/34/569480734.db2.gz WMWWGTPDWRTJKD-CQSZACIVSA-N 0 0 432.480 4.130 50 0 IIAARN C[C@]12C[C@H](CC(C)(C)C1)N1c3nc4ccccc4cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 ZINC000008879664 569481337 /nfs/dbraw/zinc/48/13/37/569481337.db2.gz IKIDGXCEPIMKPC-SZUKKWSHSA-N 0 0 434.536 4.387 50 0 biogenic IIAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000039667753 569481837 /nfs/dbraw/zinc/48/18/37/569481837.db2.gz LBGUYBQGDOARAH-GOSISDBHSA-N 0 0 428.401 4.397 50 0 IIAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2CC(C)C)cc1 ZINC000039743696 569481896 /nfs/dbraw/zinc/48/18/96/569481896.db2.gz UPACHGWTUOCZFV-UHFFFAOYSA-N 0 0 445.614 4.338 50 0 IIAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000039975578 569482161 /nfs/dbraw/zinc/48/21/61/569482161.db2.gz DOPGSXKNECQFTO-UHFFFAOYSA-N 0 0 429.929 4.391 50 0 IIAARN COc1cc(CNC(=O)[C@@H](C)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1 ZINC000039977900 569482180 /nfs/dbraw/zinc/48/21/80/569482180.db2.gz YBJGMRBMOUKTRE-LJQANCHMSA-N 0 0 448.519 4.205 50 0 IIAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCCOC1CCCCC1 ZINC000040020245 569482687 /nfs/dbraw/zinc/48/26/87/569482687.db2.gz GMMXHEIWEYGCNS-QGZVFWFLSA-N 0 0 430.492 4.364 50 0 IIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000040023484 569482729 /nfs/dbraw/zinc/48/27/29/569482729.db2.gz SWLVKKHEAHVWHQ-LJQANCHMSA-N 0 0 441.531 4.118 50 0 IIAARN Cc1ccc2c(CSc3nc(CN4CCOCC4)nc4ccccc43)cc(=O)oc2c1C ZINC000040024545 569482738 /nfs/dbraw/zinc/48/27/38/569482738.db2.gz ZNJNSJGRVQSADB-UHFFFAOYSA-N 0 0 447.560 4.478 50 0 IIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000008884450 569483147 /nfs/dbraw/zinc/48/31/47/569483147.db2.gz XOZGXRNQPKEWII-UHFFFAOYSA-N 0 0 444.484 4.012 50 0 IIAARN COc1cc(CCC2CCN(C(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc(OC)c1 ZINC000040033973 569483220 /nfs/dbraw/zinc/48/32/20/569483220.db2.gz NHRXRQUMGUDVKX-UHFFFAOYSA-N 0 0 436.552 4.098 50 0 IIAARN CCN(CC)[C@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000040043245 569483628 /nfs/dbraw/zinc/48/36/28/569483628.db2.gz UTWZKDFKGQSTTF-JOCHJYFZSA-N 0 0 440.565 4.066 50 0 IIAARN O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(c2nccs2)CC1 ZINC000040049230 569483828 /nfs/dbraw/zinc/48/38/28/569483828.db2.gz JEVGJBVEYADAFP-UHFFFAOYSA-N 0 0 435.578 4.274 50 0 IIAARN O=S(=O)(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2ccccc2C1 ZINC000040051269 569484446 /nfs/dbraw/zinc/48/44/46/569484446.db2.gz HSMBFHLPOWIXPW-UHFFFAOYSA-N 0 0 425.350 4.406 50 0 IIAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1NS(C)(=O)=O ZINC000040058911 569484701 /nfs/dbraw/zinc/48/47/01/569484701.db2.gz NPRFCXGKRLSRJL-SFHVURJKSA-N 0 0 429.567 4.344 50 0 IIAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n1 ZINC000040058903 569484704 /nfs/dbraw/zinc/48/47/04/569484704.db2.gz ITOBLIBIADVXCN-UHFFFAOYSA-N 0 0 431.539 4.059 50 0 IIAARN Cc1cc(=O)c(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)nn1-c1ccccc1Cl ZINC000040068547 569485092 /nfs/dbraw/zinc/48/50/92/569485092.db2.gz CNVASCVZMGEQDI-UHFFFAOYSA-N 0 0 437.912 4.295 50 0 IIAARN Cc1cc2occ(CC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)c2c(C)c1 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O=C(c1cc(=O)c(OCc2ccc(Cl)cc2)co1)N1CCO[C@H](c2ccccc2)C1 ZINC000040287547 569498211 /nfs/dbraw/zinc/49/82/11/569498211.db2.gz YOWGLCBQTKHFAC-NRFANRHFSA-N 0 0 425.868 4.086 50 0 IIAARN COCCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009049615 569498535 /nfs/dbraw/zinc/49/85/35/569498535.db2.gz UVZZIEINVMIZAD-KRWDZBQOSA-N 0 0 440.569 4.026 50 0 IIAARN O=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000009049796 569498544 /nfs/dbraw/zinc/49/85/44/569498544.db2.gz QZUNIRFZHXXWLW-UHFFFAOYSA-N 0 0 426.420 4.060 50 0 IIAARN COc1cc(C(C)=O)ccc1OCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000009052644 569498719 /nfs/dbraw/zinc/49/87/19/569498719.db2.gz MPGUWMJIJJRPPG-UHFFFAOYSA-N 0 0 425.554 4.099 50 0 IIAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1cccc3cccc(Cl)c31)C2=O ZINC000009056416 569499033 /nfs/dbraw/zinc/49/90/33/569499033.db2.gz DBUPYYAREZWAME-UHFFFAOYSA-N 0 0 431.945 4.117 50 0 IIAARN COc1cccc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@]23C(=O)Nc2ccccc23)c1 ZINC000009059021 569499277 /nfs/dbraw/zinc/49/92/77/569499277.db2.gz OPDDNPULPUFQMH-YKSBVNFPSA-N 0 0 432.863 4.430 50 0 IIAARN CN(CCc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355541 569499769 /nfs/dbraw/zinc/49/97/69/569499769.db2.gz WMYMGUUSDQAJTI-UHFFFAOYSA-N 0 0 435.336 4.412 50 0 IIAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009077620 569500344 /nfs/dbraw/zinc/50/03/44/569500344.db2.gz PFDVKMSARJGASY-IZHYLOQSSA-N 0 0 448.500 4.418 50 0 IIAARN COc1ccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C3CCCCC3)n2)cc1 ZINC000009095332 569501350 /nfs/dbraw/zinc/50/13/50/569501350.db2.gz LNTBUEVRLBRJBX-UHFFFAOYSA-N 0 0 435.480 4.449 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)NCCc2ccccc2)cc1 ZINC000009100918 569501710 /nfs/dbraw/zinc/50/17/10/569501710.db2.gz JSKRBFWHTUCJLQ-IBGZPJMESA-N 0 0 435.549 4.183 50 0 IIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCc3ccccc32)cc1 ZINC000009101020 569501737 /nfs/dbraw/zinc/50/17/37/569501737.db2.gz XCZUXZBYNSTPPN-GOSISDBHSA-N 0 0 433.533 4.413 50 0 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Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)ncn2)n1 ZINC000070656067 569550126 /nfs/dbraw/zinc/55/01/26/569550126.db2.gz CYXJWFYWINBERI-MRXNPFEDSA-N 0 0 444.461 4.153 50 0 IIAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000009591676 569550236 /nfs/dbraw/zinc/55/02/36/569550236.db2.gz CTMFZSJEUNDPFO-UHFFFAOYSA-N 0 0 440.496 4.426 50 0 IIAARN CCCN(C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1=CCCC1 ZINC000009594695 569550654 /nfs/dbraw/zinc/55/06/54/569550654.db2.gz OCHKTOSKMALWRW-HHHXNRCGSA-N 0 0 445.563 4.405 50 0 IIAARN CCc1ccccc1-n1c(SCc2ccc(-n3cccn3)cc2)nnc1N1CCOCC1 ZINC000009595206 569550676 /nfs/dbraw/zinc/55/06/76/569550676.db2.gz KDPWQWCJBGZZEL-UHFFFAOYSA-N 0 0 446.580 4.144 50 0 IIAARN COCCn1ccc2c1cccc2NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000070666656 569550690 /nfs/dbraw/zinc/55/06/90/569550690.db2.gz WLGGTTMVXBEGDP-UHFFFAOYSA-N 0 0 434.492 4.282 50 0 biogenic IIAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000009596707 569550833 /nfs/dbraw/zinc/55/08/33/569550833.db2.gz SBQWMJBMNHPMDD-SFHVURJKSA-N 0 0 432.553 4.039 50 0 IIAARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccs2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000009601977 569551637 /nfs/dbraw/zinc/55/16/37/569551637.db2.gz LRBWNOIDUWLZFX-FQEVSTJZSA-N 0 0 444.520 4.338 50 0 IIAARN CCOc1ccc(CCNC(=O)c2nnc(Cc3cccc(Cl)c3)o2)cc1OCC ZINC000009605093 569551899 /nfs/dbraw/zinc/55/18/99/569551899.db2.gz NYBCSSBXBXGVOZ-UHFFFAOYSA-N 0 0 429.904 4.084 50 0 IIAARN O=C1CCCN1Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccn1 ZINC000009605873 569551921 /nfs/dbraw/zinc/55/19/21/569551921.db2.gz AOTBQKUIBBSWBT-UHFFFAOYSA-N 0 0 434.352 4.384 50 0 IIAARN COc1ccccc1CNC(=O)CCc1c(C)nc2cc(-c3cccc(F)c3)nn2c1C ZINC000009609655 569552372 /nfs/dbraw/zinc/55/23/72/569552372.db2.gz PKWQSPLOHMATJP-UHFFFAOYSA-N 0 0 432.499 4.410 50 0 IIAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009614099 569553063 /nfs/dbraw/zinc/55/30/63/569553063.db2.gz RLMJIHMRXVOKCX-KRWDZBQOSA-N 0 0 449.173 4.112 50 0 IIAARN Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)C)nc2-c2ccc(C)cc2)cc1 ZINC000009632218 569553992 /nfs/dbraw/zinc/55/39/92/569553992.db2.gz UQHKNNKUIGJZMU-UHFFFAOYSA-N 0 0 435.553 4.149 50 0 IIAARN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000009632919 569554136 /nfs/dbraw/zinc/55/41/36/569554136.db2.gz UURZQDOBOPJYEU-IBGZPJMESA-N 0 0 438.549 4.076 50 0 IIAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000009633158 569554167 /nfs/dbraw/zinc/55/41/67/569554167.db2.gz UTLBKTFZDJBBLH-UHFFFAOYSA-N 0 0 436.533 4.302 50 0 IIAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)NCCc1ccc(F)cc1 ZINC000009633275 569554211 /nfs/dbraw/zinc/55/42/11/569554211.db2.gz WQUVIVQGNMNPEK-UHFFFAOYSA-N 0 0 425.460 4.374 50 0 IIAARN COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 ZINC000009633288 569554224 /nfs/dbraw/zinc/55/42/24/569554224.db2.gz SFYFQUPBRAQULR-UHFFFAOYSA-N 0 0 449.846 4.284 50 0 IIAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000009634387 569554429 /nfs/dbraw/zinc/55/44/29/569554429.db2.gz ZUIVUKPXHXTRMG-UHFFFAOYSA-N 0 0 441.516 4.110 50 0 IIAARN Cc1nn(C)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)[C@H](NC(=O)c1ccccc1)C(=O)N2 ZINC000009634365 569554458 /nfs/dbraw/zinc/55/44/58/569554458.db2.gz GHOGWZIEQTWHCE-RPWUZVMVSA-N 0 0 436.515 4.278 50 0 IIAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000009634919 569554559 /nfs/dbraw/zinc/55/45/59/569554559.db2.gz LFALMRCCGOWIRB-DYESRHJHSA-N 0 0 442.581 4.066 50 0 IIAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)n2nc(-c3cccc(Cl)c3)nc2N1 ZINC000009638050 569554949 /nfs/dbraw/zinc/55/49/49/569554949.db2.gz HSJVAEAVHHNOQL-HXUWFJFHSA-N 0 0 443.898 4.316 50 0 IIAARN COc1ccc(Cl)cc1-n1nnc(-c2nsc(NC(=O)c3cccc(C)c3)n2)c1C ZINC000009639101 569555078 /nfs/dbraw/zinc/55/50/78/569555078.db2.gz VUWLTBLRAGPVQY-UHFFFAOYSA-N 0 0 440.916 4.317 50 0 IIAARN CSc1nn(Cc2ccc(C)cc2)c(NC(C)=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009640028 569555245 /nfs/dbraw/zinc/55/52/45/569555245.db2.gz GYVYWFVPNTVJEU-UHFFFAOYSA-N 0 0 449.985 4.406 50 0 IIAARN CCc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n21 ZINC000009640904 569555551 /nfs/dbraw/zinc/55/55/51/569555551.db2.gz DAGRBFFMKCCTRS-UHFFFAOYSA-N 0 0 426.929 4.472 50 0 IIAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n21 ZINC000009641309 569555609 /nfs/dbraw/zinc/55/56/09/569555609.db2.gz BGWFHWKDGAGVGQ-UHFFFAOYSA-N 0 0 447.564 4.421 50 0 IIAARN Cc1ccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n32)c(C)c1 ZINC000009641483 569555687 /nfs/dbraw/zinc/55/56/87/569555687.db2.gz AEATXVKUYIMTDY-UHFFFAOYSA-N 0 0 439.928 4.086 50 0 IIAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000009643342 569555889 /nfs/dbraw/zinc/55/58/89/569555889.db2.gz QKPJYPGRHXEPCZ-QLXKLKPCSA-N 0 0 447.535 4.115 50 0 IIAARN O=C(c1cccs1)N1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 ZINC000009643017 569555924 /nfs/dbraw/zinc/55/59/24/569555924.db2.gz JVKHKLCDNJUABM-UHFFFAOYSA-N 0 0 448.573 4.261 50 0 IIAARN COc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cn1 ZINC000009643742 569555937 /nfs/dbraw/zinc/55/59/37/569555937.db2.gz UGJQIPQYPPYFAA-UHFFFAOYSA-N 0 0 447.516 4.225 50 0 IIAARN CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)n2)cc1 ZINC000009645172 569556059 /nfs/dbraw/zinc/55/60/59/569556059.db2.gz BQFYHLAHVMIPHM-CQSZACIVSA-N 0 0 441.578 4.335 50 0 IIAARN Cc1cc(NC(=O)CC2CCCCC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661173 569556999 /nfs/dbraw/zinc/55/69/99/569556999.db2.gz HZWJBVVQGOGRQA-UHFFFAOYSA-N 0 0 433.491 4.358 50 0 IIAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000009661097 569557008 /nfs/dbraw/zinc/55/70/08/569557008.db2.gz KGTXJSOHOSZKAL-UHFFFAOYSA-N 0 0 443.898 4.144 50 0 IIAARN O=C(NCc1cccs1)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661638 569557028 /nfs/dbraw/zinc/55/70/28/569557028.db2.gz KBFBJNYXMRFYGX-UHFFFAOYSA-N 0 0 440.528 4.179 50 0 IIAARN O=S(=O)(NCc1ccco1)c1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000009662332 569557111 /nfs/dbraw/zinc/55/71/11/569557111.db2.gz SWLIVRHPSOQNJB-UHFFFAOYSA-N 0 0 439.921 4.360 50 0 IIAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(F)cc1Cl ZINC000009666034 569557616 /nfs/dbraw/zinc/55/76/16/569557616.db2.gz OLZVTROBBBAWRV-UHFFFAOYSA-N 0 0 429.757 4.030 50 0 IIAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1C ZINC000009665865 569557623 /nfs/dbraw/zinc/55/76/23/569557623.db2.gz UDNDIHNMQQYKJZ-UHFFFAOYSA-N 0 0 437.468 4.378 50 0 IIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000009667981 569557939 /nfs/dbraw/zinc/55/79/39/569557939.db2.gz BVJNLOCZEAMORD-FQEVSTJZSA-N 0 0 436.577 4.404 50 0 IIAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000009668639 569557985 /nfs/dbraw/zinc/55/79/85/569557985.db2.gz RYLRAVBRZFOMBA-UHFFFAOYSA-N 0 0 438.549 4.142 50 0 IIAARN COCCn1c(C)cc(C(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C ZINC000009669646 569558135 /nfs/dbraw/zinc/55/81/35/569558135.db2.gz CKRFATRQZIMTHA-UHFFFAOYSA-N 0 0 435.549 4.381 50 0 IIAARN Cc1cc2oc(=O)cc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)c2cc1Cl ZINC000009670472 569558355 /nfs/dbraw/zinc/55/83/55/569558355.db2.gz AQDGVZDWBFTZSK-QFIPXVFZSA-N 0 0 441.892 4.427 50 0 IIAARN COc1cc(CN(C)S(=O)(=O)c2cccc(C(C)=O)c2)ccc1OCc1ccccc1 ZINC000009670723 569558421 /nfs/dbraw/zinc/55/84/21/569558421.db2.gz JTQYRGWKZXMPGU-UHFFFAOYSA-N 0 0 439.533 4.298 50 0 IIAARN Cc1ccc(N(C(=O)CCN2C(=O)NC(C)(C)C2=O)c2nc3ccccc3s2)cc1F ZINC000009671521 569558535 /nfs/dbraw/zinc/55/85/35/569558535.db2.gz VEIGTKDOMIVPMG-UHFFFAOYSA-N 0 0 440.500 4.129 50 0 IIAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1 ZINC000009672578 569558856 /nfs/dbraw/zinc/55/88/56/569558856.db2.gz ALFALMJUHURHNQ-UHFFFAOYSA-N 0 0 430.559 4.333 50 0 IIAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)c1 ZINC000009673773 569558972 /nfs/dbraw/zinc/55/89/72/569558972.db2.gz JSQPKYAZLWOSNG-IBGZPJMESA-N 0 0 443.912 4.296 50 0 IIAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000009678282 569559675 /nfs/dbraw/zinc/55/96/75/569559675.db2.gz YHBNBOJBTZVPMZ-UHFFFAOYSA-N 0 0 437.565 4.398 50 0 IIAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679490 569559869 /nfs/dbraw/zinc/55/98/69/569559869.db2.gz BWSXNXRNAIFQEZ-LJQANCHMSA-N 0 0 440.297 4.407 50 0 IIAARN COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000009681975 569560295 /nfs/dbraw/zinc/56/02/95/569560295.db2.gz NNUMMLXAELHWMO-UHFFFAOYSA-N 0 0 438.487 4.447 50 0 IIAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3Cl)s2)on1 ZINC000009688976 569560874 /nfs/dbraw/zinc/56/08/74/569560874.db2.gz PWIPHJCNJGQUON-UHFFFAOYSA-N 0 0 430.866 4.173 50 0 IIAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)n1Cc1ccco1 ZINC000009691372 569561001 /nfs/dbraw/zinc/56/10/01/569561001.db2.gz OWWIRGGDPZWJFI-IZHWHUGBSA-N 0 0 425.529 4.066 50 0 IIAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(C)C ZINC000009703978 569561412 /nfs/dbraw/zinc/56/14/12/569561412.db2.gz DHIJVRWKMDOUKP-UHFFFAOYSA-N 0 0 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