smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O ZINC000000641531 193867858 /nfs/dbraw/zinc/86/78/58/193867858.db2.gz PPHHNZWJDHKSDP-HXUWFJFHSA-N 0 0 443.525 3.240 50 0 IGAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccn1)C1CCCCC1 ZINC000006142127 193881897 /nfs/dbraw/zinc/88/18/97/193881897.db2.gz MEQQBNJVRAKLKK-UHFFFAOYSA-N 0 0 429.542 3.082 50 0 IGAARN COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc(C)cc3C)c2=O)cc1OC ZINC000009830974 193898307 /nfs/dbraw/zinc/89/83/07/193898307.db2.gz PINZJLKVWGXLNV-UHFFFAOYSA-N 0 0 445.519 3.483 50 0 IGAARN COc1ccc(OC)c(NC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)c1 ZINC000009860854 193911247 /nfs/dbraw/zinc/91/12/47/193911247.db2.gz WQEDBZBFTIHBOV-UHFFFAOYSA-N 0 0 430.464 3.038 50 0 IGAARN COc1cc(OC)c(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1Cl ZINC000051319265 193925193 /nfs/dbraw/zinc/92/51/93/193925193.db2.gz ZHVFBBACYJDUTC-UHFFFAOYSA-N 0 0 437.884 3.199 50 0 IGAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccco1 ZINC000000622047 132227742 /nfs/dbraw/zinc/22/77/42/132227742.db2.gz IHKLQGVGMCNMCE-UHFFFAOYSA-N 0 0 434.521 3.369 50 0 IGAARN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000000758042 132230181 /nfs/dbraw/zinc/23/01/81/132230181.db2.gz IOXXNJMBKABMCY-UHFFFAOYSA-N 0 0 427.570 3.132 50 0 IGAARN O=C1c2ccccc2S(=O)(=O)N1C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000000877995 132232137 /nfs/dbraw/zinc/23/21/37/132232137.db2.gz IMNYVCDBGTXLAY-OAHLLOKOSA-N 0 0 438.530 3.495 50 0 IGAARN O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc4c(c32)CCCCC4)CC1 ZINC000009638128 132234465 /nfs/dbraw/zinc/23/44/65/132234465.db2.gz VPADBVUHQDHSFX-UHFFFAOYSA-N 0 0 428.583 3.471 50 0 IGAARN Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c(Br)c1 ZINC000001161550 132237973 /nfs/dbraw/zinc/23/79/73/132237973.db2.gz KYVPXFKGLCUTHC-GOSISDBHSA-N 0 0 444.329 3.338 50 0 IGAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000001174450 132238463 /nfs/dbraw/zinc/23/84/63/132238463.db2.gz SDLTWTQMLHKRIR-UHFFFAOYSA-N 0 0 425.348 3.359 50 0 IGAARN C[C@@H]1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nn1 ZINC000010213333 132243513 /nfs/dbraw/zinc/24/35/13/132243513.db2.gz WJJZKIZYYLNHDP-CQSZACIVSA-N 0 0 434.338 3.173 50 0 IGAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002618475 132255249 /nfs/dbraw/zinc/25/52/49/132255249.db2.gz UXAQRGLQMSGOFT-INIZCTEOSA-N 0 0 439.541 3.232 50 0 IGAARN CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)nc1N ZINC000002886746 132258407 /nfs/dbraw/zinc/25/84/07/132258407.db2.gz RHTTZLSADWHBEU-GDBMZVCRSA-N 0 0 440.550 3.330 50 0 IGAARN Cc1cc(N2C(=O)c3ccc(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)cc3C2=O)no1 ZINC000003014986 132260437 /nfs/dbraw/zinc/26/04/37/132260437.db2.gz UTZUCEWUPJFMMG-MRXNPFEDSA-N 0 0 444.491 3.443 50 0 IGAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000003337008 132264333 /nfs/dbraw/zinc/26/43/33/132264333.db2.gz WUYMECFRIADVSH-UHFFFAOYSA-N 0 0 445.928 3.170 50 0 IGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000003459072 132265783 /nfs/dbraw/zinc/26/57/83/132265783.db2.gz KCFIYCZNRDKURT-UHFFFAOYSA-N 0 0 426.498 3.313 50 0 IGAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccccc1N1CCOCC1 ZINC000003540902 132265984 /nfs/dbraw/zinc/26/59/84/132265984.db2.gz CGDKRBNIDPGFIJ-UHFFFAOYSA-N 0 0 448.361 3.365 50 0 IGAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC(C)C)c1 ZINC000003670571 132267687 /nfs/dbraw/zinc/26/76/87/132267687.db2.gz TUIXIWUEXGGSMQ-LJQANCHMSA-N 0 0 434.290 3.180 50 0 IGAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(c2ccccc2F)CC1 ZINC000004030185 132268539 /nfs/dbraw/zinc/26/85/39/132268539.db2.gz AIZVSGOPNHCKJY-UHFFFAOYSA-N 0 0 431.467 3.314 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCCc2ccccc21 ZINC000004078111 132269495 /nfs/dbraw/zinc/26/94/95/132269495.db2.gz HRYMVHUVNCSUDV-UHFFFAOYSA-N 0 0 442.566 3.071 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000004762649 132273594 /nfs/dbraw/zinc/27/35/94/132273594.db2.gz LXNMXVFGYLOZAM-JOCHJYFZSA-N 0 0 445.560 3.026 50 0 IGAARN O=C(/C=C\c1ccc(Br)o1)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006189394 132276729 /nfs/dbraw/zinc/27/67/29/132276729.db2.gz DRCNKJUUAFXBPY-VURMDHGXSA-N 0 0 435.274 3.074 50 0 IGAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007736921 132280693 /nfs/dbraw/zinc/28/06/93/132280693.db2.gz FWCOSHYLVBTIHV-CQSZACIVSA-N 0 0 425.451 3.272 50 0 IGAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc21 ZINC000008592755 132284226 /nfs/dbraw/zinc/28/42/26/132284226.db2.gz FZUFMKVDSRXBPG-UHFFFAOYSA-N 0 0 440.930 3.061 50 0 IGAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000008592813 132284259 /nfs/dbraw/zinc/28/42/59/132284259.db2.gz CWGJSQTYBJNHGZ-UHFFFAOYSA-N 0 0 440.930 3.061 50 0 IGAARN CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1nc(C)n2c3ccsc3cc2c1=O ZINC000008605173 132287036 /nfs/dbraw/zinc/28/70/36/132287036.db2.gz MPBALNMNYKHZOK-GOSISDBHSA-N 0 0 435.553 3.319 50 0 IGAARN NC(=O)[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2O1 ZINC000008723740 132291997 /nfs/dbraw/zinc/29/19/97/132291997.db2.gz NHKJTLBAYSCGTC-JOCHJYFZSA-N 0 0 425.504 3.240 50 0 IGAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2)c4=O)cc1C ZINC000009090053 132302549 /nfs/dbraw/zinc/30/25/49/132302549.db2.gz ZJOLNYFVNILKTD-INIZCTEOSA-N 0 0 429.524 3.350 50 0 IGAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000009136502 132306458 /nfs/dbraw/zinc/30/64/58/132306458.db2.gz NKENJYMWQHFALB-UHFFFAOYSA-N 0 0 439.471 3.401 50 0 IGAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)c1 ZINC000009158891 132307290 /nfs/dbraw/zinc/30/72/90/132307290.db2.gz VSTHZOTWZUUSAY-UHFFFAOYSA-N 0 0 433.487 3.243 50 0 IGAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)c1 ZINC000009160604 132307374 /nfs/dbraw/zinc/30/73/74/132307374.db2.gz ZBUARFSPPZLQOP-QGZVFWFLSA-N 0 0 447.514 3.489 50 0 IGAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000009192206 132308136 /nfs/dbraw/zinc/30/81/36/132308136.db2.gz BSMSRPJYRVXYNF-WMZOPIPTSA-N 0 0 442.589 3.239 50 0 IGAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000009206068 132308519 /nfs/dbraw/zinc/30/85/19/132308519.db2.gz FGUBXXQUMYNOQW-HXUWFJFHSA-N 0 0 433.556 3.227 50 0 IGAARN Cc1cccc(CCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)c1 ZINC000009211056 132308903 /nfs/dbraw/zinc/30/89/03/132308903.db2.gz YBOKWANEQAUMLA-HXUWFJFHSA-N 0 0 432.572 3.436 50 0 IGAARN Cc1cccc(CCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)c1 ZINC000009211057 132308922 /nfs/dbraw/zinc/30/89/22/132308922.db2.gz YBOKWANEQAUMLA-FQEVSTJZSA-N 0 0 432.572 3.436 50 0 IGAARN Cc1ccc2[nH]c3c(cnn(CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3=O)c2c1 ZINC000009225940 132309977 /nfs/dbraw/zinc/30/99/77/132309977.db2.gz HUUZBMJZQFJDGJ-UHFFFAOYSA-N 0 0 435.915 3.188 50 0 IGAARN Cc1noc2ncnc(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)c12 ZINC000009228939 132310020 /nfs/dbraw/zinc/31/00/20/132310020.db2.gz GNUJZCLKINDFLZ-INIZCTEOSA-N 0 0 440.935 3.145 50 0 IGAARN CSc1ccc([C@H]2N=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009264601 132311824 /nfs/dbraw/zinc/31/18/24/132311824.db2.gz MFCHGQFCJKATNA-QFIPXVFZSA-N 0 0 446.580 3.424 50 0 IGAARN CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000009435542 132317563 /nfs/dbraw/zinc/31/75/63/132317563.db2.gz LXXIQCJTFKMNPM-UHFFFAOYSA-N 0 0 443.544 3.054 50 0 IGAARN Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccccc3Cl)CC2)n1 ZINC000009435747 132317651 /nfs/dbraw/zinc/31/76/51/132317651.db2.gz MJVGYGWSSFYOLE-UHFFFAOYSA-N 0 0 434.935 3.261 50 0 IGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)n2N)cc1 ZINC000009509273 132319802 /nfs/dbraw/zinc/31/98/02/132319802.db2.gz QDJDZGFVJIUBIP-UHFFFAOYSA-N 0 0 438.557 3.389 50 0 IGAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 ZINC000009573255 132321982 /nfs/dbraw/zinc/32/19/82/132321982.db2.gz CTXKXDSNUFNYKF-UHFFFAOYSA-N 0 0 433.512 3.265 50 0 IGAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)N1CC(=O)Nc2ccccc21 ZINC000009575326 132322158 /nfs/dbraw/zinc/32/21/58/132322158.db2.gz BWOOXTLGRMPPEP-UHFFFAOYSA-N 0 0 447.516 3.033 50 0 IGAARN Cc1ccc(CNC(=O)CN2c3ccccc3N(C(=O)NCc3ccccc3)CC2=O)cc1 ZINC000009588368 132322409 /nfs/dbraw/zinc/32/24/09/132322409.db2.gz LOCXSRJKNFRMFW-UHFFFAOYSA-N 0 0 442.519 3.374 50 0 IGAARN O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCc1ccccc1 ZINC000009588408 132322424 /nfs/dbraw/zinc/32/24/24/132322424.db2.gz PBXWOIZQVQSREV-UHFFFAOYSA-N 0 0 442.519 3.108 50 0 IGAARN O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCc1cccc(F)c1 ZINC000009588632 132322540 /nfs/dbraw/zinc/32/25/40/132322540.db2.gz ILJFWZWASKTRCH-UHFFFAOYSA-N 0 0 446.482 3.205 50 0 IGAARN O=C(CC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000009597132 132322771 /nfs/dbraw/zinc/32/27/71/132322771.db2.gz VQEKNJUFCQLCCO-UHFFFAOYSA-N 0 0 435.590 3.217 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000009632113 132323948 /nfs/dbraw/zinc/32/39/48/132323948.db2.gz ULTQXFIWWJQVPD-UHFFFAOYSA-N 0 0 447.988 3.090 50 0 IGAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000009686188 132325846 /nfs/dbraw/zinc/32/58/46/132325846.db2.gz IPGCADBZXLUWKK-UHFFFAOYSA-N 0 0 439.519 3.111 50 0 IGAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc21 ZINC000009781936 132328944 /nfs/dbraw/zinc/32/89/44/132328944.db2.gz QTKCTKBAAXENBA-OAQYLSRUSA-N 0 0 442.537 3.283 50 0 IGAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000009885249 132330905 /nfs/dbraw/zinc/33/09/05/132330905.db2.gz WMVIJGJPNCIBON-UHFFFAOYSA-N 0 0 437.327 3.326 50 0 IGAARN CCOc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000009972101 132333464 /nfs/dbraw/zinc/33/34/64/132333464.db2.gz QPVMMLFKAZKMII-UHFFFAOYSA-N 0 0 437.949 3.073 50 0 IGAARN CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000010256391 132335118 /nfs/dbraw/zinc/33/51/18/132335118.db2.gz SYPYNDWJLPZFQV-UHFFFAOYSA-N 0 0 449.515 3.034 50 0 IGAARN COc1ccc(C)cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010511997 132335962 /nfs/dbraw/zinc/33/59/62/132335962.db2.gz VZCYHLRLVVAUQC-UHFFFAOYSA-N 0 0 434.422 3.315 50 0 IGAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nncn1CCc1cccs1 ZINC000011106593 132337232 /nfs/dbraw/zinc/33/72/32/132337232.db2.gz DUXUAZIBJTZGJT-UHFFFAOYSA-N 0 0 427.555 3.438 50 0 IGAARN COc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011220126 132337478 /nfs/dbraw/zinc/33/74/78/132337478.db2.gz UHAULFOPTBUMAE-ZDUSSCGKSA-N 0 0 448.449 3.246 50 0 IGAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)N1CCCc2ccccc21 ZINC000011758463 132339400 /nfs/dbraw/zinc/33/94/00/132339400.db2.gz KKEIIXXJVKGXOX-UHFFFAOYSA-N 0 0 434.500 3.480 50 0 IGAARN COc1cccc(N2CCN(C(=O)CN3Cc4cc(Cl)ccc4O[C@@H](C)C3)CC2)c1 ZINC000011790971 132340005 /nfs/dbraw/zinc/34/00/05/132340005.db2.gz MGFLHXKKBHUDOX-KRWDZBQOSA-N 0 0 429.948 3.280 50 0 IGAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCN1C(=O)COc2ccccc21 ZINC000012984529 132341461 /nfs/dbraw/zinc/34/14/61/132341461.db2.gz JNXJXDUJFAZTTL-UHFFFAOYSA-N 0 0 449.429 3.308 50 0 IGAARN Cc1ccc(C(=O)NCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013038572 132342926 /nfs/dbraw/zinc/34/29/26/132342926.db2.gz CWQORBFCJFFMPO-UHFFFAOYSA-N 0 0 440.853 3.141 50 0 IGAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000013164333 132346195 /nfs/dbraw/zinc/34/61/95/132346195.db2.gz SUYPRTLQDAPZRF-GOTSBHOMSA-N 0 0 427.504 3.066 50 0 IGAARN O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000013608112 132351625 /nfs/dbraw/zinc/35/16/25/132351625.db2.gz WDLNQGGUTTWQHC-UHFFFAOYSA-N 0 0 430.464 3.372 50 0 IGAARN C[C@@]1(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC1(Cl)Cl ZINC000014171279 132356320 /nfs/dbraw/zinc/35/63/20/132356320.db2.gz NHTFOOUZHUZAFU-SFHVURJKSA-N 0 0 441.746 3.118 50 0 IGAARN CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000012100099 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O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccccc1F ZINC000020729849 526414780 /nfs/dbraw/zinc/41/47/80/526414780.db2.gz LPBQTHCVLXGGJR-UHFFFAOYSA-N 0 0 436.487 3.400 50 0 IGAARN O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N1CCN(Cc2ccccc2)CC1 ZINC000012847775 526458328 /nfs/dbraw/zinc/45/83/28/526458328.db2.gz YXBRSKLIUSZIOM-FQEVSTJZSA-N 0 0 428.330 3.287 50 0 IGAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000001114559 526468749 /nfs/dbraw/zinc/46/87/49/526468749.db2.gz ABROUZSFCHZWIT-GOSISDBHSA-N 0 0 447.988 3.090 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCc1ccc(Cl)cc1 ZINC000020995503 526537387 /nfs/dbraw/zinc/53/73/87/526537387.db2.gz ASFPTNFIOKQTQW-UHFFFAOYSA-N 0 0 446.956 3.119 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)N[C@@H]1CCCc2ccccc21 ZINC000020510341 526537609 /nfs/dbraw/zinc/53/76/09/526537609.db2.gz XDQPCWGLDLPFFT-QGZVFWFLSA-N 0 0 430.551 3.088 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(Br)c1 ZINC000012911239 526539041 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CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000012973064 556419274 /nfs/dbraw/zinc/41/92/74/556419274.db2.gz SPNNJFSXNONMBQ-GOSISDBHSA-N 0 0 443.550 3.141 50 0 IGAARN CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)c2cc(-c3ccccc3)no2)CC1=O ZINC000014531608 556420676 /nfs/dbraw/zinc/42/06/76/556420676.db2.gz BXXPKCAHRUSDDX-OAQYLSRUSA-N 0 0 448.523 3.262 50 0 IGAARN O=C(NCc1ccccn1)c1cc(NC2CCCC2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014534962 556422804 /nfs/dbraw/zinc/42/28/04/556422804.db2.gz QXAQJAYGXKHYRU-UHFFFAOYSA-N 0 0 428.558 3.151 50 0 IGAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000012978738 556423298 /nfs/dbraw/zinc/42/32/98/556423298.db2.gz YHLHOXMVJVINLH-BZNIZROVSA-N 0 0 447.340 3.084 50 0 IGAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000012978734 556423387 /nfs/dbraw/zinc/42/33/87/556423387.db2.gz YHLHOXMVJVINLH-BDJLRTHQSA-N 0 0 447.340 3.084 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 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CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000058390672 556784503 /nfs/dbraw/zinc/78/45/03/556784503.db2.gz ZRXWOWGNRDXGEE-UHFFFAOYSA-N 0 0 442.310 3.305 50 0 IGAARN CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000058414376 556786614 /nfs/dbraw/zinc/78/66/14/556786614.db2.gz JYNVWOSKPYXLCY-UHFFFAOYSA-N 0 0 435.480 3.236 50 0 IGAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000058421686 556787351 /nfs/dbraw/zinc/78/73/51/556787351.db2.gz JHMBWUFTNSPUAB-AWEZNQCLSA-N 0 0 439.324 3.123 50 0 IGAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(Cn2ccnc2)c1 ZINC000058440169 556788952 /nfs/dbraw/zinc/78/89/52/556788952.db2.gz MSBYBDHGRDBFSI-UHFFFAOYSA-N 0 0 445.570 3.099 50 0 IGAARN Cc1cnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000011198934 556798008 /nfs/dbraw/zinc/79/80/08/556798008.db2.gz LUJUXWNPYILNQZ-ZDUSSCGKSA-N 0 0 430.349 3.006 50 0 IGAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc5nsnc54)C3)nn2)n1 ZINC000062164366 556798027 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NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000002647407 556801964 /nfs/dbraw/zinc/80/19/64/556801964.db2.gz YZUOXAZLOGOSJO-UHFFFAOYSA-N 0 0 440.506 3.023 50 0 IGAARN Cc1noc(C2CCN(C(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)CC2)n1 ZINC000059588502 556802862 /nfs/dbraw/zinc/80/28/62/556802862.db2.gz BHIXNOFLDAZELD-UHFFFAOYSA-N 0 0 447.417 3.271 50 0 IGAARN Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000033052800 556803393 /nfs/dbraw/zinc/80/33/93/556803393.db2.gz UIQBRVARTDTKPI-UHFFFAOYSA-N 0 0 427.570 3.310 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000003190712 556803984 /nfs/dbraw/zinc/80/39/84/556803984.db2.gz HDAUICGXYREAIV-UHFFFAOYSA-N 0 0 441.347 3.497 50 0 IGAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000003194194 556804420 /nfs/dbraw/zinc/80/44/20/556804420.db2.gz JNLPQYRIYADSTP-UHFFFAOYSA-N 0 0 440.550 3.015 50 0 IGAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC ZINC000003224642 556805659 /nfs/dbraw/zinc/80/56/59/556805659.db2.gz NXIQUEOEPRLRFT-QPJJXVBHSA-N 0 0 425.359 3.325 50 0 IGAARN Cc1nn([C@@H](C)C(=O)NCc2ccco2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057897 556807756 /nfs/dbraw/zinc/80/77/56/556807756.db2.gz VJBSKDXKXVXMLT-KRWDZBQOSA-N 0 0 442.479 3.152 50 0 IGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NCCc3ccccc3)CC2)c1C ZINC000003311256 556809474 /nfs/dbraw/zinc/80/94/74/556809474.db2.gz BBECOHWBBKYPKV-UHFFFAOYSA-N 0 0 445.654 3.344 50 0 IGAARN CCOc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2cccc(C)c2)cc1 ZINC000003368146 556812095 /nfs/dbraw/zinc/81/20/95/556812095.db2.gz SHXKBURVWJKJPY-UHFFFAOYSA-N 0 0 426.542 3.496 50 0 IGAARN Cc1cc(C)n2nc(C(=O)OCC(=O)N(CCc3ccccc3)Cc3ccccc3)nc2n1 ZINC000003365360 556812098 /nfs/dbraw/zinc/81/20/98/556812098.db2.gz UFMCYUHFPJWWSY-UHFFFAOYSA-N 0 0 443.507 3.169 50 0 IGAARN Nn1c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1cccnc1 ZINC000003346109 556813328 /nfs/dbraw/zinc/81/33/28/556813328.db2.gz QNFBOWWRJRCTQP-UHFFFAOYSA-N 0 0 430.537 3.375 50 0 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/nfs/dbraw/zinc/83/12/19/556831219.db2.gz JVSSUOJUUSFHCU-IERDGZPVSA-N 0 0 431.510 3.051 50 0 IGAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 ZINC000065364149 556835452 /nfs/dbraw/zinc/83/54/52/556835452.db2.gz GXZXRZMPMXVBOR-UHFFFAOYSA-N 0 0 431.525 3.057 50 0 IGAARN Cc1ccsc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019637027 556835794 /nfs/dbraw/zinc/83/57/94/556835794.db2.gz WNGSEFHETPFOIV-LJQANCHMSA-N 0 0 427.570 3.208 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019637581 556835986 /nfs/dbraw/zinc/83/59/86/556835986.db2.gz OJVTZSLFVHQINP-UHFFFAOYSA-N 0 0 442.990 3.159 50 0 IGAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1cc(OC)ccc1OC ZINC000072405376 556840690 /nfs/dbraw/zinc/84/06/90/556840690.db2.gz GVKILYHPAYZNAR-SFHVURJKSA-N 0 0 436.468 3.236 50 0 IGAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCNC(=O)c4ccncc4)c(C)c3cc2c1C ZINC000008765004 556845745 /nfs/dbraw/zinc/84/57/45/556845745.db2.gz KYJGHWMQJFUYAD-UHFFFAOYSA-N 0 0 447.491 3.338 50 0 IGAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1 ZINC000008774320 556846078 /nfs/dbraw/zinc/84/60/78/556846078.db2.gz TZGKBCJAHLVYDN-UHFFFAOYSA-N 0 0 438.581 3.041 50 0 IGAARN CCOC(=O)C[C@H](NC(=O)N1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 ZINC000033106523 556859063 /nfs/dbraw/zinc/85/90/63/556859063.db2.gz QSAGUSXABBBGBX-FQEVSTJZSA-N 0 0 435.528 3.099 50 0 IGAARN COCCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccccc3C)s2)cc1 ZINC000033114291 556861293 /nfs/dbraw/zinc/86/12/93/556861293.db2.gz AQLAQSXQNLBEHI-UHFFFAOYSA-N 0 0 426.498 3.054 50 0 IGAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3cccc(F)c3)c1)NC(=O)CCC2=O ZINC000033123049 556863859 /nfs/dbraw/zinc/86/38/59/556863859.db2.gz WMTIANQTQMHFDF-UHFFFAOYSA-N 0 0 442.472 3.479 50 0 IGAARN COc1ccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000033129812 556869144 /nfs/dbraw/zinc/86/91/44/556869144.db2.gz CTUHWLCCQREFQK-UHFFFAOYSA-N 0 0 443.569 3.216 50 0 IGAARN O=C(Nc1ccc(Br)cc1F)N1CCN(CCn2cnc3cccnc32)CC1 ZINC000033139695 556874587 /nfs/dbraw/zinc/87/45/87/556874587.db2.gz WQZOPUMXEDJLFZ-UHFFFAOYSA-N 0 0 447.312 3.183 50 0 IGAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)-c3oncc3CO4)CC2)c1C ZINC000033171219 556882313 /nfs/dbraw/zinc/88/23/13/556882313.db2.gz IWMBTDJPGRJLIL-UHFFFAOYSA-N 0 0 425.510 3.362 50 0 IGAARN COc1ccc(OC)c(NC(=O)Cn2nc(N3CCC(C)CC3)c3ccccc3c2=O)c1 ZINC000033174973 556886662 /nfs/dbraw/zinc/88/66/62/556886662.db2.gz SDMCJPDSSGAGCQ-UHFFFAOYSA-N 0 0 436.512 3.289 50 0 IGAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1 ZINC000033249388 556889147 /nfs/dbraw/zinc/88/91/47/556889147.db2.gz YIVCZJAVHUHJSH-UHFFFAOYSA-N 0 0 444.484 3.078 50 0 IGAARN CCOc1cc(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC ZINC000033254520 556890592 /nfs/dbraw/zinc/89/05/92/556890592.db2.gz LKFIBLQUDYSOTQ-UHFFFAOYSA-N 0 0 446.569 3.201 50 0 IGAARN COc1ccc(OC)c(Nc2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)c1 ZINC000033250568 556891520 /nfs/dbraw/zinc/89/15/20/556891520.db2.gz NYRAEXQZNDRDFN-UHFFFAOYSA-N 0 0 429.498 3.017 50 0 IGAARN COc1ccc(CNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)c(OC)c1 ZINC000033256206 556895346 /nfs/dbraw/zinc/89/53/46/556895346.db2.gz LJDPHTSDBANBEN-UHFFFAOYSA-N 0 0 439.560 3.017 50 0 IGAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4OC)ccc3n2)CC1 ZINC000033260853 556897536 /nfs/dbraw/zinc/89/75/36/556897536.db2.gz OTFISMRFBNRCJN-UHFFFAOYSA-N 0 0 434.496 3.336 50 0 IGAARN CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 ZINC000072115714 556897957 /nfs/dbraw/zinc/89/79/57/556897957.db2.gz OLDZELMGUAXGHH-UHFFFAOYSA-N 0 0 435.532 3.340 50 0 IGAARN O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccc(F)cc1 ZINC000019789637 556914533 /nfs/dbraw/zinc/91/45/33/556914533.db2.gz KXFPKVNJAHUQOG-UHFFFAOYSA-N 0 0 445.494 3.075 50 0 aggregator IGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 ZINC000019819346 556922589 /nfs/dbraw/zinc/92/25/89/556922589.db2.gz PSFXNJAMHKHLIM-UHFFFAOYSA-N 0 0 436.493 3.044 50 0 IGAARN CSc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(SC)c3)CC2)c1 ZINC000019834749 556927705 /nfs/dbraw/zinc/92/77/05/556927705.db2.gz OFQIFDQZSHYOQQ-UHFFFAOYSA-N 0 0 444.626 3.325 50 0 IGAARN CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000019838697 556928678 /nfs/dbraw/zinc/92/86/78/556928678.db2.gz LFZDYEXRZVNUGD-UHFFFAOYSA-N 0 0 429.590 3.080 50 0 IGAARN CCOc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)ccc1OC ZINC000019889642 556938907 /nfs/dbraw/zinc/93/89/07/556938907.db2.gz GINPDTDNPNRNSC-UHFFFAOYSA-N 0 0 430.545 3.438 50 0 IGAARN COc1ccc(/C=c2\sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)cc1OC ZINC000019928827 556946652 /nfs/dbraw/zinc/94/66/52/556946652.db2.gz BYKJBQXWUHKKJJ-NDENLUEZSA-N 0 0 437.521 3.418 50 0 IGAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4cccc(OC)c4)CC3)c2)C1 ZINC000033264491 556973987 /nfs/dbraw/zinc/97/39/87/556973987.db2.gz KSKOUNHDHZAXOH-OAQYLSRUSA-N 0 0 436.556 3.176 50 0 IGAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4ccccc4OC)CC3)c2)C1 ZINC000033264458 556973996 /nfs/dbraw/zinc/97/39/96/556973996.db2.gz PVDTTZBHCMYOMR-NRFANRHFSA-N 0 0 436.556 3.176 50 0 IGAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000097001964 556978502 /nfs/dbraw/zinc/97/85/02/556978502.db2.gz GUQMCEBTQXYCSL-HNNXBMFYSA-N 0 0 435.937 3.222 50 0 IGAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)NCc1ccccc1F ZINC000033268478 556984116 /nfs/dbraw/zinc/98/41/16/556984116.db2.gz ANCHVXDNQSASJP-UHFFFAOYSA-N 0 0 437.880 3.085 50 0 IGAARN CCn1c2ncccc2nc1[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000097097336 556984527 /nfs/dbraw/zinc/98/45/27/556984527.db2.gz LRWLYRAHYSHGOG-ZDUSSCGKSA-N 0 0 435.347 3.392 50 0 IGAARN CCn1c2ncccc2nc1[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000097097333 556984671 /nfs/dbraw/zinc/98/46/71/556984671.db2.gz LRWLYRAHYSHGOG-CYBMUJFWSA-N 0 0 435.347 3.392 50 0 IGAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1C ZINC000023038983 556985358 /nfs/dbraw/zinc/98/53/58/556985358.db2.gz YWLSDURYFGHHNI-NRFANRHFSA-N 0 0 429.498 3.029 50 0 IGAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(CC(C)C)CC(C)C ZINC000023044148 556986393 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O=C(Cn1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1=O)NC1CCCC1 ZINC000023126335 557007899 /nfs/dbraw/zinc/00/78/99/557007899.db2.gz KHGWFMDRSKTHLT-UHFFFAOYSA-N 0 0 443.301 3.387 50 0 IGAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c(=O)n(-c3ccccc3)c2n1 ZINC000020353557 557009514 /nfs/dbraw/zinc/00/95/14/557009514.db2.gz JAQCZMYHLFHXFI-UHFFFAOYSA-N 0 0 436.418 3.081 50 0 IGAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134219 557017028 /nfs/dbraw/zinc/01/70/28/557017028.db2.gz BTFSZMUDCQFQPM-UHFFFAOYSA-N 0 0 438.535 3.216 50 0 IGAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)N3CCC4(CC3)OCCO4)cc(C)c12 ZINC000045991859 557017293 /nfs/dbraw/zinc/01/72/93/557017293.db2.gz AFCSZUZFXIHBNR-GOSISDBHSA-N 0 0 436.512 3.170 50 0 IGAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023135493 557018657 /nfs/dbraw/zinc/01/86/57/557018657.db2.gz WRJYYZHKEBCLEJ-UHFFFAOYSA-N 0 0 435.499 3.061 50 0 IGAARN COC(=O)c1cc(C2CC2)nc2c1c(-c1ccc(F)cc1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000023136715 557019066 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COC(=O)c1ccc(CN2C(=O)N(c3ccc(C)cc3)c3ncccc3S2(=O)=O)o1 ZINC000049420919 557107176 /nfs/dbraw/zinc/10/71/76/557107176.db2.gz MFLLJYHPZCRTJZ-UHFFFAOYSA-N 0 0 427.438 3.232 50 0 IGAARN Cc1nc(-c2cccc(C(=O)N3CCN(Cc4noc(-c5ccc(F)cc5)n4)CC3)c2)no1 ZINC000033327660 557110288 /nfs/dbraw/zinc/11/02/88/557110288.db2.gz YTKMWAILLQLSPS-UHFFFAOYSA-N 0 0 448.458 3.192 50 0 IGAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000049550872 557113261 /nfs/dbraw/zinc/11/32/61/557113261.db2.gz OZVFRRONRVFJMX-OAHLLOKOSA-N 0 0 426.473 3.243 50 0 IGAARN COc1ccc(OCCN2CCN(C(=O)c3ccc(OC(F)F)c(OC)c3)CC2)cc1 ZINC000023763187 557114956 /nfs/dbraw/zinc/11/49/56/557114956.db2.gz UJRNCJRRODDDSH-UHFFFAOYSA-N 0 0 436.455 3.142 50 0 IGAARN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000049590380 557117228 /nfs/dbraw/zinc/11/72/28/557117228.db2.gz VUBNOCVXHCMUFY-KRWDZBQOSA-N 0 0 445.441 3.043 50 0 IGAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000023805735 557117415 /nfs/dbraw/zinc/11/74/15/557117415.db2.gz LPCAQJGFXQVGHF-UHFFFAOYSA-N 0 0 436.434 3.022 50 0 IGAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000049693997 557118041 /nfs/dbraw/zinc/11/80/41/557118041.db2.gz KDWGLWKMDVHHQT-KSEUIEODSA-N 0 0 446.573 3.172 50 0 IGAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023844443 557119540 /nfs/dbraw/zinc/11/95/40/557119540.db2.gz RWZARKOGYBVLSD-UHFFFAOYSA-N 0 0 444.560 3.232 50 0 IGAARN COc1ccc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000023844344 557119697 /nfs/dbraw/zinc/11/96/97/557119697.db2.gz HBTHGJDJTDZNFA-UHFFFAOYSA-N 0 0 432.439 3.360 50 0 IGAARN CC[C@@H](SC1=N/C(=C\c2cccnc2)C(=O)N1c1ccccc1)C(=O)N1CCOCC1 ZINC000004789650 557120306 /nfs/dbraw/zinc/12/03/06/557120306.db2.gz GLJBJWFHZXDJJU-RMWKRFJVSA-N 0 0 436.537 3.196 50 0 IGAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000023862305 557120980 /nfs/dbraw/zinc/12/09/80/557120980.db2.gz PFRVHPWALVDVBF-OAHLLOKOSA-N 0 0 431.510 3.249 50 0 IGAARN Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000023882557 557123381 /nfs/dbraw/zinc/12/33/81/557123381.db2.gz DRZNTWPFBKFNPH-NRFANRHFSA-N 0 0 446.551 3.345 50 0 IGAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C3CCCC3)c2c1C ZINC000023967631 557128088 /nfs/dbraw/zinc/12/80/88/557128088.db2.gz SCSYGXZKLNWKMB-UHFFFAOYSA-N 0 0 431.591 3.393 50 0 IGAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000017917404 557128664 /nfs/dbraw/zinc/12/86/64/557128664.db2.gz IONQOGZKSMJINX-NSHDSACASA-N 0 0 426.325 3.079 50 0 IGAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000023994682 557130600 /nfs/dbraw/zinc/13/06/00/557130600.db2.gz BQYFTYXZACSSNG-FQEVSTJZSA-N 0 0 427.932 3.270 50 0 IGAARN COc1ccc([C@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c2nccn2C)cc1 ZINC000024025445 557132383 /nfs/dbraw/zinc/13/23/83/557132383.db2.gz ZPLFVJFJNQPPCV-QUCCMNQESA-N 0 0 441.919 3.087 50 0 IGAARN CC(=O)Nc1ccc(OC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 ZINC000024753061 557133522 /nfs/dbraw/zinc/13/35/22/557133522.db2.gz YWASWLRAEDRXSL-UHFFFAOYSA-N 0 0 444.534 3.447 50 0 IGAARN COc1cccc([C@@H](Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2nccn2C)c1 ZINC000024055290 557134465 /nfs/dbraw/zinc/13/44/65/557134465.db2.gz SSCYGIVTNXYRER-LJQANCHMSA-N 0 0 434.548 3.016 50 0 IGAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)n1 ZINC000024364651 557145435 /nfs/dbraw/zinc/14/54/35/557145435.db2.gz HPRXUBBBFVGWOI-NSHDSACASA-N 0 0 430.349 3.006 50 0 IGAARN CNC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCC2 ZINC000009599751 557148136 /nfs/dbraw/zinc/14/81/36/557148136.db2.gz QKSPUMKPEKGNLQ-UHFFFAOYSA-N 0 0 426.279 3.453 50 0 IGAARN C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000024507930 557149470 /nfs/dbraw/zinc/14/94/70/557149470.db2.gz ZJRNPVOABDDMCB-IIBYNOLFSA-N 0 0 437.496 3.337 50 0 IGAARN CCOc1ccc(CCNC(=O)Cn2nnc(-c3ccc(SC)cc3)n2)cc1OCC ZINC000000720104 557152423 /nfs/dbraw/zinc/15/24/23/557152423.db2.gz QXCYAFMSOWHQTO-UHFFFAOYSA-N 0 0 441.557 3.218 50 0 IGAARN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606687 557153384 /nfs/dbraw/zinc/15/33/84/557153384.db2.gz XALRKNIPPAIXQN-INIZCTEOSA-N 0 0 449.598 3.270 50 0 IGAARN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1 ZINC000024608436 557153903 /nfs/dbraw/zinc/15/39/03/557153903.db2.gz UJBCCWGMKVCCEY-UHFFFAOYSA-N 0 0 432.973 3.467 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c(C)c1 ZINC000043957294 557154120 /nfs/dbraw/zinc/15/41/20/557154120.db2.gz NQNMMCSMGJWFFV-UHFFFAOYSA-N 0 0 445.541 3.143 50 0 IGAARN CCc1ccccc1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000095400487 557157185 /nfs/dbraw/zinc/15/71/85/557157185.db2.gz MZDQVIMYJVVNBL-SFHVURJKSA-N 0 0 426.494 3.039 50 0 IGAARN COc1ccc([C@H](NC(=O)CCCn2cnc3c(C)cccc3c2=O)c2nccn2C)cc1 ZINC000010960050 557158781 /nfs/dbraw/zinc/15/87/81/557158781.db2.gz IFOHECUMUZLDRO-QHCPKHFHSA-N 0 0 445.523 3.133 50 0 IGAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)c(C)c1 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CC[C@H](C)[C@@H]1NC2(CCN(C(=O)c3ccccc3Cl)CC2)N(C[C@H]2CCCO2)C1=O ZINC000245327954 557172898 /nfs/dbraw/zinc/17/28/98/557172898.db2.gz MBBPRXKCOICGRG-QKLQHJQFSA-N 0 0 433.980 3.298 50 0 IGAARN C[C@H]1Oc2ccccc2N(CCC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)C1=O ZINC000024863767 557173000 /nfs/dbraw/zinc/17/30/00/557173000.db2.gz WWCACFJFGIQASK-CQSZACIVSA-N 0 0 449.488 3.157 50 0 IGAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)c1ccc(F)cc1 ZINC000024847244 557174234 /nfs/dbraw/zinc/17/42/34/557174234.db2.gz GGZBEKRUZTUKCR-CXAGYDPISA-N 0 0 425.412 3.029 50 0 IGAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc2c(c1)OCCCO2 ZINC000024859717 557174539 /nfs/dbraw/zinc/17/45/39/557174539.db2.gz IMASKJFZFWHOSW-UHFFFAOYSA-N 0 0 430.526 3.034 50 0 IGAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)n(C)c21 ZINC000100820345 557183117 /nfs/dbraw/zinc/18/31/17/557183117.db2.gz YEHQFLGCEQYVHR-DQRAZIAOSA-N 0 0 447.582 3.410 50 0 IGAARN O=C(CN1CCN(c2ncccn2)CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000024968466 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O=C(NCc1cccc(C(F)(F)F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025062918 557193558 /nfs/dbraw/zinc/19/35/58/557193558.db2.gz HYUSRAHVEVZWMQ-UHFFFAOYSA-N 0 0 447.504 3.419 50 0 IGAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100872424 557193791 /nfs/dbraw/zinc/19/37/91/557193791.db2.gz YORGYVZCLIDLCS-XDOYNYLZSA-N 0 0 427.507 3.487 50 0 IGAARN CCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C(C)C ZINC000096280153 557193959 /nfs/dbraw/zinc/19/39/59/557193959.db2.gz PMGHZVWSWHAYHL-UHFFFAOYSA-N 0 0 437.588 3.385 50 0 IGAARN CCOC(=O)C1=C(COC(=O)Cc2c[nH]c3ccccc23)NC(=O)N[C@@H]1c1ccccc1 ZINC000010974849 557197976 /nfs/dbraw/zinc/19/79/76/557197976.db2.gz BGQBHDYGNDSRTL-JOCHJYFZSA-N 0 0 433.464 3.125 50 0 IGAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000025170420 557198243 /nfs/dbraw/zinc/19/82/43/557198243.db2.gz DVKKHVJZPVXTOA-UHFFFAOYSA-N 0 0 447.582 3.398 50 0 IGAARN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000000794045 557200599 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COc1ccc(S(=O)(=O)NCCNC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000026191459 557237086 /nfs/dbraw/zinc/23/70/86/557237086.db2.gz ZWPBPVMGCSWUKE-UHFFFAOYSA-N 0 0 438.505 3.232 50 0 IGAARN CCOC(=O)C(=CNc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1F ZINC000100025981 557237612 /nfs/dbraw/zinc/23/76/12/557237612.db2.gz RKEBDILZLJFNRM-WOJGMQOQSA-N 0 0 427.425 3.272 50 0 IGAARN Cc1ccc(Oc2ccc(OCC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2)cc1 ZINC000026362704 557239713 /nfs/dbraw/zinc/23/97/13/557239713.db2.gz CBGPYCXBOKFCHW-HXUWFJFHSA-N 0 0 438.524 3.264 50 0 IGAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)CC1 ZINC000583649082 557240007 /nfs/dbraw/zinc/24/00/07/557240007.db2.gz VJJVNCSIMUZKCD-QHCPKHFHSA-N 0 0 434.540 3.060 50 0 IGAARN COc1ccccc1NC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 ZINC000583649478 557240337 /nfs/dbraw/zinc/24/03/37/557240337.db2.gz PAMFATHDHNIPQO-HNNXBMFYSA-N 0 0 439.447 3.055 50 0 IGAARN COc1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000583649028 557241821 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0 IGAARN CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000026916918 557251232 /nfs/dbraw/zinc/25/12/32/557251232.db2.gz XERZCOFWMGSJAU-OAQYLSRUSA-N 0 0 437.927 3.389 50 0 IGAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000026922798 557251364 /nfs/dbraw/zinc/25/13/64/557251364.db2.gz RVZWUQPVPCQVLS-UGKGYDQZSA-N 0 0 425.554 3.230 50 0 IGAARN CC(C)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)s1 ZINC000604419799 557251825 /nfs/dbraw/zinc/25/18/25/557251825.db2.gz YURKKXPXUWAZIL-FQEVSTJZSA-N 0 0 447.520 3.490 50 0 IGAARN Cc1cccc2c(=O)n(CC(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cnc12 ZINC000018216089 557252557 /nfs/dbraw/zinc/25/25/57/557252557.db2.gz KRNQGVHQEWCECX-UHFFFAOYSA-N 0 0 439.825 3.000 50 0 IGAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000813612 557255058 /nfs/dbraw/zinc/25/50/58/557255058.db2.gz QFOFHVZOWOTCMM-UHFFFAOYSA-N 0 0 436.445 3.075 50 0 IGAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000027062189 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CCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000008600226 562954989 /nfs/dbraw/zinc/95/49/89/562954989.db2.gz CUABINKOROGHFF-NRFANRHFSA-N 0 0 441.553 3.316 50 0 IGAARN COc1ccc(CC(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1OC ZINC000008600577 562955133 /nfs/dbraw/zinc/95/51/33/562955133.db2.gz OIGXTIDFSBVFNF-UHFFFAOYSA-N 0 0 434.471 3.495 50 0 IGAARN COc1cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccncc2)cc(OC)c1OC ZINC000008607185 562957227 /nfs/dbraw/zinc/95/72/27/562957227.db2.gz OORASJWAGCYFHF-UHFFFAOYSA-N 0 0 447.491 3.240 50 0 IGAARN CCOC(=O)CNC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1 ZINC000008609049 562957640 /nfs/dbraw/zinc/95/76/40/562957640.db2.gz OOHKAIXHBFLJIK-UHFFFAOYSA-N 0 0 442.491 3.041 50 0 IGAARN COc1cccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000008612137 562958996 /nfs/dbraw/zinc/95/89/96/562958996.db2.gz CXGNWLHACJYJJB-KRWDZBQOSA-N 0 0 437.945 3.252 50 0 IGAARN Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(F)cc4)CC2)[nH]c3=O)c1 ZINC000008612508 562959241 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COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1 ZINC000012947648 568871510 /nfs/dbraw/zinc/87/15/10/568871510.db2.gz WYQIZQWSAIGFEY-SFHVURJKSA-N 0 0 434.514 3.197 50 0 IGAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000016206768 568872605 /nfs/dbraw/zinc/87/26/05/568872605.db2.gz IVDYARHVXLYORV-UHFFFAOYSA-N 0 0 449.623 3.469 50 0 IGAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000026544720 568880237 /nfs/dbraw/zinc/88/02/37/568880237.db2.gz ZSXCFYWVJJXGIH-UHFFFAOYSA-N 0 0 442.459 3.251 50 0 IGAARN COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169617975 568883655 /nfs/dbraw/zinc/88/36/55/568883655.db2.gz SFARDHVRAWOLKM-YPAWHYETSA-N 0 0 444.462 3.020 50 0 IGAARN Cc1ccc(C)c(OCCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000009742217 568884279 /nfs/dbraw/zinc/88/42/79/568884279.db2.gz FEKRHOWJRCCHPB-GZTJUZNOSA-N 0 0 428.554 3.217 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)NC1 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O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010186795 569578473 /nfs/dbraw/zinc/57/84/73/569578473.db2.gz IPVFUDRCBWHDII-UHFFFAOYSA-N 0 0 434.568 3.306 50 0 IGAARN COc1cccc(-n2c3nc(-c4ccc(Cl)c(Cl)c4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187999 569578763 /nfs/dbraw/zinc/57/87/63/569578763.db2.gz MKHDZSWKZQPUAA-UHFFFAOYSA-N 0 0 430.251 3.190 50 0 IGAARN CCOC(=O)c1sc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1C ZINC000010226203 569579305 /nfs/dbraw/zinc/57/93/05/569579305.db2.gz BOYBJCBSSNGGFL-UHFFFAOYSA-N 0 0 443.569 3.200 50 0 IGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)n1 ZINC000010267904 569580012 /nfs/dbraw/zinc/58/00/12/569580012.db2.gz OXQSZAXAGAZHRT-JOCHJYFZSA-N 0 0 448.508 3.178 50 0 IGAARN Cc1cn2c3c(nc2n1-c1cc(C)ccc1C)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000010271841 569580058 /nfs/dbraw/zinc/58/00/58/569580058.db2.gz MHUUXZJCGNUGIC-UHFFFAOYSA-N 0 0 431.471 3.251 50 0 IGAARN Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1-c1cc(C)ccc1C ZINC000010271842 569580077 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C[C@@H](OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000016061555 525887461 /nfs/dbraw/zinc/88/74/61/525887461.db2.gz YWYXXZIEVWCQIQ-GFCCVEGCSA-N 0 0 442.821 3.337 50 0 IGAARN C[C@@H](OC(=O)CSc1nc2ccccc2o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012805614 525888846 /nfs/dbraw/zinc/88/88/46/525888846.db2.gz XXFFALOBIVOGJT-QGZVFWFLSA-N 0 0 439.537 3.196 50 0 IGAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O ZINC000013128474 525890928 /nfs/dbraw/zinc/89/09/28/525890928.db2.gz FNTVRJVSRXAPEG-VWLOTQADSA-N 0 0 433.508 3.362 50 0 IGAARN C[C@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)NC1CCCCC1 ZINC000012878315 525892085 /nfs/dbraw/zinc/89/20/85/525892085.db2.gz JJLWLNOFNCUDFU-INIZCTEOSA-N 0 0 434.492 3.477 50 0 IGAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O ZINC000022788713 525893706 /nfs/dbraw/zinc/89/37/06/525893706.db2.gz SFUCZXCEBOFEBF-DEOSSOPVSA-N 0 0 434.565 3.444 50 0 IGAARN C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)C(=O)NC1CCCCC1 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COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000013773764 556306260 /nfs/dbraw/zinc/30/62/60/556306260.db2.gz GRMUCPOUSJVOQT-IUYQLWOBSA-N 0 0 430.938 3.123 50 0 IGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1OC ZINC000032738366 556308300 /nfs/dbraw/zinc/30/83/00/556308300.db2.gz MVRSCKZJMVEHSI-AWEZNQCLSA-N 0 0 430.530 3.093 50 0 IGAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000009845887 556313050 /nfs/dbraw/zinc/31/30/50/556313050.db2.gz XJSYBISNNRDMDV-UHFFFAOYSA-N 0 0 447.919 3.381 50 0 IGAARN COc1ccc([C@H](C)NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1F ZINC000032745008 556314437 /nfs/dbraw/zinc/31/44/37/556314437.db2.gz WLKCLNOVYDEETH-UGSOOPFHSA-N 0 0 430.501 3.429 50 0 IGAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(F)ccc3C)C2)cc1 ZINC000065059272 556317325 /nfs/dbraw/zinc/31/73/25/556317325.db2.gz ZZUZCGQVKOZBLI-JOCHJYFZSA-N 0 0 434.533 3.250 50 0 IGAARN COCCCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000009934893 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Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026539638 557244221 /nfs/dbraw/zinc/24/42/21/557244221.db2.gz BCOYQWYGMNSCAL-UHFFFAOYSA-N 0 0 436.487 3.315 50 0 IGAARN COc1cc(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1OCc1ccccc1 ZINC000018161005 557244310 /nfs/dbraw/zinc/24/43/10/557244310.db2.gz AKKWLMWOXKEPDZ-NHCUHLMSSA-N 0 0 448.519 3.232 50 0 IGAARN CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nnc1N1CCOCC1 ZINC000026664337 557246185 /nfs/dbraw/zinc/24/61/85/557246185.db2.gz WUURJWLDTPBXER-FXAWDEMLSA-N 0 0 443.617 3.445 50 0 IGAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC3CCCCC3)[C@H]21 ZINC000604418697 557250877 /nfs/dbraw/zinc/25/08/77/557250877.db2.gz KCKFZPSWCYFEFI-QHCPKHFHSA-N 0 0 449.507 3.268 50 0 IGAARN CC(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000604419309 557251600 /nfs/dbraw/zinc/25/16/00/557251600.db2.gz PBIQZMUCBWTHNI-KXBFYZLASA-N 0 0 433.512 3.010 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)CC1 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O=c1nc2nc(NCc3ccccc3C(F)(F)F)[nH]cc-2c(=O)n1-c1ccc(F)cc1 ZINC000102911218 557411850 /nfs/dbraw/zinc/41/18/50/557411850.db2.gz IWPXFJAMIHRGPA-UHFFFAOYSA-N 0 0 431.349 3.239 50 0 IGAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000102955700 557413561 /nfs/dbraw/zinc/41/35/61/557413561.db2.gz OEMKXIFLBUYKQA-SFTDATJTSA-N 0 0 447.491 3.227 50 0 IGAARN C[C@@H]1CCC[C@H](NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)[C@@H]1C ZINC000004956445 557415282 /nfs/dbraw/zinc/41/52/82/557415282.db2.gz FMNWYZWIZWPREK-WTCKFOIOSA-N 0 0 429.605 3.432 50 0 IGAARN CCNC(=O)CC1=CSC2=NC(CC)=C(C(=O)OC)[C@H](c3cccc(OC)c3OC)N12 ZINC000103175137 557425286 /nfs/dbraw/zinc/42/52/86/557425286.db2.gz FWDNLGOVRDQRRJ-IBGZPJMESA-N 0 0 445.541 3.368 50 0 IGAARN CC1(C)CC(=O)C2(OC3=C4C5=C(CC(C)(C)C[C@]5(O)O[C@@]4(O)CC(C)(C)C3)O2)C(=O)C1 ZINC000034463224 557426115 /nfs/dbraw/zinc/42/61/15/557426115.db2.gz QMPSNLKFRVKUPP-GOTSBHOMSA-N 0 0 432.513 3.243 50 0 IGAARN 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557497732 /nfs/dbraw/zinc/49/77/32/557497732.db2.gz JIPRTYXZCJAUIQ-UHFFFAOYSA-N 0 0 437.525 3.155 50 0 IGAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c2ccccc2nc1S(C)(=O)=O ZINC000018380948 557500102 /nfs/dbraw/zinc/50/01/02/557500102.db2.gz LDXBFAVXCZPJCQ-UHFFFAOYSA-N 0 0 426.325 3.405 50 0 IGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)n(C)c1 ZINC000018396812 557512164 /nfs/dbraw/zinc/51/21/64/557512164.db2.gz JTTFYROKTDAIDT-HNNXBMFYSA-N 0 0 445.541 3.274 50 0 IGAARN CCOc1ccc(Cn2c(CNS(=O)(=O)c3ccc(F)cc3)nc3cccnc32)cc1 ZINC000047146458 557517749 /nfs/dbraw/zinc/51/77/49/557517749.db2.gz RRHQKKBCXQAIES-UHFFFAOYSA-N 0 0 440.500 3.496 50 0 IGAARN CNC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CC[C@@H](C)C2 ZINC000012064267 557526170 /nfs/dbraw/zinc/52/61/70/557526170.db2.gz UFIVJSFAVQSCII-GFCCVEGCSA-N 0 0 425.510 3.138 50 0 IGAARN CCn1ccnc1CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000106911460 557533464 /nfs/dbraw/zinc/53/34/64/557533464.db2.gz 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Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4Cl)c3=O)n2)cc1C ZINC000045970957 557558308 /nfs/dbraw/zinc/55/83/08/557558308.db2.gz QUUADJMSCBKPDF-UHFFFAOYSA-N 0 0 447.886 3.405 50 0 IGAARN Cc1cccc(Cn2nnc3c2ncn(Cc2nc(-c4ccc(C)c(C)c4)no2)c3=O)c1 ZINC000045971044 557558506 /nfs/dbraw/zinc/55/85/06/557558506.db2.gz VKPAWJLSBGOKJX-UHFFFAOYSA-N 0 0 427.468 3.060 50 0 IGAARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1ccccc1 ZINC000039327596 557647573 /nfs/dbraw/zinc/64/75/73/557647573.db2.gz ZENRFZDTAOHQSD-MANSERQUSA-N 0 0 439.393 3.302 50 0 IGAARN COC(=O)Cn1cc([C@@H](C)OC(=O)Cc2csc3ccc(Br)cc23)nn1 ZINC000225399297 557718548 /nfs/dbraw/zinc/71/85/48/557718548.db2.gz KREICRXCZHVBDM-SNVBAGLBSA-N 0 0 438.303 3.275 50 0 IGAARN C[C@H]1CN(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000225500320 557730953 /nfs/dbraw/zinc/73/09/53/557730953.db2.gz CFGHSBKHRVOWGI-STQMWFEESA-N 0 0 437.591 3.057 50 0 IGAARN O=C(NCCc1csc(=O)[nH]1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 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Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C(C)C)c1 ZINC000002617809 562928448 /nfs/dbraw/zinc/92/84/48/562928448.db2.gz LJQHBVMBOUGJFD-SFHVURJKSA-N 0 0 445.566 3.401 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000002658426 562929585 /nfs/dbraw/zinc/92/95/85/562929585.db2.gz SUYPOGZLVVILAR-MRXNPFEDSA-N 0 0 449.960 3.081 50 0 IGAARN COc1ccccc1NC(=O)N(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CCCC1 ZINC000002657928 562929586 /nfs/dbraw/zinc/92/95/86/562929586.db2.gz HMWUKMBYUJGGJX-UHFFFAOYSA-N 0 0 449.511 3.157 50 0 IGAARN CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1 ZINC000002925515 562930652 /nfs/dbraw/zinc/93/06/52/562930652.db2.gz MWOFHUFCMXPUKJ-UHFFFAOYSA-N 0 0 430.555 3.096 50 0 IGAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002938381 562930907 /nfs/dbraw/zinc/93/09/07/562930907.db2.gz QOYCMGCBHTZDAI-UHFFFAOYSA-N 0 0 444.553 3.125 50 0 IGAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003215951 562932938 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Nc1n[nH]c(CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccccc3)CCCCC2)n1 ZINC000008783344 569475877 /nfs/dbraw/zinc/47/58/77/569475877.db2.gz GYLQVSKKTSJCPL-UHFFFAOYSA-N 0 0 432.528 3.300 50 0 IGAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789640 569475957 /nfs/dbraw/zinc/47/59/57/569475957.db2.gz SOZNDALMAYKEFU-GKVSMKOHSA-N 0 0 433.508 3.237 50 0 IGAARN CC1(C)CCc2c(cc(OCC(=O)NCc3ccccn3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008791546 569476250 /nfs/dbraw/zinc/47/62/50/569476250.db2.gz BDMONUIZZHIPFC-UHFFFAOYSA-N 0 0 434.492 3.476 50 0 IGAARN CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000008825573 569477410 /nfs/dbraw/zinc/47/74/10/569477410.db2.gz ZWQPPUIWAXCFHJ-CWRNSKLLSA-N 0 0 427.453 3.216 50 0 IGAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000008825621 569477429 /nfs/dbraw/zinc/47/74/29/569477429.db2.gz VSRMDJWULQNYHR-QGZVFWFLSA-N 0 0 449.529 3.232 50 0 IGAARN CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 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BKJYNIQZLPSXDE-UHFFFAOYSA-N 0 0 440.525 3.021 50 0 IGAARN Cc1nc(-c2ccc(CNC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)s2)cs1 ZINC000008882164 569482943 /nfs/dbraw/zinc/48/29/43/569482943.db2.gz MNWLECIDAPNGJR-FKIZINRSSA-N 0 0 432.571 3.297 50 0 IGAARN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000040051656 569484497 /nfs/dbraw/zinc/48/44/97/569484497.db2.gz BHFYFPZRHGJTRP-UHFFFAOYSA-N 0 0 446.598 3.475 50 0 IGAARN CC(C)c1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 ZINC000008910103 569484736 /nfs/dbraw/zinc/48/47/36/569484736.db2.gz IDEAGKROOLINMG-UHFFFAOYSA-N 0 0 425.510 3.442 50 0 IGAARN COc1cc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCCCC3)cc2)cc(OC)c1 ZINC000008912315 569484938 /nfs/dbraw/zinc/48/49/38/569484938.db2.gz GBMRSMOBDQJRCG-UHFFFAOYSA-N 0 0 449.507 3.155 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000040068015 569485068 /nfs/dbraw/zinc/48/50/68/569485068.db2.gz SZENZELJEWCYEY-UHFFFAOYSA-N 0 0 442.518 3.476 50 0 IGAARN COc1ccc(OCC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000040068535 569485133 /nfs/dbraw/zinc/48/51/33/569485133.db2.gz HEXLRXGQIOMWIO-SFHVURJKSA-N 0 0 436.512 3.338 50 0 IGAARN Cc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000040069330 569485348 /nfs/dbraw/zinc/48/53/48/569485348.db2.gz WXJZBEWFJLEYSM-QFIPXVFZSA-N 0 0 430.570 3.140 50 0 IGAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12c1ccccc1N(CC)C2=O ZINC000008916572 569485788 /nfs/dbraw/zinc/48/57/88/569485788.db2.gz DCHOBOYSDRGLST-RUZDIDTESA-N 0 0 432.476 3.286 50 0 IGAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(CC)C2=O ZINC000008916571 569485821 /nfs/dbraw/zinc/48/58/21/569485821.db2.gz DCHOBOYSDRGLST-VWLOTQADSA-N 0 0 432.476 3.286 50 0 IGAARN Cc1ccc(-c2nc(C)c(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)s2)o1 ZINC000040091136 569487427 /nfs/dbraw/zinc/48/74/27/569487427.db2.gz FGUGZCVCLLCMQX-UHFFFAOYSA-N 0 0 431.539 3.142 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccccc3)nc3ccccc32)C[C@@H](C)O1 ZINC000040091254 569487446 /nfs/dbraw/zinc/48/74/46/569487446.db2.gz SEAPQEPLXWHGHI-IAGOWNOFSA-N 0 0 426.542 3.148 50 0 IGAARN COc1ccc(C(=O)N[C@@]2(Cc3cc(OC)ccc3OC)N=C3C=CC(C)=CN3C2=O)cc1 ZINC000008931978 569487627 /nfs/dbraw/zinc/48/76/27/569487627.db2.gz GJZNADQHUKODNZ-RUZDIDTESA-N 0 0 447.491 3.096 50 0 IGAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCc1ccco1 ZINC000008933346 569487793 /nfs/dbraw/zinc/48/77/93/569487793.db2.gz IPEWYTCNZBKCRI-UHFFFAOYSA-N 0 0 430.439 3.448 50 0 IGAARN CCOCCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933493 569487807 /nfs/dbraw/zinc/48/78/07/569487807.db2.gz FURSAQKNLKDYFO-UHFFFAOYSA-N 0 0 436.487 3.081 50 0 IGAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)NCc2ccc(OC(F)F)cc2)c1C ZINC000040104124 569488099 /nfs/dbraw/zinc/48/80/99/569488099.db2.gz XFLQOJAFMJMZLI-UHFFFAOYSA-N 0 0 427.473 3.477 50 0 IGAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008938937 569488211 /nfs/dbraw/zinc/48/82/11/569488211.db2.gz DLBYSIWAHGORKO-UHFFFAOYSA-N 0 0 428.602 3.369 50 0 IGAARN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106129 569488364 /nfs/dbraw/zinc/48/83/64/569488364.db2.gz KLEWIAORGQQMCJ-RBSFLKMASA-N 0 0 429.966 3.309 50 0 IGAARN O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040107444 569488473 /nfs/dbraw/zinc/48/84/73/569488473.db2.gz KCEKDKMQYHWMPR-INIZCTEOSA-N 0 0 430.434 3.214 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)cc1 ZINC000008942495 569488710 /nfs/dbraw/zinc/48/87/10/569488710.db2.gz CLQIBLWGVFEMEZ-UHFFFAOYSA-N 0 0 446.912 3.436 50 0 IGAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000040112906 569488904 /nfs/dbraw/zinc/48/89/04/569488904.db2.gz FRXBGBZEVUMWAS-KDOFPFPSSA-N 0 0 426.900 3.476 50 0 IGAARN COc1cc(CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)ccc1OC1CCCC1 ZINC000040121353 569489602 /nfs/dbraw/zinc/48/96/02/569489602.db2.gz KUUUCWOUDKIZJP-FYSMJZIKSA-N 0 0 443.544 3.134 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)n1 ZINC000008954713 569490059 /nfs/dbraw/zinc/49/00/59/569490059.db2.gz FWTCSGAFFAXRRX-UHFFFAOYSA-N 0 0 441.538 3.484 50 0 IGAARN NC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964763 569491265 /nfs/dbraw/zinc/49/12/65/569491265.db2.gz JHMRNQMFEYXATJ-NBCVKUGOSA-N 0 0 435.483 3.145 50 0 IGAARN COc1cc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)ccc1OC[C@H]1CCCO1 ZINC000040142167 569491837 /nfs/dbraw/zinc/49/18/37/569491837.db2.gz AIADHSFGLZJHPG-MRXNPFEDSA-N 0 0 446.935 3.227 50 0 IGAARN COc1cc(CNC(=O)c2csc(-c3cnn(C)c3)n2)ccc1OC[C@H]1CCCO1 ZINC000040145274 569492085 /nfs/dbraw/zinc/49/20/85/569492085.db2.gz XRPNXKIVELFEJR-MRXNPFEDSA-N 0 0 428.514 3.040 50 0 IGAARN COc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1OC ZINC000040148910 569492398 /nfs/dbraw/zinc/49/23/98/569492398.db2.gz GKMJKFQOIPCWNC-ZDUSSCGKSA-N 0 0 433.892 3.252 50 0 IGAARN CCCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc1 ZINC000040153006 569493583 /nfs/dbraw/zinc/49/35/83/569493583.db2.gz LNRZEQCKKYUSQH-UHFFFAOYSA-N 0 0 441.572 3.179 50 0 IGAARN COCCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1C ZINC000040155209 569493890 /nfs/dbraw/zinc/49/38/90/569493890.db2.gz AUBPDFRZGGGITA-UHFFFAOYSA-N 0 0 445.497 3.370 50 0 IGAARN COc1cccc(C(N)=O)c1OCc1ccc(COc2c(OC)cccc2C(N)=O)cc1 ZINC000040159378 569494732 /nfs/dbraw/zinc/49/47/32/569494732.db2.gz WCKYZTFIRRFESO-UHFFFAOYSA-N 0 0 436.464 3.060 50 0 IGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3cccs3)c12 ZINC000008985924 569494819 /nfs/dbraw/zinc/49/48/19/569494819.db2.gz YWLBHRPYOORGAP-OAHLLOKOSA-N 0 0 444.582 3.310 50 0 IGAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000008986967 569494891 /nfs/dbraw/zinc/49/48/91/569494891.db2.gz DZNLVJJBDONWLY-UHFFFAOYSA-N 0 0 426.922 3.395 50 0 IGAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 ZINC000008990446 569494997 /nfs/dbraw/zinc/49/49/97/569494997.db2.gz ZZFYHPXHYFJYQR-UHFFFAOYSA-N 0 0 426.469 3.308 50 0 IGAARN CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000008991900 569495301 /nfs/dbraw/zinc/49/53/01/569495301.db2.gz HSWIHJIPSNXNMU-UHFFFAOYSA-N 0 0 426.904 3.257 50 0 IGAARN CCc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)s1 ZINC000009005314 569496113 /nfs/dbraw/zinc/49/61/13/569496113.db2.gz NMOSRZLUDIYGHJ-GOSISDBHSA-N 0 0 436.580 3.199 50 0 IGAARN COc1ccc(C(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1OC ZINC000009005122 569496146 /nfs/dbraw/zinc/49/61/46/569496146.db2.gz GLJGITVIGSLUGN-GOSISDBHSA-N 0 0 432.523 3.105 50 0 IGAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)c1 ZINC000009010494 569496434 /nfs/dbraw/zinc/49/64/34/569496434.db2.gz KAGIAVLBJHHVCY-GRSHGNNSSA-N 0 0 448.504 3.110 50 0 IGAARN CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2cccc(Cl)c2)cc1 ZINC000009015192 569496679 /nfs/dbraw/zinc/49/66/79/569496679.db2.gz VUQNNDXTZGDOKW-UHFFFAOYSA-N 0 0 449.898 3.395 50 0 IGAARN O=C(c1ccc(OC[C@@H]2CCCO2)nc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245130890 569497605 /nfs/dbraw/zinc/49/76/05/569497605.db2.gz VCVPGQHDMYFEIT-KRWDZBQOSA-N 0 0 436.434 3.016 50 0 IGAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)C1=O ZINC000009054252 569498867 /nfs/dbraw/zinc/49/88/67/569498867.db2.gz FGQSJZAOYUYBEB-VWLOTQADSA-N 0 0 443.507 3.338 50 0 IGAARN Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCN4CCOCC4)c(=N)c32)cc1 ZINC000009058865 569499303 /nfs/dbraw/zinc/49/93/03/569499303.db2.gz HMQGAMOITKOUGI-QFIPXVFZSA-N 0 0 432.524 3.385 50 0 IGAARN NC(=O)C1CCN(C(=O)[C@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)CC1 ZINC000009073539 569500145 /nfs/dbraw/zinc/50/01/45/569500145.db2.gz OMORAVGBYGBQHW-HNNXBMFYSA-N 0 0 446.960 3.193 50 0 IGAARN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000009090271 569501010 /nfs/dbraw/zinc/50/10/10/569501010.db2.gz ZJCIIIQUKIMSSI-JOCHJYFZSA-N 0 0 440.496 3.434 50 0 IGAARN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009094849 569501253 /nfs/dbraw/zinc/50/12/53/569501253.db2.gz WHYUICBBRMJDSK-HSZRJFAPSA-N 0 0 438.549 3.210 50 0 IGAARN O=C(CN1CCCCC1)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000009095051 569501282 /nfs/dbraw/zinc/50/12/82/569501282.db2.gz VGJXGDXEELAFIA-QHCPKHFHSA-N 0 0 427.570 3.094 50 0 IGAARN O=S(=O)(CCc1ccccc1)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000009106913 569501843 /nfs/dbraw/zinc/50/18/43/569501843.db2.gz UXDONFVDLRBATH-IBGZPJMESA-N 0 0 435.592 3.425 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245287317 569502253 /nfs/dbraw/zinc/50/22/53/569502253.db2.gz BXIUDNJIXVLVEZ-CDHQVMDDSA-N 0 0 443.594 3.118 50 0 IGAARN CCOCCCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1-c1ccncc1 ZINC000009112437 569502391 /nfs/dbraw/zinc/50/23/91/569502391.db2.gz KHEMUHQCLSRWMA-UHFFFAOYSA-N 0 0 442.570 3.437 50 0 IGAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c(=O)n(-c2ccccc2)n1C ZINC000009119564 569503573 /nfs/dbraw/zinc/50/35/73/569503573.db2.gz KZTFAXIKCPVYMH-AWEZNQCLSA-N 0 0 425.510 3.219 50 0 IGAARN CN1OC[C@H](S(=O)(=O)NCc2cccnc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000245327538 569503769 /nfs/dbraw/zinc/50/37/69/569503769.db2.gz KANYXQAGRQVMFE-XZOQPEGZSA-N 0 0 439.537 3.067 50 0 IGAARN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000009124867 569504419 /nfs/dbraw/zinc/50/44/19/569504419.db2.gz RIPHZDICGZSQCC-OAHLLOKOSA-N 0 0 425.510 3.390 50 0 IGAARN Cc1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1Cc1ccccc1 ZINC000009126905 569505035 /nfs/dbraw/zinc/50/50/35/569505035.db2.gz UORNOEOXADLUEL-AWEZNQCLSA-N 0 0 430.555 3.370 50 0 IGAARN Cc1nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n(C2CCCCC2)c1C ZINC000009126770 569505040 /nfs/dbraw/zinc/50/50/40/569505040.db2.gz YDYRAYDUGGTGSK-UHFFFAOYSA-N 0 0 433.578 3.383 50 0 IGAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCC(=O)N1CCc2ccccc21 ZINC000009127654 569505201 /nfs/dbraw/zinc/50/52/01/569505201.db2.gz PYCWCXOEZLNTOC-UHFFFAOYSA-N 0 0 442.471 3.349 50 0 IGAARN Cc1ccccc1Cn1nnc2c1ncn(CC(=O)Nc1ccccc1C(F)(F)F)c2=O ZINC000040477186 569506654 /nfs/dbraw/zinc/50/66/54/569506654.db2.gz UJZRWXPJYBIQOD-UHFFFAOYSA-N 0 0 442.401 3.002 50 0 IGAARN COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CC(C)C)c2=O)cc1Cl ZINC000040478601 569506803 /nfs/dbraw/zinc/50/68/03/569506803.db2.gz QRVUCEFXQBEYLW-UHFFFAOYSA-N 0 0 445.903 3.129 50 0 IGAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2c(s1)CCC2 ZINC000009139336 569507216 /nfs/dbraw/zinc/50/72/16/569507216.db2.gz OOHILLRGCADWBQ-UHFFFAOYSA-N 0 0 426.947 3.163 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)C1 ZINC000009139370 569507224 /nfs/dbraw/zinc/50/72/24/569507224.db2.gz HHLGYFPEFLCUSF-INIZCTEOSA-N 0 0 448.516 3.350 50 0 IGAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000069561525 569507282 /nfs/dbraw/zinc/50/72/82/569507282.db2.gz RMZLUMDNWSHVST-HSZRJFAPSA-N 0 0 438.528 3.499 50 0 IGAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)Nc1ccc(F)cc1Cl)OCC(=O)N2 ZINC000009151828 569507650 /nfs/dbraw/zinc/50/76/50/569507650.db2.gz DRIKLNMQDHTLQL-NSHDSACASA-N 0 0 440.880 3.309 50 0 IGAARN CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)cc1 ZINC000009152067 569507676 /nfs/dbraw/zinc/50/76/76/569507676.db2.gz WJKNMNXNTWWHMG-UHFFFAOYSA-N 0 0 428.539 3.185 50 0 IGAARN Cn1cc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O ZINC000009151946 569507699 /nfs/dbraw/zinc/50/76/99/569507699.db2.gz WLYIZQZAWIQHLO-UHFFFAOYSA-N 0 0 440.525 3.357 50 0 IGAARN Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)ncc1S(=O)(=O)c1ccccc1 ZINC000009152082 569507773 /nfs/dbraw/zinc/50/77/73/569507773.db2.gz YWOCTBPGUIUTTA-UHFFFAOYSA-N 0 0 434.930 3.276 50 0 IGAARN CCOc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000009152667 569507843 /nfs/dbraw/zinc/50/78/43/569507843.db2.gz DRQHMVAVCQLMPV-CYBMUJFWSA-N 0 0 434.539 3.321 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1OC ZINC000069581448 569507952 /nfs/dbraw/zinc/50/79/52/569507952.db2.gz KTMKQWMLYSRUQT-UHFFFAOYSA-N 0 0 427.526 3.071 50 0 IGAARN Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)nn1-c1ccc(Cl)cc1 ZINC000009155815 569508322 /nfs/dbraw/zinc/50/83/22/569508322.db2.gz BXAABDLIIGGIHZ-OAHLLOKOSA-N 0 0 434.887 3.266 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCS[C@@H]2c2ccccc2F)c1C ZINC000009156149 569508361 /nfs/dbraw/zinc/50/83/61/569508361.db2.gz VKPANXRQJOVTIB-LJQANCHMSA-N 0 0 434.489 3.378 50 0 IGAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCN4CCOCC4)c(=N)c32)cc1 ZINC000009157996 569508499 /nfs/dbraw/zinc/50/84/99/569508499.db2.gz LYABCRDHXAKEHS-QFIPXVFZSA-N 0 0 448.523 3.085 50 0 IGAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1Cl ZINC000009168364 569509191 /nfs/dbraw/zinc/50/91/91/569509191.db2.gz OMISNEOGAZAKPN-UHFFFAOYSA-N 0 0 427.823 3.022 50 0 IGAARN Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009168504 569509192 /nfs/dbraw/zinc/50/91/92/569509192.db2.gz BRWBWQNTPCQFPF-KRWDZBQOSA-N 0 0 426.460 3.483 50 0 IGAARN C[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 ZINC000009184294 569509922 /nfs/dbraw/zinc/50/99/22/569509922.db2.gz VQLBABBAWOPCKC-NSHDSACASA-N 0 0 439.465 3.196 50 0 IGAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C(C)C)cc2)c1 ZINC000009192994 569510842 /nfs/dbraw/zinc/51/08/42/569510842.db2.gz CVYJLQDPDANADL-UHFFFAOYSA-N 0 0 443.507 3.475 50 0 IGAARN COc1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000009193583 569510859 /nfs/dbraw/zinc/51/08/59/569510859.db2.gz VMHDHDQTRUMZLS-RUZDIDTESA-N 0 0 429.476 3.324 50 0 IGAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)n1 ZINC000009209218 569511506 /nfs/dbraw/zinc/51/15/06/569511506.db2.gz VGEGDKLSNOJRAL-OAHLLOKOSA-N 0 0 435.484 3.473 50 0 IGAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3cccnc3)c2)c(O)c1 ZINC000009209327 569511584 /nfs/dbraw/zinc/51/15/84/569511584.db2.gz PKVNWDGECMVVDJ-UHFFFAOYSA-N 0 0 431.901 3.480 50 0 IGAARN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009211478 569511800 /nfs/dbraw/zinc/51/18/00/569511800.db2.gz LFOWUYYPYLWXQX-UHFFFAOYSA-N 0 0 441.896 3.375 50 0 IGAARN Cc1c(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)c(=O)n(-c2ccccc2)n1C ZINC000009216284 569512126 /nfs/dbraw/zinc/51/21/26/569512126.db2.gz ZVZOACJVCHTWHQ-UHFFFAOYSA-N 0 0 433.464 3.225 50 0 IGAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@@H]1C ZINC000009217467 569512306 /nfs/dbraw/zinc/51/23/06/569512306.db2.gz DEBIPKUBTHWCLN-CVEARBPZSA-N 0 0 432.517 3.247 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)NCc2ccc(Cl)cc2)c1N ZINC000009226850 569513274 /nfs/dbraw/zinc/51/32/74/569513274.db2.gz ZUTGFSJQAOZACN-UHFFFAOYSA-N 0 0 433.299 3.044 50 0 IGAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(OC)cc2)cc1 ZINC000009239001 569514400 /nfs/dbraw/zinc/51/44/00/569514400.db2.gz GMAGBCDCMBFPDY-WOJBJXKFSA-N 0 0 439.541 3.069 50 0 IGAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1CCCO ZINC000009243312 569514875 /nfs/dbraw/zinc/51/48/75/569514875.db2.gz QSPCTKBPJSSSBT-IBGZPJMESA-N 0 0 428.286 3.472 50 0 IGAARN COc1ccc2c(CCNC(=O)CSc3nnnn3-c3ccc(C)cc3C)c[nH]c2c1 ZINC000009252698 569516009 /nfs/dbraw/zinc/51/60/09/569516009.db2.gz OKAJOAYOTMDFST-UHFFFAOYSA-N 0 0 436.541 3.220 50 0 IGAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000009253500 569516206 /nfs/dbraw/zinc/51/62/06/569516206.db2.gz TWEJXOUSYDIZRK-ODLFYWEKSA-N 0 0 433.489 3.223 50 0 IGAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NCCc1cccs1 ZINC000009256105 569516708 /nfs/dbraw/zinc/51/67/08/569516708.db2.gz PZCAFBRLGZLLNL-DEOSSOPVSA-N 0 0 433.533 3.097 50 0 IGAARN Nc1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)nc(Nc2ccc(F)cc2)n1 ZINC000009257827 569516860 /nfs/dbraw/zinc/51/68/60/569516860.db2.gz YMCUEXLWILKXTO-LBPRGKRZSA-N 0 0 434.526 3.071 50 0 IGAARN CCCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1C ZINC000009260388 569516951 /nfs/dbraw/zinc/51/69/51/569516951.db2.gz ZAPXKFCXJIKCBB-HXUWFJFHSA-N 0 0 435.571 3.257 50 0 IGAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 ZINC000009261818 569516986 /nfs/dbraw/zinc/51/69/86/569516986.db2.gz TYRHXHJEKJBVBD-UHFFFAOYSA-N 0 0 439.541 3.353 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)C(=O)Nc1nccs1 ZINC000009263414 569517156 /nfs/dbraw/zinc/51/71/56/569517156.db2.gz ZHHSJFVIAVSAAU-ZDUSSCGKSA-N 0 0 430.559 3.112 50 0 IGAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1nccs1 ZINC000009263491 569517170 /nfs/dbraw/zinc/51/71/70/569517170.db2.gz YBKDWTTVUGLFJA-ZDUSSCGKSA-N 0 0 430.559 3.363 50 0 IGAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cccc2ccccc21 ZINC000009278118 569518501 /nfs/dbraw/zinc/51/85/01/569518501.db2.gz KFONBLGYHLEKEV-UHFFFAOYSA-N 0 0 444.882 3.482 50 0 IGAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000009281005 569518534 /nfs/dbraw/zinc/51/85/34/569518534.db2.gz NFZLVMZFCAHHET-NEPJUHHUSA-N 0 0 438.596 3.104 50 0 IGAARN CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1Cl ZINC000009284443 569519075 /nfs/dbraw/zinc/51/90/75/569519075.db2.gz DUTBCUFCCFBBEE-UHFFFAOYSA-N 0 0 447.896 3.200 50 0 IGAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)nc(C)n3n2)cc1 ZINC000009287402 569519307 /nfs/dbraw/zinc/51/93/07/569519307.db2.gz ZMNUOEJNMRNALB-UHFFFAOYSA-N 0 0 435.915 3.399 50 0 IGAARN COc1ccc2nc(COC(=O)c3ccccc3Br)c(C(C)=O)[n+]([O-])c2c1 ZINC000009292102 569519948 /nfs/dbraw/zinc/51/99/48/569519948.db2.gz YAFHGVXXJVMSKP-UHFFFAOYSA-N 0 0 431.242 3.199 50 0 IGAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccccc4)CC3)N=C2SC)cc1 ZINC000009300048 569520557 /nfs/dbraw/zinc/52/05/57/569520557.db2.gz HUJFTTJYJXXLIT-UHFFFAOYSA-N 0 0 429.567 3.440 50 0 IGAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009314810 569522086 /nfs/dbraw/zinc/52/20/86/569522086.db2.gz RYRKWTYNKSLPGS-LJQANCHMSA-N 0 0 449.598 3.316 50 0 IGAARN CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000009315723 569522172 /nfs/dbraw/zinc/52/21/72/569522172.db2.gz GCHJJHLKBQPCRZ-QGZVFWFLSA-N 0 0 437.265 3.337 50 0 IGAARN O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc2c(c1)OCO2 ZINC000009315858 569522211 /nfs/dbraw/zinc/52/22/11/569522211.db2.gz NPOZRDOABDUOES-MRXNPFEDSA-N 0 0 429.856 3.347 50 0 IGAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)n2)c(OC)c1 ZINC000009318290 569522412 /nfs/dbraw/zinc/52/24/12/569522412.db2.gz GFPUVMFOSWHUQK-ZDUSSCGKSA-N 0 0 425.441 3.292 50 0 IGAARN O=C(Nc1nc(-c2ccncc2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009327018 569522697 /nfs/dbraw/zinc/52/26/97/569522697.db2.gz YKJSHTSCAVJFSO-UHFFFAOYSA-N 0 0 434.568 3.306 50 0 IGAARN CCC(=O)N(c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1)C1CC1 ZINC000009336066 569523335 /nfs/dbraw/zinc/52/33/35/569523335.db2.gz SAYKUFPKVSYNMO-GFCCVEGCSA-N 0 0 448.570 3.184 50 0 IGAARN CCCn1c2ccccc2nc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009335989 569523367 /nfs/dbraw/zinc/52/33/67/569523367.db2.gz GODNTLWCCIIWLV-UHFFFAOYSA-N 0 0 426.542 3.486 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(CC)Cc2ccc(OC)c(F)c2)c1C ZINC000009337898 569523569 /nfs/dbraw/zinc/52/35/69/569523569.db2.gz UVNMVKGLOVZSII-UHFFFAOYSA-N 0 0 434.464 3.161 50 0 IGAARN NC(=O)c1nc(-c2cccc(Br)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 ZINC000009346530 569524269 /nfs/dbraw/zinc/52/42/69/569524269.db2.gz PDGFZPVAPXVMIA-UHFFFAOYSA-N 0 0 444.676 3.291 50 0 IGAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccco2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009347957 569524302 /nfs/dbraw/zinc/52/43/02/569524302.db2.gz PSTMUQRKHDCCEL-OAQYLSRUSA-N 0 0 435.480 3.162 50 0 IGAARN Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009363579 569525972 /nfs/dbraw/zinc/52/59/72/569525972.db2.gz XDTXOGFVBHUBSI-UHFFFAOYSA-N 0 0 445.430 3.197 50 0 IGAARN CCc1ccc(N2C(=O)C[C@@H](N(CCCc3ccc(OC)c(OC)c3)C(C)=O)C2=O)cc1 ZINC000009374724 569527242 /nfs/dbraw/zinc/52/72/42/569527242.db2.gz WBBLJHGIVZFBOB-OAQYLSRUSA-N 0 0 438.524 3.379 50 0 IGAARN COc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000009378228 569527579 /nfs/dbraw/zinc/52/75/79/569527579.db2.gz JTUISTJVZBDBLC-UHFFFAOYSA-N 0 0 428.539 3.261 50 0 IGAARN CCCn1c(CCC(=O)Nc2cccnc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009378153 569527583 /nfs/dbraw/zinc/52/75/83/569527583.db2.gz QDZQPOZBTWBSKY-UHFFFAOYSA-N 0 0 441.557 3.197 50 0 IGAARN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc21 ZINC000009387269 569528538 /nfs/dbraw/zinc/52/85/38/569528538.db2.gz UZLNNLKJKAYERL-UHFFFAOYSA-N 0 0 447.582 3.225 50 0 IGAARN CCOC(=O)c1sc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1C ZINC000009391409 569528925 /nfs/dbraw/zinc/52/89/25/569528925.db2.gz HCUCZVZSYGMPEJ-UHFFFAOYSA-N 0 0 429.479 3.078 50 0 IGAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)c1 ZINC000009405430 569529938 /nfs/dbraw/zinc/52/99/38/569529938.db2.gz HKSZEWPTZFSQAV-UHFFFAOYSA-N 0 0 441.509 3.046 50 0 IGAARN COc1cc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc(OC)c1OC ZINC000009405710 569529982 /nfs/dbraw/zinc/52/99/82/569529982.db2.gz HQZJZVSBYFZZKF-UHFFFAOYSA-N 0 0 429.498 3.381 50 0 IGAARN Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)c1 ZINC000009406710 569530131 /nfs/dbraw/zinc/53/01/31/569530131.db2.gz MBRIENDTWPSRBF-UHFFFAOYSA-N 0 0 439.878 3.198 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1)N1CCCC1 ZINC000009406842 569530197 /nfs/dbraw/zinc/53/01/97/569530197.db2.gz RSNKVBBCQSXBMS-UHFFFAOYSA-N 0 0 438.553 3.253 50 0 IGAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(F)cc2)cc1C ZINC000009408159 569530514 /nfs/dbraw/zinc/53/05/14/569530514.db2.gz QWFGZKJMDBBKTP-RBUKOAKNSA-N 0 0 447.557 3.156 50 0 IGAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(C)c(C)c2)cc1 ZINC000009408385 569530532 /nfs/dbraw/zinc/53/05/32/569530532.db2.gz AMUXFJWBIWDSQN-VQTJNVASSA-N 0 0 443.594 3.325 50 0 IGAARN Cc1cc(C)cc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000009408478 569530596 /nfs/dbraw/zinc/53/05/96/569530596.db2.gz OLJNGDIULOSGMZ-PKOBYXMFSA-N 0 0 447.557 3.156 50 0 IGAARN COc1ccc(OC)c(-n2cc3c(c2-c2ccc(Cl)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000009409453 569530989 /nfs/dbraw/zinc/53/09/89/569530989.db2.gz OGYIJZOUHOABOG-UHFFFAOYSA-N 0 0 425.872 3.366 50 0 IGAARN O=C(CCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1cccs1 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COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)c1 ZINC000009448592 569536140 /nfs/dbraw/zinc/53/61/40/569536140.db2.gz NOMSZYGRXRZWIJ-INIZCTEOSA-N 0 0 429.498 3.336 50 0 IGAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cn4)n3N)n[nH]2)cc1 ZINC000009453181 569536591 /nfs/dbraw/zinc/53/65/91/569536591.db2.gz IHVKJQACWLROBT-UHFFFAOYSA-N 0 0 440.920 3.137 50 0 IGAARN CCn1c(CSc2nc3ccccc3n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009461562 569537115 /nfs/dbraw/zinc/53/71/15/569537115.db2.gz JVYKRRRORUIAJN-UHFFFAOYSA-N 0 0 429.571 3.486 50 0 IGAARN O=C(CSc1nncs1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009466072 569538129 /nfs/dbraw/zinc/53/81/29/569538129.db2.gz GNFGWOQVPZUEQP-UHFFFAOYSA-N 0 0 447.007 3.487 50 0 IGAARN CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4Cl)sc3nc2=O)cc1 ZINC000009463812 569537556 /nfs/dbraw/zinc/53/75/56/569537556.db2.gz OVGIUNXXPYPQFD-UYRXBGFRSA-N 0 0 439.924 3.092 50 0 IGAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccc4ncsc4c3)ccc21 ZINC000009465262 569537902 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O=C(Cn1cnc2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000009664204 569557341 /nfs/dbraw/zinc/55/73/41/569557341.db2.gz GATAZSRYFUFJAD-UHFFFAOYSA-N 0 0 431.521 3.050 50 0 IGAARN O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009664466 569557412 /nfs/dbraw/zinc/55/74/12/569557412.db2.gz AHVVZHQHZWPYJE-UHFFFAOYSA-N 0 0 445.324 3.032 50 0 IGAARN O=C([C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1)N1CCOCC1 ZINC000009666840 569557815 /nfs/dbraw/zinc/55/78/15/569557815.db2.gz XAWFDKUQVHALKH-SFHVURJKSA-N 0 0 425.466 3.158 50 0 IGAARN COc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000009668055 569557926 /nfs/dbraw/zinc/55/79/26/569557926.db2.gz VFECMVMURFASNX-UHFFFAOYSA-N 0 0 440.521 3.112 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)nc1 ZINC000009669482 569558030 /nfs/dbraw/zinc/55/80/30/569558030.db2.gz MYPVZDRFOAPZHR-UHFFFAOYSA-N 0 0 429.011 3.149 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CSc1nnc2n1CCCCC2 ZINC000009672279 569558794 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ZINC000035537155 524241234 /nfs/dbraw/zinc/24/12/34/524241234.db2.gz IQZBGPHPIWTYET-QGZVFWFLSA-N 0 0 442.947 3.154 50 0 IGAARN Cc1cccc(C)c1-n1c(SCCCO)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012537302 524242805 /nfs/dbraw/zinc/24/28/05/524242805.db2.gz MWXMXMQLFGDOJI-UHFFFAOYSA-N 0 0 446.598 3.276 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022089600 524255344 /nfs/dbraw/zinc/25/53/44/524255344.db2.gz CAAHWTAOJRBOGH-SFHVURJKSA-N 0 0 430.980 3.430 50 0 IGAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccccc1)c(C)n2C ZINC000035448424 524269541 /nfs/dbraw/zinc/26/95/41/524269541.db2.gz HJTHSLCVMCMUJF-UHFFFAOYSA-N 0 0 430.508 3.266 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(F)c2)CC3)c(C)c1 ZINC000020614772 524320079 /nfs/dbraw/zinc/32/00/79/524320079.db2.gz BGTLTQNHXNXSDS-UHFFFAOYSA-N 0 0 446.544 3.404 50 0 IGAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009263057 524321870 /nfs/dbraw/zinc/32/18/70/524321870.db2.gz 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C[C@@H](CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995577 524383713 /nfs/dbraw/zinc/38/37/13/524383713.db2.gz IONZUUYLMWPVGJ-ZDUSSCGKSA-N 0 0 448.491 3.455 50 0 IGAARN COc1ccc(N2C(=O)N[C@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1 ZINC000012409398 524394263 /nfs/dbraw/zinc/39/42/63/524394263.db2.gz SEKAEOWIMZAEBQ-KRWDZBQOSA-N 0 0 427.766 3.093 50 0 IGAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCCc1ccccc1 ZINC000032975651 524431856 /nfs/dbraw/zinc/43/18/56/524431856.db2.gz FTJBZMBUIWEQDN-NHCUHLMSSA-N 0 0 440.565 3.191 50 0 IGAARN Cc1ccc(CN2CCN(C(=O)[C@@H]3CCc4nc(N5CCCC5)ncc4C3)CC2)cc1C ZINC000065289428 524455187 /nfs/dbraw/zinc/45/51/87/524455187.db2.gz KXADAFJAKRTSDX-JOCHJYFZSA-N 0 0 433.600 3.143 50 0 IGAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000035531394 524457551 /nfs/dbraw/zinc/45/75/51/524457551.db2.gz QBLNWSKUQTZOCG-UHFFFAOYSA-N 0 0 444.553 3.139 50 0 IGAARN Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)n1 ZINC000012917081 524521794 /nfs/dbraw/zinc/52/17/94/524521794.db2.gz SKLJMETZCORUMQ-GOSISDBHSA-N 0 0 435.366 3.223 50 0 IGAARN COc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)nc2-n2nc(C)cc2C)cc1 ZINC000015882744 524527714 /nfs/dbraw/zinc/52/77/14/524527714.db2.gz NGFMXZDNFPEEGG-UHFFFAOYSA-N 0 0 429.480 3.360 50 0 IGAARN COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(OC)c1 ZINC000012420047 524527854 /nfs/dbraw/zinc/52/78/54/524527854.db2.gz DTEBJYIBUMHAKO-UHFFFAOYSA-N 0 0 449.507 3.284 50 0 biogenic,in-vitro IGAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)cc1 ZINC000035535232 524531671 /nfs/dbraw/zinc/53/16/71/524531671.db2.gz MMOUKCCJBFMDSY-UHFFFAOYSA-N 0 0 443.459 3.283 50 0 IGAARN Cc1cccc(N2CCN(C(=O)CCCn3nc(C)n4c5ccoc5cc4c3=O)C[C@H]2C)c1 ZINC000020866280 524543379 /nfs/dbraw/zinc/54/33/79/524543379.db2.gz DNWPHPXKVLSXCN-GOSISDBHSA-N 0 0 447.539 3.377 50 0 IGAARN C[C@@H](CCc1ccco1)NC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557061 524543646 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COc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1S(N)(=O)=O ZINC000012748743 524625406 /nfs/dbraw/zinc/62/54/06/524625406.db2.gz LRCJJYFDNZYEKZ-UHFFFAOYSA-N 0 0 438.465 3.041 50 0 IGAARN COc1ccc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)cc1OCC(N)=O ZINC000095367862 524628201 /nfs/dbraw/zinc/62/82/01/524628201.db2.gz QMZPPJOLDRJDPF-UHFFFAOYSA-N 0 0 436.237 3.195 50 0 IGAARN COc1ccc(NC(=O)c2ccc(COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2)cc1 ZINC000012772113 524633219 /nfs/dbraw/zinc/63/32/19/524633219.db2.gz QRKOWHDMHOWEGW-XXBNENTESA-N 0 0 440.521 3.445 50 0 IGAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 ZINC000014304674 524656098 /nfs/dbraw/zinc/65/60/98/524656098.db2.gz YTPNTZXFIZEJNX-AWEZNQCLSA-N 0 0 438.347 3.192 50 0 IGAARN COc1ccc(NC(C)=O)cc1NC[C@@H](O)COc1ccc2c(C)cc(=O)oc2c1C ZINC000035686208 524673355 /nfs/dbraw/zinc/67/33/55/524673355.db2.gz VGPSQQVRJFXHKV-QGZVFWFLSA-N 0 0 426.469 3.229 50 0 IGAARN CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc21 ZINC000009405470 534801451 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428.916 3.063 50 0 IGAARN COc1ccc(OC)c(CNC(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404226 524830679 /nfs/dbraw/zinc/83/06/79/524830679.db2.gz YSOKXTHGJNILCY-UHFFFAOYSA-N 0 0 432.524 3.295 50 0 IGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)N2CCc3ccccc3C2)c1 ZINC000036059461 524894611 /nfs/dbraw/zinc/89/46/11/524894611.db2.gz HRAZWSDFLYUTBF-GOTSBHOMSA-N 0 0 434.536 3.241 50 0 IGAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000036045511 524896626 /nfs/dbraw/zinc/89/66/26/524896626.db2.gz SDGMCKKJIJPFCR-SFTDATJTSA-N 0 0 428.504 3.357 50 0 IGAARN Cc1ccc(N2CCN(C(=O)CCn3cnc4c5ccccc5[nH]c4c3=O)CC2)c(C)c1 ZINC000023125984 524959246 /nfs/dbraw/zinc/95/92/46/524959246.db2.gz FYBVAIYYDVOOLS-UHFFFAOYSA-N 0 0 429.524 3.234 50 0 IGAARN COc1ccc(OCc2cc(C(=O)N3CCC[C@@H](CN4CCCC4=O)C3)no2)c(Cl)c1 ZINC000012206487 524972589 /nfs/dbraw/zinc/97/25/89/524972589.db2.gz CVFKBESIJARMNV-HNNXBMFYSA-N 0 0 447.919 3.390 50 0 IGAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000032950240 524978437 /nfs/dbraw/zinc/97/84/37/524978437.db2.gz VEPWUFJIKOSHKH-ZDUSSCGKSA-N 0 0 426.498 3.495 50 0 IGAARN COc1ccc(OCc2nnc(SCC(=O)c3ccc4c(c3)CCC(=O)N4)n2C)cc1 ZINC000012737172 524978915 /nfs/dbraw/zinc/97/89/15/524978915.db2.gz BORSRCFVWCSGHD-UHFFFAOYSA-N 0 0 438.509 3.262 50 0 IGAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCn4c5ccccc5nc43)ccc2N1C(=O)C1CCC1 ZINC000020556731 524980924 /nfs/dbraw/zinc/98/09/24/524980924.db2.gz XUJIETRJOQVPHB-HNNXBMFYSA-N 0 0 436.537 3.323 50 0 IGAARN Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000021654471 525013270 /nfs/dbraw/zinc/01/32/70/525013270.db2.gz AWFGIXYSLBQMJJ-UHFFFAOYSA-N 0 0 449.551 3.275 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CC2)cc1 ZINC000012910664 525017316 /nfs/dbraw/zinc/01/73/16/525017316.db2.gz IOJJPOYPVFTSQI-CQSZACIVSA-N 0 0 448.507 3.285 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@H](C)O1 ZINC000018890198 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/nfs/dbraw/zinc/80/85/34/525808534.db2.gz BAQZKBDIKUWYFI-FGZHOGPDSA-N 0 0 440.540 3.340 50 0 IGAARN COc1cccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000036054311 525810406 /nfs/dbraw/zinc/81/04/06/525810406.db2.gz GSXCSFUARUCBFX-UXHICEINSA-N 0 0 426.513 3.093 50 0 IGAARN COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c1 ZINC000020997722 525829404 /nfs/dbraw/zinc/82/94/04/525829404.db2.gz NEKUULHKNVXHFY-OAHLLOKOSA-N 0 0 441.482 3.114 50 0 IGAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 ZINC000021796916 525835463 /nfs/dbraw/zinc/83/54/63/525835463.db2.gz POKJPIABEKUHHN-UHFFFAOYSA-N 0 0 433.468 3.312 50 0 IGAARN Cc1ccc(-c2nn3c(nc(CNC(=O)COc4ccc(C)c(C)c4)cc3=O)s2)cc1 ZINC000041077110 525842707 /nfs/dbraw/zinc/84/27/07/525842707.db2.gz RATXUGTUQWBTQL-UHFFFAOYSA-N 0 0 434.521 3.438 50 0 IGAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000033276217 525875057 /nfs/dbraw/zinc/87/50/57/525875057.db2.gz RGYYLQCCXGAGLE-CYBMUJFWSA-N 0 0 444.488 3.367 50 0 IGAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012759859 525878735 /nfs/dbraw/zinc/87/87/35/525878735.db2.gz MNZHPJLEXIEZLN-UHFFFAOYSA-N 0 0 426.904 3.422 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccccc1 ZINC000012776098 525892394 /nfs/dbraw/zinc/89/23/94/525892394.db2.gz ABPDFWWCAFMFGW-SFHVURJKSA-N 0 0 444.553 3.113 50 0 IGAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 ZINC000012594563 525892935 /nfs/dbraw/zinc/89/29/35/525892935.db2.gz KDGMVVCCEIKQDD-IBGZPJMESA-N 0 0 428.583 3.455 50 0 IGAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccccc1 ZINC000012776094 525896930 /nfs/dbraw/zinc/89/69/30/525896930.db2.gz ABPDFWWCAFMFGW-GOSISDBHSA-N 0 0 444.553 3.113 50 0 IGAARN Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc2N2CCCCC2)cc1 ZINC000012561599 525897862 /nfs/dbraw/zinc/89/78/62/525897862.db2.gz BSTHFJSHMGLCAH-UHFFFAOYSA-N 0 0 430.578 3.282 50 0 IGAARN COc1cccc(CN(C)C(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c1OC 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ZINC000013533428 556512965 /nfs/dbraw/zinc/51/29/65/556512965.db2.gz VMKFZGNKZBMUJP-UHFFFAOYSA-N 0 0 427.432 3.190 50 0 IGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@]2(C)Cc3cc(Cl)ccc3C(=O)O2)c1 ZINC000013557407 556517217 /nfs/dbraw/zinc/51/72/17/556517217.db2.gz SDIXLWAKAVNHMK-NRFANRHFSA-N 0 0 431.828 3.024 50 0 IGAARN CC(C)COC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013563934 556518341 /nfs/dbraw/zinc/51/83/41/556518341.db2.gz KAHRRBTTZSYVLT-MTQWNXOMSA-N 0 0 447.572 3.191 50 0 IGAARN O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000013572384 556522783 /nfs/dbraw/zinc/52/27/83/556522783.db2.gz JOXBGOWWNJHQOK-ZJYZBMPFSA-N 0 0 444.940 3.486 50 0 IGAARN CC(C)NC(=O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)c1ccccc1 ZINC000013592354 556530343 /nfs/dbraw/zinc/53/03/43/556530343.db2.gz MDHFYMUDWKBAHW-YYDVJCTNSA-N 0 0 437.565 3.417 50 0 IGAARN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000065265752 556531878 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0 IGAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000032903127 556541903 /nfs/dbraw/zinc/54/19/03/556541903.db2.gz BOVUCEFIKTZSPJ-UHFFFAOYSA-N 0 0 427.448 3.205 50 0 IGAARN CCCCC(=O)Nc1cccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000032904843 556544552 /nfs/dbraw/zinc/54/45/52/556544552.db2.gz LDQJFDZRGOIWGJ-UHFFFAOYSA-N 0 0 442.541 3.414 50 0 IGAARN COc1ccccc1[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nccn1C ZINC000032905108 556550172 /nfs/dbraw/zinc/55/01/72/556550172.db2.gz AAGZFXZXWGHMKH-XMMPIXPASA-N 0 0 445.523 3.051 50 0 IGAARN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000032906437 556552391 /nfs/dbraw/zinc/55/23/91/556552391.db2.gz BVXOFIUYLHBBKU-WOJBJXKFSA-N 0 0 441.572 3.461 50 0 IGAARN CCN(Cc1nc(-c2cccs2)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000011094122 556552938 /nfs/dbraw/zinc/55/29/38/556552938.db2.gz HFQMILOFANAKCM-UHFFFAOYSA-N 0 0 437.525 3.219 50 0 IGAARN CN1c2ccccc2N(CC(=O)Nc2cc3c(cc2Br)OCCO3)CCC1=O ZINC000072305651 556554311 /nfs/dbraw/zinc/55/43/11/556554311.db2.gz ANEJCZILURYVRS-UHFFFAOYSA-N 0 0 446.301 3.032 50 0 IGAARN Cc1noc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)n1 ZINC000032905739 556555906 /nfs/dbraw/zinc/55/59/06/556555906.db2.gz PTVNIWGJHOLBMS-SNVBAGLBSA-N 0 0 446.510 3.015 50 0 IGAARN O=C(CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O)NCc1cccc(F)c1 ZINC000033250162 556556988 /nfs/dbraw/zinc/55/69/88/556556988.db2.gz STCZNGIXIXSNGD-UHFFFAOYSA-N 0 0 428.370 3.175 50 0 IGAARN COc1cc(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC(C)C ZINC000015851709 556557678 /nfs/dbraw/zinc/55/76/78/556557678.db2.gz QEYDMXKKRDVWEI-GOSISDBHSA-N 0 0 426.513 3.377 50 0 IGAARN COCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274634 556558745 /nfs/dbraw/zinc/55/87/45/556558745.db2.gz MHWMFIAJFNLAAT-UHFFFAOYSA-N 0 0 426.897 3.074 50 0 IGAARN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000015869512 556559878 /nfs/dbraw/zinc/55/98/78/556559878.db2.gz LEOUBLRZAMAMEB-HNNXBMFYSA-N 0 0 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ZINC000015952082 556568885 /nfs/dbraw/zinc/56/88/85/556568885.db2.gz BRCJLJAYLDEDTG-LJQANCHMSA-N 0 0 429.448 3.037 50 0 IGAARN O=C(NCCCSc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015997995 556572078 /nfs/dbraw/zinc/57/20/78/556572078.db2.gz TYEDIUHDUMEAHW-HNNXBMFYSA-N 0 0 430.501 3.248 50 0 IGAARN O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015997996 556572099 /nfs/dbraw/zinc/57/20/99/556572099.db2.gz TYEDIUHDUMEAHW-OAHLLOKOSA-N 0 0 430.501 3.248 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCC(=O)c1cccs1 ZINC000032909208 556572784 /nfs/dbraw/zinc/57/27/84/556572784.db2.gz ZQQGBKHLWVEHGU-UHFFFAOYSA-N 0 0 436.555 3.069 50 0 IGAARN O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016001953 556572886 /nfs/dbraw/zinc/57/28/86/556572886.db2.gz WZTBGUAXFBSKAK-MSZDEVHKSA-N 0 0 441.462 3.410 50 0 IGAARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000072310406 556576093 /nfs/dbraw/zinc/57/60/93/556576093.db2.gz 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Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000032967434 556587671 /nfs/dbraw/zinc/58/76/71/556587671.db2.gz WVCLNWZRJJPAFS-HNNXBMFYSA-N 0 0 434.323 3.405 50 0 IGAARN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000016287018 556597637 /nfs/dbraw/zinc/59/76/37/556597637.db2.gz MRRIKBHHOYSTRM-FQEVSTJZSA-N 0 0 434.334 3.223 50 0 IGAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C1 ZINC000100860543 556597851 /nfs/dbraw/zinc/59/78/51/556597851.db2.gz IDKZRBJBUSNJMM-UCMDFWOYSA-N 0 0 429.567 3.402 50 0 IGAARN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(S(=O)(=O)N(C)C)c1C ZINC000016309006 556599128 /nfs/dbraw/zinc/59/91/28/556599128.db2.gz PDTCGOJQFVKHGX-LJQANCHMSA-N 0 0 426.542 3.407 50 0 IGAARN Cc1ccc(-n2nnnc2-c2cnc(-c3ccc(C(N)=O)cc3)nc2C(F)(F)F)cc1 ZINC000016311531 556599650 /nfs/dbraw/zinc/59/96/50/556599650.db2.gz JONUOZXPUNWDJI-UHFFFAOYSA-N 0 0 425.374 3.212 50 0 IGAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983234 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C[C@@H]1CN(Cc2csc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 ZINC000170601237 569143140 /nfs/dbraw/zinc/14/31/40/569143140.db2.gz HEKOXWIARBTNSP-PBFPGSCMSA-N 0 0 443.491 3.313 50 0 IGAARN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1 ZINC000170611401 569145287 /nfs/dbraw/zinc/14/52/87/569145287.db2.gz YDLJIRXEHPGIIB-UHFFFAOYSA-N 0 0 439.541 3.219 50 0 IGAARN CCOC(=O)c1csc(C2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)n1 ZINC000170613571 569146276 /nfs/dbraw/zinc/14/62/76/569146276.db2.gz ZDCBHIGJIZGCAG-UHFFFAOYSA-N 0 0 441.509 3.143 50 0 IGAARN OC[C@H]1CCCN1c1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 ZINC000170622192 569148046 /nfs/dbraw/zinc/14/80/46/569148046.db2.gz APLVRJOYADCOGV-PXAZEXFGSA-N 0 0 427.307 3.462 50 0 IGAARN COc1cc(OC)c(CNC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000170626665 569148771 /nfs/dbraw/zinc/14/87/71/569148771.db2.gz HKLPGPZRAFKCMB-IBGZPJMESA-N 0 0 440.496 3.040 50 0 IGAARN CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)n1 ZINC000071000016 569149188 /nfs/dbraw/zinc/14/91/88/569149188.db2.gz RUQMMWSXEINWQG-UHFFFAOYSA-N 0 0 449.696 3.032 50 0 IGAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C ZINC000009882703 569149808 /nfs/dbraw/zinc/14/98/08/569149808.db2.gz YWCICOMJPOXSHL-UHFFFAOYSA-N 0 0 437.934 3.500 50 0 IGAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000009909253 569150340 /nfs/dbraw/zinc/15/03/40/569150340.db2.gz FPSDKGLADGOWRR-UHFFFAOYSA-N 0 0 433.533 3.487 50 0 IGAARN O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCc2ccccc21 ZINC000009910441 569150485 /nfs/dbraw/zinc/15/04/85/569150485.db2.gz RVXWTIDRWXHSKI-UHFFFAOYSA-N 0 0 436.489 3.462 50 0 IGAARN CCOC(=O)CC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 ZINC000010024428 569151562 /nfs/dbraw/zinc/15/15/62/569151562.db2.gz SAPMKTBGOYNLQJ-UHFFFAOYSA-N 0 0 432.523 3.202 50 0 IGAARN O=C(c1cc2c(s1)CCCCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000010027819 569151777 /nfs/dbraw/zinc/15/17/77/569151777.db2.gz JNVQJOXXMWWQBY-LJQANCHMSA-N 0 0 426.538 3.141 50 0 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CCOc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nnc(C)s2)n1C ZINC000009290116 569519705 /nfs/dbraw/zinc/51/97/05/569519705.db2.gz PTYJPBPLGMTYEX-GFCCVEGCSA-N 0 0 448.574 3.380 50 0 IGAARN CCOc1ccc(-c2nnc(NC(=O)C(=O)c3cc(C)n(CCOC)c3C)s2)cc1 ZINC000009290189 569519754 /nfs/dbraw/zinc/51/97/54/569519754.db2.gz VGWJDCSQDOTAKN-UHFFFAOYSA-N 0 0 428.514 3.490 50 0 IGAARN Cn1c2nc3n(c2c(=O)n(Cc2cccc(Cl)c2)c1=O)CCCN3Cc1ccccc1 ZINC000009290618 569519761 /nfs/dbraw/zinc/51/97/61/569519761.db2.gz KNAXWYMJWQXBMN-UHFFFAOYSA-N 0 0 435.915 3.009 50 0 IGAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302648 569520904 /nfs/dbraw/zinc/52/09/04/569520904.db2.gz VJCFAXYOMAJOBW-UHFFFAOYSA-N 0 0 430.559 3.357 50 0 IGAARN O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 ZINC000009303065 569520935 /nfs/dbraw/zinc/52/09/35/569520935.db2.gz QWACYZJYWRDQIN-JMIUGGIZSA-N 0 0 449.488 3.292 50 0 IGAARN CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000009304074 569521149 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569535007 /nfs/dbraw/zinc/53/50/07/569535007.db2.gz UPVSZJCREPURBB-UHFFFAOYSA-N 0 0 449.507 3.350 50 0 IGAARN O=C(COC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009442592 569535605 /nfs/dbraw/zinc/53/56/05/569535605.db2.gz UFYSGYRGJHOVEX-UHFFFAOYSA-N 0 0 442.946 3.372 50 0 IGAARN C[C@H]1CCc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(C(N)=O)c2C1 ZINC000009446339 569535882 /nfs/dbraw/zinc/53/58/82/569535882.db2.gz OKGMQFHKXGWMCB-ZDUSSCGKSA-N 0 0 447.582 3.009 50 0 IGAARN COc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(OC)cc4)[nH]n3)n2N)cc1 ZINC000009446674 569535948 /nfs/dbraw/zinc/53/59/48/569535948.db2.gz LMPWNVXQBYSADI-UHFFFAOYSA-N 0 0 436.497 3.041 50 0 IGAARN Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@H]3CCCO3)c2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000009446536 569535967 /nfs/dbraw/zinc/53/59/67/569535967.db2.gz HTTBUHYUAXPNIQ-OPAMFIHVSA-N 0 0 439.487 3.369 50 0 IGAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000009464014 569537593 /nfs/dbraw/zinc/53/75/93/569537593.db2.gz 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O=C(CSCc1cc(=O)n2c3c(sc2n1)CCCC3)Nc1ccc2c(c1)OCCO2 ZINC000009487021 569539669 /nfs/dbraw/zinc/53/96/69/569539669.db2.gz RVDQGCVJXLWIKX-UHFFFAOYSA-N 0 0 443.550 3.278 50 0 IGAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(C)cc4)n3N)n[nH]2)cc1 ZINC000009487479 569539759 /nfs/dbraw/zinc/53/97/59/569539759.db2.gz USGSRQRVEDAANM-UHFFFAOYSA-N 0 0 435.513 3.097 50 0 IGAARN COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000009493426 569540735 /nfs/dbraw/zinc/54/07/35/569540735.db2.gz OCCLAIVQDYUCEW-UHFFFAOYSA-N 0 0 448.475 3.186 50 0 IGAARN O=C(Cn1nnc2ccccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009493633 569540824 /nfs/dbraw/zinc/54/08/24/569540824.db2.gz JFQLOBZZZBMXRS-IBGZPJMESA-N 0 0 433.855 3.416 50 0 IGAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(S(C)(=O)=O)CC2)cc1 ZINC000009497034 569541266 /nfs/dbraw/zinc/54/12/66/569541266.db2.gz RWRGWGSLXVKVLD-NRFANRHFSA-N 0 0 441.553 3.299 50 0 IGAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC ZINC000009497271 569541275 /nfs/dbraw/zinc/54/12/75/569541275.db2.gz HMDNXBIKZAQXPU-KSSFIOAISA-N 0 0 444.981 3.222 50 0 IGAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009498139 569541296 /nfs/dbraw/zinc/54/12/96/569541296.db2.gz FJYUKJWZGFGTAP-QGZVFWFLSA-N 0 0 433.530 3.247 50 0 IGAARN O=C(CSc1nnc2n1CCCCC2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009499148 569541474 /nfs/dbraw/zinc/54/14/74/569541474.db2.gz OPIYMFKAIWTJEH-UHFFFAOYSA-N 0 0 437.451 3.335 50 0 IGAARN O=c1c2ccccc2ncn1CCS(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000009502103 569541693 /nfs/dbraw/zinc/54/16/93/569541693.db2.gz GPIXYWQTNAALIC-QGZVFWFLSA-N 0 0 435.958 3.206 50 0 IGAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccc2c(c1)OCCO2 ZINC000009503816 569541794 /nfs/dbraw/zinc/54/17/94/569541794.db2.gz PVQUTRVDUHMILG-UHFFFAOYSA-N 0 0 447.516 3.255 50 0 IGAARN COC(=O)c1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 ZINC000009507465 569542069 /nfs/dbraw/zinc/54/20/69/569542069.db2.gz YOTAOMOGRDTRHK-NRFANRHFSA-N 0 0 429.428 3.286 50 0 IGAARN CCCCN(C(=O)Cc1c(Cl)cccc1Cl)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009507796 569542117 /nfs/dbraw/zinc/54/21/17/569542117.db2.gz OIKIAMKHSBXSPJ-UHFFFAOYSA-N 0 0 427.332 3.211 50 0 IGAARN CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1 ZINC000009515043 569543269 /nfs/dbraw/zinc/54/32/69/569543269.db2.gz IQTNRWFNCDDEIN-IBGZPJMESA-N 0 0 449.960 3.331 50 0 IGAARN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)c1C ZINC000009518049 569543887 /nfs/dbraw/zinc/54/38/87/569543887.db2.gz RPLCACIXRFPGPQ-UHFFFAOYSA-N 0 0 441.488 3.091 50 0 IGAARN C[C@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1cccc(Cl)c1)c3=O ZINC000009519120 569544235 /nfs/dbraw/zinc/54/42/35/569544235.db2.gz LWSHMHPVOFPUIG-MRXNPFEDSA-N 0 0 449.942 3.255 50 0 IGAARN COc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000009528550 569544740 /nfs/dbraw/zinc/54/47/40/569544740.db2.gz DHZDCSUWVWFBLE-UHFFFAOYSA-N 0 0 429.473 3.264 50 0 IGAARN COc1ccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)N2)cc1Cl ZINC000009530203 569544959 /nfs/dbraw/zinc/54/49/59/569544959.db2.gz AFVIMFNQZNVWHB-UHFFFAOYSA-N 0 0 425.919 3.499 50 0 IGAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009532542 569545337 /nfs/dbraw/zinc/54/53/37/569545337.db2.gz QAJHXAFSSBGTCH-UHFFFAOYSA-N 0 0 448.566 3.363 50 0 IGAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000009540591 569545860 /nfs/dbraw/zinc/54/58/60/569545860.db2.gz FEZBWFVFPCGTTB-UHFFFAOYSA-N 0 0 432.926 3.455 50 0 IGAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009544876 569546046 /nfs/dbraw/zinc/54/60/46/569546046.db2.gz SGKONJLPJHRXGJ-FQEVSTJZSA-N 0 0 426.519 3.442 50 0 IGAARN COc1ccc(C(=O)NC2=C(C)Nc3ncnn3[C@H]2c2c[nH]c3ccccc32)c(OC)c1 ZINC000009547503 569546354 /nfs/dbraw/zinc/54/63/54/569546354.db2.gz SCSPKKUEEDHMOB-NRFANRHFSA-N 0 0 430.468 3.106 50 0 IGAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000009547827 569546447 /nfs/dbraw/zinc/54/64/47/569546447.db2.gz NBXTWUPZXQLVKS-UHFFFAOYSA-N 0 0 447.528 3.487 50 0 IGAARN CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000009549898 569546684 /nfs/dbraw/zinc/54/66/84/569546684.db2.gz UOVSJMJUXHYFEE-HXPMCKFVSA-N 0 0 426.498 3.228 50 0 IGAARN COc1ccc(N2C[C@H](NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1OC ZINC000009568849 569547435 /nfs/dbraw/zinc/54/74/35/569547435.db2.gz WYBUFXAFJAUPLP-GOSISDBHSA-N 0 0 436.512 3.072 50 0 IGAARN COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(C)c4)n3n2)cc1 ZINC000009568978 569547511 /nfs/dbraw/zinc/54/75/11/569547511.db2.gz JWIAQJICEHMCGA-UHFFFAOYSA-N 0 0 435.509 3.072 50 0 IGAARN CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 ZINC000009568984 569547516 /nfs/dbraw/zinc/54/75/16/569547516.db2.gz IEGAPXXOVYGSBZ-UHFFFAOYSA-N 0 0 449.536 3.326 50 0 IGAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccccc1 ZINC000009569051 569547526 /nfs/dbraw/zinc/54/75/26/569547526.db2.gz JVDUBAHYOJYNAD-UHFFFAOYSA-N 0 0 425.901 3.409 50 0 IGAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)N[C@H](C)c4ccccc4)n3n2)c1 ZINC000009569105 569547564 /nfs/dbraw/zinc/54/75/64/569547564.db2.gz KMGVHJDZTANYLY-MRXNPFEDSA-N 0 0 433.537 3.302 50 0 IGAARN O=C(Nc1nc(-c2ccncc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009574175 569547970 /nfs/dbraw/zinc/54/79/70/569547970.db2.gz ZPAFANLGWZALLJ-OAHLLOKOSA-N 0 0 434.568 3.449 50 0 IGAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000009580522 569548795 /nfs/dbraw/zinc/54/87/95/569548795.db2.gz COJUDZZHACDMHT-SFHVURJKSA-N 0 0 427.501 3.036 50 0 IGAARN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000070636576 569548884 /nfs/dbraw/zinc/54/88/84/569548884.db2.gz QWYXRWWTXFQGJA-MRXNPFEDSA-N 0 0 436.308 3.090 50 0 IGAARN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000070640258 569549059 /nfs/dbraw/zinc/54/90/59/569549059.db2.gz ZUDHOFATJIXNOW-AWEZNQCLSA-N 0 0 436.308 3.392 50 0 IGAARN O=C(Oc1ccc(Br)cc1F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009583357 569549296 /nfs/dbraw/zinc/54/92/96/569549296.db2.gz OYDQNSVSHDLIFT-NSHDSACASA-N 0 0 436.233 3.318 50 0 IGAARN Nn1c(SCC(=O)NCCSCc2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000009586016 569549618 /nfs/dbraw/zinc/54/96/18/569549618.db2.gz HLNLLRZGQAWERE-UHFFFAOYSA-N 0 0 433.990 3.454 50 0 IGAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009586594 569549655 /nfs/dbraw/zinc/54/96/55/569549655.db2.gz HXEWTNLZDZPQAX-UHFFFAOYSA-N 0 0 440.525 3.308 50 0 IGAARN CCCC[C@@H](CC)CNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000009589616 569550008 /nfs/dbraw/zinc/55/00/08/569550008.db2.gz MGAKIRAIZBFXDV-QGZVFWFLSA-N 0 0 445.560 3.369 50 0 IGAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000009592400 569550283 /nfs/dbraw/zinc/55/02/83/569550283.db2.gz OIKXUAUDWURGEA-UHFFFAOYSA-N 0 0 427.478 3.170 50 0 IGAARN Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000009598816 569551091 /nfs/dbraw/zinc/55/10/91/569551091.db2.gz MRZVTQBVYHSRKH-UHFFFAOYSA-N 0 0 433.533 3.206 50 0 IGAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)NC[C@H]1CCCO1 ZINC000009600016 569551413 /nfs/dbraw/zinc/55/14/13/569551413.db2.gz KUCJRXCXNHADHP-SNVBAGLBSA-N 0 0 447.369 3.485 50 0 IGAARN O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)NCc1ccc(F)cc1 ZINC000009600190 569551451 /nfs/dbraw/zinc/55/14/51/569551451.db2.gz IZRMTVXSGOAQGU-UHFFFAOYSA-N 0 0 434.493 3.406 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)CCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000009601134 569551543 /nfs/dbraw/zinc/55/15/43/569551543.db2.gz VVPQYBMXPZBWOT-UHFFFAOYSA-N 0 0 440.338 3.295 50 0 IGAARN CC(C)c1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009604865 569551906 /nfs/dbraw/zinc/55/19/06/569551906.db2.gz FFNFSZRJAINVGG-IZHWHUGBSA-N 0 0 437.496 3.011 50 0 IGAARN Cc1ccc(C)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000009610482 569552500 /nfs/dbraw/zinc/55/25/00/569552500.db2.gz PLUSUMJIGNUPRK-GOSISDBHSA-N 0 0 445.541 3.080 50 0 IGAARN COc1cccc(C(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C3CCCC3)c2=O)c1 ZINC000009617520 569553373 /nfs/dbraw/zinc/55/33/73/569553373.db2.gz QSRNDIVSWBPYFL-UHFFFAOYSA-N 0 0 438.480 3.187 50 0 IGAARN CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c2ccccc2c1=O ZINC000009632801 569554057 /nfs/dbraw/zinc/55/40/57/569554057.db2.gz KWXYGFSOKWGTIH-UHFFFAOYSA-N 0 0 442.541 3.089 50 0 IGAARN O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000009633291 569554207 /nfs/dbraw/zinc/55/42/07/569554207.db2.gz MIXGDFPZXCMZBJ-UHFFFAOYSA-N 0 0 436.386 3.158 50 0 IGAARN CCC1=NN2C(=NC(C)=C(C(=O)Nc3ccccc3OC)[C@H]2c2ccc3c(c2)OCO3)N1 ZINC000009633565 569554264 /nfs/dbraw/zinc/55/42/64/569554264.db2.gz JLLOXFSLRHECJW-OAQYLSRUSA-N 0 0 433.468 3.376 50 0 IGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F ZINC000009634687 569554499 /nfs/dbraw/zinc/55/44/99/569554499.db2.gz KVRIJLRTKRKZDQ-UHFFFAOYSA-N 0 0 444.431 3.060 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccco2)cc1 ZINC000009634696 569554533 /nfs/dbraw/zinc/55/45/33/569554533.db2.gz NFOMMUHGFHPJGF-HRAATJIYSA-N 0 0 447.557 3.124 50 0 IGAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)on1 ZINC000009637516 569554787 /nfs/dbraw/zinc/55/47/87/569554787.db2.gz YSZJOJLPCYKLNY-UHFFFAOYSA-N 0 0 430.482 3.348 50 0 IGAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000009637726 569554840 /nfs/dbraw/zinc/55/48/40/569554840.db2.gz DFIXWHSUMDLQSJ-UHFFFAOYSA-N 0 0 442.526 3.079 50 0 IGAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009641469 569555621 /nfs/dbraw/zinc/55/56/21/569555621.db2.gz HZMMJIUSQIUAAL-OAHLLOKOSA-N 0 0 444.443 3.210 50 0 IGAARN COc1cccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n32)c1 ZINC000009641479 569555742 /nfs/dbraw/zinc/55/57/42/569555742.db2.gz OVYBKKZVXMRWCD-UHFFFAOYSA-N 0 0 441.900 3.477 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 ZINC000009642790 569555905 /nfs/dbraw/zinc/55/59/05/569555905.db2.gz NFJSSSJBYYESON-UHFFFAOYSA-N 0 0 446.594 3.366 50 0 IGAARN O=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009642938 569555923 /nfs/dbraw/zinc/55/59/23/569555923.db2.gz 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O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000009660985 569556938 /nfs/dbraw/zinc/55/69/38/569556938.db2.gz BOOZUSLVQQSDIX-UHFFFAOYSA-N 0 0 441.406 3.047 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000009662482 569557157 /nfs/dbraw/zinc/55/71/57/569557157.db2.gz BUOKYADMVXRWCO-UHFFFAOYSA-N 0 0 440.521 3.063 50 0 IGAARN O=C(NCc1ccc(F)cc1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663321 569557221 /nfs/dbraw/zinc/55/72/21/569557221.db2.gz XHKHIOMQTKDWKW-FQEVSTJZSA-N 0 0 446.482 3.387 50 0 IGAARN COC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(C)CC1)C(C)C ZINC000009668180 569557892 /nfs/dbraw/zinc/55/78/92/569557892.db2.gz GCZYFZQCYPLXBI-WUEBJWAZSA-N 0 0 441.572 3.335 50 0 IGAARN Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009670307 569558279 /nfs/dbraw/zinc/55/82/79/569558279.db2.gz MNBSTBBWDISHIR-UHFFFAOYSA-N 0 0 439.465 3.192 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 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CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-n2cccc2)cc1 ZINC000009707838 569561716 /nfs/dbraw/zinc/56/17/16/569561716.db2.gz IDZFNKJIABZZED-UHFFFAOYSA-N 0 0 448.508 3.361 50 0 IGAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009708315 569561902 /nfs/dbraw/zinc/56/19/02/569561902.db2.gz YRYSKMPLJKDBPM-LJQANCHMSA-N 0 0 449.532 3.378 50 0 IGAARN CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009721290 569563361 /nfs/dbraw/zinc/56/33/61/569563361.db2.gz QFKLMNVIGJEMLM-DEOSSOPVSA-N 0 0 433.533 3.397 50 0 IGAARN C[C@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721776 569563454 /nfs/dbraw/zinc/56/34/54/569563454.db2.gz RLXWRPJCAOOIAT-INIZCTEOSA-N 0 0 438.549 3.127 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)NC2CCCCC2)cn3C)CC1 ZINC000009725341 569563752 /nfs/dbraw/zinc/56/37/52/569563752.db2.gz HWIAFSCSXIIWBJ-UHFFFAOYSA-N 0 0 445.585 3.022 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000009725392 569563799 /nfs/dbraw/zinc/56/37/99/569563799.db2.gz REVLURVBAMPQOT-IBGZPJMESA-N 0 0 437.537 3.016 50 0 IGAARN Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1Cc1ccco1 ZINC000009726388 569563893 /nfs/dbraw/zinc/56/38/93/569563893.db2.gz DQHNYGPUAAPUQM-HNNXBMFYSA-N 0 0 449.554 3.081 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2c(C)noc2C(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000009727221 569564015 /nfs/dbraw/zinc/56/40/15/569564015.db2.gz SFPFKKMEZMCMOF-GOSISDBHSA-N 0 0 427.457 3.135 50 0 IGAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009727592 569564052 /nfs/dbraw/zinc/56/40/52/569564052.db2.gz XXHPXVVAHHYCRM-UHFFFAOYSA-N 0 0 448.585 3.255 50 0 IGAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009728246 569564141 /nfs/dbraw/zinc/56/41/41/569564141.db2.gz XLZVMUBPNDMWAV-ZJSXRUAMSA-N 0 0 431.517 3.347 50 0 IGAARN CCOc1cc(CNC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc(OCC)c1OCC ZINC000009728846 569564184 /nfs/dbraw/zinc/56/41/84/569564184.db2.gz 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O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009768018 569566963 /nfs/dbraw/zinc/56/69/63/569566963.db2.gz MVTQLMDBQWLNLP-MRXNPFEDSA-N 0 0 435.505 3.497 50 0 IGAARN CN(C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)[C@H]1CCCc2ccccc21 ZINC000009778111 569567178 /nfs/dbraw/zinc/56/71/78/569567178.db2.gz OTWOOYCSBSJTNW-FQEVSTJZSA-N 0 0 445.610 3.494 50 0 IGAARN COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(OC)c2)c1 ZINC000009778725 569567289 /nfs/dbraw/zinc/56/72/89/569567289.db2.gz NTZOVQSEZZESCB-VXKWHMMOSA-N 0 0 428.444 3.457 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)c1C ZINC000009779396 569567377 /nfs/dbraw/zinc/56/73/77/569567377.db2.gz KQCNLYGBGXLNLN-UHFFFAOYSA-N 0 0 435.546 3.399 50 0 IGAARN Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)cs1 ZINC000009788816 569567933 /nfs/dbraw/zinc/56/79/33/569567933.db2.gz FZSVNEJGNQGDHE-XMMPIXPASA-N 0 0 448.548 3.244 50 0 IGAARN CCc1cccc2c(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCO5)C3=O)c[nH]c21 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/nfs/dbraw/zinc/28/24/92/525282492.db2.gz MZZNMBMJBZAUIY-UHFFFAOYSA-N 0 0 425.529 3.076 50 0 IGAARN CS(=O)(=O)c1ncc(CN2CCC3(C=Cc4ccccc43)CC2)n1C[C@H]1CCCO1 ZINC000012300635 525283481 /nfs/dbraw/zinc/28/34/81/525283481.db2.gz JLBINFOEPBUVRI-HXUWFJFHSA-N 0 0 427.570 3.026 50 0 IGAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021796999 525395756 /nfs/dbraw/zinc/39/57/56/525395756.db2.gz LZKKHGVZBVYKSK-UHFFFAOYSA-N 0 0 447.495 3.377 50 0 IGAARN COc1ccc([C@H]2CCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 ZINC000021583420 525414974 /nfs/dbraw/zinc/41/49/74/525414974.db2.gz ZUZMEJHNFKKEBV-JOCHJYFZSA-N 0 0 446.569 3.062 50 0 IGAARN COc1ccc([C@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041882 525420529 /nfs/dbraw/zinc/42/05/29/525420529.db2.gz RTOVTFJFEYDCKL-DNQXCXABSA-N 0 0 447.579 3.304 50 0 IGAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000012767032 525456778 /nfs/dbraw/zinc/45/67/78/525456778.db2.gz OFUWQUPBKHVGSC-HNNXBMFYSA-N 0 0 438.933 3.075 50 0 IGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CC4)cc2)C(=O)[C@]31C ZINC000012866009 525482669 /nfs/dbraw/zinc/48/26/69/525482669.db2.gz OABDUXQGEAIRLC-VWLOTQADSA-N 0 0 444.491 3.309 50 0 IGAARN C[C@@H]1Cc2cc(-c3cc(COC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1 ZINC000022769132 525516426 /nfs/dbraw/zinc/51/64/26/525516426.db2.gz GMADGYKZGDBXGN-CQSZACIVSA-N 0 0 442.493 3.272 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3N3CCCC3=O)C2)s1 ZINC000022696591 525531477 /nfs/dbraw/zinc/53/14/77/525531477.db2.gz SVEQMMCWTOZXRI-MRXNPFEDSA-N 0 0 447.582 3.223 50 0 IGAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)CSc3ccccn3)[C@@H]2C(C)C)cc1 ZINC000012461818 525557886 /nfs/dbraw/zinc/55/78/86/525557886.db2.gz QHVJFHPQRBGUDE-LAUBAEHRSA-N 0 0 433.599 3.386 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)cc1 ZINC000032996589 525586732 /nfs/dbraw/zinc/58/67/32/525586732.db2.gz CYEPNVGBLSDLQS-OAHLLOKOSA-N 0 0 428.514 3.223 50 0 IGAARN COc1ccc2c(c1)n(CC(=O)NCc1ccc(F)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535256 525603801 /nfs/dbraw/zinc/60/38/01/525603801.db2.gz YTMYETPUPDGMOE-UHFFFAOYSA-N 0 0 445.450 3.092 50 0 IGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3c[nH]c4ccccc34)CS[C@H]21 ZINC000012868197 525611384 /nfs/dbraw/zinc/61/13/84/525611384.db2.gz BRECCPFDBHMWAM-GAJHUEQPSA-N 0 0 437.521 3.114 50 0 IGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000012662100 525611429 /nfs/dbraw/zinc/61/14/29/525611429.db2.gz BYOKJMNOJDGIRG-BTYIYWSLSA-N 0 0 444.871 3.464 50 0 IGAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C3=O ZINC000021859790 525646150 /nfs/dbraw/zinc/64/61/50/525646150.db2.gz GMTBJHLZBONUKP-HFZDXXHNSA-N 0 0 447.535 3.360 50 0 IGAARN Cc1c(CCC(=O)N2CCC(C)CC2)c(=O)n2nc(-c3ccc(Cl)cc3)nc2n1C ZINC000021807389 525695942 /nfs/dbraw/zinc/69/59/42/525695942.db2.gz NGCOZLNNMKXXRC-UHFFFAOYSA-N 0 0 427.936 3.248 50 0 IGAARN Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000021807364 525698785 /nfs/dbraw/zinc/69/87/85/525698785.db2.gz NCLSVXIVCSMPMY-UHFFFAOYSA-N 0 0 427.508 3.126 50 0 IGAARN C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012633846 525700915 /nfs/dbraw/zinc/70/09/15/525700915.db2.gz IOWWAUQINYMHQM-QGZVFWFLSA-N 0 0 445.585 3.444 50 0 IGAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc2)c1 ZINC000012836880 525713799 /nfs/dbraw/zinc/71/37/99/525713799.db2.gz VAWWFNVYYFFLAK-FQEVSTJZSA-N 0 0 435.524 3.162 50 0 IGAARN Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000012907408 525760137 /nfs/dbraw/zinc/76/01/37/525760137.db2.gz IKEPVGAGSGLSGO-IBGZPJMESA-N 0 0 441.915 3.337 50 0 IGAARN C[C@@H](O)CNC(=O)COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000012390711 525801504 /nfs/dbraw/zinc/80/15/04/525801504.db2.gz IFLYUKIGXPUGIX-GFCCVEGCSA-N 0 0 432.270 3.098 50 0 IGAARN Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NC(C)C)CCN(Cc2ccccc2)C3)cc1 ZINC000035456398 525819706 /nfs/dbraw/zinc/81/97/06/525819706.db2.gz BEALRRYMKTYXMJ-UHFFFAOYSA-N 0 0 430.552 3.302 50 0 IGAARN Cc1ccc(-c2nn3c(nc(CNC(=O)COc4cccc(C)c4C)cc3=O)s2)cc1 ZINC000041089854 525842647 /nfs/dbraw/zinc/84/26/47/525842647.db2.gz KEFRGXHWCMHGHU-UHFFFAOYSA-N 0 0 434.521 3.438 50 0 IGAARN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1SCC(=O)Nc1ccccc1 ZINC000032947258 525844157 /nfs/dbraw/zinc/84/41/57/525844157.db2.gz TUWZHXZCADUQQJ-GFCCVEGCSA-N 0 0 448.342 3.271 50 0 IGAARN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1 ZINC000012773855 525891605 /nfs/dbraw/zinc/89/16/05/525891605.db2.gz STBBYVJINWCTSZ-AYSNPGFJSA-N 0 0 438.568 3.442 50 0 IGAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)cc1 ZINC000012594559 525893045 /nfs/dbraw/zinc/89/30/45/525893045.db2.gz KDGMVVCCEIKQDD-LJQANCHMSA-N 0 0 428.583 3.455 50 0 IGAARN COc1cccc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000021785994 525904465 /nfs/dbraw/zinc/90/44/65/525904465.db2.gz AFDHSPCHXFWJLJ-LJQANCHMSA-N 0 0 440.521 3.488 50 0 IGAARN COc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)Cn3cccn3)CC2)c1 ZINC000014995962 525905142 /nfs/dbraw/zinc/90/51/42/525905142.db2.gz AXUUHYVVGCTKCR-UHFFFAOYSA-N 0 0 444.539 3.285 50 0 IGAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4cc5ccccc5[nH]4)CC3)ccc2=O)cc1 ZINC000035426620 525928733 /nfs/dbraw/zinc/92/87/33/525928733.db2.gz SYLGWBAJZAAPSA-UHFFFAOYSA-N 0 0 427.508 3.375 50 0 IGAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000012310221 525934673 /nfs/dbraw/zinc/93/46/73/525934673.db2.gz AUVSEDLLZIWJLN-UHFFFAOYSA-N 0 0 447.930 3.064 50 0 IGAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000015787029 525935273 /nfs/dbraw/zinc/93/52/73/525935273.db2.gz CRBSNXAHUYOKRE-UHFFFAOYSA-N 0 0 439.878 3.308 50 0 IGAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCCc1ccc(C)cc1)nc2C ZINC000020563539 525936986 /nfs/dbraw/zinc/93/69/86/525936986.db2.gz WLXZYLGVTQXCQB-UHFFFAOYSA-N 0 0 429.524 3.256 50 0 IGAARN COc1cccc(CN2C[C@@H](C(=O)N3CCC(OCc4ccccn4)CC3)CCC2=O)c1 ZINC000012318360 525955692 /nfs/dbraw/zinc/95/56/92/525955692.db2.gz KALQKPHVMKZKJN-FQEVSTJZSA-N 0 0 437.540 3.037 50 0 IGAARN C[C@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021935619 525971692 /nfs/dbraw/zinc/97/16/92/525971692.db2.gz FHHLQSFPPDVLNY-OLZOCXBDSA-N 0 0 436.493 3.197 50 0 IGAARN CSc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000032987629 525996503 /nfs/dbraw/zinc/99/65/03/525996503.db2.gz BKZTVNNCSRUBKC-UHFFFAOYSA-N 0 0 446.529 3.484 50 0 IGAARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000023643155 526011522 /nfs/dbraw/zinc/01/15/22/526011522.db2.gz REVUAMUVSGMSHE-LLVKDONJSA-N 0 0 438.556 3.168 50 0 IGAARN CSc1ccc(Cl)c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000012617575 526011680 /nfs/dbraw/zinc/01/16/80/526011680.db2.gz DSQYXHDNBBEOBX-UHFFFAOYSA-N 0 0 434.974 3.089 50 0 IGAARN C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012590659 526018873 /nfs/dbraw/zinc/01/88/73/526018873.db2.gz PRBDSEDRWQWCJD-JTQLQIEISA-N 0 0 425.392 3.386 50 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O=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000000678346 555536085 /nfs/dbraw/zinc/53/60/85/555536085.db2.gz PQDSLWSIZBTHRV-UHFFFAOYSA-N 0 0 432.432 3.004 50 0 IGAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1)c1ccccc1 ZINC000000706966 555544952 /nfs/dbraw/zinc/54/49/52/555544952.db2.gz KNCPITFLKNEESI-UHFFFAOYSA-N 0 0 438.505 3.062 50 0 IGAARN COC(=O)C1=CN([C@H](CC(C)C)C(=O)OC)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000000781676 555555479 /nfs/dbraw/zinc/55/54/79/555555479.db2.gz FJJAXKFWHPMMGD-GOSISDBHSA-N 0 0 435.904 3.441 50 0 IGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000795304 555558023 /nfs/dbraw/zinc/55/80/23/555558023.db2.gz RKPHZGSRNCGZBX-UHFFFAOYSA-N 0 0 438.933 3.157 50 0 IGAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000000802951 555559443 /nfs/dbraw/zinc/55/94/43/555559443.db2.gz ODLZLFXFUQMYGA-UHFFFAOYSA-N 0 0 445.928 3.255 50 0 IGAARN COc1ccc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000000824428 555564845 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434.374 3.053 50 0 IGAARN Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1S(N)(=O)=O ZINC000000873260 555575922 /nfs/dbraw/zinc/57/59/22/555575922.db2.gz LEAXYXIYIYPARN-UHFFFAOYSA-N 0 0 433.493 3.095 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000000877305 555576475 /nfs/dbraw/zinc/57/64/75/555576475.db2.gz LXIGNJJIUPVARP-UHFFFAOYSA-N 0 0 433.313 3.415 50 0 IGAARN CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000889766 555579515 /nfs/dbraw/zinc/57/95/15/555579515.db2.gz GAPCBCXQNKBXCE-UHFFFAOYSA-N 0 0 439.537 3.300 50 0 IGAARN COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC ZINC000009540152 555580055 /nfs/dbraw/zinc/58/00/55/555580055.db2.gz WPVNEYPXUMGDSE-UXBLZVDNSA-N 0 0 435.423 3.221 50 0 IGAARN Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000009632997 555585393 /nfs/dbraw/zinc/58/53/93/555585393.db2.gz DHNOSTZQAPKIMI-OUKQBFOZSA-N 0 0 425.872 3.333 50 0 IGAARN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000947829 555588579 /nfs/dbraw/zinc/58/85/79/555588579.db2.gz OWBAIJHXJULMDF-FQEVSTJZSA-N 0 0 442.562 3.189 50 0 biogenic,in-vitro IGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1Br ZINC000000955878 555590364 /nfs/dbraw/zinc/59/03/64/555590364.db2.gz DQHNFGMWTPJUMX-KRWDZBQOSA-N 0 0 441.289 3.372 50 0 IGAARN CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC(SCc3ccccc3Cl)=NC2=N1 ZINC000000958573 555590662 /nfs/dbraw/zinc/59/06/62/555590662.db2.gz VHNFLVDMYRUBRO-KRWDZBQOSA-N 0 0 427.917 3.325 50 0 IGAARN Cc1c(Nc2nc3nonc3nc2Nc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001022761 555603971 /nfs/dbraw/zinc/60/39/71/555603971.db2.gz PJFHNKKDSNQTPS-UHFFFAOYSA-N 0 0 432.419 3.437 50 0 IGAARN CC(C)(C)OC(=O)N1CCCN(C(=O)C2=CN3C=C(C(F)(F)F)C=C(Cl)[C@@H]3N2)CC1 ZINC000001048489 555611739 /nfs/dbraw/zinc/61/17/39/555611739.db2.gz PIHAVOGEHKQWSH-OAHLLOKOSA-N 0 0 448.873 3.111 50 0 IGAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000001074916 555623588 /nfs/dbraw/zinc/62/35/88/555623588.db2.gz 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CNVZMEAFOLNQRD-UHFFFAOYSA-N 0 0 448.548 3.216 50 0 IGAARN CC[C@H](C)N(C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000032741737 556303348 /nfs/dbraw/zinc/30/33/48/556303348.db2.gz YTXPLLMYAVLJHL-BBRMVZONSA-N 0 0 425.551 3.122 50 0 IGAARN O=C(CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1F ZINC000009830444 556311026 /nfs/dbraw/zinc/31/10/26/556311026.db2.gz XVMQBNIFABWBTB-ZDUSSCGKSA-N 0 0 448.907 3.494 50 0 IGAARN CCCn1nnnc1COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000032745447 556315234 /nfs/dbraw/zinc/31/52/34/556315234.db2.gz FAFLCKUFYRBZHJ-NZQKXSOJSA-N 0 0 449.511 3.319 50 0 IGAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000032748263 556317013 /nfs/dbraw/zinc/31/70/13/556317013.db2.gz UMWSBUROLRRGAE-OAQYLSRUSA-N 0 0 449.542 3.360 50 0 IGAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1 ZINC000013847539 556319517 /nfs/dbraw/zinc/31/95/17/556319517.db2.gz GHFFWOYSUGQPLL-UHFFFAOYSA-N 0 0 429.542 3.108 50 0 IGAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000010011606 556322447 /nfs/dbraw/zinc/32/24/47/556322447.db2.gz IYUHSJDKDUWYDB-UHFFFAOYSA-N 0 0 429.523 3.193 50 0 IGAARN NS(=O)(=O)Nc1cccc(CNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c1 ZINC000032754048 556323196 /nfs/dbraw/zinc/32/31/96/556323196.db2.gz IVEXXSDKOKAEOB-UHFFFAOYSA-N 0 0 434.521 3.240 50 0 IGAARN CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 ZINC000032755453 556324734 /nfs/dbraw/zinc/32/47/34/556324734.db2.gz RHAGTHOYCMHBIN-GOSISDBHSA-N 0 0 441.553 3.342 50 0 IGAARN CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 ZINC000032757090 556324739 /nfs/dbraw/zinc/32/47/39/556324739.db2.gz MQRODKALHWDUPO-UHFFFAOYSA-N 0 0 429.567 3.231 50 0 IGAARN CC1CCC(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)CC1 ZINC000032777621 556330867 /nfs/dbraw/zinc/33/08/67/556330867.db2.gz DDHSUSLIKFYLLK-UHFFFAOYSA-N 0 0 444.601 3.229 50 0 IGAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000032764437 556331582 /nfs/dbraw/zinc/33/15/82/556331582.db2.gz VLCMCZHKCXOUPL-UHFFFAOYSA-N 0 0 427.932 3.305 50 0 IGAARN O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1nc2cc3c(cc2s1)OCCCO3 ZINC000032765719 556332773 /nfs/dbraw/zinc/33/27/73/556332773.db2.gz ODRVWZSSTJWVCS-UHFFFAOYSA-N 0 0 430.511 3.444 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)OC)c2)c(Br)c1 ZINC000032770597 556334534 /nfs/dbraw/zinc/33/45/34/556334534.db2.gz RWNUCQNQXPYCSM-UHFFFAOYSA-N 0 0 443.271 3.180 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)c(Br)c1 ZINC000032770603 556334555 /nfs/dbraw/zinc/33/45/55/556334555.db2.gz DMBLLLMJTAGFOR-UHFFFAOYSA-N 0 0 442.331 3.455 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)c(Br)c1 ZINC000032771298 556335235 /nfs/dbraw/zinc/33/52/35/556335235.db2.gz BQEIFCYSRRWXFZ-OAHLLOKOSA-N 0 0 443.319 3.448 50 0 IGAARN C[C@@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2NC1=O ZINC000032772875 556335674 /nfs/dbraw/zinc/33/56/74/556335674.db2.gz QOVIYOBXTZBZRN-RYUDHWBXSA-N 0 0 433.386 3.416 50 0 IGAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1OC ZINC000032776275 556337351 /nfs/dbraw/zinc/33/73/51/556337351.db2.gz REOBFACYDARIQE-AEFFLSMTSA-N 0 0 433.574 3.493 50 0 IGAARN Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nnc1C(F)(F)F ZINC000032564037 556338222 /nfs/dbraw/zinc/33/82/22/556338222.db2.gz GVIJHUCHJSJDBU-CYBMUJFWSA-N 0 0 442.463 3.451 50 0 IGAARN Cc1ccccc1Cc1c(C(=O)NCc2ccon2)c(=O)cc(C)n1Cc1ccncc1 ZINC000011787485 556354169 /nfs/dbraw/zinc/35/41/69/556354169.db2.gz QIACHNZPIDGXAD-UHFFFAOYSA-N 0 0 428.492 3.417 50 0 IGAARN CCCc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc5ccccn54)CC3)CC2=O)cc1 ZINC000032795849 556358106 /nfs/dbraw/zinc/35/81/06/556358106.db2.gz GCRLYDJIVAGJIB-FQEVSTJZSA-N 0 0 431.540 3.441 50 0 IGAARN CCCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1ccco1 ZINC000014060322 556358866 /nfs/dbraw/zinc/35/88/66/556358866.db2.gz URTDPXXLUMBDME-UHFFFAOYSA-N 0 0 434.547 3.146 50 0 IGAARN COc1ccc(CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C2CC2)cc1 ZINC000014065889 556358960 /nfs/dbraw/zinc/35/89/60/556358960.db2.gz ABLUPWUXQKPXQE-UHFFFAOYSA-N 0 0 434.583 3.275 50 0 IGAARN CCOc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCCC1 ZINC000014069313 556360364 /nfs/dbraw/zinc/36/03/64/556360364.db2.gz JRLATNMJGBBPNC-UHFFFAOYSA-N 0 0 440.496 3.135 50 0 IGAARN CC(C)c1ccc([C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2cccs2)cc1 ZINC000032796529 556361339 /nfs/dbraw/zinc/36/13/39/556361339.db2.gz VZRRXIIURNSPLR-HXUWFJFHSA-N 0 0 448.548 3.337 50 0 IGAARN COc1cc(N2C[C@@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)cc(OC)c1OC ZINC000032796440 556361509 /nfs/dbraw/zinc/36/15/09/556361509.db2.gz OHMRFICDFDVNKL-LBPRGKRZSA-N 0 0 436.411 3.305 50 0 IGAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000011840251 556364832 /nfs/dbraw/zinc/36/48/32/556364832.db2.gz WVYQZGRNPXLKHC-VWLOTQADSA-N 0 0 435.524 3.460 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000014124882 556373224 /nfs/dbraw/zinc/37/32/24/556373224.db2.gz KAZFSIHYITWHMK-HXUWFJFHSA-N 0 0 446.594 3.449 50 0 IGAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NCC(C)C)nnc2N2CCCC2)cc1 ZINC000014133040 556374830 /nfs/dbraw/zinc/37/48/30/556374830.db2.gz ZPUYBAHADYBGPN-INIZCTEOSA-N 0 0 430.578 3.138 50 0 IGAARN C/C=C(\C)C(=O)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 ZINC000011912550 556375541 /nfs/dbraw/zinc/37/55/41/556375541.db2.gz PRJSADOBTAGPFU-NJHGVTGSSA-N 0 0 438.553 3.295 50 0 IGAARN COc1cc(CNC(=O)Cn2nnc(-c3cccs3)n2)ccc1OCc1ccccc1 ZINC000014157579 556377861 /nfs/dbraw/zinc/37/78/61/556377861.db2.gz AMHRKTBSGUXEJH-UHFFFAOYSA-N 0 0 435.509 3.306 50 0 IGAARN CCOC(=O)c1sc(NC(=O)CN2CCc3ccccc3C2)c(C(=O)OCC)c1C ZINC000014162101 556378578 /nfs/dbraw/zinc/37/85/78/556378578.db2.gz KKSNOOPHGDIZSK-UHFFFAOYSA-N 0 0 430.526 3.407 50 0 IGAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cc(CC(C)C)on2)C3)nn1 ZINC000011965815 556381878 /nfs/dbraw/zinc/38/18/78/556381878.db2.gz OHPFNMRTFPQGGU-MRXNPFEDSA-N 0 0 426.448 3.211 50 0 IGAARN CN(Cc1noc(-c2ccccc2)n1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011996993 556384243 /nfs/dbraw/zinc/38/42/43/556384243.db2.gz JKWNOBRYEYUFGA-LJQANCHMSA-N 0 0 436.487 3.315 50 0 IGAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1C ZINC000014184813 556384774 /nfs/dbraw/zinc/38/47/74/556384774.db2.gz WAZBAUAZIPCEMY-DMZKTXOQSA-N 0 0 433.455 3.240 50 0 IGAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COCc1ccccc1F ZINC000014188980 556387227 /nfs/dbraw/zinc/38/72/27/556387227.db2.gz UABNKQAUWGVMHJ-NRFANRHFSA-N 0 0 434.467 3.199 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H](C)O1 ZINC000014196686 556388492 /nfs/dbraw/zinc/38/84/92/556388492.db2.gz PVFLPQNJJCXMHJ-IAGOWNOFSA-N 0 0 446.598 3.387 50 0 IGAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000014198260 556389414 /nfs/dbraw/zinc/38/94/14/556389414.db2.gz MORJWJAJEYASDP-UHFFFAOYSA-N 0 0 447.582 3.201 50 0 IGAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000014198195 556389490 /nfs/dbraw/zinc/38/94/90/556389490.db2.gz UXCVIPHHASOQKT-VWLOTQADSA-N 0 0 448.523 3.172 50 0 IGAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 ZINC000014199600 556390268 /nfs/dbraw/zinc/39/02/68/556390268.db2.gz OVVHZMXRWZKJJH-OFVILXPXSA-N 0 0 434.467 3.255 50 0 IGAARN CCn1c(CN2CCCCCC2=O)nnc1SC[C@H](O)COc1ccc(Cl)cc1 ZINC000014202106 556392328 /nfs/dbraw/zinc/39/23/28/556392328.db2.gz ZACSWZYESSQWMK-MRXNPFEDSA-N 0 0 438.981 3.386 50 0 IGAARN O=C(NCCCn1cccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012054390 556393538 /nfs/dbraw/zinc/39/35/38/556393538.db2.gz PNSXBDSJINPFPZ-FQEVSTJZSA-N 0 0 430.556 3.252 50 0 IGAARN COc1ccc(-n2c(CNC(=O)c3cccc(N4CCCC4=O)c3)nnc2SC)cc1 ZINC000012078269 556398275 /nfs/dbraw/zinc/39/82/75/556398275.db2.gz NODRIWRDKZADTP-UHFFFAOYSA-N 0 0 437.525 3.055 50 0 IGAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000014231848 556398322 /nfs/dbraw/zinc/39/83/22/556398322.db2.gz ULSDZAQHUQQYOI-QFIPXVFZSA-N 0 0 435.524 3.473 50 0 IGAARN CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000014232991 556398628 /nfs/dbraw/zinc/39/86/28/556398628.db2.gz MXUUEJWNXDYCAW-BFDGSKQISA-N 0 0 443.544 3.162 50 0 IGAARN CC(=O)CCc1ccc(OC[C@@H](O)CSc2nnnn2-c2c(C)cccc2C)cc1 ZINC000014238316 556400249 /nfs/dbraw/zinc/40/02/49/556400249.db2.gz UABHRDNYMOKHMR-LJQANCHMSA-N 0 0 426.542 3.333 50 0 IGAARN O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000032814693 556400295 /nfs/dbraw/zinc/40/02/95/556400295.db2.gz UWIUERMMWRHHEB-UHFFFAOYSA-N 0 0 435.402 3.345 50 0 IGAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000014242619 556403243 /nfs/dbraw/zinc/40/32/43/556403243.db2.gz ACZRQTJLUYEODS-QFIPXVFZSA-N 0 0 441.487 3.390 50 0 IGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccc(F)cc3)s1)C2=O ZINC000014245559 556405208 /nfs/dbraw/zinc/40/52/08/556405208.db2.gz YVYCPYIULHEUQP-YEJXKQKISA-N 0 0 430.505 3.312 50 0 IGAARN C[C@H](OC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)C(=O)N1CCCCCC1 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CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000027743638 557272251 /nfs/dbraw/zinc/27/22/51/557272251.db2.gz IQHPIIWZZVYRRX-UHFFFAOYSA-N 0 0 425.091 3.202 50 0 IGAARN COc1ccccc1N1CCN(Cc2coc(=O)c(C[NH+]3CCCCCC3)c2[O-])CC1 ZINC000101372077 557278820 /nfs/dbraw/zinc/27/88/20/557278820.db2.gz NDAPSQXEOLDDAY-UHFFFAOYSA-N 0 0 427.545 3.052 50 0 IGAARN C[C@@H](NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000031179067 557283470 /nfs/dbraw/zinc/28/34/70/557283470.db2.gz XMDZOVNNOUYDHX-UKRRQHHQSA-N 0 0 445.368 3.453 50 0 IGAARN CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101412864 557284425 /nfs/dbraw/zinc/28/44/25/557284425.db2.gz VSEDSEJRMWHEJN-YRKFHGTDSA-N 0 0 429.520 3.297 50 0 IGAARN COC[C@@H](O)CNC(=O)CC1=C(C)/C(=C\c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 ZINC000101476729 557287812 /nfs/dbraw/zinc/28/78/12/557287812.db2.gz DXUCAZUDCZIOBX-BQLKBANUSA-N 0 0 443.540 3.404 50 0 IGAARN 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CCOC(=O)c1cc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000023436225 557354228 /nfs/dbraw/zinc/35/42/28/557354228.db2.gz YHXXWQWOZWJBHG-UHFFFAOYSA-N 0 0 448.523 3.393 50 0 IGAARN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(CCOc3ccc(Cl)cc3)CC1)C2=O ZINC000024439959 557356996 /nfs/dbraw/zinc/35/69/96/557356996.db2.gz SXNSNNKHXVKQGX-QZTJIDSGSA-N 0 0 448.995 3.041 50 0 IGAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1ccccc1 ZINC000023457239 557362896 /nfs/dbraw/zinc/36/28/96/557362896.db2.gz OCONGAYNZHQQLI-UHFFFAOYSA-N 0 0 430.487 3.125 50 0 IGAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Cc4nc(-c5ccccc5F)no4)C3)nc2n1 ZINC000220705138 557364964 /nfs/dbraw/zinc/36/49/64/557364964.db2.gz ZIMCOGJQRPQRBI-HNNXBMFYSA-N 0 0 435.463 3.025 50 0 IGAARN COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(NC(C)=O)c(Cl)c3)C2=O)cc1OC ZINC000102701279 557365702 /nfs/dbraw/zinc/36/57/02/557365702.db2.gz GSRZBZKEVAVHDW-SFHVURJKSA-N 0 0 445.903 3.098 50 0 IGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@]2(C)Cc3ccc(Cl)cc3C(=O)O2)c1 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COc1ccc(-n2c(=O)cc(O)nc2SCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000104106918 557450412 /nfs/dbraw/zinc/45/04/12/557450412.db2.gz RMAFZBKOIPFKFC-CYBMUJFWSA-N 0 0 429.473 3.064 50 0 IGAARN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000046815226 557512997 /nfs/dbraw/zinc/51/29/97/557512997.db2.gz BHIVDJGNZFLMRG-UHFFFAOYSA-N 0 0 433.487 3.079 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=S)NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000003313759 557525044 /nfs/dbraw/zinc/52/50/44/557525044.db2.gz HIJVVYVZEKJGFZ-JTQLQIEISA-N 0 0 433.755 3.392 50 0 IGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000106411510 557529254 /nfs/dbraw/zinc/52/92/54/557529254.db2.gz TYTQHLSCFTYICR-QYZOEREBSA-N 0 0 448.585 3.324 50 0 IGAARN O=C(Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)NCCC1=CCCCC1 ZINC000044839485 557539109 /nfs/dbraw/zinc/53/91/09/557539109.db2.gz USMVTUQCPQDPMM-UHFFFAOYSA-N 0 0 431.536 3.413 50 0 IGAARN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C)c1nc2ccccc2[nH]1 ZINC000044901884 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ZINC000225829442 557782219 /nfs/dbraw/zinc/78/22/19/557782219.db2.gz RQMCHRRPBPZUIF-UHFFFAOYSA-N 0 0 440.150 3.210 50 0 IGAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000018520504 557811346 /nfs/dbraw/zinc/81/13/46/557811346.db2.gz LXKTVUAGVIWZNU-BBRMVZONSA-N 0 0 434.876 3.425 50 0 IGAARN Cc1cc(C)c2c(n1)sc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c2-n1cccc1 ZINC000018523219 557828877 /nfs/dbraw/zinc/82/88/77/557828877.db2.gz YYTDIUFGMJAEHA-CQSZACIVSA-N 0 0 428.514 3.483 50 0 IGAARN COc1ccc(Cl)cc1COC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000018530130 557829281 /nfs/dbraw/zinc/82/92/81/557829281.db2.gz JWEQKXAKDCBSEF-INIZCTEOSA-N 0 0 434.901 3.005 50 0 IGAARN CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000239287339 557843627 /nfs/dbraw/zinc/84/36/27/557843627.db2.gz CQAILSXGLKOREC-XAISMOLKSA-N 0 0 447.572 3.476 50 0 IGAARN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000241586430 557846697 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430.545 3.074 50 0 IGAARN C[C@@H]1CN(Cc2csc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)n2)C[C@H](C)O1 ZINC000025059394 557862550 /nfs/dbraw/zinc/86/25/50/557862550.db2.gz HLNSJNIPRHLHNU-IYBDPMFKSA-N 0 0 428.558 3.060 50 0 IGAARN COc1ccc(-c2nc(CSc3nc4c(nc(C)[nH]c4=O)n3C)c(C)o2)cc1OC ZINC000019625864 560094084 /nfs/dbraw/zinc/09/40/84/560094084.db2.gz NJWNAPZNQCBEIO-UHFFFAOYSA-N 0 0 427.486 3.238 50 0 biogenic,in-vitro IGAARN CCOC(=O)[C@@](NC(=O)N(C1=NC[C@@H](C)S1)C1CCCCC1)(OC)C(F)(F)F ZINC000001659529 562924221 /nfs/dbraw/zinc/92/42/21/562924221.db2.gz RBVQLKSRTDJHBW-BDJLRTHQSA-N 0 0 425.473 3.290 50 0 IGAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 ZINC000002341782 562927037 /nfs/dbraw/zinc/92/70/37/562927037.db2.gz CWRNOBNCWAFQFJ-CYBMUJFWSA-N 0 0 436.468 3.365 50 0 IGAARN O=S(=O)(c1ccc(Br)cc1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000002455702 562927869 /nfs/dbraw/zinc/92/78/69/562927869.db2.gz RWUDKWPOODXSMH-UHFFFAOYSA-N 0 0 427.339 3.485 50 0 IGAARN 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C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012979196 568891898 /nfs/dbraw/zinc/89/18/98/568891898.db2.gz IMINDVDWMFFKLD-HNNXBMFYSA-N 0 0 439.468 3.230 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCCC[C@H]1CC ZINC000006341831 568892899 /nfs/dbraw/zinc/89/28/99/568892899.db2.gz FGGNGTMVTJHDQN-OAHLLOKOSA-N 0 0 438.619 3.367 50 0 IGAARN NC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)cc1 ZINC000035590130 568893398 /nfs/dbraw/zinc/89/33/98/568893398.db2.gz RHQILNWJYIDSMQ-UHFFFAOYSA-N 0 0 434.528 3.073 50 0 IGAARN CC(C)[C@@H](NC(=O)CSc1nnc(C(F)(F)F)n1C)c1ccc2c(c1)OCCO2 ZINC000012987782 568895136 /nfs/dbraw/zinc/89/51/36/568895136.db2.gz BGMLSVMWFRNQSW-OAHLLOKOSA-N 0 0 430.452 3.211 50 0 IGAARN CCOC(=O)C1=C(CN(C)[C@H](C)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013009232 568899758 /nfs/dbraw/zinc/89/97/58/568899758.db2.gz KKBZULMQULVYLH-QVKFZJNVSA-N 0 0 427.501 3.461 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(NC(=O)C(C)C)c2)s1 ZINC000013012929 568901196 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COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)cc1 ZINC000065271746 569128623 /nfs/dbraw/zinc/12/86/23/569128623.db2.gz QLQZTLPBKKEJKW-QGZVFWFLSA-N 0 0 435.509 3.138 50 0 IGAARN C=C1C(N2CCC(NC(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271844 569128729 /nfs/dbraw/zinc/12/87/29/569128729.db2.gz KZSLSBZSIWHVER-INIZCTEOSA-N 0 0 432.590 3.338 50 0 IGAARN COCCNC(=O)C1CCN(c2nc3ccc(-c4cccc(OC)c4)nc3s2)CC1 ZINC000065272069 569129014 /nfs/dbraw/zinc/12/90/14/569129014.db2.gz YGNSEHOYLMUSMO-UHFFFAOYSA-N 0 0 426.542 3.346 50 0 IGAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)c1 ZINC000065272916 569129218 /nfs/dbraw/zinc/12/92/18/569129218.db2.gz URWWOYNCOKSSOX-OAHLLOKOSA-N 0 0 428.554 3.423 50 0 IGAARN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1Cl ZINC000065273272 569129331 /nfs/dbraw/zinc/12/93/31/569129331.db2.gz QALLWHUQORDFHW-CQSZACIVSA-N 0 0 448.976 3.217 50 0 IGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc4c2CCCC4)CC3)CC1 ZINC000065273289 569129356 /nfs/dbraw/zinc/12/93/56/569129356.db2.gz WTLSOMPIUPBXJC-SFHVURJKSA-N 0 0 438.597 3.434 50 0 IGAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC3)CC1 ZINC000065273339 569129397 /nfs/dbraw/zinc/12/93/97/569129397.db2.gz XCMHYEGIHGDHMP-ZDUSSCGKSA-N 0 0 436.940 3.348 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(F)cc2C)CC3)CC1 ZINC000065273519 569129580 /nfs/dbraw/zinc/12/95/80/569129580.db2.gz XAYLWNBKFLAKAZ-HNNXBMFYSA-N 0 0 430.549 3.393 50 0 IGAARN Cc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1 ZINC000065273600 569129720 /nfs/dbraw/zinc/12/97/20/569129720.db2.gz SUGXHFZZYKBYIT-QGZVFWFLSA-N 0 0 426.586 3.500 50 0 IGAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCC2CCCCC2)CC3)CC1 ZINC000065273682 569129988 /nfs/dbraw/zinc/12/99/88/569129988.db2.gz VSRCQWRCYZBQDR-GOSISDBHSA-N 0 0 432.634 3.249 50 0 IGAARN O=C(Nc1ccc(F)cc1)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273721 569129990 /nfs/dbraw/zinc/12/99/90/569129990.db2.gz STFSOWBHIHBCKO-INIZCTEOSA-N 0 0 442.560 3.475 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2Cc2ccccc2F)c1=O ZINC000036662972 569130327 /nfs/dbraw/zinc/13/03/27/569130327.db2.gz JEYBEHHMDSUSAY-UHFFFAOYSA-N 0 0 441.850 3.081 50 0 IGAARN CC(C)Cn1c2ccccc2n2nc(C(=O)NCCN3CCc4ccccc4C3)cc2c1=O ZINC000065292432 569130716 /nfs/dbraw/zinc/13/07/16/569130716.db2.gz OJXJSGUBZIDIFN-UHFFFAOYSA-N 0 0 443.551 3.093 50 0 IGAARN Cc1oc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1 ZINC000065293833 569131043 /nfs/dbraw/zinc/13/10/43/569131043.db2.gz IYUPONXDIGIRBJ-UHFFFAOYSA-N 0 0 445.463 3.352 50 0 IGAARN Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4ccc(F)c(Cl)c4)c3=O)n2)cc1 ZINC000065308097 569132628 /nfs/dbraw/zinc/13/26/28/569132628.db2.gz DVXYIDUWYMQKNA-UHFFFAOYSA-N 0 0 426.839 3.374 50 0 IGAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307877 569132707 /nfs/dbraw/zinc/13/27/07/569132707.db2.gz QGKFOHWSPQKNRT-UHFFFAOYSA-N 0 0 438.438 3.477 50 0 IGAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)CC1 ZINC000065315277 569133862 /nfs/dbraw/zinc/13/38/62/569133862.db2.gz MLUFDDKRAJTQPZ-UHFFFAOYSA-N 0 0 431.537 3.089 50 0 IGAARN Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)c4c3[C@H](c3cccs3)CC(=O)N4)CC2=O)cc1 ZINC000036705660 569134401 /nfs/dbraw/zinc/13/44/01/569134401.db2.gz IGUBOPNWLOAPRQ-ZBFHGGJFSA-N 0 0 449.536 3.256 50 0 IGAARN O=C(NC1CCCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319148 569134718 /nfs/dbraw/zinc/13/47/18/569134718.db2.gz PIGASLFGAGUJHQ-UHFFFAOYSA-N 0 0 432.546 3.364 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1F ZINC000036700448 569135400 /nfs/dbraw/zinc/13/54/00/569135400.db2.gz QSQHCCAHNOKWIH-QFIPXVFZSA-N 0 0 436.549 3.356 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c(OC)c1 ZINC000065314044 569135512 /nfs/dbraw/zinc/13/55/12/569135512.db2.gz XOHAIDBYPOPMGS-IBGZPJMESA-N 0 0 448.523 3.164 50 0 IGAARN Cc1cccc(C)c1NC(=O)CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1 ZINC000065314730 569135553 /nfs/dbraw/zinc/13/55/53/569135553.db2.gz XUEAHBQZDROOMV-UHFFFAOYSA-N 0 0 439.585 3.319 50 0 IGAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1OC ZINC000036701702 569135617 /nfs/dbraw/zinc/13/56/17/569135617.db2.gz GBELCMRJYJHUSH-SZFUDVHCSA-N 0 0 437.500 3.352 50 0 IGAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccccc1F ZINC000065319837 569136057 /nfs/dbraw/zinc/13/60/57/569136057.db2.gz BQMNOAWOYFYUBA-UHFFFAOYSA-N 0 0 433.534 3.343 50 0 IGAARN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000065595545 569140067 /nfs/dbraw/zinc/14/00/67/569140067.db2.gz GRTSGMPGLXSAPW-QGZVFWFLSA-N 0 0 447.586 3.389 50 0 IGAARN Cc1nn(CCO)c2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)cc12 ZINC000065614405 569140305 /nfs/dbraw/zinc/14/03/05/569140305.db2.gz CVXLMIHTYNNANT-LLVKDONJSA-N 0 0 437.283 3.223 50 0 IGAARN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000170591875 569141046 /nfs/dbraw/zinc/14/10/46/569141046.db2.gz WOZUDADEUBLSJO-PXDATVDWSA-N 0 0 439.577 3.433 50 0 IGAARN O=C(NCCc1cn2c(n1)SCC2)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000170596869 569141945 /nfs/dbraw/zinc/14/19/45/569141945.db2.gz GYGAMGONVCGEMV-UHFFFAOYSA-N 0 0 440.529 3.410 50 0 IGAARN CC(C)N(CCOCCNC(=O)[C@@H](C)Oc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1 ZINC000170607629 569144292 /nfs/dbraw/zinc/14/42/92/569144292.db2.gz BXGDCTBPTQFFJZ-NHCUHLMSSA-N 0 0 442.556 3.291 50 0 IGAARN CCOC(=O)[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614374 569146361 /nfs/dbraw/zinc/14/63/61/569146361.db2.gz BBWHEAAZLYTYFO-QFIPXVFZSA-N 0 0 437.544 3.439 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(N2C(=O)[C@H](Cc3ccccc3)N(CC)C2=O)cc1 ZINC000170615467 569146493 /nfs/dbraw/zinc/14/64/93/569146493.db2.gz JKJNNDIDNUHJFW-FQEVSTJZSA-N 0 0 429.542 3.117 50 0 IGAARN CCOC(=O)[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1c(C)nn(-c2ccccc2)c1C ZINC000170621443 569147571 /nfs/dbraw/zinc/14/75/71/569147571.db2.gz BNZKVYOGBJUDRO-HSZRJFAPSA-N 0 0 437.544 3.193 50 0 IGAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000170625569 569148537 /nfs/dbraw/zinc/14/85/37/569148537.db2.gz DUDKVRXQFALGJU-INIZCTEOSA-N 0 0 444.923 3.030 50 0 IGAARN CCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000170631034 569148754 /nfs/dbraw/zinc/14/87/54/569148754.db2.gz ZZODWXJPCQMEAA-UHFFFAOYSA-N 0 0 426.513 3.066 50 0 IGAARN CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626822 569148772 /nfs/dbraw/zinc/14/87/72/569148772.db2.gz DZGPBUQWZHGSAO-WMZHIEFXSA-N 0 0 429.586 3.489 50 0 IGAARN COc1cc(OC)c(OC)cc1CNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009870310 569149442 /nfs/dbraw/zinc/14/94/42/569149442.db2.gz OESKYXVBEIVSCG-UHFFFAOYSA-N 0 0 427.501 3.273 50 0 IGAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCc2ccccc21 ZINC000009882670 569149807 /nfs/dbraw/zinc/14/98/07/569149807.db2.gz WFSCOUCTAJHISO-UHFFFAOYSA-N 0 0 441.336 3.217 50 0 IGAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009908892 569150587 /nfs/dbraw/zinc/15/05/87/569150587.db2.gz FPVJSLMFTXYTAM-HOCLYGCPSA-N 0 0 427.551 3.081 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1 ZINC000071287205 569150902 /nfs/dbraw/zinc/15/09/02/569150902.db2.gz RIYLOITXGCRZSY-UHFFFAOYSA-N 0 0 432.524 3.350 50 0 IGAARN COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1S(=O)(=O)N1CCCC1 ZINC000010027578 569151788 /nfs/dbraw/zinc/15/17/88/569151788.db2.gz NWHJPLKKUPFUPO-UHFFFAOYSA-N 0 0 434.514 3.058 50 0 IGAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nnc2N2CCOCC2)cc1 ZINC000010036686 569151920 /nfs/dbraw/zinc/15/19/20/569151920.db2.gz UAZCKUXXGFMHCG-UHFFFAOYSA-N 0 0 438.509 3.116 50 0 IGAARN COc1cn(CC(=O)Nc2cccc3ccccc32)c(CSc2nncn2C)cc1=O ZINC000010254679 569154203 /nfs/dbraw/zinc/15/42/03/569154203.db2.gz OZDDGBWKJJBCJD-UHFFFAOYSA-N 0 0 435.509 3.070 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(C)c4)sc3C2)cc1 ZINC000013360508 569155267 /nfs/dbraw/zinc/15/52/67/569155267.db2.gz NKSHPKLUNMEJCA-UHFFFAOYSA-N 0 0 443.550 3.459 50 0 IGAARN COc1cc(NC(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc(OC)c1 ZINC000013705801 569156713 /nfs/dbraw/zinc/15/67/13/569156713.db2.gz SRUNQGDRTOCHNI-UHFFFAOYSA-N 0 0 434.456 3.009 50 0 IGAARN O=C(COc1cccc(Cl)c1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000013705830 569156725 /nfs/dbraw/zinc/15/67/25/569156725.db2.gz CQIYDPAQGAAREM-UHFFFAOYSA-N 0 0 441.850 3.158 50 0 IGAARN O=C1CCc2cc(S(=O)(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc2N1 ZINC000014099699 569157799 /nfs/dbraw/zinc/15/77/99/569157799.db2.gz QNXHSGBTILPGOL-UHFFFAOYSA-N 0 0 428.432 3.129 50 0 IGAARN COc1cc(OC)c(OC)cc1CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000014168345 569157906 /nfs/dbraw/zinc/15/79/06/569157906.db2.gz ICYYAMFHELPHGA-HXUWFJFHSA-N 0 0 436.455 3.061 50 0 IGAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1 ZINC000014142515 569157913 /nfs/dbraw/zinc/15/79/13/569157913.db2.gz BHKVPAWHWDLVRD-OAHLLOKOSA-N 0 0 449.529 3.120 50 0 IGAARN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)c2ccccc2)CC1 ZINC000014321514 569158651 /nfs/dbraw/zinc/15/86/51/569158651.db2.gz FQCAFUGOZNWGJQ-MRXNPFEDSA-N 0 0 437.496 3.089 50 0 IGAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NCc1ccccc1 ZINC000016843127 569163624 /nfs/dbraw/zinc/16/36/24/569163624.db2.gz LZLKHCPZMJQMTF-UHFFFAOYSA-N 0 0 439.928 3.153 50 0 IGAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016849596 569164494 /nfs/dbraw/zinc/16/44/94/569164494.db2.gz BGRHNUFSLJOARX-UHFFFAOYSA-N 0 0 435.406 3.351 50 0 IGAARN CC(C)c1ccc(OCC(=O)NCCCS(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000016849327 569164544 /nfs/dbraw/zinc/16/45/44/569164544.db2.gz KXPGZRQKDYLOES-UHFFFAOYSA-N 0 0 430.570 3.083 50 0 IGAARN COc1ccc(CNC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000016850424 569164666 /nfs/dbraw/zinc/16/46/66/569164666.db2.gz UYQOLOMUZMKPHE-UHFFFAOYSA-N 0 0 431.539 3.158 50 0 IGAARN O=C(CCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000089875060 569166553 /nfs/dbraw/zinc/16/65/53/569166553.db2.gz HVEVIGQCGARGBF-UHFFFAOYSA-N 0 0 447.557 3.291 50 0 IGAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC000089967728 569169130 /nfs/dbraw/zinc/16/91/30/569169130.db2.gz VLBUGRZJPKRQQN-UHFFFAOYSA-N 0 0 443.305 3.159 50 0 IGAARN Cc1nnc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000014715711 569169535 /nfs/dbraw/zinc/16/95/35/569169535.db2.gz ZDJQJJPNKIXBAX-UHFFFAOYSA-N 0 0 436.946 3.330 50 0 IGAARN Cc1cc(C)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccc3)c2=O)c(C)c1 ZINC000016994125 569169691 /nfs/dbraw/zinc/16/96/91/569169691.db2.gz YIACAOYCSWGFOD-UHFFFAOYSA-N 0 0 428.492 3.170 50 0 IGAARN COc1cc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000017010547 569170235 /nfs/dbraw/zinc/17/02/35/569170235.db2.gz MNISLBUOMXSKGW-KRWDZBQOSA-N 0 0 431.510 3.287 50 0 IGAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1 ZINC000017010960 569170368 /nfs/dbraw/zinc/17/03/68/569170368.db2.gz UZQNDZXJTLZUDO-UHFFFAOYSA-N 0 0 437.569 3.313 50 0 IGAARN CCOC(=O)CCC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C ZINC000037356100 569171399 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O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCc2ccccc2C1 ZINC000009211199 569176024 /nfs/dbraw/zinc/17/60/24/569176024.db2.gz YOXONMVHPDSBID-FQEVSTJZSA-N 0 0 430.556 3.354 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002095973 569179323 /nfs/dbraw/zinc/17/93/23/569179323.db2.gz SKJGCAYWTZRNDM-INIZCTEOSA-N 0 0 429.494 3.299 50 0 IGAARN COc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000002533593 569180931 /nfs/dbraw/zinc/18/09/31/569180931.db2.gz INYRIYZLVZKPTO-MHWRWJLKSA-N 0 0 444.310 3.145 50 0 IGAARN Cc1c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000002119766 569182861 /nfs/dbraw/zinc/18/28/61/569182861.db2.gz ZDLMPFXPJPWXPS-UHFFFAOYSA-N 0 0 448.519 3.103 50 0 IGAARN O=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2[C@@]12O[C@@H]1CCCC[C@@H]1O2 ZINC000252430842 569183455 /nfs/dbraw/zinc/18/34/55/569183455.db2.gz NWXDETRUVRPHDP-FVRPBGSPSA-N 0 0 437.515 3.463 50 0 IGAARN COCC(=O)N(C)Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1F)CC2 ZINC000037377935 569186918 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449.627 3.123 50 0 IGAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCc3cccnc3)CC1)nnc2C ZINC000020564011 525938011 /nfs/dbraw/zinc/93/80/11/525938011.db2.gz JPRIFJGSPZYSTN-UHFFFAOYSA-N 0 0 441.539 3.360 50 0 IGAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000012380674 525940352 /nfs/dbraw/zinc/94/03/52/525940352.db2.gz WHWIFFFHCBTEIJ-OKILXGFUSA-N 0 0 425.312 3.461 50 0 IGAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012799166 525946437 /nfs/dbraw/zinc/94/64/37/525946437.db2.gz DPACDKJIRIHDBR-AWEZNQCLSA-N 0 0 443.352 3.294 50 0 IGAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cc1 ZINC000012683747 525954132 /nfs/dbraw/zinc/95/41/32/525954132.db2.gz OHBWYSHNSMYEHP-QHCPKHFHSA-N 0 0 448.567 3.164 50 0 IGAARN COc1cccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022908088 525961410 /nfs/dbraw/zinc/96/14/10/525961410.db2.gz SOSPSAPJDJGPFC-JOCHJYFZSA-N 0 0 449.576 3.289 50 0 IGAARN COc1cccc(CNC(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1OC 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COc1ccc(Br)cc1CNC(=O)CCn1c2ccccc2nc(C)c1=O ZINC000033005320 556655085 /nfs/dbraw/zinc/65/50/85/556655085.db2.gz NAZVGGDHGVYDIN-UHFFFAOYSA-N 0 0 430.302 3.183 50 0 IGAARN O=S(=O)(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000011796906 556657176 /nfs/dbraw/zinc/65/71/76/556657176.db2.gz FHTHSQPZQFCZAL-UHFFFAOYSA-N 0 0 438.435 3.024 50 0 IGAARN COc1cccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000011826100 556658815 /nfs/dbraw/zinc/65/88/15/556658815.db2.gz LYPSXSBZDIHIOL-JOCHJYFZSA-N 0 0 428.554 3.460 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12 ZINC000100737728 556659199 /nfs/dbraw/zinc/65/91/99/556659199.db2.gz XHGWIFLAYMIMRZ-WBVHZDCISA-N 0 0 446.688 3.426 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC000011835416 556659654 /nfs/dbraw/zinc/65/96/54/556659654.db2.gz JDFHQODFTURULB-UHFFFAOYSA-N 0 0 430.530 3.065 50 0 IGAARN COc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)c(OC)c1 ZINC000033011992 556660536 /nfs/dbraw/zinc/66/05/36/556660536.db2.gz UAVKBYRIXULKQO-UHFFFAOYSA-N 0 0 444.538 3.216 50 0 IGAARN CCOC(=O)CNC(=S)N(Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000017098016 556662556 /nfs/dbraw/zinc/66/25/56/556662556.db2.gz CKAGVKIXBWYCHZ-UHFFFAOYSA-N 0 0 432.542 3.152 50 0 IGAARN Cn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011853008 556662596 /nfs/dbraw/zinc/66/25/96/556662596.db2.gz FZXASYCVEFFKHC-LSDHQDQOSA-N 0 0 433.530 3.295 50 0 IGAARN O=S(=O)(c1ccc(NC(=S)NCCCCc2ccccc2)cc1)N1CCOCC1 ZINC000017098601 556663190 /nfs/dbraw/zinc/66/31/90/556663190.db2.gz BBBQWZSTIYLWCB-UHFFFAOYSA-N 0 0 433.599 3.017 50 0 IGAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000011858278 556663491 /nfs/dbraw/zinc/66/34/91/556663491.db2.gz NWNWPFJWXPGYMA-UHFFFAOYSA-N 0 0 436.555 3.160 50 0 IGAARN CC(C)C(=O)N1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000033015079 556665065 /nfs/dbraw/zinc/66/50/65/556665065.db2.gz GHDLBCMLUIIKMG-QFIPXVFZSA-N 0 0 432.511 3.232 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc(Cl)cc3)CC2)cc1C ZINC000017101852 556666234 /nfs/dbraw/zinc/66/62/34/556666234.db2.gz IKGGTZPQSPVDGK-UHFFFAOYSA-N 0 0 438.018 3.338 50 0 IGAARN COc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)c(OC)c1 ZINC000013514102 556667198 /nfs/dbraw/zinc/66/71/98/556667198.db2.gz DFAFRQAJZKUBMZ-SXGWCWSVSA-N 0 0 444.310 3.145 50 0 IGAARN COc1cc(OC)cc(-c2nc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)no2)c1 ZINC000044417921 556669450 /nfs/dbraw/zinc/66/94/50/556669450.db2.gz KCKNTZHDILZSTI-AWEZNQCLSA-N 0 0 425.441 3.292 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCCC3)CCCC2 ZINC000011905511 556670987 /nfs/dbraw/zinc/67/09/87/556670987.db2.gz BSEPTUQVLUNBAB-UHFFFAOYSA-N 0 0 447.582 3.497 50 0 IGAARN Cc1csc2nc(CSc3nnc(COc4ccc(C(C)C)cc4)n3N)cc(=O)n12 ZINC000017190706 556672210 /nfs/dbraw/zinc/67/22/10/556672210.db2.gz GCSKRUAMIZSABC-UHFFFAOYSA-N 0 0 442.570 3.364 50 0 IGAARN NC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(Cl)cc3)ccc1=O)CCCC2 ZINC000011913931 556673083 /nfs/dbraw/zinc/67/30/83/556673083.db2.gz BDHSARKKAFARNH-UHFFFAOYSA-N 0 0 428.901 3.177 50 0 IGAARN Cc1cc2oc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C ZINC000011915009 556674243 /nfs/dbraw/zinc/67/42/43/556674243.db2.gz IWMVDCTZVOTSQW-GOSISDBHSA-N 0 0 443.496 3.378 50 0 IGAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)c1 ZINC000011917167 556674387 /nfs/dbraw/zinc/67/43/87/556674387.db2.gz VVUFFBNJDAVAAW-HNNXBMFYSA-N 0 0 446.594 3.222 50 0 IGAARN O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032933211 556676644 /nfs/dbraw/zinc/67/66/44/556676644.db2.gz PXUXWZBLLMWFOJ-SFHVURJKSA-N 0 0 437.569 3.061 50 0 IGAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000011997740 556679358 /nfs/dbraw/zinc/67/93/58/556679358.db2.gz LIPPNWPZFGRQFY-UHFFFAOYSA-N 0 0 449.337 3.169 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325465 556679642 /nfs/dbraw/zinc/67/96/42/556679642.db2.gz HGGDQVWOVPFGHH-MRXNPFEDSA-N 0 0 444.538 3.182 50 0 IGAARN COC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325470 556679885 /nfs/dbraw/zinc/67/98/85/556679885.db2.gz JHIWMFGHAZWHOQ-HNNXBMFYSA-N 0 0 445.522 3.010 50 0 IGAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012016156 556681229 /nfs/dbraw/zinc/68/12/29/556681229.db2.gz NLYWJAWUJOEYEE-UHFFFAOYSA-N 0 0 430.935 3.079 50 0 IGAARN O=C(CNC(=O)COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1F ZINC000010626364 556681989 /nfs/dbraw/zinc/68/19/89/556681989.db2.gz MBGPASFJSVBBCB-UHFFFAOYSA-N 0 0 447.413 3.206 50 0 IGAARN COc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1 ZINC000018180690 556685784 /nfs/dbraw/zinc/68/57/84/556685784.db2.gz AJICKGVVUBXOLC-LJQANCHMSA-N 0 0 434.323 3.456 50 0 IGAARN CN1CCN(C(=S)SCc2nc(N)nc(Nc3ccc4ccccc4c3)n2)CC1 ZINC000018180820 556685916 /nfs/dbraw/zinc/68/59/16/556685916.db2.gz AKDMOXXGZJSOPP-UHFFFAOYSA-N 0 0 425.587 3.116 50 0 IGAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000024183370 556688895 /nfs/dbraw/zinc/68/88/95/556688895.db2.gz MEJMCKSIAASKON-UTKZUKDTSA-N 0 0 433.430 3.408 50 0 IGAARN CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)ccc21 ZINC000033023301 556691385 /nfs/dbraw/zinc/69/13/85/556691385.db2.gz KFAMGABYPFXKKN-UHFFFAOYSA-N 0 0 447.605 3.081 50 0 IGAARN Cc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)cc1Cl ZINC000137560380 556696912 /nfs/dbraw/zinc/69/69/12/556696912.db2.gz FGLUDNSHSVKZLU-YQQAZPJKSA-N 0 0 426.881 3.126 50 0 IGAARN COC(=O)c1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000000822636 556699650 /nfs/dbraw/zinc/69/96/50/556699650.db2.gz IAVVPJOLPGLYKO-OQLLNIDSSA-N 0 0 433.201 3.422 50 0 IGAARN Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)s2)c1 ZINC000033027391 556706440 /nfs/dbraw/zinc/70/64/40/556706440.db2.gz KXMRVGRKRIPXQB-UHFFFAOYSA-N 0 0 438.509 3.150 50 0 IGAARN O=c1oc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)cc1-c1ccc(Cl)cc1 ZINC000013691937 556711658 /nfs/dbraw/zinc/71/16/58/556711658.db2.gz QMXCOUZUVHUQNI-INIZCTEOSA-N 0 0 431.897 3.452 50 0 IGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2oc1=O ZINC000072324595 556721940 /nfs/dbraw/zinc/72/19/40/556721940.db2.gz JORFMKVQKGLDSQ-UHFFFAOYSA-N 0 0 438.432 3.158 50 0 IGAARN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1 ZINC000061714942 556723731 /nfs/dbraw/zinc/72/37/31/556723731.db2.gz ZRONDIUIVSNYSD-UHFFFAOYSA-N 0 0 436.512 3.032 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000061718573 556725292 /nfs/dbraw/zinc/72/52/92/556725292.db2.gz DPKRWCSFAZIWPK-HNNXBMFYSA-N 0 0 443.935 3.157 50 0 IGAARN Cc1cccc(NC(=O)COC(=O)COc2ccc(I)cc2)c1C ZINC000072331022 556728627 /nfs/dbraw/zinc/72/86/27/556728627.db2.gz ADLTTZUDQZBRQF-UHFFFAOYSA-N 0 0 439.249 3.469 50 0 IGAARN O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000054254369 556729493 /nfs/dbraw/zinc/72/94/93/556729493.db2.gz SNIKBKQDNWZUDA-UHFFFAOYSA-N 0 0 433.375 3.402 50 0 IGAARN COc1cc(Cl)ccc1C(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000060359475 556731930 /nfs/dbraw/zinc/73/19/30/556731930.db2.gz KWOJLJZLAYQWMB-MRXNPFEDSA-N 0 0 436.961 3.488 50 0 IGAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000005205513 556731975 /nfs/dbraw/zinc/73/19/75/556731975.db2.gz ILJPXWNNVJLDNS-UTKZUKDTSA-N 0 0 429.561 3.028 50 0 IGAARN Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2cc3ccccc3s2)cc1 ZINC000055071588 556733643 /nfs/dbraw/zinc/73/36/43/556733643.db2.gz YFYYUQLNZUETPK-CTNGQTDRSA-N 0 0 432.553 3.328 50 0 IGAARN O=S(=O)(c1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nc1)N1CCCC1 ZINC000078721865 556735447 /nfs/dbraw/zinc/73/54/47/556735447.db2.gz BLMWKNICALGHDX-NRFANRHFSA-N 0 0 435.977 3.470 50 0 IGAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](OCc2cccnc2)C1 ZINC000055131443 556735739 /nfs/dbraw/zinc/73/57/39/556735739.db2.gz CTDOHJVZBGPFLY-GOSISDBHSA-N 0 0 427.936 3.266 50 0 IGAARN CC(C)N1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 ZINC000055224842 556738354 /nfs/dbraw/zinc/73/83/54/556738354.db2.gz QVSSBNFECBKGDS-UHFFFAOYSA-N 0 0 442.567 3.472 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)n1 ZINC000033045150 556742725 /nfs/dbraw/zinc/74/27/25/556742725.db2.gz UOXQJPQMIKUALV-LBPRGKRZSA-N 0 0 431.543 3.109 50 0 IGAARN O=C(Nc1nc2ccc(F)cc2s1)c1c(-c2ccccc2)nc2n1CCS2(=O)=O ZINC000086069019 556744657 /nfs/dbraw/zinc/74/46/57/556744657.db2.gz BQOJDPJNGKFBLS-UHFFFAOYSA-N 0 0 428.470 3.339 50 0 IGAARN N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(O)c(Br)c2)N1)OCCCO4 ZINC000019354124 556744967 /nfs/dbraw/zinc/74/49/67/556744967.db2.gz FNAJAHKXMAKNQM-MRXNPFEDSA-N 0 0 430.262 3.162 50 0 IGAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccc(C(C)C)cc2)n1N ZINC000019357653 556745401 /nfs/dbraw/zinc/74/54/01/556745401.db2.gz ZJFUHKMKKDWUSX-HNNXBMFYSA-N 0 0 443.577 3.164 50 0 IGAARN CCc1ccc(NC(=O)c2nnc(CN3CCC[C@@H](CNC(=O)C(C)C)C3)s2)cc1 ZINC000060361116 556746962 /nfs/dbraw/zinc/74/69/62/556746962.db2.gz FMVWBWIERVTVAJ-KRWDZBQOSA-N 0 0 429.590 3.337 50 0 IGAARN CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O ZINC000005252069 556747304 /nfs/dbraw/zinc/74/73/04/556747304.db2.gz IXDHPRVWWLSIJU-INIZCTEOSA-N 0 0 425.533 3.192 50 0 IGAARN COCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 ZINC000058047219 556755081 /nfs/dbraw/zinc/75/50/81/556755081.db2.gz OEOFTJUCQJQDPF-FQEVSTJZSA-N 0 0 439.493 3.405 50 0 IGAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011154460 556755669 /nfs/dbraw/zinc/75/56/69/556755669.db2.gz OXBNWLPWYIBFSC-UHFFFAOYSA-N 0 0 426.460 3.217 50 0 IGAARN COc1ccc(C2(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)CCCCC2)cc1 ZINC000058062593 556756175 /nfs/dbraw/zinc/75/61/75/556756175.db2.gz AZLLWZVOOBEGSG-UHFFFAOYSA-N 0 0 429.542 3.102 50 0 IGAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000058086182 556756972 /nfs/dbraw/zinc/75/69/72/556756972.db2.gz AFLRKPGCKZVDCH-UHFFFAOYSA-N 0 0 429.970 3.292 50 0 IGAARN O=C(c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000096178648 556759225 /nfs/dbraw/zinc/75/92/25/556759225.db2.gz OYEFOIIHPSWICT-DHIUTWEWSA-N 0 0 431.536 3.324 50 0 IGAARN Cc1ccc([C@H](O)CNC(=O)c2sccc2S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000058133177 556760266 /nfs/dbraw/zinc/76/02/66/556760266.db2.gz UILXCGLMODIBFH-XYJFISCASA-N 0 0 436.599 3.472 50 0 IGAARN Cc1ccc([C@@H](O)CNC(=O)c2sccc2S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000058133169 556760267 /nfs/dbraw/zinc/76/02/67/556760267.db2.gz UILXCGLMODIBFH-JZXOWHBKSA-N 0 0 436.599 3.472 50 0 IGAARN O=C(COc1cc(Cl)ccc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011167296 556760288 /nfs/dbraw/zinc/76/02/88/556760288.db2.gz CWQABBBPWFPIJY-UHFFFAOYSA-N 0 0 443.352 3.342 50 0 IGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096373813 556760512 /nfs/dbraw/zinc/76/05/12/556760512.db2.gz BBMVNOLOYCIUPA-UHFFFAOYSA-N 0 0 447.500 3.474 50 0 IGAARN COC(=O)c1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c2c(cccc2C)n1C ZINC000061947381 556762743 /nfs/dbraw/zinc/76/27/43/556762743.db2.gz HBHWHFBOJKJDGZ-UHFFFAOYSA-N 0 0 438.503 3.173 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1OC ZINC000062006686 556764882 /nfs/dbraw/zinc/76/48/82/556764882.db2.gz RHOHZNZKLSFMBM-UHFFFAOYSA-N 0 0 440.521 3.478 50 0 IGAARN COc1ccc(-c2cn(CC(=O)NCc3ccccc3Cl)nc2N2CCOCC2)cc1 ZINC000062006906 556764887 /nfs/dbraw/zinc/76/48/87/556764887.db2.gz QSFJADSAIAKULB-UHFFFAOYSA-N 0 0 440.931 3.365 50 0 IGAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCC2)C1=O ZINC000058165796 556766533 /nfs/dbraw/zinc/76/65/33/556766533.db2.gz RCGWGILSAFTLME-UHFFFAOYSA-N 0 0 427.332 3.466 50 0 IGAARN O=C(NCc1ccccn1)c1cccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000058166787 556766825 /nfs/dbraw/zinc/76/68/25/556766825.db2.gz IXTCODFKBHEHAG-VXKWHMMOSA-N 0 0 438.528 3.204 50 0 IGAARN CN1CCN(C(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CC(C)(C)CC3=O)CC1 ZINC000019461357 556767528 /nfs/dbraw/zinc/76/75/28/556767528.db2.gz IRACJFKFUUDCMN-UHFFFAOYSA-N 0 0 427.932 3.034 50 0 IGAARN NC(=O)Cn1c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2ccccc2c1=O ZINC000058169356 556767615 /nfs/dbraw/zinc/76/76/15/556767615.db2.gz CXLDDHAUEWOQSN-SFHVURJKSA-N 0 0 433.537 3.219 50 0 IGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1 ZINC000001195883 556767999 /nfs/dbraw/zinc/76/79/99/556767999.db2.gz SKCBYQCCNWGKRK-PGAZUGQPSA-N 0 0 439.467 3.155 50 0 IGAARN CCN(Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)Cc1ccc(OC)c(F)c1 ZINC000058172493 556768507 /nfs/dbraw/zinc/76/85/07/556768507.db2.gz RVIYBQHWXJTWER-UHFFFAOYSA-N 0 0 448.564 3.476 50 0 IGAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCc1ccn(-c2ccccc2)n1 ZINC000058179801 556770060 /nfs/dbraw/zinc/77/00/60/556770060.db2.gz KDEYZAMEHXSCIL-UHFFFAOYSA-N 0 0 447.564 3.272 50 0 IGAARN CN(Cc1nccn1CC(F)(F)F)C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000058304526 556778631 /nfs/dbraw/zinc/77/86/31/556778631.db2.gz LDKYCKDZBIOILF-UHFFFAOYSA-N 0 0 436.390 3.328 50 0 IGAARN CCCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC000058323834 556780635 /nfs/dbraw/zinc/78/06/35/556780635.db2.gz UHISRCPHWJSAIU-UHFFFAOYSA-N 0 0 446.997 3.271 50 0 IGAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000058342713 556781811 /nfs/dbraw/zinc/78/18/11/556781811.db2.gz WFZPSWYZHFBVJI-UHFFFAOYSA-N 0 0 441.509 3.135 50 0 IGAARN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cn1 ZINC000058434716 556788184 /nfs/dbraw/zinc/78/81/84/556788184.db2.gz UJPDXJZMYWXLTQ-UHFFFAOYSA-N 0 0 425.876 3.243 50 0 IGAARN COc1cccc([C@H](C)N(c2cnn(C)c2)S(=O)(=O)c2cccc3nsnc32)c1 ZINC000058440740 556788931 /nfs/dbraw/zinc/78/89/31/556788931.db2.gz LFMIHOPKIOMTEX-ZDUSSCGKSA-N 0 0 429.527 3.390 50 0 IGAARN O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000058527864 556789710 /nfs/dbraw/zinc/78/97/10/556789710.db2.gz MDPCGRTZTYVORD-OAHLLOKOSA-N 0 0 444.372 3.246 50 0 IGAARN COc1cccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000058646212 556791071 /nfs/dbraw/zinc/79/10/71/556791071.db2.gz NFANKMMJJIXRNB-UHFFFAOYSA-N 0 0 427.265 3.316 50 0 IGAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000058761561 556791776 /nfs/dbraw/zinc/79/17/76/556791776.db2.gz BPSUMDRZZCFHSX-NZQKXSOJSA-N 0 0 447.535 3.476 50 0 IGAARN CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058935692 556793134 /nfs/dbraw/zinc/79/31/34/556793134.db2.gz JYSIBJSTHSCIDX-BBRMVZONSA-N 0 0 425.938 3.484 50 0 IGAARN CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)no1 ZINC000058913979 556793148 /nfs/dbraw/zinc/79/31/48/556793148.db2.gz PZLBGPFGLXTHGK-UHFFFAOYSA-N 0 0 433.361 3.180 50 0 IGAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc5ccccc5oc4=O)C3)nn2)n1 ZINC000062164342 556798097 /nfs/dbraw/zinc/79/80/97/556798097.db2.gz GZLMKSNPJIMPGH-GOSISDBHSA-N 0 0 444.495 3.241 50 0 IGAARN CCOCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000002655762 556802902 /nfs/dbraw/zinc/80/29/02/556802902.db2.gz HPESOMBTKKCUFJ-UHFFFAOYSA-N 0 0 433.480 3.299 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000033052798 556803438 /nfs/dbraw/zinc/80/34/38/556803438.db2.gz LYEQORDACNTXOM-UHFFFAOYSA-N 0 0 443.569 3.010 50 0 IGAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000060064335 556806342 /nfs/dbraw/zinc/80/63/42/556806342.db2.gz VURCULYCGPXWJS-OXJNMPFZSA-N 0 0 436.508 3.488 50 0 IGAARN C[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 ZINC000003373286 556813192 /nfs/dbraw/zinc/81/31/92/556813192.db2.gz ZFMCJFMZTPKVFD-HNNXBMFYSA-N 0 0 432.432 3.110 50 0 IGAARN CCOc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000097943880 556814573 /nfs/dbraw/zinc/81/45/73/556814573.db2.gz XOCAIGFGWKTHSN-QHCPKHFHSA-N 0 0 441.915 3.466 50 0 IGAARN CCOc1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097943841 556814584 /nfs/dbraw/zinc/81/45/84/556814584.db2.gz RPSDIDYFURRNAG-HSZRJFAPSA-N 0 0 441.915 3.466 50 0 IGAARN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000097943887 556814929 /nfs/dbraw/zinc/81/49/29/556814929.db2.gz 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CCOc1ccc(-n2ccn3c(CCCC(=O)Nc4ccc(OC)cc4)nnc3c2=O)cc1 ZINC000064591639 556825401 /nfs/dbraw/zinc/82/54/01/556825401.db2.gz JGUDQZGZDWIXGP-UHFFFAOYSA-N 0 0 447.495 3.249 50 0 IGAARN CCOc1ccc(-n2ccn3c(CCCC(=O)N[C@H](C)c4ccccc4)nnc3c2=O)cc1 ZINC000064591660 556825463 /nfs/dbraw/zinc/82/54/63/556825463.db2.gz OENYLWSLWRRZHG-GOSISDBHSA-N 0 0 445.523 3.479 50 0 IGAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019607381 556831320 /nfs/dbraw/zinc/83/13/20/556831320.db2.gz MXHPQDGTUJSDAO-UHFFFAOYSA-N 0 0 437.499 3.197 50 0 IGAARN Cc1c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cnn1C(F)F ZINC000065003258 556831498 /nfs/dbraw/zinc/83/14/98/556831498.db2.gz VYRYIAQAVUKNKK-UHFFFAOYSA-N 0 0 446.479 3.268 50 0 IGAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 ZINC000065363907 556835459 /nfs/dbraw/zinc/83/54/59/556835459.db2.gz FSKZEGJGOMZMQT-SFHVURJKSA-N 0 0 448.527 3.070 50 0 IGAARN Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)c4ccc(C)cc4)c(=O)n3n2)n1 ZINC000062639791 556841402 /nfs/dbraw/zinc/84/14/02/556841402.db2.gz JOPHBBYJRITFIH-UHFFFAOYSA-N 0 0 440.507 3.292 50 0 IGAARN CCc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 ZINC000067245005 556842353 /nfs/dbraw/zinc/84/23/53/556842353.db2.gz KVEADRBDSLDAIL-LJQANCHMSA-N 0 0 437.515 3.162 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000008719428 556843249 /nfs/dbraw/zinc/84/32/49/556843249.db2.gz PWZGTLPASPCUNC-RUDMXATFSA-N 0 0 436.917 3.021 50 0 IGAARN O=C(NCCSCc1ccco1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000008726057 556843400 /nfs/dbraw/zinc/84/34/00/556843400.db2.gz VXOLAWDISFVJMS-UHFFFAOYSA-N 0 0 433.555 3.424 50 0 IGAARN COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2nsc3ccccc32)CC1 ZINC000033070653 556851076 /nfs/dbraw/zinc/85/10/76/556851076.db2.gz PTYLMBRLJOTDHQ-UHFFFAOYSA-N 0 0 430.511 3.134 50 0 IGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1F ZINC000008977182 556852095 /nfs/dbraw/zinc/85/20/95/556852095.db2.gz RULOEUKWEPTPMU-UHFFFAOYSA-N 0 0 430.457 3.427 50 0 IGAARN CCc1cccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=O)c1 ZINC000097675920 556852364 /nfs/dbraw/zinc/85/23/64/556852364.db2.gz LGDYCFHEVLEVOY-XSFVSMFZSA-N 0 0 440.521 3.489 50 0 IGAARN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2sc3[nH]cnc(=O)c3c2C)CC1 ZINC000033073470 556852690 /nfs/dbraw/zinc/85/26/90/556852690.db2.gz WAHZPXCHGBVTRY-UHFFFAOYSA-N 0 0 440.525 3.101 50 0 IGAARN Cc1c(C(=O)N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)sc2nc[nH]c(=O)c12 ZINC000033073505 556852706 /nfs/dbraw/zinc/85/27/06/556852706.db2.gz DGMSOOUAAKWLFX-UHFFFAOYSA-N 0 0 444.944 3.115 50 0 IGAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OCC(C)C ZINC000033088105 556855951 /nfs/dbraw/zinc/85/59/51/556855951.db2.gz CNOIIDJVCAJQEM-MRXNPFEDSA-N 0 0 447.499 3.136 50 0 IGAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000033088146 556856022 /nfs/dbraw/zinc/85/60/22/556856022.db2.gz OLYMJFRLSMINNZ-SFHVURJKSA-N 0 0 429.484 3.414 50 0 IGAARN CC[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033114120 556860949 /nfs/dbraw/zinc/86/09/49/556860949.db2.gz ZQCWKRCEHAUCSS-GFCCVEGCSA-N 0 0 431.518 3.207 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(OC)cc3)n2)cc1 ZINC000033128386 556865613 /nfs/dbraw/zinc/86/56/13/556865613.db2.gz ABSDXYYYVCOKCJ-UHFFFAOYSA-N 0 0 439.493 3.149 50 0 IGAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21 ZINC000033129771 556869003 /nfs/dbraw/zinc/86/90/03/556869003.db2.gz LKHMNTANDBAFEN-UHFFFAOYSA-N 0 0 445.560 3.024 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)cc1OC ZINC000033169419 556884414 /nfs/dbraw/zinc/88/44/14/556884414.db2.gz LELUOWMAZBKXGT-UHFFFAOYSA-N 0 0 429.498 3.322 50 0 IGAARN CC(=O)NCCCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000060535710 556887272 /nfs/dbraw/zinc/88/72/72/556887272.db2.gz JTARIEJKNRBMSS-DNVCBOLYSA-N 0 0 427.948 3.054 50 0 IGAARN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000071754836 556887507 /nfs/dbraw/zinc/88/75/07/556887507.db2.gz QPIORAANRLQUHB-UHFFFAOYSA-N 0 0 439.468 3.250 50 0 IGAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(CCC(C)C)C3=O ZINC000033249186 556889672 /nfs/dbraw/zinc/88/96/72/556889672.db2.gz RQISWIRINUQANH-DVECYGJZSA-N 0 0 427.545 3.206 50 0 IGAARN Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2cc1C ZINC000033251129 556891866 /nfs/dbraw/zinc/89/18/66/556891866.db2.gz NJDMYUHVMCWLKK-UHFFFAOYSA-N 0 0 433.386 3.442 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000010663087 556903566 /nfs/dbraw/zinc/90/35/66/556903566.db2.gz WVGWUNGWWREGOB-UHFFFAOYSA-N 0 0 441.509 3.230 50 0 IGAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)no2)cc1 ZINC000019796741 556916244 /nfs/dbraw/zinc/91/62/44/556916244.db2.gz UIBXPALRWOUWNH-QFIPXVFZSA-N 0 0 437.496 3.162 50 0 IGAARN CNC(=O)NC(=O)CSc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1C1CC1 ZINC000019797152 556916458 /nfs/dbraw/zinc/91/64/58/556916458.db2.gz XNWYHJGOSZIJDC-UHFFFAOYSA-N 0 0 428.539 3.316 50 0 IGAARN COc1cc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc(OC)c1OC ZINC000019831715 556926830 /nfs/dbraw/zinc/92/68/30/556926830.db2.gz PXBGMSBJTREEGX-UHFFFAOYSA-N 0 0 449.345 3.433 50 0 IGAARN O=C(NCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)c1cccc(F)c1 ZINC000019840322 556929494 /nfs/dbraw/zinc/92/94/94/556929494.db2.gz YAYWYNLLGNUCFG-UYRXBGFRSA-N 0 0 439.922 3.485 50 0 IGAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000019857232 556931447 /nfs/dbraw/zinc/93/14/47/556931447.db2.gz ATUHLVJOYZSVGC-HXUWFJFHSA-N 0 0 432.948 3.422 50 0 IGAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860814 556933173 /nfs/dbraw/zinc/93/31/73/556933173.db2.gz DDLOWDQAELBKEU-GOSISDBHSA-N 0 0 436.961 3.207 50 0 IGAARN O=C(Nc1ccc(I)cc1C(=O)NCCCCO)c1cccs1 ZINC000019908608 556942692 /nfs/dbraw/zinc/94/26/92/556942692.db2.gz RWTFKAOTZVKWKT-UHFFFAOYSA-N 0 0 444.294 3.107 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000020095240 556979248 /nfs/dbraw/zinc/97/92/48/556979248.db2.gz MAKBNLODSQOTGW-UHFFFAOYSA-N 0 0 436.445 3.213 50 0 IGAARN C=C1c2ccccc2C(=O)N1CCC(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1 ZINC000011239320 556980077 /nfs/dbraw/zinc/98/00/77/556980077.db2.gz GOOXRJGNQSINFN-UHFFFAOYSA-N 0 0 425.916 3.322 50 0 IGAARN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000020101690 556980543 /nfs/dbraw/zinc/98/05/43/556980543.db2.gz JGQLYAQGBYHMJJ-NSHDSACASA-N 0 0 435.315 3.420 50 0 IGAARN CCn1cc2nc(SCC(=O)NCc3ccccc3Cl)n(CC(C)C)c(=O)c2n1 ZINC000033268107 556982123 /nfs/dbraw/zinc/98/21/23/556982123.db2.gz FZWQAVDEEWZCQB-UHFFFAOYSA-N 0 0 433.965 3.331 50 0 IGAARN CC(=O)c1c[nH]c(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000018610730 556982582 /nfs/dbraw/zinc/98/25/82/556982582.db2.gz SWGNVWRWMBUFGI-UHFFFAOYSA-N 0 0 440.477 3.440 50 0 IGAARN COCCn1c2ncccc2nc1[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000097112323 556990633 /nfs/dbraw/zinc/99/06/33/556990633.db2.gz KSYGXDFBHQCPNJ-HNNXBMFYSA-N 0 0 429.318 3.470 50 0 IGAARN O=C(COc1cccc(Cl)c1)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097138720 556991976 /nfs/dbraw/zinc/99/19/76/556991976.db2.gz GYLMJMNLAQEHRL-QFIPXVFZSA-N 0 0 441.959 3.054 50 0 IGAARN CC(C)(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000097138873 556992089 /nfs/dbraw/zinc/99/20/89/556992089.db2.gz BZVQYFOMHMCWRC-FQEVSTJZSA-N 0 0 442.535 3.308 50 0 IGAARN O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000097985392 556999968 /nfs/dbraw/zinc/99/99/68/556999968.db2.gz ALGWDCDBRGBGNK-UHFFFAOYSA-N 0 0 448.901 3.205 50 0 IGAARN O=C(NC[C@@H](c1cccc2ccccc21)N1CCOCC1)C(=O)Nc1cc(F)ccc1F ZINC000023107658 557002449 /nfs/dbraw/zinc/00/24/49/557002449.db2.gz PUSBTTMSGNVTHZ-QFIPXVFZSA-N 0 0 439.462 3.246 50 0 IGAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 ZINC000020308811 557006730 /nfs/dbraw/zinc/00/67/30/557006730.db2.gz SLHOLPHIICOORZ-HXUWFJFHSA-N 0 0 442.874 3.463 50 0 IGAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCN1CCOCC1)C3=O ZINC000020308701 557006753 /nfs/dbraw/zinc/00/67/53/557006753.db2.gz ZBDVYOYLQUHKIY-QFIPXVFZSA-N 0 0 436.483 3.426 50 0 IGAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020308725 557006784 /nfs/dbraw/zinc/00/67/84/557006784.db2.gz OPXHXBPKMWBYTO-QHCPKHFHSA-N 0 0 448.519 3.296 50 0 IGAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1 ZINC000020308813 557007188 /nfs/dbraw/zinc/00/71/88/557007188.db2.gz QBUMXQLAXIWYOL-FQEVSTJZSA-N 0 0 442.874 3.463 50 0 IGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNC(=O)c1nc(-c2cccs2)no1 ZINC000020352660 557009491 /nfs/dbraw/zinc/00/94/91/557009491.db2.gz VHKBNOSWIFOKFJ-GFCCVEGCSA-N 0 0 434.905 3.073 50 0 IGAARN COCCCNc1nc2c(S(=O)(=O)c3c(C)cc(C)cc3C)nnn2c2ccccc21 ZINC000020356001 557010338 /nfs/dbraw/zinc/01/03/38/557010338.db2.gz FPPBCKZFJVZBEY-UHFFFAOYSA-N 0 0 439.541 3.484 50 0 IGAARN CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)no3)nc21 ZINC000023128092 557012069 /nfs/dbraw/zinc/01/20/69/557012069.db2.gz VMBOIKJHZITDLT-UHFFFAOYSA-N 0 0 430.530 3.361 50 0 IGAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc(C(F)(F)F)c12 ZINC000045992701 557018170 /nfs/dbraw/zinc/01/81/70/557018170.db2.gz BAFIZICGMXHKII-NSHDSACASA-N 0 0 436.390 3.108 50 0 IGAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000010737181 557022079 /nfs/dbraw/zinc/02/20/79/557022079.db2.gz FQSNWWGJPXQWKI-KRWDZBQOSA-N 0 0 440.569 3.195 50 0 IGAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000046027387 557023388 /nfs/dbraw/zinc/02/33/88/557023388.db2.gz CCGNWVJUAKJCJC-UHFFFAOYSA-N 0 0 437.565 3.455 50 0 IGAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCCC1 ZINC000046027644 557023600 /nfs/dbraw/zinc/02/36/00/557023600.db2.gz UKOXCYWBXCNDRZ-UHFFFAOYSA-N 0 0 429.586 3.453 50 0 IGAARN C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944824 557027070 /nfs/dbraw/zinc/02/70/70/557027070.db2.gz CRTCRKYYCHSROH-AWEZNQCLSA-N 0 0 448.420 3.464 50 0 IGAARN COC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000010794696 557027447 /nfs/dbraw/zinc/02/74/47/557027447.db2.gz CFFPFUMXNBOUDS-UHFFFAOYSA-N 0 0 446.525 3.055 50 0 IGAARN CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000032945092 557028309 /nfs/dbraw/zinc/02/83/09/557028309.db2.gz VIADGCYZWLSAIR-SJLPKXTDSA-N 0 0 426.538 3.370 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812635 557029417 /nfs/dbraw/zinc/02/94/17/557029417.db2.gz ZOPABAWPBABZEI-ZDUSSCGKSA-N 0 0 442.946 3.355 50 0 IGAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)ccc21 ZINC000009677171 557031991 /nfs/dbraw/zinc/03/19/91/557031991.db2.gz LZOVTNSJQCQDNJ-UHFFFAOYSA-N 0 0 438.549 3.075 50 0 IGAARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000046075384 557032113 /nfs/dbraw/zinc/03/21/13/557032113.db2.gz HHNOJNWJPSMMAX-HNNXBMFYSA-N 0 0 442.447 3.405 50 0 IGAARN CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(F)cc2)n1 ZINC000046087015 557036213 /nfs/dbraw/zinc/03/62/13/557036213.db2.gz WOJRDGOXKHPGHQ-UHFFFAOYSA-N 0 0 427.299 3.249 50 0 IGAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000046145109 557043281 /nfs/dbraw/zinc/04/32/81/557043281.db2.gz JFPHOINOYNRUEN-UHFFFAOYSA-N 0 0 437.359 3.341 50 0 IGAARN C[C@H](Sc1ncccn1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010861159 557045512 /nfs/dbraw/zinc/04/55/12/557045512.db2.gz CYJBLBQOLDOOPN-ZDUSSCGKSA-N 0 0 440.978 3.424 50 0 IGAARN COc1ccc(OC)c(CNC(=O)c2nc3ccccc3n(Cc3ccccc3)c2=O)c1 ZINC000033269624 557047061 /nfs/dbraw/zinc/04/70/61/557047061.db2.gz KCKXVZBZQFIZST-UHFFFAOYSA-N 0 0 429.476 3.392 50 0 IGAARN CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H](C)S[C@@H](C)C2=O)sc2c1CCCCC2 ZINC000017297494 557047455 /nfs/dbraw/zinc/04/74/55/557047455.db2.gz JZTXZFVRVCYIOT-TXEJJXNPSA-N 0 0 438.571 3.011 50 0 IGAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cn4cccnc4n3)c2)c1C(F)(F)F ZINC000048236803 557047631 /nfs/dbraw/zinc/04/76/31/557047631.db2.gz TYPCKBSERJVXQF-UHFFFAOYSA-N 0 0 444.373 3.363 50 0 IGAARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2)c1ccccc1 ZINC000017269168 557048027 /nfs/dbraw/zinc/04/80/27/557048027.db2.gz SCYZIYMUPATTBJ-GOSISDBHSA-N 0 0 425.510 3.442 50 0 IGAARN COc1cccc(O[C@H]2C(=O)N(CCCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000048248983 557048215 /nfs/dbraw/zinc/04/82/15/557048215.db2.gz AYQDPZKKAZAQNI-DNQXCXABSA-N 0 0 440.540 3.147 50 0 IGAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4nccs4)n3)n[nH]2)cc1 ZINC000033270925 557048263 /nfs/dbraw/zinc/04/82/63/557048263.db2.gz RYRRCLZGTYLREI-UHFFFAOYSA-N 0 0 427.515 3.483 50 0 IGAARN COc1cccc(O[C@H]2C(=O)N(CCCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1 ZINC000048248988 557048365 /nfs/dbraw/zinc/04/83/65/557048365.db2.gz AYQDPZKKAZAQNI-BJKOFHAPSA-N 0 0 440.540 3.147 50 0 IGAARN CC(C)c1noc(CCCC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)n1 ZINC000048248765 557048376 /nfs/dbraw/zinc/04/83/76/557048376.db2.gz WYASRRGOTIFKRG-CQSZACIVSA-N 0 0 437.566 3.008 50 0 IGAARN O=C(Nc1ccccc1)c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000048248752 557048379 /nfs/dbraw/zinc/04/83/79/557048379.db2.gz ZZMXCDIKKYFFGL-OAQYLSRUSA-N 0 0 434.540 3.483 50 0 IGAARN Cc1cccc(NC(=O)CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)c1C ZINC000022927147 557048685 /nfs/dbraw/zinc/04/86/85/557048685.db2.gz NGLJLPOPVYEBDT-RUZDIDTESA-N 0 0 434.584 3.223 50 0 IGAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000033271522 557049516 /nfs/dbraw/zinc/04/95/16/557049516.db2.gz IFOGJOCDSMZSHH-MRXNPFEDSA-N 0 0 447.520 3.437 50 0 IGAARN CCOc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000022931306 557050072 /nfs/dbraw/zinc/05/00/72/557050072.db2.gz CWGHCEIQCWVZSV-UHFFFAOYSA-N 0 0 439.491 3.031 50 0 IGAARN Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022931813 557050135 /nfs/dbraw/zinc/05/01/35/557050135.db2.gz QWLNGFWOSPMZJO-GOSISDBHSA-N 0 0 428.964 3.082 50 0 IGAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1F ZINC000022932019 557050486 /nfs/dbraw/zinc/05/04/86/557050486.db2.gz CSWYNPDQVVJPBM-UHFFFAOYSA-N 0 0 426.355 3.084 50 0 IGAARN COc1ccc(NC(=O)N(C)Cc2cnc(C)s2)cc1S(=O)(=O)N1CCCCC1 ZINC000048274004 557051237 /nfs/dbraw/zinc/05/12/37/557051237.db2.gz YLOIWATYZNZGIC-UHFFFAOYSA-N 0 0 438.575 3.299 50 0 IGAARN CN(CCc1noc(C(=O)NCc2ccc(F)cc2)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000033273384 557051526 /nfs/dbraw/zinc/05/15/26/557051526.db2.gz YNZSIMZHLBGHFI-UHFFFAOYSA-N 0 0 431.855 3.499 50 0 IGAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCN(C)CC2)CCC3)cc1 ZINC000022939704 557053783 /nfs/dbraw/zinc/05/37/83/557053783.db2.gz BLVFGGCQXVROSF-UHFFFAOYSA-N 0 0 442.585 3.074 50 0 IGAARN O=C([C@H]1Cc2ccccc2CN1Cc1nc(COc2ccc(F)cc2)no1)N1CCCC1 ZINC000048288918 557053963 /nfs/dbraw/zinc/05/39/63/557053963.db2.gz PCHCEJLBDXCOLB-OAQYLSRUSA-N 0 0 436.487 3.337 50 0 IGAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000022976223 557055400 /nfs/dbraw/zinc/05/54/00/557055400.db2.gz LZKIOECNOCOOSB-UHFFFAOYSA-N 0 0 447.582 3.398 50 0 IGAARN Cc1noc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cc2)n1 ZINC000023004719 557057214 /nfs/dbraw/zinc/05/72/14/557057214.db2.gz OKNIQWXTWFWPHV-UHFFFAOYSA-N 0 0 440.403 3.138 50 0 IGAARN COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000048280272 557057869 /nfs/dbraw/zinc/05/78/69/557057869.db2.gz YIXJZADNZACEIR-KRWDZBQOSA-N 0 0 447.938 3.403 50 0 IGAARN O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000048286569 557058508 /nfs/dbraw/zinc/05/85/08/557058508.db2.gz DWMRJJHYBQTULR-UHFFFAOYSA-N 0 0 433.390 3.148 50 0 IGAARN Cc1csc(Sc2ccc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cc2)n1 ZINC000048310201 557060223 /nfs/dbraw/zinc/06/02/23/557060223.db2.gz RVUCVFYVMOAIKP-UHFFFAOYSA-N 0 0 441.581 3.051 50 0 IGAARN CN(Cc1c(F)cccc1Cl)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000023057916 557061068 /nfs/dbraw/zinc/06/10/68/557061068.db2.gz LBNMDVCUXFIPJW-UHFFFAOYSA-N 0 0 427.881 3.073 50 0 IGAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000048312171 557061253 /nfs/dbraw/zinc/06/12/53/557061253.db2.gz NHLOPOWWVYSXPM-GOSISDBHSA-N 0 0 426.860 3.432 50 0 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CC(=O)c1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000045960595 557554559 /nfs/dbraw/zinc/55/45/59/557554559.db2.gz CPTHNTODJLUAIQ-UHFFFAOYSA-N 0 0 437.521 3.203 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(C)cc3)CC2)c1C ZINC000045973931 557555798 /nfs/dbraw/zinc/55/57/98/557555798.db2.gz WHKBDNWAKXLWGW-UHFFFAOYSA-N 0 0 425.529 3.285 50 0 IGAARN CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(C)c4)c3=O)n2)cc1 ZINC000045971042 557558513 /nfs/dbraw/zinc/55/85/13/557558513.db2.gz PJHIQCMNWRCYQZ-UHFFFAOYSA-N 0 0 427.468 3.005 50 0 IGAARN CC(C)N(C(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CCCCC1 ZINC000038263389 557568797 /nfs/dbraw/zinc/56/87/97/557568797.db2.gz VSMAUIDAFNEDGL-QGOAFFKASA-N 0 0 433.618 3.174 50 0 IGAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c12 ZINC000040034716 557676439 /nfs/dbraw/zinc/67/64/39/557676439.db2.gz KFIYTVILHVSUAY-UHFFFAOYSA-N 0 0 438.491 3.452 50 0 IGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1CCCc2cccc(F)c21 ZINC000040051285 557685953 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Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000084235133 568796471 /nfs/dbraw/zinc/79/64/71/568796471.db2.gz YPQQDMAOAAHGSE-JOCHJYFZSA-N 0 0 437.540 3.310 50 0 IGAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000084340888 568797078 /nfs/dbraw/zinc/79/70/78/568797078.db2.gz RJFLSOAKKGZZIY-HNNXBMFYSA-N 0 0 427.328 3.211 50 0 IGAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H](CCCO)c1ccccc1 ZINC000084522368 568798355 /nfs/dbraw/zinc/79/83/55/568798355.db2.gz ZBZCHOZJJXOCFF-QFIPXVFZSA-N 0 0 430.570 3.034 50 0 IGAARN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000084541347 568798835 /nfs/dbraw/zinc/79/88/35/568798835.db2.gz BPJNAVPUGRZYCI-UHFFFAOYSA-N 0 0 440.565 3.278 50 0 IGAARN O=C(NC[C@H]1COc2ccccc2O1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000084583144 568798956 /nfs/dbraw/zinc/79/89/56/568798956.db2.gz FGNKBAXOVJBSBQ-QFBILLFUSA-N 0 0 433.302 3.372 50 0 IGAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000084636645 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C[C@@H]1CSc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2NC1=O ZINC000015731112 568813897 /nfs/dbraw/zinc/81/38/97/568813897.db2.gz WSDDMZANPAYFPN-CQSZACIVSA-N 0 0 435.546 3.017 50 0 IGAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1OC ZINC000015730339 568813910 /nfs/dbraw/zinc/81/39/10/568813910.db2.gz PBTABRHJLRVLCJ-ZDUSSCGKSA-N 0 0 436.555 3.048 50 0 IGAARN CCOC(=O)c1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2nc(C)ccc2c1=O ZINC000015732348 568815208 /nfs/dbraw/zinc/81/52/08/568815208.db2.gz PCESYCBTYNZBKX-UHFFFAOYSA-N 0 0 447.535 3.363 50 0 IGAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000015732558 568815305 /nfs/dbraw/zinc/81/53/05/568815305.db2.gz NFJLQCQBBIGOOL-CYBMUJFWSA-N 0 0 435.484 3.294 50 0 IGAARN CCOc1ccc(NC(=O)CNC2=NS(=O)(=O)C(c3ccc(CC)cc3)=C2C)cc1 ZINC000015735705 568816865 /nfs/dbraw/zinc/81/68/65/568816865.db2.gz UXVHJNNXCRRAMM-UHFFFAOYSA-N 0 0 427.526 3.349 50 0 IGAARN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N(Cc1cccs1)C1CCCC1 ZINC000015766820 568821533 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O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC1=CCCCC1 ZINC000085645037 568829802 /nfs/dbraw/zinc/82/98/02/568829802.db2.gz QJQOPWHKUXWXII-UHFFFAOYSA-N 0 0 445.589 3.003 50 0 IGAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000085651599 568831450 /nfs/dbraw/zinc/83/14/50/568831450.db2.gz PJXHKFWMRMJPEA-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)cc1C ZINC000085651604 568831511 /nfs/dbraw/zinc/83/15/11/568831511.db2.gz GARQPRRIDZERSP-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN Cc1oc(-c2ccc(C(=O)NC[C@H]3COCCO3)cc2)nc1CN1CCc2ccccc21 ZINC000015785958 568834290 /nfs/dbraw/zinc/83/42/90/568834290.db2.gz SYCYOMCJDDEGRD-NRFANRHFSA-N 0 0 433.508 3.358 50 0 IGAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000015823132 568839998 /nfs/dbraw/zinc/83/99/98/568839998.db2.gz KLTZTNXGPWXTNR-UHFFFAOYSA-N 0 0 430.482 3.470 50 0 IGAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000015822868 568840075 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IGAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)cc1Cl ZINC000015863220 568849059 /nfs/dbraw/zinc/84/90/59/568849059.db2.gz CIYXKJYDIFBXPY-UHFFFAOYSA-N 0 0 427.892 3.121 50 0 IGAARN CCSc1nnc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)s1 ZINC000015881785 568856088 /nfs/dbraw/zinc/85/60/88/568856088.db2.gz RQSGOLQARIXSQN-UHFFFAOYSA-N 0 0 445.555 3.191 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)c(C)c1 ZINC000015882330 568856387 /nfs/dbraw/zinc/85/63/87/568856387.db2.gz RPOSZRGYEYNBRQ-UHFFFAOYSA-N 0 0 443.617 3.293 50 0 IGAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882582 568857033 /nfs/dbraw/zinc/85/70/33/568857033.db2.gz SEZKEJJFZNWSOW-QHCPKHFHSA-N 0 0 448.954 3.267 50 0 IGAARN COc1ccc(Cl)cc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575414174 568861012 /nfs/dbraw/zinc/86/10/12/568861012.db2.gz HISVJFKWZHCZSA-UHFFFAOYSA-N 0 0 435.933 3.154 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O ZINC000016047563 568868959 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447.470 3.164 50 0 IGAARN COc1ccc([C@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000096336063 569396806 /nfs/dbraw/zinc/39/68/06/569396806.db2.gz VTWGQUQTQXOARZ-UNMCSNQZSA-N 0 0 435.432 3.260 50 0 IGAARN O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000096358582 569397562 /nfs/dbraw/zinc/39/75/62/569397562.db2.gz CQZHOLZQOYNWDS-UHFFFAOYSA-N 0 0 433.899 3.330 50 0 IGAARN O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387244 569398889 /nfs/dbraw/zinc/39/88/89/569398889.db2.gz DOTRFZANIYDEPP-OAHLLOKOSA-N 0 0 426.318 3.320 50 0 IGAARN O=C(NCc1ccccc1Br)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387317 569398864 /nfs/dbraw/zinc/39/88/64/569398864.db2.gz SYPRQMRRKKFFOV-HNNXBMFYSA-N 0 0 426.318 3.320 50 0 IGAARN Cc1nc(/C=C\C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000096937146 569402607 /nfs/dbraw/zinc/40/26/07/569402607.db2.gz XPJUYOJIJYYLSG-WAYWQWQTSA-N 0 0 439.459 3.376 50 0 IGAARN COC(=O)c1cc(CN(C)CC(=O)Nc2ccccc2I)oc1C ZINC000096993054 569402851 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3.175 50 0 IGAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000225598815 569405359 /nfs/dbraw/zinc/40/53/59/569405359.db2.gz QCROZAHWAUXNBO-UHFFFAOYSA-N 0 0 439.541 3.075 50 0 IGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000225606080 569405578 /nfs/dbraw/zinc/40/55/78/569405578.db2.gz FYYLYLHBOQJILF-UHFFFAOYSA-N 0 0 430.936 3.015 50 0 IGAARN O=C(CCc1ccccc1Br)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225635819 569406250 /nfs/dbraw/zinc/40/62/50/569406250.db2.gz VOKCVWLGIXBEQT-KRWDZBQOSA-N 0 0 431.286 3.218 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cccnc3-c3cccnc3)n(C)n2)c1 ZINC000225642940 569406301 /nfs/dbraw/zinc/40/63/01/569406301.db2.gz AQYNASBDAPOJOC-UHFFFAOYSA-N 0 0 429.480 3.491 50 0 IGAARN O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000028049966 569406646 /nfs/dbraw/zinc/40/66/46/569406646.db2.gz KIPKZRDHVZJEFX-CQSZACIVSA-N 0 0 436.839 3.421 50 0 IGAARN Cc1nc2c(c(N3CCC(NS(=O)(=O)c4ccc(Cl)s4)CC3)n1)CCCC2 ZINC000225739667 569407954 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Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000002922657 569425385 /nfs/dbraw/zinc/42/53/85/569425385.db2.gz YBVBGCAEIGCFTB-UHFFFAOYSA-N 0 0 448.907 3.434 50 0 IGAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc(F)c(Cl)c3)c(C)c2c1=O ZINC000002937390 569426272 /nfs/dbraw/zinc/42/62/72/569426272.db2.gz WLQUOJJQANXRJU-UHFFFAOYSA-N 0 0 436.896 3.337 50 0 IGAARN COc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(C)cc2)c2ccco2)cc1 ZINC000002938520 569426485 /nfs/dbraw/zinc/42/64/85/569426485.db2.gz ZLNFOOCINBWESR-FQEVSTJZSA-N 0 0 428.510 3.323 50 0 IGAARN Cc1nc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)cs1 ZINC000056907214 569427573 /nfs/dbraw/zinc/42/75/73/569427573.db2.gz LJBKOMAIRUOKQA-UHFFFAOYSA-N 0 0 426.907 3.348 50 0 IGAARN CC(C)[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000057270829 569430254 /nfs/dbraw/zinc/43/02/54/569430254.db2.gz DNMDNKNEQRZTIE-VWLOTQADSA-N 0 0 439.556 3.189 50 0 IGAARN CC(=O)c1ccc(N2CCN(CC(=O)N(Cc3ccccc3F)C3CC3)CC2)c(F)c1 ZINC000057273982 569430481 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002987333 569434373 /nfs/dbraw/zinc/43/43/73/569434373.db2.gz JXHGGXXVBCRHRZ-GFCAVMEOSA-N 0 0 448.544 3.197 50 0 IGAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)N[C@H]1CCc2ccccc21 ZINC000057426552 569434600 /nfs/dbraw/zinc/43/46/00/569434600.db2.gz ROKKZTVEFXGPLE-IBGZPJMESA-N 0 0 449.507 3.216 50 0 IGAARN CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(OC)cc3)c2=O)c1 ZINC000057426582 569434618 /nfs/dbraw/zinc/43/46/18/569434618.db2.gz UULZLXHESRMUGH-UHFFFAOYSA-N 0 0 449.532 3.483 50 0 IGAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O ZINC000057426732 569434688 /nfs/dbraw/zinc/43/46/88/569434688.db2.gz MJRBNVAOMSYWEU-MRXNPFEDSA-N 0 0 429.517 3.203 50 0 IGAARN O=C(Cn1c2ccccc2c(=O)n(CCc2cccs2)c1=O)N1CCc2ccccc21 ZINC000057473325 569435726 /nfs/dbraw/zinc/43/57/26/569435726.db2.gz QJDVOGLAUUQEMQ-UHFFFAOYSA-N 0 0 431.517 3.057 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)C1 ZINC000057486623 569436567 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Cc1nn(-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C(C)C)c(C)c1C ZINC000012232015 527570954 /nfs/dbraw/zinc/57/09/54/527570954.db2.gz HTAMBBJYHODSGN-UHFFFAOYSA-N 0 0 434.544 3.221 50 0 IGAARN O=C(NCC1(N2CCOCC2)CCCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000020909762 527571961 /nfs/dbraw/zinc/57/19/61/527571961.db2.gz JFTXKKJEBPSOTK-UHFFFAOYSA-N 0 0 431.968 3.135 50 0 IGAARN Cn1ncc2c1nc(N1CCN(C(=O)c3ccco3)CC1)nc2Nc1ccc(Cl)cc1 ZINC000021928522 527581997 /nfs/dbraw/zinc/58/19/97/527581997.db2.gz KVYQMSUZDGAXBA-UHFFFAOYSA-N 0 0 437.891 3.316 50 0 IGAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(C)cc1 ZINC000021881996 527655695 /nfs/dbraw/zinc/65/56/95/527655695.db2.gz NICSPWZNYVHGFG-UHFFFAOYSA-N 0 0 430.505 3.318 50 0 IGAARN Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1csc(CC(=O)NCc2ccccc2)n1 ZINC000040066769 527664751 /nfs/dbraw/zinc/66/47/51/527664751.db2.gz UVUZBDYOMZZANR-CMDGGOBGSA-N 0 0 444.944 3.454 50 0 IGAARN CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010084468 535787718 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COc1ccc(C)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000000655071 555524374 /nfs/dbraw/zinc/52/43/74/555524374.db2.gz VPSSLICQVZBUHY-UHFFFAOYSA-N 0 0 428.510 3.417 50 0 IGAARN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000664711 555527984 /nfs/dbraw/zinc/52/79/84/555527984.db2.gz DUNIKJRCHPFJKY-UHFFFAOYSA-N 0 0 440.521 3.234 50 0 IGAARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000000675664 555534372 /nfs/dbraw/zinc/53/43/72/555534372.db2.gz VWFZCYKWWUPKSI-UHFFFAOYSA-N 0 0 447.582 3.243 50 0 IGAARN COc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000000679408 555536905 /nfs/dbraw/zinc/53/69/05/555536905.db2.gz XATCXJJEKQBDNY-UHFFFAOYSA-N 0 0 427.545 3.437 50 0 IGAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c1 ZINC000000687490 555540725 /nfs/dbraw/zinc/54/07/25/555540725.db2.gz WVQOBWKUSUPIDP-UHFFFAOYSA-N 0 0 445.932 3.138 50 0 IGAARN COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000000717094 555548796 /nfs/dbraw/zinc/54/87/96/555548796.db2.gz VUQPIEHTTYFBSG-UHFFFAOYSA-N 0 0 429.494 3.479 50 0 IGAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000000778472 555554525 /nfs/dbraw/zinc/55/45/25/555554525.db2.gz ANWZIKNFZNVADY-UHFFFAOYSA-N 0 0 449.492 3.499 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000000780519 555555006 /nfs/dbraw/zinc/55/50/06/555555006.db2.gz ZSVGBWACWCMHRA-UHFFFAOYSA-N 0 0 440.496 3.371 50 0 IGAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCc2ccccc2C1 ZINC000000801248 555559389 /nfs/dbraw/zinc/55/93/89/555559389.db2.gz VWLGEIWOKTYVHZ-UHFFFAOYSA-N 0 0 428.554 3.261 50 0 IGAARN COc1ccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)cc1C(N)=O ZINC000000801801 555559435 /nfs/dbraw/zinc/55/94/35/555559435.db2.gz XFFUSHPWEKGYJH-UHFFFAOYSA-N 0 0 442.475 3.200 50 0 IGAARN COc1ccc(OC)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000824499 555564777 /nfs/dbraw/zinc/56/47/77/555564777.db2.gz MLGAYAVPEWUJKF-UHFFFAOYSA-N 0 0 432.542 3.266 50 0 IGAARN CCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000000835355 555567008 /nfs/dbraw/zinc/56/70/08/555567008.db2.gz OPPCANOYYBCQNP-UHFFFAOYSA-N 0 0 427.320 3.253 50 0 IGAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3cccnc3)C(=O)[C@H]12 ZINC000000842039 555568192 /nfs/dbraw/zinc/56/81/92/555568192.db2.gz YFQQDGIOGNNYHE-FPAXGFGJSA-N 0 0 440.499 3.247 50 0 IGAARN COC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000846547 555569648 /nfs/dbraw/zinc/56/96/48/555569648.db2.gz VMTWPGNDHGDWJO-NRFANRHFSA-N 0 0 428.444 3.319 50 0 IGAARN Cc1cc(I)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000851406 555570527 /nfs/dbraw/zinc/57/05/27/555570527.db2.gz GCPXQGYFBNHNSC-UHFFFAOYSA-N 0 0 434.233 3.224 50 0 IGAARN CCOc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000882528 555578056 /nfs/dbraw/zinc/57/80/56/555578056.db2.gz XSOSJSRWJCUWMZ-UHFFFAOYSA-N 0 0 439.537 3.300 50 0 IGAARN COc1ccc(N(C[C@H](O)Cn2cnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000000895629 555580317 /nfs/dbraw/zinc/58/03/17/555580317.db2.gz NFLTUNORMGOSRV-LJQANCHMSA-N 0 0 437.521 3.301 50 0 IGAARN CCOC(=O)c1[nH]c(COC(=O)/C=C/c2cc(OC)ccc2OC)c(C(=O)OCC)c1C ZINC000009562370 555580510 /nfs/dbraw/zinc/58/05/10/555580510.db2.gz KUUDKOQKEWAGMH-DHZHZOJOSA-N 0 0 445.468 3.450 50 0 IGAARN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000947828 555588568 /nfs/dbraw/zinc/58/85/68/555588568.db2.gz OWBAIJHXJULMDF-HXUWFJFHSA-N 0 0 442.562 3.189 50 0 biogenic,in-vitro IGAARN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1O ZINC000000982518 555593698 /nfs/dbraw/zinc/59/36/98/555593698.db2.gz IOVONLXRUBPUHQ-UVDXRHSJSA-N 0 0 430.276 3.151 50 0 IGAARN O=S(=O)(NCc1ccccn1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000001024323 555603953 /nfs/dbraw/zinc/60/39/53/555603953.db2.gz USDLJGJXDJXNHC-UHFFFAOYSA-N 0 0 444.353 3.442 50 0 IGAARN COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000001024113 555603967 /nfs/dbraw/zinc/60/39/67/555603967.db2.gz XREGVWDAWKADMU-UHFFFAOYSA-N 0 0 438.318 3.385 50 0 IGAARN O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)s1)N1CCCC1 ZINC000001039509 555609372 /nfs/dbraw/zinc/60/93/72/555609372.db2.gz ASLUIGCIVJIGKK-UHFFFAOYSA-N 0 0 432.614 3.046 50 0 IGAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000001047118 555611182 /nfs/dbraw/zinc/61/11/82/555611182.db2.gz FKMOFUUXLJCFPK-UHFFFAOYSA-N 0 0 438.449 3.386 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000001049416 555612386 /nfs/dbraw/zinc/61/23/86/555612386.db2.gz IKWGNWSOCNCPHA-UHFFFAOYSA-N 0 0 428.869 3.061 50 0 IGAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCC(C(N)=O)CC2)cc1 ZINC000001052820 555613556 /nfs/dbraw/zinc/61/35/56/555613556.db2.gz PJDJCSFLPLJQKG-UHFFFAOYSA-N 0 0 425.510 3.185 50 0 IGAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000001060428 555616029 /nfs/dbraw/zinc/61/60/29/555616029.db2.gz ZBRFXVNQLQQROL-LBPRGKRZSA-N 0 0 431.468 3.315 50 0 IGAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NC[C@H]4CCCO4)c3)nn12 ZINC000001062351 555616726 /nfs/dbraw/zinc/61/67/26/555616726.db2.gz BPHOJZNELNVLFM-QGZVFWFLSA-N 0 0 437.525 3.019 50 0 IGAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000001065637 555618114 /nfs/dbraw/zinc/61/81/14/555618114.db2.gz ULNVJNRYNQCUFO-UHFFFAOYSA-N 0 0 432.542 3.442 50 0 IGAARN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000001078720 555625612 /nfs/dbraw/zinc/62/56/12/555625612.db2.gz XTSUIHVVWYHPPZ-UHFFFAOYSA-N 0 0 440.521 3.500 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001116653 555634642 /nfs/dbraw/zinc/63/46/42/555634642.db2.gz SMYQLAHQDSTUHZ-UHFFFAOYSA-N 0 0 428.869 3.061 50 0 IGAARN Cn1c2nc(Sc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001127842 555642155 /nfs/dbraw/zinc/64/21/55/555642155.db2.gz ZZUWFPRHOCJFDB-UHFFFAOYSA-N 0 0 430.892 3.426 50 0 IGAARN COc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OCc2ccccc2)cc(OC)c1OC ZINC000001130114 555644017 /nfs/dbraw/zinc/64/40/17/555644017.db2.gz RCLDYBHNUNRDTF-IBGZPJMESA-N 0 0 428.510 3.249 50 0 IGAARN CCOC(=O)CN1c2ccccc2[C@](O)(CC(=O)c2ccc3c4c(cccc42)CC3)C1=O ZINC000001154703 555658149 /nfs/dbraw/zinc/65/81/49/555658149.db2.gz RORAOUKAESQHMN-AREMUKBSSA-N 0 0 429.472 3.309 50 0 IGAARN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001157431 555659850 /nfs/dbraw/zinc/65/98/50/555659850.db2.gz ZMXRDQAERBCZNS-UHFFFAOYSA-N 0 0 436.917 3.166 50 0 IGAARN COc1ccc(C)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000001174585 555669014 /nfs/dbraw/zinc/66/90/14/555669014.db2.gz AVFWVTCZMILQAQ-UHFFFAOYSA-N 0 0 427.320 3.171 50 0 IGAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000001176762 555670077 /nfs/dbraw/zinc/67/00/77/555670077.db2.gz HQTIXVDYPUNXGR-OAHLLOKOSA-N 0 0 425.304 3.281 50 0 IGAARN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1Br ZINC000001182347 555672207 /nfs/dbraw/zinc/67/22/07/555672207.db2.gz ROHWFVZKTHGBKG-UHFFFAOYSA-N 0 0 431.739 3.185 50 0 IGAARN COC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001198302 555677641 /nfs/dbraw/zinc/67/76/41/555677641.db2.gz DRZWTQLRXAZFHS-UHFFFAOYSA-N 0 0 442.468 3.446 50 0 IGAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000001262662 555688104 /nfs/dbraw/zinc/68/81/04/555688104.db2.gz MFOABGPONXNJHK-UHFFFAOYSA-N 0 0 440.262 3.205 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000001750106 555712445 /nfs/dbraw/zinc/71/24/45/555712445.db2.gz ZKVQXJQPGWJBOI-UHFFFAOYSA-N 0 0 429.498 3.044 50 0 IGAARN CCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000001787046 555715256 /nfs/dbraw/zinc/71/52/56/555715256.db2.gz TZKGOHHWPJOSJK-CYBMUJFWSA-N 0 0 426.753 3.372 50 0 IGAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1 ZINC000001818153 555718480 /nfs/dbraw/zinc/71/84/80/555718480.db2.gz LIOPELJGVJNHLR-MOSHPQCFSA-N 0 0 429.505 3.340 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(CN2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)o1 ZINC000071889696 555726623 /nfs/dbraw/zinc/72/66/23/555726623.db2.gz VYZIFUUWJNWZFF-SFHVURJKSA-N 0 0 442.541 3.350 50 0 IGAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NCC(C)C)C(C)C)cc1 ZINC000002063458 555732750 /nfs/dbraw/zinc/73/27/50/555732750.db2.gz LIJPWBVZGMBJMC-OAQYLSRUSA-N 0 0 425.529 3.474 50 0 IGAARN COc1ccc(OC)c([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)c1 ZINC000002080819 555737850 /nfs/dbraw/zinc/73/78/50/555737850.db2.gz XMRPVVBADBRUIO-OAQYLSRUSA-N 0 0 426.469 3.296 50 0 IGAARN CCOc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000002089072 555740831 /nfs/dbraw/zinc/74/08/31/555740831.db2.gz MMWIPCMYGOBLFU-UHFFFAOYSA-N 0 0 436.599 3.209 50 0 IGAARN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2C)C(C)C)c1 ZINC000002142868 555748467 /nfs/dbraw/zinc/74/84/67/555748467.db2.gz CBRWHIYKNTVTAM-MRXNPFEDSA-N 0 0 444.586 3.438 50 0 IGAARN COc1cc(-c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc(OC)c1OC ZINC000002180685 555753404 /nfs/dbraw/zinc/75/34/04/555753404.db2.gz ZAXLZLWYXFTPAU-INIZCTEOSA-N 0 0 426.454 3.391 50 0 IGAARN COc1ccc(CCn2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002376440 555773650 /nfs/dbraw/zinc/77/36/50/555773650.db2.gz RLPAIHGHMGVALB-GOSISDBHSA-N 0 0 445.523 3.327 50 0 IGAARN CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000002504044 555784814 /nfs/dbraw/zinc/78/48/14/555784814.db2.gz KFBUHBWIMHHZSG-UKRRQHHQSA-N 0 0 430.526 3.036 50 0 IGAARN CC(=O)Oc1cccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1 ZINC000002533442 555786471 /nfs/dbraw/zinc/78/64/71/555786471.db2.gz QLDGDLMCFOVESF-MHWRWJLKSA-N 0 0 442.294 3.054 50 0 IGAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=S ZINC000002730049 555803690 /nfs/dbraw/zinc/80/36/90/555803690.db2.gz FCLHBBBIXIJIFU-LJQANCHMSA-N 0 0 427.526 3.050 50 0 IGAARN CN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)N(CCc2ccccc2)C1=S ZINC000002729272 555803717 /nfs/dbraw/zinc/80/37/17/555803717.db2.gz FJEWHDMLBLXVSO-KRWDZBQOSA-N 0 0 446.370 3.448 50 0 IGAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCCC4=O)c3n2)cc1 ZINC000002770385 555815665 /nfs/dbraw/zinc/81/56/65/555815665.db2.gz MKJOCSQSKYMWMT-UHFFFAOYSA-N 0 0 427.455 3.385 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Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102680622 557368305 /nfs/dbraw/zinc/36/83/05/557368305.db2.gz WEAIATBNROELPU-GUDVDZBRSA-N 0 0 426.314 3.293 50 0 IGAARN COc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1C ZINC000023809102 557375934 /nfs/dbraw/zinc/37/59/34/557375934.db2.gz NWNGNSQTCGKWSB-UHFFFAOYSA-N 0 0 447.944 3.168 50 0 IGAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1C ZINC000013858106 557391496 /nfs/dbraw/zinc/39/14/96/557391496.db2.gz LGMCIXMPFFRSCT-UHFFFAOYSA-N 0 0 434.905 3.493 50 0 IGAARN Cc1ccc(C(=O)NCCn2ccc3ccc(Br)cc32)cc1-n1cnnn1 ZINC000072401285 557394370 /nfs/dbraw/zinc/39/43/70/557394370.db2.gz LGMUFTVTXWJSOF-UHFFFAOYSA-N 0 0 425.290 3.118 50 0 IGAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(C)=O)cc1OC ZINC000004924487 557408766 /nfs/dbraw/zinc/40/87/66/557408766.db2.gz AFIJGFIAIZPANP-UHFFFAOYSA-N 0 0 428.529 3.435 50 0 IGAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000102896665 557411069 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/nfs/dbraw/zinc/54/70/63/569547063.db2.gz AKQWHSMMFBBIEP-UHFFFAOYSA-N 0 0 426.317 3.175 50 0 IGAARN CCCCn1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O ZINC000009562436 569547274 /nfs/dbraw/zinc/54/72/74/569547274.db2.gz BRGXKGXXYBWMQW-UHFFFAOYSA-N 0 0 442.541 3.008 50 0 IGAARN Cc1nn(C(=O)COc2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000009569743 569547651 /nfs/dbraw/zinc/54/76/51/569547651.db2.gz ZMWGRWUOKNSRKU-UHFFFAOYSA-N 0 0 439.537 3.275 50 0 IGAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2s1 ZINC000009575808 569547990 /nfs/dbraw/zinc/54/79/90/569547990.db2.gz QLVFIOKVXLPEEV-UHFFFAOYSA-N 0 0 440.550 3.281 50 0 IGAARN CCc1ccc(-c2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000009575932 569548028 /nfs/dbraw/zinc/54/80/28/569548028.db2.gz UTBJZXXRJXBMNA-SFHVURJKSA-N 0 0 448.614 3.085 50 0 IGAARN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000009583128 569549278 /nfs/dbraw/zinc/54/92/78/569549278.db2.gz PALREDDYSZZUIN-UHFFFAOYSA-N 0 0 440.521 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COc1ccc(CCNC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[nH]2)cc1OC ZINC000012168692 523968265 /nfs/dbraw/zinc/96/82/65/523968265.db2.gz LHOMMLGSYMIFPA-UHFFFAOYSA-N 0 0 426.444 3.083 50 0 IGAARN COc1ccc(CCNC(=O)[C@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OC ZINC000065289486 523968420 /nfs/dbraw/zinc/96/84/20/523968420.db2.gz GUNJBZRPTPFZKB-IBGZPJMESA-N 0 0 438.572 3.194 50 0 IGAARN COc1ccc(CCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)cc1OC ZINC000021535398 523971652 /nfs/dbraw/zinc/97/16/52/523971652.db2.gz WQUTVVSVYWWJGV-UHFFFAOYSA-N 0 0 441.557 3.309 50 0 IGAARN CCc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1 ZINC000020981274 523987955 /nfs/dbraw/zinc/98/79/55/523987955.db2.gz QOLUTWNBJHZLPZ-QFIPXVFZSA-N 0 0 443.569 3.465 50 0 IGAARN CCc1ccc(OC(=O)CSc2nc(-c3ccc(OC)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021885452 524001034 /nfs/dbraw/zinc/00/10/34/524001034.db2.gz YAZYOKYLNQPRJG-UHFFFAOYSA-N 0 0 436.493 3.353 50 0 IGAARN CCc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 ZINC000041078172 524003542 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Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CC=C(c3ccccc3)CC2)cc1C ZINC000035431263 525516551 /nfs/dbraw/zinc/51/65/51/525516551.db2.gz NRYBLENTHDCIGZ-QFIPXVFZSA-N 0 0 438.549 3.299 50 0 IGAARN Cc1cccnc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000012627465 525536873 /nfs/dbraw/zinc/53/68/73/525536873.db2.gz DIQSONJFWQFPKJ-UHFFFAOYSA-N 0 0 441.557 3.023 50 0 IGAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NCc1ccccn1)C2 ZINC000035871727 525550883 /nfs/dbraw/zinc/55/08/83/525550883.db2.gz NBSJPXWGQYFBGK-ILBGXUMGSA-N 0 0 428.536 3.274 50 0 IGAARN Cc1c(C(=O)N2CCCC[C@@H]2CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000011974792 525573808 /nfs/dbraw/zinc/57/38/08/525573808.db2.gz FMZCAJMWWHZFOH-OAHLLOKOSA-N 0 0 440.525 3.328 50 0 IGAARN Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 ZINC000012126949 525601899 /nfs/dbraw/zinc/60/18/99/525601899.db2.gz KGAKEDILBAGIQO-AWEZNQCLSA-N 0 0 436.603 3.299 50 0 IGAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1cccc(OC)c1OC)n2C ZINC000021529897 525602878 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C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012543227 525988984 /nfs/dbraw/zinc/98/89/84/525988984.db2.gz VJOPZYVPJPZAAS-LLVKDONJSA-N 0 0 449.476 3.350 50 0 IGAARN C[C@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)c1nc2ccccc2c(=O)[nH]1 ZINC000012925439 526002183 /nfs/dbraw/zinc/00/21/83/526002183.db2.gz ORCHFNFKUZHUOG-NSHDSACASA-N 0 0 430.511 3.168 50 0 IGAARN C[C@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012881600 526030347 /nfs/dbraw/zinc/03/03/47/526030347.db2.gz ZVRAMHZHUNETML-CQSZACIVSA-N 0 0 448.416 3.137 50 0 IGAARN COc1cccc(CNc2ncnc3sc(C(=O)N4CCCN(C)CC4)c(C)c32)c1 ZINC000012244076 526046836 /nfs/dbraw/zinc/04/68/36/526046836.db2.gz JVOMMGXTUZNXLI-UHFFFAOYSA-N 0 0 425.558 3.398 50 0 IGAARN Cc1ccc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)c1 ZINC000012777277 526071334 /nfs/dbraw/zinc/07/13/34/526071334.db2.gz RIAMMUJWMAIWPV-UHFFFAOYSA-N 0 0 434.540 3.477 50 0 IGAARN Cc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)coc2c1C ZINC000012684432 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448.544 3.195 50 0 IGAARN O=c1/c(=C/c2ccc(I)cc2)sc2nc(-c3cccs3)nn12 ZINC000008433310 556172736 /nfs/dbraw/zinc/17/27/36/556172736.db2.gz MAAZZFUHJBFKIE-WQLSENKSSA-N 0 0 437.287 3.032 50 0 IGAARN Cc1nn(CC(=O)NCCC2=CCCCC2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008745972 556209506 /nfs/dbraw/zinc/20/95/06/556209506.db2.gz BCMZWSDHHDFLOT-UHFFFAOYSA-N 0 0 442.585 3.258 50 0 IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1c(Cl)cccc1Cl ZINC000008748184 556210383 /nfs/dbraw/zinc/21/03/83/556210383.db2.gz FQACVCUXLWECJC-AWEZNQCLSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc1 ZINC000010606165 556211006 /nfs/dbraw/zinc/21/10/06/556211006.db2.gz KQOFRUQBGVUHDH-UHFFFAOYSA-N 0 0 438.553 3.481 50 0 IGAARN O=C(COc1ccccc1Cl)Nc1nonc1NC(=O)COc1ccccc1Cl ZINC000008763583 556211727 /nfs/dbraw/zinc/21/17/27/556211727.db2.gz BAONHWDWTCGQNL-UHFFFAOYSA-N 0 0 437.239 3.411 50 0 IGAARN CCOC(=O)c1ccc(N2C(=O)C=C(N3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000008771798 556213720 /nfs/dbraw/zinc/21/37/20/556213720.db2.gz AEDNQMRJGSWFFQ-UHFFFAOYSA-N 0 0 449.507 3.206 50 0 IGAARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)sc2c1CCCC2 ZINC000008815924 556217150 /nfs/dbraw/zinc/21/71/50/556217150.db2.gz ZSBMXTOFYKXVOT-UHFFFAOYSA-N 0 0 448.566 3.378 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)cc2)CC1 ZINC000008816085 556217433 /nfs/dbraw/zinc/21/74/33/556217433.db2.gz DETYHMPNCMORBM-SFHVURJKSA-N 0 0 447.601 3.227 50 0 IGAARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(=O)OC)cc1)C(C(=O)OC)=C(C)N2 ZINC000008884068 556230657 /nfs/dbraw/zinc/23/06/57/556230657.db2.gz UAADMPKYTPZGTJ-OAHLLOKOSA-N 0 0 429.498 3.063 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008895990 556230919 /nfs/dbraw/zinc/23/09/19/556230919.db2.gz AYWCGUONKJDNTG-ZDUSSCGKSA-N 0 0 449.381 3.077 50 0 IGAARN O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1)NCc1ccco1 ZINC000008921622 556233431 /nfs/dbraw/zinc/23/34/31/556233431.db2.gz 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COCCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000009287976 556272446 /nfs/dbraw/zinc/27/24/46/556272446.db2.gz LFOKAVHUNNPWNF-IBGZPJMESA-N 0 0 445.516 3.202 50 0 IGAARN C[C@H](NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000013685193 556275799 /nfs/dbraw/zinc/27/57/99/556275799.db2.gz USZKNERQFHMCFU-YSIASYRMSA-N 0 0 445.519 3.457 50 0 IGAARN COc1ccc(-c2cc(NC(=O)c3cccc(Cl)n3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013690162 556279307 /nfs/dbraw/zinc/27/93/07/556279307.db2.gz KVBLBFFAFCSIHV-AWEZNQCLSA-N 0 0 446.916 3.219 50 0 IGAARN COc1ccc(OC)c(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1 ZINC000009327568 556282013 /nfs/dbraw/zinc/28/20/13/556282013.db2.gz NVLLCUNSEXNCJE-UHFFFAOYSA-N 0 0 438.871 3.472 50 0 IGAARN O=C(Nc1ccccc1C(F)(F)F)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 ZINC000013693493 556282888 /nfs/dbraw/zinc/28/28/88/556282888.db2.gz CNXSHDHZQFATGC-LBPRGKRZSA-N 0 0 427.448 3.393 50 0 IGAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000009410057 556288158 /nfs/dbraw/zinc/28/81/58/556288158.db2.gz NTGLJXXNEAIHAU-SFHVURJKSA-N 0 0 444.854 3.410 50 0 IGAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccccc1 ZINC000009410919 556288506 /nfs/dbraw/zinc/28/85/06/556288506.db2.gz VQJKSHNLGWYYAF-HXUWFJFHSA-N 0 0 435.571 3.339 50 0 IGAARN CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@]12c1cc(C)cc3c1N(C2=O)C(C)(C)C[C@H]3C ZINC000009413775 556288774 /nfs/dbraw/zinc/28/87/74/556288774.db2.gz MFQSZDNBKNFRTN-YYUOZPCZSA-N 0 0 436.512 3.071 50 0 IGAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccncc4)nn2c1=O)CCCC3)N1CCCCC1 ZINC000013728334 556294185 /nfs/dbraw/zinc/29/41/85/556294185.db2.gz HYTKGQGHRVTYOP-UHFFFAOYSA-N 0 0 448.552 3.059 50 0 IGAARN COc1ccc(-c2cc(NC(=O)c3ccccc3F)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013732603 556296523 /nfs/dbraw/zinc/29/65/23/556296523.db2.gz ZERWIQOSTAAEER-HNNXBMFYSA-N 0 0 429.473 3.310 50 0 IGAARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc2c(cc1Br)OCO2 ZINC000009560018 556299147 /nfs/dbraw/zinc/29/91/47/556299147.db2.gz 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CCc1ccc(-c2nc(CC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000032752834 556313880 /nfs/dbraw/zinc/31/38/80/556313880.db2.gz KWFSAHBMNOVCPB-SFHVURJKSA-N 0 0 444.582 3.418 50 0 IGAARN CC(C)Cc1nc2oc3c(ncnc3N(C[C@@H](C)O)C[C@H](C)O)c2c2c1COC(C)(C)C2 ZINC000013814380 556313917 /nfs/dbraw/zinc/31/39/17/556313917.db2.gz PAIHVBPSKUQBDD-GASCZTMLSA-N 0 0 442.560 3.389 50 0 IGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000032745317 556315122 /nfs/dbraw/zinc/31/51/22/556315122.db2.gz CXZZTSBMJLXQIY-UHFFFAOYSA-N 0 0 426.498 3.350 50 0 IGAARN COC(=O)c1ccc([C@@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)cc1 ZINC000009905530 556315915 /nfs/dbraw/zinc/31/59/15/556315915.db2.gz SATFVVBZIDSJTK-HXUWFJFHSA-N 0 0 449.467 3.010 50 0 IGAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCOC)cc1 ZINC000009934043 556317513 /nfs/dbraw/zinc/31/75/13/556317513.db2.gz CYZZVSTVAFLOTA-HXUWFJFHSA-N 0 0 443.475 3.427 50 0 IGAARN CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)CC2=O)c1 ZINC000032760404 556320567 /nfs/dbraw/zinc/32/05/67/556320567.db2.gz HXJJDDKKAVKYEA-HNNXBMFYSA-N 0 0 433.505 3.312 50 0 IGAARN COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)s2)cc1OC ZINC000010058929 556323728 /nfs/dbraw/zinc/32/37/28/556323728.db2.gz FXENJRLEGICLBX-OAHLLOKOSA-N 0 0 444.557 3.266 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3n[nH]cc31)C[C@H](C)CC2 ZINC000013879048 556325025 /nfs/dbraw/zinc/32/50/25/556325025.db2.gz WDVACORMOUBMRH-SNVBAGLBSA-N 0 0 431.543 3.447 50 0 IGAARN O=c1[nH]nc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@@H]2c1ccc(F)cc1 ZINC000010232757 556327943 /nfs/dbraw/zinc/32/79/43/556327943.db2.gz HCOJDJPOKDYAGF-MRXNPFEDSA-N 0 0 440.236 3.432 50 0 IGAARN O=c1[nH]nc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@@H]2c1cccs1 ZINC000010295053 556329773 /nfs/dbraw/zinc/32/97/73/556329773.db2.gz DISJWPHFIXPKOH-CQSZACIVSA-N 0 0 428.275 3.354 50 0 IGAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 ZINC000013944693 556342019 /nfs/dbraw/zinc/34/20/19/556342019.db2.gz 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Cc1ccc(F)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000013992424 556353187 /nfs/dbraw/zinc/35/31/87/556353187.db2.gz FGXMHJFNDRMWMT-UHFFFAOYSA-N 0 0 431.467 3.492 50 0 IGAARN CN(CCc1ccccn1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O ZINC000011788721 556354473 /nfs/dbraw/zinc/35/44/73/556354473.db2.gz KPZOGIHDUDCXMS-RUZDIDTESA-N 0 0 447.560 3.431 50 0 IGAARN COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000011816555 556359186 /nfs/dbraw/zinc/35/91/86/556359186.db2.gz YFEFPUDSEDOFMR-UHFFFAOYSA-N 0 0 426.538 3.249 50 0 IGAARN Nn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000014069050 556360355 /nfs/dbraw/zinc/36/03/55/556360355.db2.gz UPIMJLPVMFEUKD-KRWDZBQOSA-N 0 0 429.933 3.005 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC000032796521 556361484 /nfs/dbraw/zinc/36/14/84/556361484.db2.gz BWOCNWZLMIMQJM-UHFFFAOYSA-N 0 0 425.464 3.153 50 0 IGAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCSc2ccc(Cl)cc21 ZINC000032801994 556364945 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COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 ZINC000014184242 556384023 /nfs/dbraw/zinc/38/40/23/556384023.db2.gz DKQXHIKLOHQFST-FQEVSTJZSA-N 0 0 447.285 3.116 50 0 IGAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3C(=O)c3ccccc3)C2=O)cc1 ZINC000014184253 556384515 /nfs/dbraw/zinc/38/45/15/556384515.db2.gz DLDVOQMHXHKPNK-UHFFFAOYSA-N 0 0 441.443 3.160 50 0 IGAARN COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014186080 556385683 /nfs/dbraw/zinc/38/56/83/556385683.db2.gz LDECGCVWRAXNNH-UHFFFAOYSA-N 0 0 428.919 3.225 50 0 IGAARN Cc1cccc2c(=O)n(CC(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cnc12 ZINC000014185955 556385787 /nfs/dbraw/zinc/38/57/87/556385787.db2.gz JNBYEWOMVRCEPD-UHFFFAOYSA-N 0 0 440.503 3.316 50 0 IGAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)c(Cl)c1 ZINC000012003135 556385883 /nfs/dbraw/zinc/38/58/83/556385883.db2.gz IWEROPGYYZZXPD-UHFFFAOYSA-N 0 0 443.931 3.329 50 0 IGAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000014199111 556390350 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IGAARN C[C@@H](OC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)C(=O)N1CCCCCC1 ZINC000014246022 556405787 /nfs/dbraw/zinc/40/57/87/556405787.db2.gz HPSYLCVOABMXTM-GOSISDBHSA-N 0 0 433.508 3.393 50 0 IGAARN CCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000014248926 556408040 /nfs/dbraw/zinc/40/80/40/556408040.db2.gz HUQWUWOPQRFPMP-UHFFFAOYSA-N 0 0 443.519 3.410 50 0 IGAARN CCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000032819588 556412205 /nfs/dbraw/zinc/41/22/05/556412205.db2.gz WYCMCMKCMMUQSK-LJQANCHMSA-N 0 0 430.526 3.123 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032672126 556414851 /nfs/dbraw/zinc/41/48/51/556414851.db2.gz BLWXXRHAMWVHAG-INIZCTEOSA-N 0 0 441.509 3.289 50 0 IGAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000032675539 556415617 /nfs/dbraw/zinc/41/56/17/556415617.db2.gz RQTMWILELYTVCN-JOCHJYFZSA-N 0 0 430.545 3.460 50 0 IGAARN CCOC(=O)C1=C(COc2ccc(-c3nnco3)cc2)NC(=O)N[C@@H]1c1cccs1 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O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014693884 556432817 /nfs/dbraw/zinc/43/28/17/556432817.db2.gz UJRRZLGICMHQPV-UHFFFAOYSA-N 0 0 426.460 3.171 50 0 IGAARN Cc1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1Br ZINC000013000727 556433119 /nfs/dbraw/zinc/43/31/19/556433119.db2.gz NBMSBDYWFDYWHT-UHFFFAOYSA-N 0 0 439.375 3.068 50 0 IGAARN CC(C)c1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000027817616 556433316 /nfs/dbraw/zinc/43/33/16/556433316.db2.gz RMOIQRAMDCWZRL-LLVKDONJSA-N 0 0 449.396 3.085 50 0 IGAARN CCn1c(=O)c2sccc2nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000027850913 556434196 /nfs/dbraw/zinc/43/41/96/556434196.db2.gz JQWBYOOOGRIYIE-UHFFFAOYSA-N 0 0 432.546 3.058 50 0 IGAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000027841749 556434290 /nfs/dbraw/zinc/43/42/90/556434290.db2.gz RRNFPYBNMSGLOX-QGZVFWFLSA-N 0 0 437.569 3.085 50 0 IGAARN O=c1cc(Cn2cnc3sc4c(c3c2=O)CCSC4)nc2sc3c(n21)CCCC3 ZINC000032850527 556435592 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0 IGAARN COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000015596621 556536803 /nfs/dbraw/zinc/53/68/03/556536803.db2.gz GVWNRUTZKIQJTF-HNNXBMFYSA-N 0 0 449.554 3.184 50 0 IGAARN CC(=O)Nc1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000015600955 556537203 /nfs/dbraw/zinc/53/72/03/556537203.db2.gz UKSDBZIUIGMHAH-UHFFFAOYSA-N 0 0 442.537 3.140 50 0 IGAARN O=C(Nc1ccccc1O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000032719881 556538566 /nfs/dbraw/zinc/53/85/66/556538566.db2.gz BTLHBHCNPZYXSZ-UHFFFAOYSA-N 0 0 428.432 3.450 50 0 IGAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)N3CCCCC3)cc1)c2=O ZINC000032959261 556540916 /nfs/dbraw/zinc/54/09/16/556540916.db2.gz UKGVJDXJEYHEIX-UHFFFAOYSA-N 0 0 437.521 3.016 50 0 IGAARN CCn1ncc(-c2ccnc3c(C(=O)N4CC[C@H](C(F)(F)F)n5nccc54)cnn32)c1C ZINC000013644608 556543188 /nfs/dbraw/zinc/54/31/88/556543188.db2.gz JOTQVXVNDARBPJ-MRXNPFEDSA-N 0 0 444.421 3.272 50 0 IGAARN CCCn1c(CCC(=O)NC(C)(C)CC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000032904815 556544637 /nfs/dbraw/zinc/54/46/37/556544637.db2.gz ISIPIVXSWSYDRL-UHFFFAOYSA-N 0 0 434.606 3.468 50 0 IGAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)ccc1OCc1ccccc1 ZINC000032671050 556546225 /nfs/dbraw/zinc/54/62/25/556546225.db2.gz OKLRFUGPTCCWRJ-QFIPXVFZSA-N 0 0 440.496 3.482 50 0 IGAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C ZINC000015779857 556551084 /nfs/dbraw/zinc/55/10/84/556551084.db2.gz CZOIGJPTRADLFP-UHFFFAOYSA-N 0 0 445.479 3.036 50 0 IGAARN COc1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1OC ZINC000015779930 556551145 /nfs/dbraw/zinc/55/11/45/556551145.db2.gz KNSNFHGJXBEBLK-UHFFFAOYSA-N 0 0 447.495 3.016 50 0 IGAARN CCn1c2c(nc(CCC(=O)NCc3ccc(OC)cc3)c1=O)c(C)nn2-c1ccccc1 ZINC000015780025 556551504 /nfs/dbraw/zinc/55/15/04/556551504.db2.gz SRRIIZHZYWXJQR-UHFFFAOYSA-N 0 0 445.523 3.168 50 0 IGAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000033088156 556553896 /nfs/dbraw/zinc/55/38/96/556553896.db2.gz IVKBXCOLOARXFF-AWEZNQCLSA-N 0 0 427.390 3.420 50 0 IGAARN COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000013674386 556553992 /nfs/dbraw/zinc/55/39/92/556553992.db2.gz HGFKRHFQLXHDMT-UHFFFAOYSA-N 0 0 430.526 3.129 50 0 IGAARN COc1ccc(OC)c(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1 ZINC000033162034 556556275 /nfs/dbraw/zinc/55/62/75/556556275.db2.gz KXIHHVNNZQHDKA-YBEGLDIGSA-N 0 0 444.310 3.145 50 0 IGAARN COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)cc1OC ZINC000015846290 556557266 /nfs/dbraw/zinc/55/72/66/556557266.db2.gz GGOAXAYJEKCADF-UHFFFAOYSA-N 0 0 434.558 3.014 50 0 IGAARN CN(CC(F)F)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000072307133 556561398 /nfs/dbraw/zinc/56/13/98/556561398.db2.gz CXPDPCWFLUODEZ-SFHVURJKSA-N 0 0 435.540 3.277 50 0 IGAARN O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N(CCc1ccccc1)Cc1cccs1 ZINC000032908334 556564496 /nfs/dbraw/zinc/56/44/96/556564496.db2.gz OBDXGFPLPNJSAV-UHFFFAOYSA-N 0 0 446.532 3.366 50 0 IGAARN COCCN(Cc1noc(C(C)(C)C)n1)[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000072308455 556565020 /nfs/dbraw/zinc/56/50/20/556565020.db2.gz UVAZBABEXPDSDW-INIZCTEOSA-N 0 0 440.338 3.492 50 0 IGAARN COc1ccccc1CN1C[C@@H](C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)CCC1=O ZINC000015934821 556565725 /nfs/dbraw/zinc/56/57/25/556565725.db2.gz OAXOMHURDGBAJR-KRWDZBQOSA-N 0 0 438.503 3.150 50 0 IGAARN O=C(NCc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1)c1ccccc1 ZINC000072309135 556569376 /nfs/dbraw/zinc/56/93/76/556569376.db2.gz MVKQAHFAVAFQAU-UHFFFAOYSA-N 0 0 426.586 3.298 50 0 IGAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000071326638 556572423 /nfs/dbraw/zinc/57/24/23/556572423.db2.gz NDNHHAGTGRXJSL-UHFFFAOYSA-N 0 0 444.582 3.432 50 0 IGAARN CCOc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC ZINC000016003738 556573050 /nfs/dbraw/zinc/57/30/50/556573050.db2.gz AQEHYTWHPHOJKV-UHFFFAOYSA-N 0 0 436.530 3.142 50 0 IGAARN Cc1c(C(=O)NCc2nnc3n2CCCCC3)cnn1-c1ccc(Br)cc1 ZINC000032909448 556573325 /nfs/dbraw/zinc/57/33/25/556573325.db2.gz UKGZAZHGIJIPTC-UHFFFAOYSA-N 0 0 429.322 3.191 50 0 IGAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000016009944 556573719 /nfs/dbraw/zinc/57/37/19/556573719.db2.gz KHHQQCJHBMZATJ-GSRZOBFVSA-N 0 0 435.911 3.388 50 0 IGAARN CC(=O)N[C@H](C)c1nc2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000032909545 556573930 /nfs/dbraw/zinc/57/39/30/556573930.db2.gz UNZGSPKSZRKMSK-CZUORRHYSA-N 0 0 432.318 3.436 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000001134144 556574115 /nfs/dbraw/zinc/57/41/15/556574115.db2.gz ONCFOHLOAFVZOZ-UHFFFAOYSA-N 0 0 439.541 3.276 50 0 IGAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012126 556574145 /nfs/dbraw/zinc/57/41/45/556574145.db2.gz KHHKVDWKRIGLCF-DDOIHHOZSA-N 0 0 439.874 3.219 50 0 IGAARN Cc1nn(CC(=O)N2c3c(c(C)nn3C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(C)c1Cl ZINC000072310518 556576117 /nfs/dbraw/zinc/57/61/17/556576117.db2.gz 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COc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000032974037 556596019 /nfs/dbraw/zinc/59/60/19/556596019.db2.gz KDUKXNPJRPRZTM-UHFFFAOYSA-N 0 0 436.961 3.456 50 0 IGAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000016305472 556599143 /nfs/dbraw/zinc/59/91/43/556599143.db2.gz HSZBWVRVJBCUCP-OAHLLOKOSA-N 0 0 430.860 3.328 50 0 IGAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000032975633 556600102 /nfs/dbraw/zinc/60/01/02/556600102.db2.gz UUNSABMXZOADOL-PMACEKPBSA-N 0 0 438.549 3.422 50 0 IGAARN CCN1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016393516 556604803 /nfs/dbraw/zinc/60/48/03/556604803.db2.gz NKLYJFJZJOVDGE-UHFFFAOYSA-N 0 0 435.977 3.008 50 0 IGAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000016400598 556605500 /nfs/dbraw/zinc/60/55/00/556605500.db2.gz RROOITBFNGIXCE-UHFFFAOYSA-N 0 0 436.489 3.462 50 0 IGAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCCC3=CCCCC3)s2)cc1 ZINC000032987388 556607423 /nfs/dbraw/zinc/60/74/23/556607423.db2.gz BRMVJEFHZOJXPQ-UHFFFAOYSA-N 0 0 430.530 3.322 50 0 IGAARN CCOc1ccc([C@@H](NC(=O)CCn2nnc3ccccc3c2=O)c2ccccc2)cc1 ZINC000032914805 556607674 /nfs/dbraw/zinc/60/76/74/556607674.db2.gz NBZDXUDPWDEBTI-DEOSSOPVSA-N 0 0 428.492 3.486 50 0 IGAARN CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000032914486 556607727 /nfs/dbraw/zinc/60/77/27/556607727.db2.gz NKQHMLSQXDGBNA-UHFFFAOYSA-N 0 0 429.542 3.044 50 0 IGAARN CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016447553 556607995 /nfs/dbraw/zinc/60/79/95/556607995.db2.gz LWSRVLROUXGGFQ-NIRMEOIISA-N 0 0 446.613 3.216 50 0 IGAARN COc1ccccc1C1(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)CCOCC1 ZINC000071889787 556608541 /nfs/dbraw/zinc/60/85/41/556608541.db2.gz UJBUOLNTEVDNTD-UHFFFAOYSA-N 0 0 443.525 3.092 50 0 IGAARN CNC(=O)c1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1 ZINC000032988462 556608785 /nfs/dbraw/zinc/60/87/85/556608785.db2.gz OHXGVGSGTWNLQU-OAQYLSRUSA-N 0 0 439.537 3.141 50 0 IGAARN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(I)c(O)c(OC)c2)C1 ZINC000016662945 556621265 /nfs/dbraw/zinc/62/12/65/556621265.db2.gz UJDNIAVEGBLNDR-AWEZNQCLSA-N 0 0 446.329 3.086 50 0 IGAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000033686351 556621311 /nfs/dbraw/zinc/62/13/11/556621311.db2.gz XCDGSTVRYWIJFL-UHFFFAOYSA-N 0 0 440.544 3.334 50 0 IGAARN O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000016699114 556629119 /nfs/dbraw/zinc/62/91/19/556629119.db2.gz XWLDZRODALNBLM-INIZCTEOSA-N 0 0 426.904 3.069 50 0 IGAARN CCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000016735565 556633100 /nfs/dbraw/zinc/63/31/00/556633100.db2.gz ZKPXRYBKRBEVQE-UYRXBGFRSA-N 0 0 439.924 3.092 50 0 IGAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000040267191 556634215 /nfs/dbraw/zinc/63/42/15/556634215.db2.gz FPIUTHHUXLTCCT-AWEZNQCLSA-N 0 0 427.390 3.420 50 0 IGAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1OC ZINC000040282790 556634334 /nfs/dbraw/zinc/63/43/34/556634334.db2.gz FBWNJICUXGRPQF-GOTSBHOMSA-N 0 0 431.492 3.326 50 0 IGAARN COc1ccc(OC)c2[nH]c(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc21 ZINC000409414563 556639783 /nfs/dbraw/zinc/63/97/83/556639783.db2.gz MQYASAVVFJDAIJ-UHFFFAOYSA-N 0 0 425.485 3.148 50 0 IGAARN COCc1nn2c(ncc3c2ccn(-n2c(C)nnc2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397813 556640067 /nfs/dbraw/zinc/64/00/67/556640067.db2.gz KXMRUWHHXLUOKY-UHFFFAOYSA-N 0 0 435.875 3.031 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719715 556644718 /nfs/dbraw/zinc/64/47/18/556644718.db2.gz KLQBHUOLCDXTEI-LBPRGKRZSA-N 0 0 445.969 3.311 50 0 IGAARN CC(C)CN(C[C@H]1CN(C(=O)COc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037609010 556645839 /nfs/dbraw/zinc/64/58/39/556645839.db2.gz WKGKNGPDNUTLBY-JOCHJYFZSA-N 0 0 428.504 3.230 50 0 IGAARN COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1 ZINC000016842739 556646406 /nfs/dbraw/zinc/64/64/06/556646406.db2.gz 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COc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954261 556650100 /nfs/dbraw/zinc/65/01/00/556650100.db2.gz UJOHYYSFWJUGJR-UHFFFAOYSA-N 0 0 445.527 3.312 50 0 IGAARN C[C@H](NC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1)c1ccco1 ZINC000011747878 556650273 /nfs/dbraw/zinc/65/02/73/556650273.db2.gz BYPNVRVYVQWVRA-IRXDYDNUSA-N 0 0 433.578 3.256 50 0 IGAARN COc1ccc(-n2nnc(C(=O)NCc3cc(OC)ccc3OC)c2-c2cccnc2)cc1 ZINC000038487708 556650593 /nfs/dbraw/zinc/65/05/93/556650593.db2.gz OUUDYGRYDFHMIJ-UHFFFAOYSA-N 0 0 445.479 3.285 50 0 IGAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751320 556650908 /nfs/dbraw/zinc/65/09/08/556650908.db2.gz VDAHZPFBFFRTCX-FQEVSTJZSA-N 0 0 425.510 3.390 50 0 IGAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751321 556650963 /nfs/dbraw/zinc/65/09/63/556650963.db2.gz VDAHZPFBFFRTCX-HXUWFJFHSA-N 0 0 425.510 3.390 50 0 IGAARN CN(c1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)cc1)S(C)(=O)=O ZINC000016963086 556651460 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CCOCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002448206 562927769 /nfs/dbraw/zinc/92/77/69/562927769.db2.gz RBRXWXQHMVZXJO-UHFFFAOYSA-N 0 0 433.468 3.041 50 0 IGAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 ZINC000002618086 562928427 /nfs/dbraw/zinc/92/84/27/562928427.db2.gz JWMQZRWTEZTVMV-HZPDHXFCSA-N 0 0 430.526 3.012 50 0 IGAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc[nH]1 ZINC000002624661 562928646 /nfs/dbraw/zinc/92/86/46/562928646.db2.gz XSZUHKUDOYJAQQ-UHFFFAOYSA-N 0 0 432.527 3.214 50 0 IGAARN COc1ccc(S(=O)(=O)N[C@H](CC(=O)N2CCc3ccccc32)c2ccco2)cc1 ZINC000002938492 562930896 /nfs/dbraw/zinc/93/08/96/562930896.db2.gz YKNIBQHRTAJCHX-LJQANCHMSA-N 0 0 426.494 3.287 50 0 IGAARN CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000003216274 562932875 /nfs/dbraw/zinc/93/28/75/562932875.db2.gz OFQKYTNYSALRBG-UHFFFAOYSA-N 0 0 439.965 3.221 50 0 IGAARN CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000003320664 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CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000015781421 568825782 /nfs/dbraw/zinc/82/57/82/568825782.db2.gz DMFBIXVGXJKWQJ-UHFFFAOYSA-N 0 0 426.535 3.427 50 0 IGAARN Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1nnc2c3ccccc3c(C)nn21 ZINC000006110703 568828452 /nfs/dbraw/zinc/82/84/52/568828452.db2.gz RMONBFSWTHQHMW-UHFFFAOYSA-N 0 0 444.520 3.435 50 0 IGAARN COc1cc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc(OC)c1 ZINC000085641938 568829059 /nfs/dbraw/zinc/82/90/59/568829059.db2.gz UMYPPVVGRGDZJP-UHFFFAOYSA-N 0 0 429.498 3.129 50 0 IGAARN CCCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000085643711 568829148 /nfs/dbraw/zinc/82/91/48/568829148.db2.gz HCUPSUAKMOXXJY-UHFFFAOYSA-N 0 0 439.578 3.318 50 0 IGAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1OC ZINC000085644339 568829289 /nfs/dbraw/zinc/82/92/89/568829289.db2.gz CARBIXLRQUVNMM-UHFFFAOYSA-N 0 0 448.435 3.145 50 0 IGAARN CCOc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)cc5)nn4ccn3c2=O)cc1 ZINC000085643035 568829481 /nfs/dbraw/zinc/82/94/81/568829481.db2.gz RCHKUBIJBWWFKH-UHFFFAOYSA-N 0 0 442.479 3.157 50 0 IGAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(F)c1 ZINC000085645236 568829838 /nfs/dbraw/zinc/82/98/38/568829838.db2.gz FBLBBYHEFZNCSX-UHFFFAOYSA-N 0 0 445.520 3.164 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)CCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000085645535 568830614 /nfs/dbraw/zinc/83/06/14/568830614.db2.gz KSKMAGVYIVMVTI-UHFFFAOYSA-N 0 0 435.937 3.062 50 0 IGAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000085651608 568831461 /nfs/dbraw/zinc/83/14/61/568831461.db2.gz JDXRTUXUTJPPRU-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(F)c(F)c4)CC3)ccc2=O)cc1C ZINC000085654139 568832391 /nfs/dbraw/zinc/83/23/91/568832391.db2.gz TTWLQWPMFNQIDF-UHFFFAOYSA-N 0 0 438.478 3.480 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000085712713 568835627 /nfs/dbraw/zinc/83/56/27/568835627.db2.gz BPTSKRUXVXOMDI-GOSISDBHSA-N 0 0 434.558 3.487 50 0 IGAARN Cc1ccc(N2C(=O)N(CC(=O)NCCC(C)C)c3ccccc3S2(=O)=O)cc1F ZINC000015827014 568840878 /nfs/dbraw/zinc/84/08/78/568840878.db2.gz QKGVSDOBMSIKLO-UHFFFAOYSA-N 0 0 433.505 3.432 50 0 IGAARN CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000025691770 568842562 /nfs/dbraw/zinc/84/25/62/568842562.db2.gz AQGNAWPCVFCZDK-LEWJYISDSA-N 0 0 442.512 3.078 50 0 IGAARN CCn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccccc4OC)CC3)ccc21 ZINC000015864969 568849928 /nfs/dbraw/zinc/84/99/28/568849928.db2.gz MSUPFQGDMOFKMT-UHFFFAOYSA-N 0 0 442.541 3.208 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1C ZINC000015882335 568856282 /nfs/dbraw/zinc/85/62/82/568856282.db2.gz OGKNPJNGKMSEFG-UHFFFAOYSA-N 0 0 443.617 3.293 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)cc1OC ZINC000015882707 568857220 /nfs/dbraw/zinc/85/72/20/568857220.db2.gz KKACAKGINFDYMC-UHFFFAOYSA-N 0 0 425.536 3.206 50 0 IGAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(C)ccc1C ZINC000015883558 568857831 /nfs/dbraw/zinc/85/78/31/568857831.db2.gz LTWRAGRBAZWDCO-UHFFFAOYSA-N 0 0 440.569 3.322 50 0 IGAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)S1(=O)=O ZINC000575414131 568861110 /nfs/dbraw/zinc/86/11/10/568861110.db2.gz VVSNOZPATPAZDY-UHFFFAOYSA-N 0 0 436.537 3.283 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2coc(-c3ccc(C)cc3C)n2)CC1 ZINC000012939272 568868013 /nfs/dbraw/zinc/86/80/13/568868013.db2.gz BNSMUKVIHLOBPD-UHFFFAOYSA-N 0 0 430.530 3.070 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000012939721 568868681 /nfs/dbraw/zinc/86/86/81/568868681.db2.gz KFSNXCLFWASXCX-UHFFFAOYSA-N 0 0 426.538 3.119 50 0 IGAARN CCCn1c2ccccc2n(CCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1=O ZINC000016234828 568874225 /nfs/dbraw/zinc/87/42/25/568874225.db2.gz LSIDJMCPDGQBOZ-SFHVURJKSA-N 0 0 432.528 3.403 50 0 IGAARN O=C(CN1CCC(NC(=O)NCCOc2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000026283200 568876279 /nfs/dbraw/zinc/87/62/79/568876279.db2.gz YYRJRIXJJLAPFY-UHFFFAOYSA-N 0 0 430.936 3.121 50 0 IGAARN Cn1c(=O)n(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)nc1C(F)(F)F ZINC000575606200 568878033 /nfs/dbraw/zinc/87/80/33/568878033.db2.gz FGIVBMUSRVWUCM-UHFFFAOYSA-N 0 0 429.251 3.446 50 0 IGAARN Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 ZINC000575612757 568879608 /nfs/dbraw/zinc/87/96/08/568879608.db2.gz MMMRSCOJPZWKPU-GFCCVEGCSA-N 0 0 432.365 3.150 50 0 IGAARN Cc1ccccc1-c1noc(CCC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 ZINC000575614468 568879875 /nfs/dbraw/zinc/87/98/75/568879875.db2.gz UFJRXXIVHKZTLK-UHFFFAOYSA-N 0 0 446.433 3.135 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](c3cccs3)n3cccn3)n(C)n2)c1 ZINC000575613987 568879956 /nfs/dbraw/zinc/87/99/56/568879956.db2.gz NJGHALNQTXSGSZ-LJQANCHMSA-N 0 0 437.525 3.382 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)Nc3ccccc3)cc2)CC1 ZINC000009460327 568883428 /nfs/dbraw/zinc/88/34/28/568883428.db2.gz KISWIBAAPGFLOJ-UHFFFAOYSA-N 0 0 444.557 3.258 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1C ZINC000012962217 568884620 /nfs/dbraw/zinc/88/46/20/568884620.db2.gz HFWDHNGSQJRENJ-GFCCVEGCSA-N 0 0 435.860 3.200 50 0 IGAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000090558885 568887797 /nfs/dbraw/zinc/88/77/97/568887797.db2.gz AWPKLQXTJCWLRD-UHFFFAOYSA-N 0 0 445.932 3.173 50 0 IGAARN Cc1cccn2cc(-c3cccc(NC(=O)C4CCN(c5ccc(=O)n(C)n5)CC4)c3)nc12 ZINC000090592574 568888760 /nfs/dbraw/zinc/88/87/60/568888760.db2.gz ANOXDZBJTSDMGN-UHFFFAOYSA-N 0 0 442.523 3.259 50 0 IGAARN Cn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc(Br)s1 ZINC000090606980 568889770 /nfs/dbraw/zinc/88/97/70/568889770.db2.gz HOTSIKKROGAKSZ-UHFFFAOYSA-N 0 0 432.390 3.494 50 0 IGAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)CCO2 ZINC000090607263 568889851 /nfs/dbraw/zinc/88/98/51/568889851.db2.gz HMNJQGVMHFHNGQ-CYBMUJFWSA-N 0 0 431.377 3.027 50 0 IGAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000090607795 568890152 /nfs/dbraw/zinc/89/01/52/568890152.db2.gz JUGVYOVBYJQFCB-UHFFFAOYSA-N 0 0 438.340 3.085 50 0 IGAARN O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000090614064 568892430 /nfs/dbraw/zinc/89/24/30/568892430.db2.gz IHWBKRWEHSHZBF-MRXNPFEDSA-N 0 0 442.479 3.342 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCCC[C@@H]1CC ZINC000006341841 568892932 /nfs/dbraw/zinc/89/29/32/568892932.db2.gz FGGNGTMVTJHDQN-HNNXBMFYSA-N 0 0 438.619 3.367 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064165493 568893580 /nfs/dbraw/zinc/89/35/80/568893580.db2.gz VTZNPOVOFZEUCE-VUMVONDWSA-N 0 0 437.471 3.273 50 0 IGAARN C[C@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012995725 568896777 /nfs/dbraw/zinc/89/67/77/568896777.db2.gz WONCFDOLZGAKOA-KRWDZBQOSA-N 0 0 449.532 3.123 50 0 IGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000013015323 568901354 /nfs/dbraw/zinc/90/13/54/568901354.db2.gz BLGGCUGHXQVUBU-MRXNPFEDSA-N 0 0 429.464 3.151 50 0 IGAARN O=C(NCCc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013017226 568901665 /nfs/dbraw/zinc/90/16/65/568901665.db2.gz KROWVFBWIUZKMR-UHFFFAOYSA-N 0 0 448.397 3.314 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC(F)F)C2)s1 ZINC000013015961 568901683 /nfs/dbraw/zinc/90/16/83/568901683.db2.gz IERWMJHCIIEAJW-OAHLLOKOSA-N 0 0 444.525 3.375 50 0 IGAARN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013018421 568901771 /nfs/dbraw/zinc/90/17/71/568901771.db2.gz PHTWZVPSPQVABK-LJQANCHMSA-N 0 0 441.597 3.126 50 0 IGAARN O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000013024274 568902599 /nfs/dbraw/zinc/90/25/99/568902599.db2.gz GFTAQMVCZPURAT-SIKLNZKXSA-N 0 0 434.471 3.176 50 0 IGAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000253412067 568903362 /nfs/dbraw/zinc/90/33/62/568903362.db2.gz PTIAWSZOHKROTB-UNMCSNQZSA-N 0 0 445.523 3.264 50 0 IGAARN COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)c1 ZINC000239377950 568911349 /nfs/dbraw/zinc/91/13/49/568911349.db2.gz OFABUOFVAURICK-RVKKMQEKSA-N 0 0 428.794 3.453 50 0 IGAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)cc1 ZINC000245256751 568913981 /nfs/dbraw/zinc/91/39/81/568913981.db2.gz SGFCGXPPKHOTIJ-OUHFAEGLSA-N 0 0 430.460 3.072 50 0 IGAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247854337 568918771 /nfs/dbraw/zinc/91/87/71/568918771.db2.gz XFFVODIUDCYXEW-LVBDUCALSA-N 0 0 439.874 3.219 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000089331123 568920579 /nfs/dbraw/zinc/92/05/79/568920579.db2.gz HIDITJWFHAFDAM-UHFFFAOYSA-N 0 0 436.533 3.416 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001917010 568922677 /nfs/dbraw/zinc/92/26/77/568922677.db2.gz HQRHUQUZGIAIIJ-LJQANCHMSA-N 0 0 428.872 3.451 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917048 568922678 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O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc2c(c1)OCCO2 ZINC000009529585 569544908 /nfs/dbraw/zinc/54/49/08/569544908.db2.gz ZMBIKKYLCMUBFV-UHFFFAOYSA-N 0 0 438.509 3.316 50 0 IGAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c2ccccc2S1 ZINC000009532793 569545342 /nfs/dbraw/zinc/54/53/42/569545342.db2.gz VENADVCCFHRCPQ-CMJOXMDJSA-N 0 0 437.521 3.134 50 0 IGAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c2ccccc2S1 ZINC000009532795 569545348 /nfs/dbraw/zinc/54/53/48/569545348.db2.gz VENADVCCFHRCPQ-WNSKOXEYSA-N 0 0 437.521 3.134 50 0 IGAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC2 ZINC000009533304 569545431 /nfs/dbraw/zinc/54/54/31/569545431.db2.gz CKGRLYGMAQOHBE-FQEVSTJZSA-N 0 0 447.582 3.452 50 0 IGAARN NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009538131 569545629 /nfs/dbraw/zinc/54/56/29/569545629.db2.gz HKEPJIHCECIBLR-UHFFFAOYSA-N 0 0 446.488 3.495 50 0 IGAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009548490 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Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000009709228 569561998 /nfs/dbraw/zinc/56/19/98/569561998.db2.gz FLBJGDJCUOMHHV-UHFFFAOYSA-N 0 0 430.512 3.474 50 0 IGAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009712515 569562337 /nfs/dbraw/zinc/56/23/37/569562337.db2.gz AJJDFRVXYQAJJZ-CABCVRRESA-N 0 0 434.480 3.292 50 0 IGAARN CCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2OC)n(C)c1=O ZINC000009713288 569562551 /nfs/dbraw/zinc/56/25/51/569562551.db2.gz ALEHRNMINCZZLP-UHFFFAOYSA-N 0 0 429.480 3.224 50 0 IGAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccccc2C)n(C)c1=O ZINC000009713220 569562557 /nfs/dbraw/zinc/56/25/57/569562557.db2.gz AZYYNPHAZJQZNU-INIZCTEOSA-N 0 0 441.491 3.264 50 0 IGAARN CNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000009714878 569562920 /nfs/dbraw/zinc/56/29/20/569562920.db2.gz AJFNKLICNZGBPN-UHFFFAOYSA-N 0 0 445.522 3.169 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cccc(OC)c1 ZINC000009716017 569563131 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3.499 50 0 IGAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000009740368 569565134 /nfs/dbraw/zinc/56/51/34/569565134.db2.gz RHROLLGIAFZWRK-UHFFFAOYSA-N 0 0 448.884 3.435 50 0 IGAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009740520 569565152 /nfs/dbraw/zinc/56/51/52/569565152.db2.gz YEKMTTMUHALELF-FQEVSTJZSA-N 0 0 435.523 3.090 50 0 IGAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000009742957 569565402 /nfs/dbraw/zinc/56/54/02/569565402.db2.gz MIXCVQCVFUKKGJ-SFHVURJKSA-N 0 0 449.960 3.028 50 0 IGAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)CN(C)c3nc4c(cccc4OC)s3)nc21 ZINC000070973440 569565782 /nfs/dbraw/zinc/56/57/82/569565782.db2.gz RCEYEUOUJCDWOW-NSHDSACASA-N 0 0 446.554 3.429 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000009751305 569566058 /nfs/dbraw/zinc/56/60/58/569566058.db2.gz LPZBNLWLUUFABZ-TZIWHRDSSA-N 0 0 432.586 3.329 50 0 IGAARN CCOc1ccc(-n2ccnc(SCC(=O)NCc3ccc(OC)cc3)c2=O)cc1 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432.542 3.302 50 0 IGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCCCC2)cc1 ZINC000000890159 555579473 /nfs/dbraw/zinc/57/94/73/555579473.db2.gz TWXBSGCKPOVUFL-JOCHJYFZSA-N 0 0 428.554 3.213 50 0 IGAARN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(I)cc1 ZINC000000983430 555594257 /nfs/dbraw/zinc/59/42/57/555594257.db2.gz PVFMBOSCAOYQEH-UHFFFAOYSA-N 0 0 437.262 3.259 50 0 IGAARN CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000986268 555594795 /nfs/dbraw/zinc/59/47/95/555594795.db2.gz IJSZYOHCJLMRCE-UHFFFAOYSA-N 0 0 447.376 3.327 50 0 IGAARN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 ZINC000000991345 555596604 /nfs/dbraw/zinc/59/66/04/555596604.db2.gz MFAFZYVVRIUNOY-UHFFFAOYSA-N 0 0 431.400 3.241 50 0 IGAARN CC(C)c1cc(Br)c(NC(=O)NCCN2CCNC2=O)c(Br)c1 ZINC000001031118 555605631 /nfs/dbraw/zinc/60/56/31/555605631.db2.gz WJLQQUNHTPUYKB-UHFFFAOYSA-N 0 0 448.159 3.482 50 0 IGAARN O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl ZINC000001048474 555611762 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COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3O)[nH]n1)CCCC2 ZINC000008845185 556226867 /nfs/dbraw/zinc/22/68/67/556226867.db2.gz RQFUZGWPQBBXEJ-UHFFFAOYSA-N 0 0 440.525 3.351 50 0 IGAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1C ZINC000009011501 556240890 /nfs/dbraw/zinc/24/08/90/556240890.db2.gz GYNNYINZVBKWMF-UHFFFAOYSA-N 0 0 432.432 3.488 50 0 IGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3oc2=O)cc1 ZINC000009044275 556242344 /nfs/dbraw/zinc/24/23/44/556242344.db2.gz ZWCFHYLPKNELRJ-QGZVFWFLSA-N 0 0 443.525 3.186 50 0 IGAARN O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)NCCCc1ccccc1 ZINC000009129910 556248820 /nfs/dbraw/zinc/24/88/20/556248820.db2.gz HUSKGOOTXNWMKM-UHFFFAOYSA-N 0 0 436.512 3.345 50 0 IGAARN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)N1CCOCC1 ZINC000009184844 556250211 /nfs/dbraw/zinc/25/02/11/556250211.db2.gz NJESEIRNEWVGCI-IEXUWNMDSA-N 0 0 439.895 3.481 50 0 IGAARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O ZINC000009190884 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ZINC000012976210 556421913 /nfs/dbraw/zinc/42/19/13/556421913.db2.gz LVMGEHAVRNYRPW-UHFFFAOYSA-N 0 0 430.306 3.233 50 0 IGAARN O=C(Cc1cscn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 ZINC000014534714 556422816 /nfs/dbraw/zinc/42/28/16/556422816.db2.gz LFJDMWWYWVDYPA-NRFANRHFSA-N 0 0 427.570 3.275 50 0 IGAARN COC(=O)c1c(NC(=O)C2CC2)c2cc(N[C@@H](C)CCO)cnc2n1Cc1ccccc1 ZINC000014540631 556425244 /nfs/dbraw/zinc/42/52/44/556425244.db2.gz WTEYAVBJMDSXJQ-HNNXBMFYSA-N 0 0 436.512 3.403 50 0 IGAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)ccc1C ZINC000012984835 556426240 /nfs/dbraw/zinc/42/62/40/556426240.db2.gz NJRAOUJRIBOQEY-UHFFFAOYSA-N 0 0 427.530 3.358 50 0 IGAARN O=C(CN1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1)Nc1ccc(F)cc1 ZINC000012986879 556427277 /nfs/dbraw/zinc/42/72/77/556427277.db2.gz FZXCNOLWPWKUAN-UHFFFAOYSA-N 0 0 440.302 3.294 50 0 IGAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000032841631 556427280 /nfs/dbraw/zinc/42/72/80/556427280.db2.gz 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Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@@H]3COc4ccccc4O3)CCCC2)cc1C ZINC000032856170 556433696 /nfs/dbraw/zinc/43/36/96/556433696.db2.gz XDEBVNZXYWCDLC-GOSISDBHSA-N 0 0 429.538 3.346 50 0 IGAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nc2sccc2c(=O)[nH]1 ZINC000032858451 556434843 /nfs/dbraw/zinc/43/48/43/556434843.db2.gz NNKVCCVZWSLTRE-UHFFFAOYSA-N 0 0 439.566 3.255 50 0 IGAARN CCCn1nc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)ccc1=O ZINC000027916151 556435224 /nfs/dbraw/zinc/43/52/24/556435224.db2.gz MLSBURYKPXMAAM-UHFFFAOYSA-N 0 0 436.537 3.474 50 0 IGAARN CCOCCCNc1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000013010898 556435738 /nfs/dbraw/zinc/43/57/38/556435738.db2.gz KRMILETYVFVBNS-ZDUSSCGKSA-N 0 0 438.575 3.117 50 0 IGAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000032850717 556436036 /nfs/dbraw/zinc/43/60/36/556436036.db2.gz JWQXSHFSOMOQKA-LBPRGKRZSA-N 0 0 447.479 3.233 50 0 IGAARN O=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000013016685 556438348 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ZINC000013063804 556452277 /nfs/dbraw/zinc/45/22/77/556452277.db2.gz SXAOXPBNFZLSAF-SFHVURJKSA-N 0 0 435.549 3.419 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000013070715 556453390 /nfs/dbraw/zinc/45/33/90/556453390.db2.gz BTVCAWLSDRHTBZ-QGZVFWFLSA-N 0 0 444.557 3.318 50 0 IGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000013072386 556453970 /nfs/dbraw/zinc/45/39/70/556453970.db2.gz MADOCERTAALDGM-UHFFFAOYSA-N 0 0 448.522 3.381 50 0 IGAARN Cc1ccc2cc(COC(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)c(Cl)nc2c1 ZINC000013074590 556455051 /nfs/dbraw/zinc/45/50/51/556455051.db2.gz WJZKABBWVCDPQN-ZDUSSCGKSA-N 0 0 443.912 3.367 50 0 IGAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245336 556456623 /nfs/dbraw/zinc/45/66/23/556456623.db2.gz UFTGWPRUPYKJHI-CRAIPNDOSA-N 0 0 425.581 3.275 50 0 IGAARN CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000072276956 556456957 /nfs/dbraw/zinc/45/69/57/556456957.db2.gz 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COc1ccc(CCn2c(C)cc(C(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)c2C)cc1 ZINC000013100914 556460471 /nfs/dbraw/zinc/46/04/71/556460471.db2.gz ORXBEZYGWLHDJG-NRFANRHFSA-N 0 0 443.544 3.165 50 0 IGAARN O=c1c2c(ncn2C2CCCC2)n(Cc2ccccc2)c(=O)n1C[C@H](O)c1ccccc1F ZINC000028915250 556463814 /nfs/dbraw/zinc/46/38/14/556463814.db2.gz NYEVIBKSFRKCCQ-NRFANRHFSA-N 0 0 448.498 3.396 50 0 IGAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000013110175 556464239 /nfs/dbraw/zinc/46/42/39/556464239.db2.gz AMLBQMOQHHJCGC-ZTLYHTANSA-N 0 0 432.586 3.090 50 0 IGAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013114264 556466445 /nfs/dbraw/zinc/46/64/45/556466445.db2.gz LRPNGEAJHNQOSD-UHFFFAOYSA-N 0 0 444.488 3.232 50 0 IGAARN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN1CCC[C@@H](CO)C1 ZINC000014972006 556467380 /nfs/dbraw/zinc/46/73/80/556467380.db2.gz FMBFTDRIBYNWDX-OAHLLOKOSA-N 0 0 428.920 3.455 50 0 IGAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 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Cc1cc(=O)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)nn1-c1ccc(Cl)cc1 ZINC000030218600 556491509 /nfs/dbraw/zinc/49/15/09/556491509.db2.gz MTCOYZCJZQGSPN-UHFFFAOYSA-N 0 0 433.899 3.369 50 0 IGAARN CCOC(=O)c1ccc(N2CCN(C(=O)CSc3nc4ccccc4s3)CC2)nc1 ZINC000030436305 556494436 /nfs/dbraw/zinc/49/44/36/556494436.db2.gz CITIEAUHQOXXSW-UHFFFAOYSA-N 0 0 442.566 3.309 50 0 IGAARN COCc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)o1 ZINC000015069076 556494613 /nfs/dbraw/zinc/49/46/13/556494613.db2.gz RGKNKEMQBQMTEP-KRWDZBQOSA-N 0 0 429.542 3.165 50 0 IGAARN CCOC(=O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000015070053 556494988 /nfs/dbraw/zinc/49/49/88/556494988.db2.gz NDXIZDUCXDNYCK-UHFFFAOYSA-N 0 0 444.553 3.222 50 0 IGAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCSCc1ccc(Br)s1)CS2 ZINC000030513096 556495754 /nfs/dbraw/zinc/49/57/54/556495754.db2.gz RRGJGXJFYUHOLA-ABAIWWIYSA-N 0 0 435.434 3.314 50 0 IGAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 ZINC000015071421 556496313 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Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C2)c1 ZINC000034797399 556716752 /nfs/dbraw/zinc/71/67/52/556716752.db2.gz XIBMQTVQGBFPDD-UHFFFAOYSA-N 0 0 447.514 3.018 50 0 IGAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1ccc(F)cc1)N1CCCN21 ZINC000138557709 556718798 /nfs/dbraw/zinc/71/87/98/556718798.db2.gz AIYWZKPBBLQASD-RCCFBDPRSA-N 0 0 430.277 3.124 50 0 IGAARN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)NCCSc1ccc(Cl)cc1 ZINC000072325206 556722449 /nfs/dbraw/zinc/72/24/49/556722449.db2.gz YOTHXHPXAYWXQQ-IBGZPJMESA-N 0 0 443.956 3.200 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O ZINC000072329632 556727430 /nfs/dbraw/zinc/72/74/30/556727430.db2.gz DAOBBFDJIANFOF-UHFFFAOYSA-N 0 0 439.859 3.364 50 0 IGAARN Cc1ccccc1NC(=O)COC(=O)COc1ccc(I)cc1 ZINC000072330993 556728877 /nfs/dbraw/zinc/72/88/77/556728877.db2.gz OJFYXIQUXXBPJW-UHFFFAOYSA-N 0 0 425.222 3.160 50 0 IGAARN COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000054147082 556729253 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O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000049002467 557090130 /nfs/dbraw/zinc/09/01/30/557090130.db2.gz OIYXWRWDAZARSA-UHFFFAOYSA-N 0 0 448.410 3.114 50 0 IGAARN COC(=O)c1ccoc1COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000023390177 557090308 /nfs/dbraw/zinc/09/03/08/557090308.db2.gz YZJCLSNYJGCHPE-UHFFFAOYSA-N 0 0 433.416 3.262 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1 ZINC000023408382 557090592 /nfs/dbraw/zinc/09/05/92/557090592.db2.gz KZMGZAMDJBWKFO-OAHLLOKOSA-N 0 0 446.507 3.365 50 0 IGAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)n2c3ccccc3nc21 ZINC000023411215 557091292 /nfs/dbraw/zinc/09/12/92/557091292.db2.gz ZSJATTMKLHFVCT-LJQANCHMSA-N 0 0 438.484 3.007 50 0 IGAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccccc3F)c2-c2cccnc2)c1 ZINC000049003727 557091785 /nfs/dbraw/zinc/09/17/85/557091785.db2.gz HIJOTOCOOMMHKI-UHFFFAOYSA-N 0 0 433.443 3.416 50 0 IGAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(Cc2ccsc2)CC1 ZINC000023417448 557091795 /nfs/dbraw/zinc/09/17/95/557091795.db2.gz YCTQYCBPEOUKHU-UHFFFAOYSA-N 0 0 444.560 3.464 50 0 IGAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000049004156 557092305 /nfs/dbraw/zinc/09/23/05/557092305.db2.gz CNZLNYGBAMSHHO-CYBMUJFWSA-N 0 0 428.963 3.444 50 0 IGAARN CCCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000023442230 557092461 /nfs/dbraw/zinc/09/24/61/557092461.db2.gz GYKMMGQKGRWNFC-UHFFFAOYSA-N 0 0 427.520 3.079 50 0 IGAARN Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ncn3n2)c1 ZINC000049004352 557092510 /nfs/dbraw/zinc/09/25/10/557092510.db2.gz YPWRNUBVBQHMHK-UHFFFAOYSA-N 0 0 442.435 3.002 50 0 IGAARN COC(=O)c1ccoc1COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000023448449 557092846 /nfs/dbraw/zinc/09/28/46/557092846.db2.gz IPQYXBZJEGEQKD-UHFFFAOYSA-N 0 0 429.450 3.248 50 0 IGAARN CCOC(=O)c1csc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)n1 ZINC000049342701 557094209 /nfs/dbraw/zinc/09/42/09/557094209.db2.gz RCLKRVOQXCAYDT-UHFFFAOYSA-N 0 0 430.461 3.102 50 0 IGAARN Cn1c(CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc21 ZINC000049372131 557094732 /nfs/dbraw/zinc/09/47/32/557094732.db2.gz RVDGVSHNZZEVRL-UHFFFAOYSA-N 0 0 447.461 3.228 50 0 IGAARN COc1ccccc1CNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000033312835 557097176 /nfs/dbraw/zinc/09/71/76/557097176.db2.gz OWLLQSCNUPQXNX-RUZDIDTESA-N 0 0 435.568 3.169 50 0 IGAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3cccc(Cl)c3)ncn2)CC1 ZINC000049402056 557097700 /nfs/dbraw/zinc/09/77/00/557097700.db2.gz DDMXZMZXUQEPEG-UHFFFAOYSA-N 0 0 433.965 3.213 50 0 IGAARN O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000033312936 557097962 /nfs/dbraw/zinc/09/79/62/557097962.db2.gz OFSXIHHGHFJHNS-ZXYASIKESA-N 0 0 440.547 3.171 50 0 IGAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3F)C3=C2C(=O)OC3)cc1 ZINC000049402922 557098287 /nfs/dbraw/zinc/09/82/87/557098287.db2.gz OCCLIHLDXARBMC-IBGZPJMESA-N 0 0 429.835 3.303 50 0 IGAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000049402954 557098572 /nfs/dbraw/zinc/09/85/72/557098572.db2.gz YGPUMMJUACDKNV-HXUWFJFHSA-N 0 0 425.872 3.473 50 0 IGAARN COc1cc(F)ccc1S(=O)(=O)NCCNc1nc(-c2ccco2)nc2ccccc21 ZINC000085407465 557101200 /nfs/dbraw/zinc/10/12/00/557101200.db2.gz SQNHYBARWOYXNH-UHFFFAOYSA-N 0 0 442.472 3.428 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c1C ZINC000085620796 557102284 /nfs/dbraw/zinc/10/22/84/557102284.db2.gz YVJHPORAZAXCOT-KRWDZBQOSA-N 0 0 429.492 3.116 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)c1C ZINC000085620967 557102621 /nfs/dbraw/zinc/10/26/21/557102621.db2.gz QWLTXXKWDHQPPY-LJQANCHMSA-N 0 0 425.529 3.285 50 0 IGAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)C1(c2cccs2)CCCC1 ZINC000585147620 557105485 /nfs/dbraw/zinc/10/54/85/557105485.db2.gz HJAQPLVMYDAYFG-UHFFFAOYSA-N 0 0 431.583 3.410 50 0 IGAARN O=C(Cc1cccc(C(F)(F)F)c1)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147706 557106423 /nfs/dbraw/zinc/10/64/23/557106423.db2.gz SMWKJNKCRYAVCB-UHFFFAOYSA-N 0 0 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557113542 /nfs/dbraw/zinc/11/35/42/557113542.db2.gz YMCYOSJUIZHNGM-UHFFFAOYSA-N 0 0 427.482 3.245 50 0 IGAARN O=C(Nc1cccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1)c1ccco1 ZINC000011361575 557113577 /nfs/dbraw/zinc/11/35/77/557113577.db2.gz PGYPNIFJQXHLGP-UHFFFAOYSA-N 0 0 425.466 3.324 50 0 IGAARN Cc1c(NC(=O)c2cccc(I)c2)c(=O)n(-c2ccccc2)n1C ZINC000000710852 557116151 /nfs/dbraw/zinc/11/61/51/557116151.db2.gz ADCKMMGGHPRHCQ-UHFFFAOYSA-N 0 0 433.249 3.341 50 0 IGAARN O=C(COc1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1)Nc1ccccc1F ZINC000023800898 557116413 /nfs/dbraw/zinc/11/64/13/557116413.db2.gz FPNQEKDICIGZHJ-UHFFFAOYSA-N 0 0 448.498 3.196 50 0 IGAARN CCCCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023818311 557118350 /nfs/dbraw/zinc/11/83/50/557118350.db2.gz QEESSEDAAYBQKU-DEOSSOPVSA-N 0 0 437.496 3.250 50 0 IGAARN COc1cccc(-c2nc(COC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cs2)c1 ZINC000023844864 557119898 /nfs/dbraw/zinc/11/98/98/557119898.db2.gz IUFLRNRJXMSHIF-UHFFFAOYSA-N 0 0 429.498 3.117 50 0 IGAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000023845555 557119986 /nfs/dbraw/zinc/11/99/86/557119986.db2.gz FPMTXOXMZDIOOD-NRFANRHFSA-N 0 0 447.413 3.480 50 0 IGAARN COc1ccc(OC)c([C@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004786829 557120004 /nfs/dbraw/zinc/12/00/04/557120004.db2.gz NQRCYPGQKKUKJD-QFIPXVFZSA-N 0 0 434.496 3.201 50 0 IGAARN COc1cccc(CSc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cc(=O)[nH]2)c1 ZINC000023242552 557121478 /nfs/dbraw/zinc/12/14/78/557121478.db2.gz DMRUXPDOKVLHFC-UHFFFAOYSA-N 0 0 439.493 3.023 50 0 IGAARN O=C(c1ccccc1)N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000023873055 557121504 /nfs/dbraw/zinc/12/15/04/557121504.db2.gz GRFXYIMTQAIGCZ-UHFFFAOYSA-N 0 0 427.302 3.457 50 0 IGAARN Cc1ccccc1-n1ccnc1SCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023873054 557121654 /nfs/dbraw/zinc/12/16/54/557121654.db2.gz NERUCGDFUZSFGO-NRFANRHFSA-N 0 0 436.581 3.290 50 0 IGAARN CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2c1CCCC2 ZINC000000628800 557122338 /nfs/dbraw/zinc/12/23/38/557122338.db2.gz KVFKDDJYSMBLIG-UHFFFAOYSA-N 0 0 436.555 3.208 50 0 IGAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCCC(=O)N4CCCC4)cc3)ccc12 ZINC000017799067 557122871 /nfs/dbraw/zinc/12/28/71/557122871.db2.gz JPHVBBSKHOZPBX-UHFFFAOYSA-N 0 0 434.492 3.423 50 0 IGAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N1CC2 ZINC000004790553 557124197 /nfs/dbraw/zinc/12/41/97/557124197.db2.gz FNJNBPYTWRRQAU-BJKOFHAPSA-N 0 0 443.503 3.252 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC4=CCCCC4)ccc3c2=O)cc1 ZINC000004791434 557125170 /nfs/dbraw/zinc/12/51/70/557125170.db2.gz QCIDQBRKEACDSB-UHFFFAOYSA-N 0 0 433.508 3.367 50 0 IGAARN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1ccccc1CN1CCOCC1 ZINC000023956175 557127461 /nfs/dbraw/zinc/12/74/61/557127461.db2.gz HBDKHYCZNHHDTB-UHFFFAOYSA-N 0 0 447.564 3.308 50 0 IGAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000023967811 557128401 /nfs/dbraw/zinc/12/84/01/557128401.db2.gz CHBFECYOVLAYDI-XMMPIXPASA-N 0 0 441.535 3.283 50 0 IGAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)NC3CCCC3)c(=O)c2c1C ZINC000009004930 557130088 /nfs/dbraw/zinc/13/00/88/557130088.db2.gz NBOUWTDYCQBSCW-UHFFFAOYSA-N 0 0 440.525 3.086 50 0 IGAARN CSc1ncc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1-c1ccccc1 ZINC000024045341 557133548 /nfs/dbraw/zinc/13/35/48/557133548.db2.gz IRZLLIZSCROFPL-UHFFFAOYSA-N 0 0 436.537 3.281 50 0 IGAARN COc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000024050894 557134439 /nfs/dbraw/zinc/13/44/39/557134439.db2.gz AOQPASFBTNPRET-UHFFFAOYSA-N 0 0 440.525 3.308 50 0 IGAARN O=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000010931646 557136437 /nfs/dbraw/zinc/13/64/37/557136437.db2.gz IDYODGRHOUAVGP-UHFFFAOYSA-N 0 0 448.504 3.034 50 0 IGAARN C[C@@H]1C(=O)N(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000024118650 557137977 /nfs/dbraw/zinc/13/79/77/557137977.db2.gz NXPZNQFTMNQDGD-CRAIPNDOSA-N 0 0 432.436 3.408 50 0 IGAARN CC1=C(C(=O)OCc2ccccc2)[C@]2(c3ccccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 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436.599 3.394 50 0 IGAARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000024527319 557150109 /nfs/dbraw/zinc/15/01/09/557150109.db2.gz GCEKMTFAEBDFGA-UHFFFAOYSA-N 0 0 433.556 3.367 50 0 IGAARN Cc1cccc(OCCNC(=O)CCCNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000024580826 557151918 /nfs/dbraw/zinc/15/19/18/557151918.db2.gz AASZFOBYCNGUAG-UHFFFAOYSA-N 0 0 426.538 3.402 50 0 IGAARN COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c1 ZINC000024589958 557152213 /nfs/dbraw/zinc/15/22/13/557152213.db2.gz HJCYKLKKCGXIJO-SFHVURJKSA-N 0 0 431.492 3.298 50 0 IGAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1cccnc1-n1cccn1 ZINC000024590458 557152301 /nfs/dbraw/zinc/15/23/01/557152301.db2.gz GSAULOCWHSYKFK-UHFFFAOYSA-N 0 0 425.496 3.329 50 0 IGAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000011490905 557153101 /nfs/dbraw/zinc/15/31/01/557153101.db2.gz WZCSRYLZGOZIBQ-UHFFFAOYSA-N 0 0 434.473 3.478 50 0 IGAARN COC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000095400484 557157266 /nfs/dbraw/zinc/15/72/66/557157266.db2.gz QZSWELUZWBOHHN-SFHVURJKSA-N 0 0 426.494 3.094 50 0 IGAARN O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000024686848 557158702 /nfs/dbraw/zinc/15/87/02/557158702.db2.gz VCKFVTMIWGXRHY-LBPRGKRZSA-N 0 0 428.411 3.456 50 0 IGAARN CC(C)NC(=O)NCc1ccc(C(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000024682863 557158843 /nfs/dbraw/zinc/15/88/43/557158843.db2.gz GHWAUSWIKBOHHT-UHFFFAOYSA-N 0 0 447.333 3.025 50 0 IGAARN O=S(=O)(CCSc1nnnn1-c1cccc(F)c1)c1ccc(Br)cc1 ZINC000011538245 557160983 /nfs/dbraw/zinc/16/09/83/557160983.db2.gz OYZDBYPYXYQLMA-UHFFFAOYSA-N 0 0 443.323 3.130 50 0 IGAARN CN(CCCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 ZINC000024746549 557161451 /nfs/dbraw/zinc/16/14/51/557161451.db2.gz XZCMEACRKDYONC-UHFFFAOYSA-N 0 0 426.498 3.200 50 0 IGAARN Cc1cc(NC(=O)COc2ccccc2Cc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000024753863 557162960 /nfs/dbraw/zinc/16/29/60/557162960.db2.gz WUNZWGSGHCKPAK-HXUWFJFHSA-N 0 0 439.537 3.159 50 0 IGAARN COc1ccc(COC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000024757010 557163618 /nfs/dbraw/zinc/16/36/18/557163618.db2.gz POWMJOVPDHOLLK-PBHICJAKSA-N 0 0 428.554 3.478 50 0 IGAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCC(C)(C)N4CCOCC4)c32)C1 ZINC000024759909 557163843 /nfs/dbraw/zinc/16/38/43/557163843.db2.gz RWENXTDIAGNQDQ-AWEZNQCLSA-N 0 0 434.631 3.135 50 0 IGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000024768745 557165553 /nfs/dbraw/zinc/16/55/53/557165553.db2.gz XWCHRXWBLQTYHK-QFIPXVFZSA-N 0 0 438.553 3.204 50 0 IGAARN Cc1cc(N2CCN(C(=O)COc3cccc(Br)c3)CC2)nc(C(C)C)n1 ZINC000024773918 557166302 /nfs/dbraw/zinc/16/63/02/557166302.db2.gz PTNYDOSXGWZJQR-UHFFFAOYSA-N 0 0 433.350 3.399 50 0 IGAARN FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(N2CCOCC2)n1)C(F)(F)F ZINC000000754081 557168665 /nfs/dbraw/zinc/16/86/65/557168665.db2.gz DLJZGEARLIQLAE-UHFFFAOYSA-N 0 0 429.365 3.325 50 0 IGAARN O=C(c1cccc(Nc2ncccn2)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000024857924 557168925 /nfs/dbraw/zinc/16/89/25/557168925.db2.gz RNPRKZUOENCBSI-UHFFFAOYSA-N 0 0 447.524 3.290 50 0 IGAARN NC(=O)c1cc(NCC(=O)Nc2ccccc2I)ccc1Cl ZINC000024829822 557170151 /nfs/dbraw/zinc/17/01/51/557170151.db2.gz NUKPUSXDWVEBMF-UHFFFAOYSA-N 0 0 429.645 3.094 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000024831588 557170637 /nfs/dbraw/zinc/17/06/37/557170637.db2.gz VWWGTMWHWMNMSB-MRXNPFEDSA-N 0 0 426.991 3.470 50 0 IGAARN CCOc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(F)F ZINC000024835731 557171984 /nfs/dbraw/zinc/17/19/84/557171984.db2.gz CAEIDQQMHNRHIS-UHFFFAOYSA-N 0 0 429.441 3.294 50 0 IGAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000024842429 557173501 /nfs/dbraw/zinc/17/35/01/557173501.db2.gz SXCLHWUWZBSNOV-UHFFFAOYSA-N 0 0 428.420 3.463 50 0 IGAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000024893254 557177302 /nfs/dbraw/zinc/17/73/02/557177302.db2.gz XUGHVNAFXZPZRO-UHFFFAOYSA-N 0 0 437.525 3.442 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3nc4ccccc4s3)C2)s1 ZINC000024928471 557180425 /nfs/dbraw/zinc/18/04/25/557180425.db2.gz NRSHIEDSDBVBHV-CQSZACIVSA-N 0 0 435.596 3.383 50 0 IGAARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000011560540 557182524 /nfs/dbraw/zinc/18/25/24/557182524.db2.gz MPXFJIUPBQSPQT-SFHVURJKSA-N 0 0 432.473 3.431 50 0 IGAARN CC(C)OCCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000024968707 557183415 /nfs/dbraw/zinc/18/34/15/557183415.db2.gz LFIUQAOSKLINAW-UHFFFAOYSA-N 0 0 427.954 3.366 50 0 IGAARN O=c1c2cnn(-c3ccccc3)c2ncn1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000024983871 557185828 /nfs/dbraw/zinc/18/58/28/557185828.db2.gz JYRJXNYFRRTKBA-HNNXBMFYSA-N 0 0 431.279 3.329 50 0 IGAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000024985471 557186225 /nfs/dbraw/zinc/18/62/25/557186225.db2.gz NGJQLBPJNVZORP-BZNIZROVSA-N 0 0 447.340 3.084 50 0 IGAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000024985475 557186232 /nfs/dbraw/zinc/18/62/32/557186232.db2.gz NGJQLBPJNVZORP-ZBEGNZNMSA-N 0 0 447.340 3.084 50 0 IGAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000024991640 557187682 /nfs/dbraw/zinc/18/76/82/557187682.db2.gz WYKHWUGEWHNMSA-HKUYNNGSSA-N 0 0 437.525 3.111 50 0 IGAARN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C)c21 ZINC000100843367 557191450 /nfs/dbraw/zinc/19/14/50/557191450.db2.gz HTRYCFPKGWSEFT-QURGRASLSA-N 0 0 445.566 3.164 50 0 IGAARN COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000025060652 557193283 /nfs/dbraw/zinc/19/32/83/557193283.db2.gz FRCDPMOFKMDULU-AWEZNQCLSA-N 0 0 426.502 3.117 50 0 IGAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100872871 557195728 /nfs/dbraw/zinc/19/57/28/557195728.db2.gz VCYKCTRVRTZVMZ-VZCXRCSSSA-N 0 0 447.563 3.104 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3[nH]c(C)cc3c2)o1 ZINC000025129247 557196064 /nfs/dbraw/zinc/19/60/64/557196064.db2.gz GZEPIFLXRPSCCK-QGZVFWFLSA-N 0 0 445.497 3.038 50 0 IGAARN CCOCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cnc2ccccc2n1 ZINC000100873774 557196465 /nfs/dbraw/zinc/19/64/65/557196465.db2.gz XUQBRRLMPYPJJG-LVWGJNHUSA-N 0 0 436.493 3.210 50 0 IGAARN Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000025157640 557197708 /nfs/dbraw/zinc/19/77/08/557197708.db2.gz JGAYCKRVZICBKZ-UHFFFAOYSA-N 0 0 425.514 3.207 50 0 IGAARN CC(C)(C)c1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000025161761 557197827 /nfs/dbraw/zinc/19/78/27/557197827.db2.gz QCGXDGPVIQCPEW-HOCLYGCPSA-N 0 0 437.949 3.136 50 0 IGAARN O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccs1 ZINC000025175380 557198574 /nfs/dbraw/zinc/19/85/74/557198574.db2.gz DRZKWLKNEVORLM-UHFFFAOYSA-N 0 0 446.594 3.123 50 0 IGAARN O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000025183755 557199020 /nfs/dbraw/zinc/19/90/20/557199020.db2.gz QZSVJSGOWTWMSF-VIFPVBQESA-N 0 0 436.378 3.007 50 0 IGAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Br)s1 ZINC000025186493 557199498 /nfs/dbraw/zinc/19/94/98/557199498.db2.gz OOSCLQHIDOUXJS-UHFFFAOYSA-N 0 0 425.304 3.386 50 0 IGAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2CCOC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000025309586 557203533 /nfs/dbraw/zinc/20/35/33/557203533.db2.gz IDURLVRUJNDXDP-KSFYIVLOSA-N 0 0 441.528 3.154 50 0 IGAARN COc1cc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1Cl ZINC000011600807 557207226 /nfs/dbraw/zinc/20/72/26/557207226.db2.gz WKKAMJGWWPJAJH-LBPRGKRZSA-N 0 0 432.860 3.120 50 0 IGAARN COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O ZINC000025461115 557211086 /nfs/dbraw/zinc/21/10/86/557211086.db2.gz PDLMTOPVIYCTHZ-GOSISDBHSA-N 0 0 434.323 3.456 50 0 IGAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000025560389 557214848 /nfs/dbraw/zinc/21/48/48/557214848.db2.gz JRVNZTIFGQZUAW-UHFFFAOYSA-N 0 0 443.550 3.303 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)C[S@@](=O)Cc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000215681025 557215764 /nfs/dbraw/zinc/21/57/64/557215764.db2.gz SEHSLQTUILNYIG-LJAQVGFWSA-N 0 0 428.432 3.474 50 0 IGAARN O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000024908394 557217353 /nfs/dbraw/zinc/21/73/53/557217353.db2.gz OKMOMHICFXOVAW-CYBMUJFWSA-N 0 0 426.274 3.021 50 0 IGAARN CCOc1cc2c(cc1NC(=O)[C@@H]1CS[C@@H](Cc3ccc(F)cc3)C(=O)N1)O[C@H](C)C2 ZINC000025609414 557219013 /nfs/dbraw/zinc/21/90/13/557219013.db2.gz JNXKSOGKKMWFJH-MPKWNAGQSA-N 0 0 444.528 3.329 50 0 IGAARN Cc1cc(C)c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000011646962 557219444 /nfs/dbraw/zinc/21/94/44/557219444.db2.gz YYCMKGMVXWMNLQ-UHFFFAOYSA-N 0 0 434.583 3.364 50 0 IGAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000025685585 557221994 /nfs/dbraw/zinc/22/19/94/557221994.db2.gz KKAKIDIHKUVSPV-GOSISDBHSA-N 0 0 448.894 3.399 50 0 IGAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc3c(s2)CCC3)Cc2ccco2)cc1 ZINC000025769056 557225198 /nfs/dbraw/zinc/22/51/98/557225198.db2.gz BBGFBHKUJXPEEN-UHFFFAOYSA-N 0 0 431.539 3.363 50 0 IGAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025840868 557228063 /nfs/dbraw/zinc/22/80/63/557228063.db2.gz MUMYQAKQFZLZIN-QHCPKHFHSA-N 0 0 429.524 3.498 50 0 IGAARN CNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1Cl ZINC000025846830 557228419 /nfs/dbraw/zinc/22/84/19/557228419.db2.gz JBNSXRPEULWTGD-UHFFFAOYSA-N 0 0 432.933 3.144 50 0 IGAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c(C)n1CC(F)(F)F ZINC000011368806 557228494 /nfs/dbraw/zinc/22/84/94/557228494.db2.gz CSPXWJOTMFZWJF-UHFFFAOYSA-N 0 0 443.495 3.405 50 0 IGAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)Nc1nccs1 ZINC000011613410 557230898 /nfs/dbraw/zinc/23/08/98/557230898.db2.gz OEASAQJKNRDXDE-LBPRGKRZSA-N 0 0 444.929 3.368 50 0 IGAARN NC(=O)CCc1nnc(SCc2coc(-c3cccc(F)c3)n2)n1Cc1ccco1 ZINC000026122374 557235236 /nfs/dbraw/zinc/23/52/36/557235236.db2.gz PJHSALYADLNQGJ-UHFFFAOYSA-N 0 0 427.461 3.424 50 0 IGAARN CCOc1ccc(NC(=O)NCc2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)cc1 ZINC000583649368 557240332 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Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000032803146 557316097 /nfs/dbraw/zinc/31/60/97/557316097.db2.gz MENMHRIWPGRJHC-UHFFFAOYSA-N 0 0 429.586 3.246 50 0 IGAARN O=C(NCc1ccco1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000032913297 557317745 /nfs/dbraw/zinc/31/77/45/557317745.db2.gz WZNYIVUXHKQQGN-FQEVSTJZSA-N 0 0 439.512 3.336 50 0 IGAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(F)cc1Br ZINC000032915447 557318191 /nfs/dbraw/zinc/31/81/91/557318191.db2.gz XPXMELWUHZSIGQ-UHFFFAOYSA-N 0 0 426.673 3.430 50 0 IGAARN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000032927334 557318553 /nfs/dbraw/zinc/31/85/53/557318553.db2.gz PYXIOXFBQGRSBX-MSOLQXFVSA-N 0 0 437.519 3.259 50 0 IGAARN Cc1nn(CCCC(=O)N2CCCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033058047 557323074 /nfs/dbraw/zinc/32/30/74/557323074.db2.gz FCRTVUNDMIOUIC-UHFFFAOYSA-N 0 0 430.512 3.084 50 0 IGAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc[nH]3)sc2=N1 ZINC000102443109 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CC(C)(C)OC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000023704833 557371833 /nfs/dbraw/zinc/37/18/33/557371833.db2.gz FSHXGBNIRSIXCY-UHFFFAOYSA-N 0 0 442.887 3.007 50 0 IGAARN Cc1c(C(=O)OCc2noc(-c3ccco3)n2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000023944325 557388064 /nfs/dbraw/zinc/38/80/64/557388064.db2.gz IZMDYOYFOGEUNG-UHFFFAOYSA-N 0 0 426.454 3.493 50 0 IGAARN COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O ZINC000011694133 557392202 /nfs/dbraw/zinc/39/22/02/557392202.db2.gz PLQYTILELZVGQT-UHFFFAOYSA-N 0 0 441.915 3.118 50 0 IGAARN C[C@@H](Oc1cccc(F)c1)C(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000011694587 557392689 /nfs/dbraw/zinc/39/26/89/557392689.db2.gz RJVXTVHGPFGMTF-CQSZACIVSA-N 0 0 439.422 3.032 50 0 IGAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1 ZINC000011694659 557392992 /nfs/dbraw/zinc/39/29/92/557392992.db2.gz VJLFUQHBHDUDJS-UHFFFAOYSA-N 0 0 434.543 3.395 50 0 IGAARN Cc1cc(NC(=O)C=Cc2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000011695376 557393169 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CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036209414 568973650 /nfs/dbraw/zinc/97/36/50/568973650.db2.gz FGYDOHXGYZUKDJ-UZLBHIALSA-N 0 0 427.570 3.314 50 0 IGAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000036209435 568973729 /nfs/dbraw/zinc/97/37/29/568973729.db2.gz QHGDLAIFEQODJE-FOIQADDNSA-N 0 0 445.560 3.453 50 0 IGAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036209445 568973746 /nfs/dbraw/zinc/97/37/46/568973746.db2.gz FUGJOHFYXYKZTK-QRWLVFNGSA-N 0 0 445.560 3.453 50 0 IGAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209655 568974062 /nfs/dbraw/zinc/97/40/62/568974062.db2.gz UDSNAQFDYGZVBK-OXQOHEQNSA-N 0 0 433.618 3.436 50 0 IGAARN O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000036209724 568974268 /nfs/dbraw/zinc/97/42/68/568974268.db2.gz JHOMOMJRSMDYRJ-HXUWFJFHSA-N 0 0 443.544 3.160 50 0 IGAARN C[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036213573 568977436 /nfs/dbraw/zinc/97/74/36/568977436.db2.gz FJXIPSMCRRQGJY-NQIIRXRSSA-N 0 0 442.604 3.406 50 0 IGAARN CCn1c2ccccc2nc(N2CCC(C(=O)NCCc3ccccc3OC)CC2)c1=O ZINC000064873743 568978671 /nfs/dbraw/zinc/97/86/71/568978671.db2.gz AXTGCOMMQLELRF-UHFFFAOYSA-N 0 0 434.540 3.000 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccc(Cl)cc1 ZINC000064889364 568979922 /nfs/dbraw/zinc/97/99/22/568979922.db2.gz IMRMRQBVJQMTKV-UHFFFAOYSA-N 0 0 435.937 3.144 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cccc(OC)c1 ZINC000064889022 568980142 /nfs/dbraw/zinc/98/01/42/568980142.db2.gz VHXZINOOJYGXCG-UHFFFAOYSA-N 0 0 430.530 3.104 50 0 IGAARN Cc1ccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)cc1Cl ZINC000064891665 568982749 /nfs/dbraw/zinc/98/27/49/568982749.db2.gz PFNFXPJLMBPSHV-UHFFFAOYSA-N 0 0 436.899 3.437 50 0 IGAARN Cc1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)cc1C ZINC000064892160 568982903 /nfs/dbraw/zinc/98/29/03/568982903.db2.gz MIKBCCDKHMUSQE-SFHVURJKSA-N 0 0 430.508 3.480 50 0 IGAARN COc1ccc(OC)c(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1 ZINC000064892404 568983399 /nfs/dbraw/zinc/98/33/99/568983399.db2.gz IWSLKGYJOGYRIT-UHFFFAOYSA-N 0 0 438.571 3.116 50 0 IGAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000064925057 568986398 /nfs/dbraw/zinc/98/63/98/568986398.db2.gz OZUOFZBSZPICAQ-UHFFFAOYSA-N 0 0 438.507 3.135 50 0 IGAARN CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c1 ZINC000064927624 568986561 /nfs/dbraw/zinc/98/65/61/568986561.db2.gz DEQGHCRPTAOZAL-UHFFFAOYSA-N 0 0 434.471 3.429 50 0 IGAARN CSc1ccc(CCNC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1 ZINC000064925294 568986657 /nfs/dbraw/zinc/98/66/57/568986657.db2.gz LHLGURTUIKPNQA-UHFFFAOYSA-N 0 0 438.601 3.359 50 0 IGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1cccc2ccccc21 ZINC000006789923 568987948 /nfs/dbraw/zinc/98/79/48/568987948.db2.gz NKYWYLDBKVLGAL-HXUWFJFHSA-N 0 0 425.554 3.214 50 0 IGAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(OC)cc4)ncn3)CC2)cc1 ZINC000064929247 568988113 /nfs/dbraw/zinc/98/81/13/568988113.db2.gz WJUCOJMMVXGFQA-UHFFFAOYSA-N 0 0 438.553 3.226 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064929204 568988193 /nfs/dbraw/zinc/98/81/93/568988193.db2.gz DDNXLXSEDSOMLA-UHFFFAOYSA-N 0 0 442.516 3.192 50 0 IGAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)s1 ZINC000064940939 568989433 /nfs/dbraw/zinc/98/94/33/568989433.db2.gz GXSFKNHOUUEMPB-INIZCTEOSA-N 0 0 432.502 3.455 50 0 IGAARN O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCOCC1 ZINC000169677339 568989764 /nfs/dbraw/zinc/98/97/64/568989764.db2.gz UCSQPYJTSYWCGN-IRLDBZIGSA-N 0 0 445.485 3.432 50 0 IGAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000064942258 568991299 /nfs/dbraw/zinc/99/12/99/568991299.db2.gz NIXYGLOMHLXZME-UHFFFAOYSA-N 0 0 428.901 3.475 50 0 IGAARN O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1 ZINC000064942819 568992184 /nfs/dbraw/zinc/99/21/84/568992184.db2.gz QLQRQEBTLIVSCJ-UHFFFAOYSA-N 0 0 432.908 3.429 50 0 IGAARN Cc1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O ZINC000064943831 568993123 /nfs/dbraw/zinc/99/31/23/568993123.db2.gz TZUCODRHMXIOSZ-UHFFFAOYSA-N 0 0 425.510 3.147 50 0 IGAARN CC(C)Cn1c2nn(Cc3cccc(Br)c3)c(=O)n2c2ccsc2c1=O ZINC000064946159 568994054 /nfs/dbraw/zinc/99/40/54/568994054.db2.gz LZZXLMMVBBDTMA-UHFFFAOYSA-N 0 0 433.331 3.339 50 0 IGAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000064948492 568994492 /nfs/dbraw/zinc/99/44/92/568994492.db2.gz BRGZWHQAGFZGNY-UHFFFAOYSA-N 0 0 425.466 3.479 50 0 IGAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3n3c(C)nnc23)CC1 ZINC000064949059 568994631 /nfs/dbraw/zinc/99/46/31/568994631.db2.gz ZGKRMPUSYJQVFK-UHFFFAOYSA-N 0 0 448.552 3.035 50 0 IGAARN O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310525 568996675 /nfs/dbraw/zinc/99/66/75/568996675.db2.gz RGZRYASPGHBUIT-RTWAWAEBSA-N 0 0 448.995 3.344 50 0 IGAARN O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCc1cccc(Cl)c1 ZINC000064955408 568998194 /nfs/dbraw/zinc/99/81/94/568998194.db2.gz TXRXATJICRMGNQ-UHFFFAOYSA-N 0 0 443.960 3.090 50 0 IGAARN CCNC(=S)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036313361 568998595 /nfs/dbraw/zinc/99/85/95/568998595.db2.gz SMVUMPPZJQGXCO-MRXNPFEDSA-N 0 0 448.564 3.193 50 0 IGAARN Cc1nnn(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(c6ccc(C)cc6)C[C@@H]5C)(C4)C2)C3)n1 ZINC000169682091 568998963 /nfs/dbraw/zinc/99/89/63/568998963.db2.gz PIAIUNATVHCWAS-LGVCHGAKSA-N 0 0 434.588 3.323 50 0 IGAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 ZINC000064958272 568999650 /nfs/dbraw/zinc/99/96/50/568999650.db2.gz NDMYVOIBQMIKAL-CYBMUJFWSA-N 0 0 428.917 3.296 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CCS2 ZINC000064965460 569000837 /nfs/dbraw/zinc/00/08/37/569000837.db2.gz YTUSPNDCZVYWOH-UHFFFAOYSA-N 0 0 447.582 3.185 50 0 IGAARN Cc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)NC2=O)cc1C ZINC000064965765 569001065 /nfs/dbraw/zinc/00/10/65/569001065.db2.gz BCBSKNYZFBFTKK-UHFFFAOYSA-N 0 0 449.935 3.196 50 0 IGAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cc1OC ZINC000064977075 569077382 /nfs/dbraw/zinc/07/73/82/569077382.db2.gz HNEZBRLLBDHVSC-UHFFFAOYSA-N 0 0 432.542 3.118 50 0 IGAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)cc3OC)CC2)c1 ZINC000064979431 569077831 /nfs/dbraw/zinc/07/78/31/569077831.db2.gz QMIKEIAAHGRRIC-UHFFFAOYSA-N 0 0 443.525 3.178 50 0 IGAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000064977932 569077834 /nfs/dbraw/zinc/07/78/34/569077834.db2.gz LMXYODGPFPQZFD-UHFFFAOYSA-N 0 0 427.505 3.179 50 0 IGAARN CCCCOC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340195 569078737 /nfs/dbraw/zinc/07/87/37/569078737.db2.gz JAJYXMARDWWJPF-QFIPXVFZSA-N 0 0 430.568 3.123 50 0 IGAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2cccn2C)C1 ZINC000036341895 569079627 /nfs/dbraw/zinc/07/96/27/569079627.db2.gz NSDOLSVYLRMNIH-AVRDEDQJSA-N 0 0 440.519 3.117 50 0 IGAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3F)Oc3ccccc32)cc1 ZINC000064986284 569082363 /nfs/dbraw/zinc/08/23/63/569082363.db2.gz LSSIDOKOHGGMIA-OAQYLSRUSA-N 0 0 442.468 3.429 50 0 IGAARN COc1ccccc1-c1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)o1 ZINC000064987954 569082807 /nfs/dbraw/zinc/08/28/07/569082807.db2.gz UCJNFPOIACMJKB-UHFFFAOYSA-N 0 0 435.889 3.087 50 0 IGAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3cc(C)ccc3OC)s2)cc1 ZINC000064991372 569083546 /nfs/dbraw/zinc/08/35/46/569083546.db2.gz WWEPAXYDPLXGHK-UHFFFAOYSA-N 0 0 427.486 3.438 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000064991422 569083561 /nfs/dbraw/zinc/08/35/61/569083561.db2.gz XODBVXGSSGQHAO-UHFFFAOYSA-N 0 0 425.470 3.289 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988798 569083658 /nfs/dbraw/zinc/08/36/58/569083658.db2.gz SFASARAVYFXRCS-UHFFFAOYSA-N 0 0 440.475 3.489 50 0 IGAARN CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)o2)cc1 ZINC000036354595 569084154 /nfs/dbraw/zinc/08/41/54/569084154.db2.gz OHCAGSAJCVIVPV-MRXNPFEDSA-N 0 0 429.436 3.201 50 0 IGAARN O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000064991828 569084302 /nfs/dbraw/zinc/08/43/02/569084302.db2.gz CXFVSWUBVYPDKM-UHFFFAOYSA-N 0 0 444.872 3.201 50 0 IGAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CCc4ccncc4)CC3)c2c1 ZINC000036358844 569085418 /nfs/dbraw/zinc/08/54/18/569085418.db2.gz NXMBMAHOQVRNIS-HSZRJFAPSA-N 0 0 449.555 3.143 50 0 IGAARN O=C([O-])[C@@H](c1c[nH]c2cc(CO)ccc21)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000036365588 569086835 /nfs/dbraw/zinc/08/68/35/569086835.db2.gz HPPXBEFEZHJJLC-HXUWFJFHSA-N 0 0 448.445 3.412 50 0 IGAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)n2C)n1 ZINC000065009050 569087900 /nfs/dbraw/zinc/08/79/00/569087900.db2.gz DSPCILSCXUXISP-UHFFFAOYSA-N 0 0 434.562 3.415 50 0 IGAARN Cc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009400 569088010 /nfs/dbraw/zinc/08/80/10/569088010.db2.gz NLROEXMGEBFWEP-UHFFFAOYSA-N 0 0 428.489 3.356 50 0 IGAARN COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)ccc1OCc1ccccc1 ZINC000036370342 569088544 /nfs/dbraw/zinc/08/85/44/569088544.db2.gz LVGMWIKGKRCHPM-CMKODMSKSA-N 0 0 438.402 3.084 50 0 IGAARN CC(=O)[C@@H]1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000036370346 569088591 /nfs/dbraw/zinc/08/85/91/569088591.db2.gz FFOUXBGFXPURFH-SLYNCCJLSA-N 0 0 444.413 3.349 50 0 IGAARN Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(Cl)c4)c(C)cc32)no1 ZINC000065022564 569088881 /nfs/dbraw/zinc/08/88/81/569088881.db2.gz BQJNQBFQOKWMFL-UHFFFAOYSA-N 0 0 448.888 3.066 50 0 IGAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n(C(C)C)c1=O ZINC000065024438 569089588 /nfs/dbraw/zinc/08/95/88/569089588.db2.gz XDSKFIXWYXHNSD-UHFFFAOYSA-N 0 0 432.952 3.178 50 0 IGAARN Cc1ccc(C(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1C ZINC000065024442 569089631 /nfs/dbraw/zinc/08/96/31/569089631.db2.gz PRHUDAYQCCLDAK-UHFFFAOYSA-N 0 0 426.561 3.141 50 0 IGAARN O=C(c1cnn2c1nccc2-c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000065026745 569090030 /nfs/dbraw/zinc/09/00/30/569090030.db2.gz WQXXNTUWMGTPSZ-UHFFFAOYSA-N 0 0 445.454 3.227 50 0 IGAARN COc1cc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc(OC)c1OC ZINC000169759527 569094079 /nfs/dbraw/zinc/09/40/79/569094079.db2.gz RRQMUGYROMJDMI-KRWDZBQOSA-N 0 0 440.475 3.250 50 0 IGAARN CCc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)c1 ZINC000169757858 569094145 /nfs/dbraw/zinc/09/41/45/569094145.db2.gz VDNDWEMPBABCMQ-FQEVSTJZSA-N 0 0 425.872 3.418 50 0 IGAARN Cc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)c1C ZINC000169758060 569094238 /nfs/dbraw/zinc/09/42/38/569094238.db2.gz MFTLCDRRFDUZTH-FQEVSTJZSA-N 0 0 425.872 3.473 50 0 IGAARN CCc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758011 569094251 /nfs/dbraw/zinc/09/42/51/569094251.db2.gz SDMWNYWUQYBKSM-HXUWFJFHSA-N 0 0 425.872 3.418 50 0 IGAARN O=C(CCc1nc2onc(-c3ccc(F)cc3)c2c(N2CCCCC2)n1)N1CCOCC1 ZINC000065056115 569094825 /nfs/dbraw/zinc/09/48/25/569094825.db2.gz NLEJOSDKIGZPHS-UHFFFAOYSA-N 0 0 439.491 3.206 50 0 IGAARN COc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000065058143 569095487 /nfs/dbraw/zinc/09/54/87/569095487.db2.gz SDSPGOKPDAYYIY-VWLOTQADSA-N 0 0 440.540 3.200 50 0 IGAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)c1 ZINC000065059446 569096074 /nfs/dbraw/zinc/09/60/74/569096074.db2.gz DXXCLGACFVBCHZ-OAQYLSRUSA-N 0 0 438.496 3.081 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)cc1 ZINC000065059365 569096084 /nfs/dbraw/zinc/09/60/84/569096084.db2.gz UAGBVEPIWIVHKI-HSZRJFAPSA-N 0 0 428.554 3.305 50 0 IGAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(C)cc(C)c3)C2)cc1 ZINC000065059290 569096101 /nfs/dbraw/zinc/09/61/01/569096101.db2.gz IRMGFAVPOBRJJE-HSZRJFAPSA-N 0 0 430.570 3.419 50 0 IGAARN COCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059797 569096233 /nfs/dbraw/zinc/09/62/33/569096233.db2.gz BTKOQTJMTWGJQI-UHFFFAOYSA-N 0 0 441.509 3.359 50 0 IGAARN COCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063377 569097938 /nfs/dbraw/zinc/09/79/38/569097938.db2.gz HYCNPKMVMXKAIC-UHFFFAOYSA-N 0 0 441.509 3.441 50 0 IGAARN C[C@@H](NC(=O)COc1ccc(Br)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000036394768 569098709 /nfs/dbraw/zinc/09/87/09/569098709.db2.gz KJXWMRSLTOSQCL-GFCCVEGCSA-N 0 0 427.320 3.077 50 0 IGAARN Cc1nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1-c1ccc(Cl)cc1 ZINC000036395664 569098864 /nfs/dbraw/zinc/09/88/64/569098864.db2.gz KUXSAIMBCIRGKW-UHFFFAOYSA-N 0 0 436.903 3.349 50 0 IGAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1cc(F)ccc1F ZINC000065075708 569099769 /nfs/dbraw/zinc/09/97/69/569099769.db2.gz DMHRXKGUXLKXMR-UHFFFAOYSA-N 0 0 428.443 3.204 50 0 IGAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000065076662 569099838 /nfs/dbraw/zinc/09/98/38/569099838.db2.gz QJWGYNXDDOKNOI-UHFFFAOYSA-N 0 0 442.397 3.104 50 0 IGAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000036397335 569100000 /nfs/dbraw/zinc/10/00/00/569100000.db2.gz VKKJOJMCRGKONY-VGSWGCGISA-N 0 0 425.558 3.372 50 0 IGAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077242 569100153 /nfs/dbraw/zinc/10/01/53/569100153.db2.gz UVPCIZVPRNOZIL-ZDUSSCGKSA-N 0 0 434.539 3.321 50 0 IGAARN COc1cccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077562 569100265 /nfs/dbraw/zinc/10/02/65/569100265.db2.gz AQEHWQDNTQHZHB-ZDUSSCGKSA-N 0 0 434.539 3.178 50 0 IGAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000169772793 569101734 /nfs/dbraw/zinc/10/17/34/569101734.db2.gz UTRDNOPSLXRYRQ-MRXNPFEDSA-N 0 0 428.496 3.198 50 0 IGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)cc1C ZINC000169775967 569101987 /nfs/dbraw/zinc/10/19/87/569101987.db2.gz 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NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 ZINC000002265117 555763781 /nfs/dbraw/zinc/76/37/81/555763781.db2.gz RCIQOBDKWSPADU-UHFFFAOYSA-N 0 0 439.522 3.478 50 0 IGAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000002296127 555766240 /nfs/dbraw/zinc/76/62/40/555766240.db2.gz LKJWJCLETCZTTG-UHFFFAOYSA-N 0 0 437.496 3.277 50 0 IGAARN COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(OC)cc23)cc(C(=O)OC)c1 ZINC000002357366 555771752 /nfs/dbraw/zinc/77/17/52/555771752.db2.gz OBGDXPHQFJGERC-UHFFFAOYSA-N 0 0 441.509 3.279 50 0 IGAARN CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000002504043 555784909 /nfs/dbraw/zinc/78/49/09/555784909.db2.gz KFBUHBWIMHHZSG-HIFRSBDPSA-N 0 0 430.526 3.036 50 0 IGAARN O=C(NCc1ccccc1)c1coc(CN2CCN(Cc3ccc(F)cc3F)CC2)n1 ZINC000034677998 555796481 /nfs/dbraw/zinc/79/64/81/555796481.db2.gz SIMRQAJHKSLJCT-UHFFFAOYSA-N 0 0 426.467 3.201 50 0 IGAARN Cc1cccc(C)c1-n1c2ncn(Cc3cccc(F)c3)c2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000034693253 555806240 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CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1 ZINC000002877653 555853329 /nfs/dbraw/zinc/85/33/29/555853329.db2.gz ZNAYCNUOKJRDDB-UHFFFAOYSA-N 0 0 438.275 3.233 50 0 IGAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000002881300 555855266 /nfs/dbraw/zinc/85/52/66/555855266.db2.gz GKPNQSDLFSAGJJ-UHFFFAOYSA-N 0 0 427.505 3.406 50 0 IGAARN Cc1ccc(C(=O)NC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)cc1Br ZINC000002890886 555859560 /nfs/dbraw/zinc/85/95/60/555859560.db2.gz XSMPKGYKPFIELA-UHFFFAOYSA-N 0 0 442.379 3.325 50 0 IGAARN COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002946572 555865359 /nfs/dbraw/zinc/86/53/59/555865359.db2.gz ZLRJWVRWMNBYNH-UHFFFAOYSA-N 0 0 445.368 3.337 50 0 IGAARN COCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002959590 555867225 /nfs/dbraw/zinc/86/72/25/555867225.db2.gz YISAWDGXVRJTOP-UHFFFAOYSA-N 0 0 431.341 3.341 50 0 IGAARN C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000002993117 555875448 /nfs/dbraw/zinc/87/54/48/555875448.db2.gz 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CCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000034857661 555924627 /nfs/dbraw/zinc/92/46/27/555924627.db2.gz XQVVEMOSGWUUMX-IBGZPJMESA-N 0 0 435.634 3.345 50 0 IGAARN O=C(Cc1ccccc1)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000034899571 555928936 /nfs/dbraw/zinc/92/89/36/555928936.db2.gz SRWCNFFUDGZDIB-DNQXCXABSA-N 0 0 447.579 3.325 50 0 IGAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O ZINC000003620277 555941376 /nfs/dbraw/zinc/94/13/76/555941376.db2.gz BTBIIUUFJDSZCY-UHFFFAOYSA-N 0 0 442.313 3.136 50 0 IGAARN COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)c2)c(OC)c1 ZINC000004196078 555975331 /nfs/dbraw/zinc/97/53/31/555975331.db2.gz RSKYRWYPOSHAMP-ZQOWJTJWSA-N 0 0 436.464 3.092 50 0 IGAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1 ZINC000004520133 555999242 /nfs/dbraw/zinc/99/92/42/555999242.db2.gz VLRVNSNAZOHNNA-HXUWFJFHSA-N 0 0 425.485 3.070 50 0 IGAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(CCCc2ccccc2)C1=S 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COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)[C@@H]1CCCO1 ZINC000013723334 556291584 /nfs/dbraw/zinc/29/15/84/556291584.db2.gz CPJPIVRDACYYGG-IBGZPJMESA-N 0 0 434.558 3.400 50 0 IGAARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 ZINC000009525884 556296461 /nfs/dbraw/zinc/29/64/61/556296461.db2.gz QNHKEARDRJUXJT-HNNXBMFYSA-N 0 0 430.888 3.446 50 0 IGAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000013733999 556297104 /nfs/dbraw/zinc/29/71/04/556297104.db2.gz IRAVIMIOUVTNBH-UHFFFAOYSA-N 0 0 430.302 3.441 50 0 IGAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCCn4ccnc4)cc3)cc2c1 ZINC000013736276 556297809 /nfs/dbraw/zinc/29/78/09/556297809.db2.gz PDVZGPBZULVSDG-UHFFFAOYSA-N 0 0 433.464 3.250 50 0 IGAARN CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000032735820 556305488 /nfs/dbraw/zinc/30/54/88/556305488.db2.gz SFVYLGBZYNAKRR-GOSISDBHSA-N 0 0 430.574 3.371 50 0 IGAARN CCn1nnc2cc(C(=O)NCCN3C(=O)S/C(=C\c4ccc(F)cc4)C3=O)ccc21 ZINC000009713871 556307287 /nfs/dbraw/zinc/30/72/87/556307287.db2.gz FKSGPJBAKRIKGK-WQRHYEAKSA-N 0 0 439.472 3.057 50 0 IGAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(C)cc2)c(=O)n3Cc2ccccc2)C1 ZINC000009830544 556311359 /nfs/dbraw/zinc/31/13/59/556311359.db2.gz BTHWKEXOSHGVDD-UHFFFAOYSA-N 0 0 445.544 3.475 50 0 IGAARN CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000009892545 556315671 /nfs/dbraw/zinc/31/56/71/556315671.db2.gz KTLYPABLDDUZRZ-KRWDZBQOSA-N 0 0 429.542 3.065 50 0 IGAARN NC(=O)CSc1ccccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000032747584 556316598 /nfs/dbraw/zinc/31/65/98/556316598.db2.gz LRLZVUKVQDLGJG-UHFFFAOYSA-N 0 0 436.537 3.343 50 0 IGAARN CCOCCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000013847923 556319677 /nfs/dbraw/zinc/31/96/77/556319677.db2.gz WAPPOTUGJIAVEX-IBGZPJMESA-N 0 0 437.540 3.451 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1nc(-c2ccccc2)no1 ZINC000032759626 556319890 /nfs/dbraw/zinc/31/98/90/556319890.db2.gz XNRFQPXFDVDRBL-JOCHJYFZSA-N 0 0 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COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000010060204 556324647 /nfs/dbraw/zinc/32/46/47/556324647.db2.gz SDXSMDACRGULMX-UHFFFAOYSA-N 0 0 431.876 3.032 50 0 IGAARN O=C(NC1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1)c1ccccc1 ZINC000032755408 556324669 /nfs/dbraw/zinc/32/46/69/556324669.db2.gz BRCMHPBJSYZCTP-SFHVURJKSA-N 0 0 425.554 3.021 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000032776955 556327149 /nfs/dbraw/zinc/32/71/49/556327149.db2.gz JOQFUSTXGCHQRQ-OAHLLOKOSA-N 0 0 431.539 3.144 50 0 IGAARN Cc1sc2nc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)nc(N)c2c1C ZINC000032776961 556327308 /nfs/dbraw/zinc/32/73/08/556327308.db2.gz GSDDLTYXSNAAJM-UHFFFAOYSA-N 0 0 447.611 3.029 50 0 IGAARN O=c1[nH]nc(-c2ccc(F)cc2)c2c1Nc1nnnn1[C@H]2c1cccc(Br)c1 ZINC000010232676 556327918 /nfs/dbraw/zinc/32/79/18/556327918.db2.gz SDTKSIKBIKYFHC-INIZCTEOSA-N 0 0 440.236 3.432 50 0 IGAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2O)cc1 ZINC000013895364 556328965 /nfs/dbraw/zinc/32/89/65/556328965.db2.gz HZXFEVMHHNIESS-XMMPIXPASA-N 0 0 448.475 3.237 50 0 IGAARN CCc1ccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297213 556330166 /nfs/dbraw/zinc/33/01/66/556330166.db2.gz PUIWXABGBDRRCR-FQEVSTJZSA-N 0 0 431.456 3.110 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032777517 556330409 /nfs/dbraw/zinc/33/04/09/556330409.db2.gz DKVZUBINPVSSIE-INIZCTEOSA-N 0 0 443.500 3.221 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)c(Br)c1 ZINC000032770612 556334581 /nfs/dbraw/zinc/33/45/81/556334581.db2.gz SXOHXZRFKRBPTQ-UHFFFAOYSA-N 0 0 442.331 3.292 50 0 IGAARN CS(=O)(=O)N1CCC(NC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000032771038 556334879 /nfs/dbraw/zinc/33/48/79/556334879.db2.gz CMCYIMRCULXTDC-UHFFFAOYSA-N 0 0 428.510 3.166 50 0 IGAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)cc1C ZINC000013941712 556338673 /nfs/dbraw/zinc/33/86/73/556338673.db2.gz OZJCQVXPQBRZAB-QUCCMNQESA-N 0 0 435.524 3.204 50 0 IGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c(OC)c1 ZINC000013944811 556342363 /nfs/dbraw/zinc/34/23/63/556342363.db2.gz FGPFFEKKLULIBK-OAHLLOKOSA-N 0 0 425.460 3.354 50 0 IGAARN CCOC(=O)c1cc(I)cc(I)c1OCC ZINC000013955219 556344854 /nfs/dbraw/zinc/34/48/54/556344854.db2.gz QBMLLTMVAXNIOS-UHFFFAOYSA-N 0 0 446.022 3.471 50 0 IGAARN CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011702728 556347222 /nfs/dbraw/zinc/34/72/22/556347222.db2.gz VGKLKBUHVJQBSS-QFIPXVFZSA-N 0 0 431.540 3.437 50 0 IGAARN Cc1cc(OCn2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)n2)ccc1Cl ZINC000013960115 556347334 /nfs/dbraw/zinc/34/73/34/556347334.db2.gz FSVXAOPABTXVRN-KRWDZBQOSA-N 0 0 434.777 3.302 50 0 IGAARN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000013960912 556348334 /nfs/dbraw/zinc/34/83/34/556348334.db2.gz YILWFJBVIQWTFU-UHFFFAOYSA-N 0 0 430.921 3.191 50 0 IGAARN Cn1c2ccccc2c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1 ZINC000032784571 556349963 /nfs/dbraw/zinc/34/99/63/556349963.db2.gz WMKXXAXATFEOII-UHFFFAOYSA-N 0 0 433.533 3.465 50 0 IGAARN CN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)(c2cccc(F)c2)C1=O ZINC000011782377 556350924 /nfs/dbraw/zinc/35/09/24/556350924.db2.gz WXSBYQCFCYZNON-LMKMVOKYSA-N 0 0 449.482 3.390 50 0 IGAARN CCOC(=O)c1ccsc1NC(=O)CSc1nncn1-c1cccc(NC(C)=O)c1 ZINC000032778441 556351422 /nfs/dbraw/zinc/35/14/22/556351422.db2.gz XOYJZLSVCAHKNQ-UHFFFAOYSA-N 0 0 445.526 3.195 50 0 IGAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013984808 556351473 /nfs/dbraw/zinc/35/14/73/556351473.db2.gz NYMKCQWSQUOXEL-QMMLZNLJSA-N 0 0 438.590 3.123 50 0 IGAARN COc1cccc(C[C@@H](C2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)c2ccn(C)n2)c1 ZINC000011783574 556351732 /nfs/dbraw/zinc/35/17/32/556351732.db2.gz RJUXZHWPURNESD-QHCPKHFHSA-N 0 0 440.588 3.397 50 0 IGAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000013992419 556353101 /nfs/dbraw/zinc/35/31/01/556353101.db2.gz 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O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCc1nnc(-c2ccco2)o1 ZINC000014083013 556363150 /nfs/dbraw/zinc/36/31/50/556363150.db2.gz VUEQGPXPVVKTSG-UHFFFAOYSA-N 0 0 426.454 3.182 50 0 IGAARN COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2C)N2CCOCC2)cc1OC ZINC000032801835 556364915 /nfs/dbraw/zinc/36/49/15/556364915.db2.gz HQSAFZGBYSZBNM-RXVVDRJESA-N 0 0 427.545 3.446 50 0 IGAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)c1 ZINC000011843468 556366665 /nfs/dbraw/zinc/36/66/65/556366665.db2.gz FTHUNERPBAZVQC-SFHVURJKSA-N 0 0 438.572 3.256 50 0 IGAARN Cc1nnc(SCCNC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)s1 ZINC000011843431 556366677 /nfs/dbraw/zinc/36/66/77/556366677.db2.gz AGLRVFVKVYUDKH-UHFFFAOYSA-N 0 0 428.465 3.027 50 0 IGAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000014094981 556366847 /nfs/dbraw/zinc/36/68/47/556366847.db2.gz HZERWTBXAQONJD-FQEVSTJZSA-N 0 0 446.473 3.156 50 0 IGAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000014095862 556367540 /nfs/dbraw/zinc/36/75/40/556367540.db2.gz GLDNFFQLOHJAFR-UHFFFAOYSA-N 0 0 432.527 3.265 50 0 IGAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nn2c(nnc(C(C)(C)C)c2=O)s1 ZINC000014117052 556370873 /nfs/dbraw/zinc/37/08/73/556370873.db2.gz WELOKDMRTCYCQJ-UHFFFAOYSA-N 0 0 444.007 3.309 50 0 IGAARN Cc1cc(=O)c(C(=O)NCCc2ccccn2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000011910939 556374993 /nfs/dbraw/zinc/37/49/93/556374993.db2.gz UVYBEXNXKPIFRP-QHCPKHFHSA-N 0 0 445.563 3.488 50 0 IGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000014140800 556376470 /nfs/dbraw/zinc/37/64/70/556376470.db2.gz VFGNLFMMDJTXPZ-UHFFFAOYSA-N 0 0 444.484 3.131 50 0 IGAARN CC(=O)c1cc(CCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)oc1C ZINC000014166664 556379785 /nfs/dbraw/zinc/37/97/85/556379785.db2.gz QMVITXUDVXJLCJ-UHFFFAOYSA-N 0 0 445.475 3.250 50 0 IGAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 ZINC000011957777 556381025 /nfs/dbraw/zinc/38/10/25/556381025.db2.gz VLSQWANASOMQAB-JOCHJYFZSA-N 0 0 433.936 3.101 50 0 IGAARN Cc1c(C(=O)N(C)[C@@H]2CCOC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000011979240 556383424 /nfs/dbraw/zinc/38/34/24/556383424.db2.gz FAXJBTVCFBJHAS-CQSZACIVSA-N 0 0 426.498 3.201 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000014196826 556388411 /nfs/dbraw/zinc/38/84/11/556388411.db2.gz ZZCZHTDPYQRCFK-UHFFFAOYSA-N 0 0 444.475 3.229 50 0 IGAARN CC(=O)N[C@H](CC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O)c1ccccc1 ZINC000014197501 556389073 /nfs/dbraw/zinc/38/90/73/556389073.db2.gz MRGAPZNRJIEBCK-LJQANCHMSA-N 0 0 432.505 3.463 50 0 IGAARN CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccco1 ZINC000014198248 556389398 /nfs/dbraw/zinc/38/93/98/556389398.db2.gz SIAOKZCMZOCVAO-SNVBAGLBSA-N 0 0 431.543 3.326 50 0 IGAARN O=C(C1CCCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000012035696 556389797 /nfs/dbraw/zinc/38/97/97/556389797.db2.gz AHHRSJRJUJYKGZ-UHFFFAOYSA-N 0 0 432.524 3.107 50 0 IGAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014199115 556390335 /nfs/dbraw/zinc/39/03/35/556390335.db2.gz CRYNWJNCIXNIEJ-UHFFFAOYSA-N 0 0 427.888 3.160 50 0 IGAARN CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000014201724 556392034 /nfs/dbraw/zinc/39/20/34/556392034.db2.gz POEXCKGSNLQOTF-OAQYLSRUSA-N 0 0 437.565 3.420 50 0 IGAARN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCN(c2ncccn2)CC1 ZINC000012056949 556394558 /nfs/dbraw/zinc/39/45/58/556394558.db2.gz KVJOAQHXSKSSEC-UHFFFAOYSA-N 0 0 433.512 3.275 50 0 IGAARN Cc1csc(-c2ccc(OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000014228690 556396068 /nfs/dbraw/zinc/39/60/68/556396068.db2.gz UNEQJSQACRFEGZ-SFHVURJKSA-N 0 0 434.583 3.456 50 0 IGAARN COc1cc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000014236477 556399433 /nfs/dbraw/zinc/39/94/33/556399433.db2.gz BEUKKHYEEJVVHJ-UHFFFAOYSA-N 0 0 426.922 3.281 50 0 IGAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)Cn1nc(SCC(N)=O)sc1=S ZINC000014237262 556399664 /nfs/dbraw/zinc/39/96/64/556399664.db2.gz YNGALBLXJSDGGT-UHFFFAOYSA-N 0 0 436.588 3.170 50 0 IGAARN COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000014240519 556400934 /nfs/dbraw/zinc/40/09/34/556400934.db2.gz RNQILXWFXOTQOI-UHFFFAOYSA-N 0 0 443.352 3.415 50 0 IGAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1cccs1 ZINC000014245917 556405735 /nfs/dbraw/zinc/40/57/35/556405735.db2.gz YIRCJNUZZNCBEX-CQSZACIVSA-N 0 0 444.534 3.446 50 0 IGAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCCN4CCCC4=O)cc3)n2)cc1 ZINC000032578999 556406075 /nfs/dbraw/zinc/40/60/75/556406075.db2.gz CNRYTUIRBQEYSP-UHFFFAOYSA-N 0 0 434.496 3.220 50 0 IGAARN Cc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000032594053 556407533 /nfs/dbraw/zinc/40/75/33/556407533.db2.gz RUPIHEFADJTYRK-QGZVFWFLSA-N 0 0 433.551 3.236 50 0 IGAARN CC[C@H](C)Nc1nc(N(C)C)nc(-n2cnc(SCCOc3ccc(C)cc3)n2)n1 ZINC000032598838 556407967 /nfs/dbraw/zinc/40/79/67/556407967.db2.gz ICJIAWJMTHQSKD-HNNXBMFYSA-N 0 0 428.566 3.208 50 0 IGAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000014252832 556409871 /nfs/dbraw/zinc/40/98/71/556409871.db2.gz YAQYQLXCZNHYOD-UHFFFAOYSA-N 0 0 426.782 3.032 50 0 IGAARN CC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000014253889 556410164 /nfs/dbraw/zinc/41/01/64/556410164.db2.gz URVRNDZJNAGOLB-UHFFFAOYSA-N 0 0 433.493 3.351 50 0 IGAARN O=S(=O)(c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1)N1CCCCC1 ZINC000032825004 556410637 /nfs/dbraw/zinc/41/06/37/556410637.db2.gz USWXOWAECHQCIE-UHFFFAOYSA-N 0 0 429.468 3.194 50 0 IGAARN Cn1c(=O)oc2ccc(S(=O)(=O)N3CCS[C@@H](c4cc(F)ccc4F)CC3)cc21 ZINC000219359009 556413492 /nfs/dbraw/zinc/41/34/92/556413492.db2.gz NNVZHZYSSSYLRH-GOSISDBHSA-N 0 0 440.493 3.279 50 0 IGAARN CC(C)CNC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000032670224 556414282 /nfs/dbraw/zinc/41/42/82/556414282.db2.gz SCGYZTGZGOWGPB-UHFFFAOYSA-N 0 0 434.631 3.267 50 0 IGAARN Cc1nc(-c2ccc(CCNC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)s2)cs1 ZINC000032837338 556418774 /nfs/dbraw/zinc/41/87/74/556418774.db2.gz MZTNIMXOWGXPEI-UHFFFAOYSA-N 0 0 440.550 3.345 50 0 IGAARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)ccc1Br ZINC000012972703 556419265 /nfs/dbraw/zinc/41/92/65/556419265.db2.gz IJDISGFFKVDLMD-LJQANCHMSA-N 0 0 434.265 3.302 50 0 IGAARN O=C(c1cccc(F)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2cccnc2)C1 ZINC000014532316 556421010 /nfs/dbraw/zinc/42/10/10/556421010.db2.gz ZHAALXINDXJMGW-QFIPXVFZSA-N 0 0 425.504 3.423 50 0 IGAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1C ZINC000012978654 556423391 /nfs/dbraw/zinc/42/33/91/556423391.db2.gz CLSMFYZSKURBSL-INIZCTEOSA-N 0 0 443.569 3.093 50 0 IGAARN COCCn1c2ncc(N[C@@H](C)CC(C)(C)O)cc2c(NC(=O)CC(C)C)c1C(=O)OC ZINC000014535941 556423478 /nfs/dbraw/zinc/42/34/78/556423478.db2.gz SKYJWCSNKSTCQF-HNNXBMFYSA-N 0 0 448.564 3.415 50 0 IGAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C(N)=O)cc1)CC2 ZINC000012979236 556423682 /nfs/dbraw/zinc/42/36/82/556423682.db2.gz IPVNCDGCOMKIHH-VWLOTQADSA-N 0 0 445.519 3.389 50 0 IGAARN CNC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012979315 556423720 /nfs/dbraw/zinc/42/37/20/556423720.db2.gz FPMDXCQXJBSRQP-UHFFFAOYSA-N 0 0 443.569 3.182 50 0 IGAARN CCOC(=O)c1c(CN(C)CC(=O)NCCOC)nc2ccccc2c1-c1ccccc1 ZINC000012980871 556424255 /nfs/dbraw/zinc/42/42/55/556424255.db2.gz ZMBRBHIZBTUDRC-UHFFFAOYSA-N 0 0 435.524 3.273 50 0 IGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000012982678 556425138 /nfs/dbraw/zinc/42/51/38/556425138.db2.gz KFBXOBSEOHXAJO-UHFFFAOYSA-N 0 0 436.339 3.464 50 0 IGAARN Cc1ccc([C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(F)(F)F)o1 ZINC000012987547 556427653 /nfs/dbraw/zinc/42/76/53/556427653.db2.gz IWFCKYFYJVXMJL-MRXNPFEDSA-N 0 0 433.404 3.069 50 0 IGAARN COc1cccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1OC ZINC000012990666 556428444 /nfs/dbraw/zinc/42/84/44/556428444.db2.gz LTFJDYKJXHDZPR-UHFFFAOYSA-N 0 0 427.526 3.082 50 0 IGAARN CC[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000012995604 556430734 /nfs/dbraw/zinc/43/07/34/556430734.db2.gz BNZKLKZJQWXUPT-INIZCTEOSA-N 0 0 430.302 3.110 50 0 IGAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000012996754 556431337 /nfs/dbraw/zinc/43/13/37/556431337.db2.gz LOXOSEVWJOEGOY-UHFFFAOYSA-N 0 0 447.447 3.045 50 0 IGAARN O=C(NCCc1ccccc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012997287 556431762 /nfs/dbraw/zinc/43/17/62/556431762.db2.gz LMQUGTDTWPDJOK-UHFFFAOYSA-N 0 0 442.368 3.252 50 0 IGAARN O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1Cl ZINC000012998281 556432132 /nfs/dbraw/zinc/43/21/32/556432132.db2.gz PBVKZMSHCXHOTA-UHFFFAOYSA-N 0 0 440.903 3.446 50 0 IGAARN Cc1cc(C)cc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000012998239 556432162 /nfs/dbraw/zinc/43/21/62/556432162.db2.gz BOAMZHVHZYMSFU-UHFFFAOYSA-N 0 0 443.525 3.025 50 0 IGAARN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000032854640 556432622 /nfs/dbraw/zinc/43/26/22/556432622.db2.gz WPSSOIWGUWJRMV-IBGZPJMESA-N 0 0 431.492 3.239 50 0 IGAARN O=S(=O)(c1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 ZINC000032855706 556433199 /nfs/dbraw/zinc/43/31/99/556433199.db2.gz GFFDRTWCEUKMDO-UHFFFAOYSA-N 0 0 432.325 3.472 50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000027812479 556433374 /nfs/dbraw/zinc/43/33/74/556433374.db2.gz FPIAPCNZDYMEQK-HNNXBMFYSA-N 0 0 443.525 3.219 50 0 IGAARN Cc1ccc(CNC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F ZINC000032858002 556434212 /nfs/dbraw/zinc/43/42/12/556434212.db2.gz IDYMTWPGOITFBR-QFIPXVFZSA-N 0 0 425.504 3.030 50 0 IGAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)o2)c1 ZINC000013027011 556440571 /nfs/dbraw/zinc/44/05/71/556440571.db2.gz OSLVVLDDHJILQV-UHFFFAOYSA-N 0 0 435.527 3.296 50 0 IGAARN CC(=O)N1CCN([C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC000013037879 556443471 /nfs/dbraw/zinc/44/34/71/556443471.db2.gz KHMSXAJXGKAPKJ-FOIQADDNSA-N 0 0 428.920 3.163 50 0 IGAARN O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000028255029 556446901 /nfs/dbraw/zinc/44/69/01/556446901.db2.gz DKNICBXCSGVEGU-UHFFFAOYSA-N 0 0 428.388 3.035 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc(C)cs1 ZINC000013041386 556447546 /nfs/dbraw/zinc/44/75/46/556447546.db2.gz MCMOBJLWMNNSHT-UHFFFAOYSA-N 0 0 429.523 3.464 50 0 IGAARN Cc1cccc(OCCNC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000032862327 556447925 /nfs/dbraw/zinc/44/79/25/556447925.db2.gz QPTOCVBQOFJQKK-UHFFFAOYSA-N 0 0 425.485 3.163 50 0 IGAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCOCC2)cc1 ZINC000028288458 556448181 /nfs/dbraw/zinc/44/81/81/556448181.db2.gz VYFSSKHYAWRKQH-OAQYLSRUSA-N 0 0 436.508 3.222 50 0 IGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000032863455 556448597 /nfs/dbraw/zinc/44/85/97/556448597.db2.gz CEADQULRLYLTND-NRFANRHFSA-N 0 0 438.915 3.198 50 0 IGAARN COc1cc2ncn(CCCC(=O)OCc3cccc4cccnc43)c(=O)c2cc1OC ZINC000032865467 556450696 /nfs/dbraw/zinc/45/06/96/556450696.db2.gz 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COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)NCc1ccccn1 ZINC000013098929 556459429 /nfs/dbraw/zinc/45/94/29/556459429.db2.gz MZJTWTJPQCTMGW-UHFFFAOYSA-N 0 0 425.510 3.438 50 0 IGAARN Cc1ccc(NC(=O)COc2ncnc3sccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000013108825 556462682 /nfs/dbraw/zinc/46/26/82/556462682.db2.gz SCZNQQPAVQNWDF-UHFFFAOYSA-N 0 0 446.554 3.192 50 0 IGAARN O=c1c(Br)c(Br)cnn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000028950528 556464928 /nfs/dbraw/zinc/46/49/28/556464928.db2.gz XXPMNJUGIQKAJH-UHFFFAOYSA-N 0 0 430.031 3.006 50 0 IGAARN Cc1cc(C)c(C)c2[nH]c(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc21 ZINC000029009463 556465580 /nfs/dbraw/zinc/46/55/80/556465580.db2.gz WXGULHHJNZKFLI-UHFFFAOYSA-N 0 0 425.554 3.381 50 0 IGAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000013112857 556465821 /nfs/dbraw/zinc/46/58/21/556465821.db2.gz FUCDRXGYHGKYTD-GOSISDBHSA-N 0 0 440.503 3.478 50 0 IGAARN O=C1c2cccc(N3CCN(C/C=C/c4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000014972930 556467466 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CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1cccc(OC)c1 ZINC000013591812 556530080 /nfs/dbraw/zinc/53/00/80/556530080.db2.gz UFYYWAAPAXBUEA-IERDGZPVSA-N 0 0 435.528 3.306 50 0 IGAARN COc1cccc(NC(=O)CN(C)CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1 ZINC000015480706 556530068 /nfs/dbraw/zinc/53/00/68/556530068.db2.gz FEVSTNBZXNUTFS-UHFFFAOYSA-N 0 0 435.524 3.386 50 0 IGAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000015495983 556530967 /nfs/dbraw/zinc/53/09/67/556530967.db2.gz YNYUFWVOXWMUJE-UHFFFAOYSA-N 0 0 442.516 3.032 50 0 IGAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)Cc3cn4ccsc4n3)n2)cc1 ZINC000015544956 556533836 /nfs/dbraw/zinc/53/38/36/556533836.db2.gz MUBJIJOMZONSPF-UHFFFAOYSA-N 0 0 433.540 3.072 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)cc1 ZINC000013624802 556536678 /nfs/dbraw/zinc/53/66/78/556536678.db2.gz URQNGWXENHSARU-KRWDZBQOSA-N 0 0 449.960 3.016 50 0 IGAARN O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cc2c(cc1Br)OCCO2 ZINC000032902060 556538664 /nfs/dbraw/zinc/53/86/64/556538664.db2.gz ZOOBLSSHDOIHHI-UHFFFAOYSA-N 0 0 433.258 3.123 50 0 IGAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)ccc1OCc1ccccc1 ZINC000032671052 556546293 /nfs/dbraw/zinc/54/62/93/556546293.db2.gz OKLRFUGPTCCWRJ-JOCHJYFZSA-N 0 0 440.496 3.482 50 0 IGAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)c(C)c1 ZINC000015725717 556547133 /nfs/dbraw/zinc/54/71/33/556547133.db2.gz GXHSRIKCDBXERK-UHFFFAOYSA-N 0 0 425.913 3.097 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000032722347 556547786 /nfs/dbraw/zinc/54/77/86/556547786.db2.gz LVLCFYYNOIYSBR-FQEVSTJZSA-N 0 0 443.569 3.181 50 0 IGAARN COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000072304623 556548767 /nfs/dbraw/zinc/54/87/67/556548767.db2.gz CAJCWQWZNOOSTE-UHFFFAOYSA-N 0 0 447.406 3.167 50 0 IGAARN O=c1/c(=C/c2ccccc2OS(=O)(=O)c2ccccc2)sc2nc3ccccc3n12 ZINC000015769487 556549939 /nfs/dbraw/zinc/54/99/39/556549939.db2.gz WLYHXCYLISNOTN-ZHZULCJRSA-N 0 0 434.498 3.225 50 0 IGAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)oc2c1C ZINC000015831269 556554730 /nfs/dbraw/zinc/55/47/30/556554730.db2.gz FTSWORPOAIRTKZ-SFHVURJKSA-N 0 0 425.506 3.239 50 0 IGAARN Cc1cccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000015835798 556555361 /nfs/dbraw/zinc/55/53/61/556555361.db2.gz OCANLQWFWFCBGG-UHFFFAOYSA-N 0 0 426.991 3.464 50 0 IGAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1 ZINC000015869537 556560310 /nfs/dbraw/zinc/56/03/10/556560310.db2.gz QTXTTWPHUGHCSN-UHFFFAOYSA-N 0 0 426.494 3.437 50 0 IGAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cccc(C)c3C)[nH]c2=O)cc1 ZINC000015882069 556561331 /nfs/dbraw/zinc/56/13/31/556561331.db2.gz MYTDLAPEEDILKH-UHFFFAOYSA-N 0 0 434.525 3.472 50 0 IGAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3c(C)cccc3C)[nH]c2=O)cc1 ZINC000015882070 556561349 /nfs/dbraw/zinc/56/13/49/556561349.db2.gz QMFSYXYJKJXHTJ-UHFFFAOYSA-N 0 0 434.525 3.472 50 0 IGAARN CCc1ccccc1NC(=O)CSc1nnc2[nH]c(=O)c(Cc3ccc(C)cc3)nn21 ZINC000015882074 556561354 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3.405 50 0 IGAARN Cc1ccc(C)c(-n2cc(CN3CCN(C(=O)c4nc[nH]n4)CC3)c(-c3ccccc3)n2)c1 ZINC000015961668 556569441 /nfs/dbraw/zinc/56/94/41/556569441.db2.gz CMJCPPZNHPQCPA-UHFFFAOYSA-N 0 0 441.539 3.232 50 0 IGAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015988969 556571389 /nfs/dbraw/zinc/57/13/89/556571389.db2.gz UFNGSDFRPWTFSB-SUWCGCSTSA-N 0 0 442.302 3.425 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(Cl)c3)c2)C[C@H](C)O1 ZINC000015990165 556571742 /nfs/dbraw/zinc/57/17/42/556571742.db2.gz NFNWNJPSFPHJMZ-HOTGVXAUSA-N 0 0 436.961 3.410 50 0 IGAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000032909348 556573105 /nfs/dbraw/zinc/57/31/05/556573105.db2.gz YQIRLJOTPAHXRO-NRFANRHFSA-N 0 0 448.523 3.483 50 0 IGAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032910443 556575602 /nfs/dbraw/zinc/57/56/02/556575602.db2.gz ABMWJYJXRULKDO-CQSZACIVSA-N 0 0 435.509 3.327 50 0 IGAARN 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CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCc3nc(-c4ccsc4)no3)ccc21 ZINC000016547167 556614588 /nfs/dbraw/zinc/61/45/88/556614588.db2.gz KQBMXYSFQXNTAD-CYBMUJFWSA-N 0 0 439.493 3.454 50 0 IGAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)cc1OC ZINC000038654848 556615308 /nfs/dbraw/zinc/61/53/08/556615308.db2.gz CIXZFSBQAPNVSY-UHFFFAOYSA-N 0 0 435.527 3.092 50 0 IGAARN COC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O ZINC000033653045 556619498 /nfs/dbraw/zinc/61/94/98/556619498.db2.gz OBUCSVNCANRFLE-CLTKARDFSA-N 0 0 425.054 3.014 50 0 IGAARN Cc1ccc2nc(NC(=O)CSc3n[nH]c(=O)n3CCc3ccccc3)sc2c1 ZINC000016666048 556621163 /nfs/dbraw/zinc/62/11/63/556621163.db2.gz FZGSKHBTHNWNDC-UHFFFAOYSA-N 0 0 425.539 3.463 50 0 IGAARN COc1ccc(CN2CCN(Cc3nccn3-c3cccc(C)c3)C[C@H]2CCO)c(F)c1 ZINC000039445440 556628785 /nfs/dbraw/zinc/62/87/85/556628785.db2.gz MUFRPWNZMHMUFT-JOCHJYFZSA-N 0 0 438.547 3.397 50 0 IGAARN COc1ccc(-c2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2)cc1 ZINC000016706946 556630174 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CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4ccccc4)nnc3c2=O)cc1 ZINC000046005661 556689857 /nfs/dbraw/zinc/68/98/57/556689857.db2.gz KTAHIYALNZCEPV-QGZVFWFLSA-N 0 0 431.496 3.486 50 0 IGAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21 ZINC000033023236 556691411 /nfs/dbraw/zinc/69/14/11/556691411.db2.gz BLJUYMSMHPOGTD-MRXNPFEDSA-N 0 0 447.605 3.252 50 0 IGAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(F)c1 ZINC000024217940 556693465 /nfs/dbraw/zinc/69/34/65/556693465.db2.gz CBDJHKMNYQAGPP-UHFFFAOYSA-N 0 0 433.524 3.324 50 0 IGAARN O=C(NCc1ccccn1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033023883 556694142 /nfs/dbraw/zinc/69/41/42/556694142.db2.gz AHCHQIGELWIDEC-XMMPIXPASA-N 0 0 445.544 3.441 50 0 IGAARN Cc1c(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)oc2c1c(C)ccc2C ZINC000072313757 556694441 /nfs/dbraw/zinc/69/44/41/556694441.db2.gz QXRYTXUKXAAKRZ-UHFFFAOYSA-N 0 0 448.479 3.103 50 0 IGAARN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccco1 ZINC000033024264 556694863 /nfs/dbraw/zinc/69/48/63/556694863.db2.gz JLWBAZHOYBWJAG-IBGZPJMESA-N 0 0 431.489 3.252 50 0 IGAARN O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000138066220 556699707 /nfs/dbraw/zinc/69/97/07/556699707.db2.gz FBZCIMOIZKPVIV-AVJFOWIRSA-N 0 0 441.462 3.410 50 0 IGAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N(C)C3CCCCC3)n2C)cc1C ZINC000048513887 556700234 /nfs/dbraw/zinc/70/02/34/556700234.db2.gz GGHNCHYROXNLNK-UHFFFAOYSA-N 0 0 429.590 3.496 50 0 IGAARN Cn1c(CCNC(=O)C2CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000033026069 556702522 /nfs/dbraw/zinc/70/25/22/556702522.db2.gz QTRVKFLPDHKDRT-UHFFFAOYSA-N 0 0 426.904 3.313 50 0 IGAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nn2)n1 ZINC000049343626 556704772 /nfs/dbraw/zinc/70/47/72/556704772.db2.gz FZHSIFRHOWTMAI-UHFFFAOYSA-N 0 0 427.512 3.296 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000013633444 556705466 /nfs/dbraw/zinc/70/54/66/556705466.db2.gz 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CCOc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000033037894 556723627 /nfs/dbraw/zinc/72/36/27/556723627.db2.gz QUYGIQXVWKQUFR-UHFFFAOYSA-N 0 0 433.512 3.294 50 0 IGAARN O=C(COC(=O)c1cncc(Br)c1)NCc1ccccc1Br ZINC000072328252 556724666 /nfs/dbraw/zinc/72/46/66/556724666.db2.gz KKPAJQKSYZSODN-UHFFFAOYSA-N 0 0 428.080 3.080 50 0 IGAARN O=C(COC(=O)c1ccccc1I)NCc1ccc(F)cc1F ZINC000072330004 556727431 /nfs/dbraw/zinc/72/74/31/556727431.db2.gz KBWAQFLGYLMVLP-UHFFFAOYSA-N 0 0 431.176 3.043 50 0 IGAARN COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc(Cl)c3C)n2)CC1 ZINC000054274354 556729768 /nfs/dbraw/zinc/72/97/68/556729768.db2.gz SZQAAOXKWXLBOM-UHFFFAOYSA-N 0 0 439.951 3.490 50 0 IGAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c(OC)c1 ZINC000019299914 556735161 /nfs/dbraw/zinc/73/51/61/556735161.db2.gz HULOFEUDZZLKNS-MRXNPFEDSA-N 0 0 431.558 3.092 50 0 IGAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3cccc(CO)c3)ccc2Cl)C1 ZINC000078757631 556736304 /nfs/dbraw/zinc/73/63/04/556736304.db2.gz 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O=C(COC(=O)c1ccc(Cn2cncn2)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000010655213 556745650 /nfs/dbraw/zinc/74/56/50/556745650.db2.gz CMZHFNKEECONGE-UHFFFAOYSA-N 0 0 439.781 3.189 50 0 IGAARN Cc1cc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl ZINC000019363097 556745726 /nfs/dbraw/zinc/74/57/26/556745726.db2.gz VTZCIHKDUMFUMN-LJQANCHMSA-N 0 0 432.948 3.243 50 0 IGAARN Cc1nnc2sc(-c3ccc(CNC(=O)S(=O)(=O)c4ccc(Cl)cc4)cc3)nn12 ZINC000057351153 556747536 /nfs/dbraw/zinc/74/75/36/556747536.db2.gz DACFJLKTEZHHGW-UHFFFAOYSA-N 0 0 447.929 3.498 50 0 IGAARN COc1cccc(C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n2nnnc2C)c1 ZINC000058044919 556755088 /nfs/dbraw/zinc/75/50/88/556755088.db2.gz VIBHAPMZGBDRBD-AVRDEDQJSA-N 0 0 445.527 3.056 50 0 IGAARN O=C(CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)NCc1ccncc1 ZINC000058103891 556758507 /nfs/dbraw/zinc/75/85/07/556758507.db2.gz KHZGJNJKJZYWHV-UHFFFAOYSA-N 0 0 435.871 3.227 50 0 IGAARN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1=S ZINC000058157290 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CC(=O)N[C@H](CC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccc(Cl)cc1 ZINC000022974645 557055488 /nfs/dbraw/zinc/05/54/88/557055488.db2.gz JUPKPAWLWOIIBH-JOCHJYFZSA-N 0 0 427.932 3.459 50 0 IGAARN COCCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)ccc1=O ZINC000048276455 557056462 /nfs/dbraw/zinc/05/64/62/557056462.db2.gz IFMGYEPWKGZODI-OAQYLSRUSA-N 0 0 437.565 3.086 50 0 IGAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NC3CCCCC3)c1)NC(=O)CCC2=O ZINC000033276637 557057189 /nfs/dbraw/zinc/05/71/89/557057189.db2.gz KQTGQEAQNFAOCX-UHFFFAOYSA-N 0 0 444.557 3.404 50 0 IGAARN Cc1ccc(F)cc1NC(=O)CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1 ZINC000033277153 557058536 /nfs/dbraw/zinc/05/85/36/557058536.db2.gz YHCSHQXMAXAUOJ-UHFFFAOYSA-N 0 0 443.548 3.150 50 0 IGAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCC[C@@H](C)C2)cn3C2CC2)CC1 ZINC000051364365 557059182 /nfs/dbraw/zinc/05/91/82/557059182.db2.gz IUSMXVJPBWPOFA-QGZVFWFLSA-N 0 0 440.563 3.490 50 0 IGAARN COc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000010874602 557059204 /nfs/dbraw/zinc/05/92/04/557059204.db2.gz WFDSXJXREXBUKF-UHFFFAOYSA-N 0 0 447.538 3.126 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000023081017 557062670 /nfs/dbraw/zinc/06/26/70/557062670.db2.gz OREITKCCUSQSJC-UHFFFAOYSA-N 0 0 426.535 3.434 50 0 IGAARN CCOC(=O)C[C@@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)c1ccccc1 ZINC000033280307 557062949 /nfs/dbraw/zinc/06/29/49/557062949.db2.gz HRFFFXQRAHTXBQ-LJQANCHMSA-N 0 0 428.558 3.129 50 0 IGAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000033283860 557063230 /nfs/dbraw/zinc/06/32/30/557063230.db2.gz QMQGLYMZCIUJPQ-UHFFFAOYSA-N 0 0 439.472 3.023 50 0 IGAARN O=C(Cn1nc(-c2cccs2)c2sc(N3CCCC3)nc2c1=O)NCc1ccco1 ZINC000023108831 557063843 /nfs/dbraw/zinc/06/38/43/557063843.db2.gz INLMYSRYUCIUCB-UHFFFAOYSA-N 0 0 441.538 3.091 50 0 IGAARN CCCCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC ZINC000023114195 557063988 /nfs/dbraw/zinc/06/39/88/557063988.db2.gz MPCPORTZLKUPSI-UHFFFAOYSA-N 0 0 443.635 3.026 50 0 IGAARN CCOC(=O)c1cccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)c1 ZINC000033287332 557064275 /nfs/dbraw/zinc/06/42/75/557064275.db2.gz QWHZSWQABOSGGT-UHFFFAOYSA-N 0 0 434.496 3.202 50 0 IGAARN C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000048325017 557065893 /nfs/dbraw/zinc/06/58/93/557065893.db2.gz HKWNMGQXPSOTLT-MRXNPFEDSA-N 0 0 425.554 3.337 50 0 IGAARN CCOc1cc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)ccc1OC ZINC000023129397 557066186 /nfs/dbraw/zinc/06/61/86/557066186.db2.gz ADBXCTMDZWBYHF-NRFANRHFSA-N 0 0 444.572 3.180 50 0 IGAARN CS(=O)(=O)NCCCNC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000048325753 557066666 /nfs/dbraw/zinc/06/66/66/557066666.db2.gz BDPHQTVHTLRTSN-UHFFFAOYSA-N 0 0 433.317 3.242 50 0 IGAARN Cc1noc(Cn2cnc3c4ccccc4n(CC(=O)Nc4cccc(C)c4)c3c2=O)n1 ZINC000033280913 557066813 /nfs/dbraw/zinc/06/68/13/557066813.db2.gz QZOVNWAFPWANAZ-UHFFFAOYSA-N 0 0 428.452 3.038 50 0 IGAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)CCCC2 ZINC000048333186 557068072 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CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(Cc4ccsc4)CC3)c2)n1 ZINC000048343034 557071176 /nfs/dbraw/zinc/07/11/76/557071176.db2.gz MZSITZXGEGWTMR-UHFFFAOYSA-N 0 0 439.541 3.460 50 0 IGAARN CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000048354695 557072896 /nfs/dbraw/zinc/07/28/96/557072896.db2.gz LLDKYFILVOFGHZ-QFIPXVFZSA-N 0 0 427.570 3.099 50 0 IGAARN CC(C)n1nc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c2ccccc2c1=O ZINC000017364517 557074287 /nfs/dbraw/zinc/07/42/87/557074287.db2.gz LNUADMQXMOVVPB-UHFFFAOYSA-N 0 0 428.496 3.407 50 0 IGAARN Cc1ccc(F)c(-n2nnnc2CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1 ZINC000112526684 557078463 /nfs/dbraw/zinc/07/84/63/557078463.db2.gz VRZHYMFZQVFYOE-HSZRJFAPSA-N 0 0 430.443 3.230 50 0 IGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)nsc3c2=O)c1 ZINC000033300076 557078611 /nfs/dbraw/zinc/07/86/11/557078611.db2.gz MWISLNLUAMEGHY-UHFFFAOYSA-N 0 0 436.493 3.484 50 0 IGAARN O=C(Cn1nc2ccc(Sc3ccccc3)nn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000049001640 557080710 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O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC1CCCC1 ZINC000009518605 562972800 /nfs/dbraw/zinc/97/28/00/562972800.db2.gz WZAPQDCAAIEHON-UHFFFAOYSA-N 0 0 428.436 3.169 50 0 IGAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2C)c2ccccc21 ZINC000009519556 562972900 /nfs/dbraw/zinc/97/29/00/562972900.db2.gz GHYGHECQPGYGCH-UHFFFAOYSA-N 0 0 441.553 3.231 50 0 IGAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1OCC ZINC000009540170 562973073 /nfs/dbraw/zinc/97/30/73/562973073.db2.gz VPSUSWNGMJSENJ-UHFFFAOYSA-N 0 0 431.485 3.017 50 0 IGAARN CCc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1 ZINC000009588073 562973628 /nfs/dbraw/zinc/97/36/28/562973628.db2.gz OSXQUWLFPCCZAR-UHFFFAOYSA-N 0 0 428.510 3.197 50 0 IGAARN CN(C)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000009604004 562974024 /nfs/dbraw/zinc/97/40/24/562974024.db2.gz JQTLSHHPOKDDGD-UHFFFAOYSA-N 0 0 435.546 3.194 50 0 IGAARN CCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2ccccc2c1=O ZINC000009613338 562974212 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O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccccc1F ZINC000000950528 568645325 /nfs/dbraw/zinc/64/53/25/568645325.db2.gz YWHOWIPDUSYBRN-UHFFFAOYSA-N 0 0 446.434 3.460 50 0 IGAARN O=C(Nc1c(F)cc(F)cc1Br)c1n[nH]cc1I ZINC000001000840 568650044 /nfs/dbraw/zinc/65/00/44/568650044.db2.gz PPVYEEQRNCGYHQ-UHFFFAOYSA-N 0 0 427.974 3.307 50 0 IGAARN COc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001072878 568657615 /nfs/dbraw/zinc/65/76/15/568657615.db2.gz FQSZUTNWRKVNCX-UHFFFAOYSA-N 0 0 427.320 3.171 50 0 IGAARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(OC)c2OC)C1=O ZINC000001140069 568660696 /nfs/dbraw/zinc/66/06/96/568660696.db2.gz ASYSSWZLFXZAQJ-SDQBBNPISA-N 0 0 430.276 3.066 50 0 IGAARN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1I ZINC000015188600 568732087 /nfs/dbraw/zinc/73/20/87/568732087.db2.gz YWFMXCBVSWECIU-DHDCSXOGSA-N 0 0 434.258 3.070 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000005893891 568738443 /nfs/dbraw/zinc/73/84/43/568738443.db2.gz 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O=C(Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1)NCC(F)(F)F ZINC000044035866 568746226 /nfs/dbraw/zinc/74/62/26/568746226.db2.gz YNTUTUBXWNFCMQ-CQSZACIVSA-N 0 0 437.393 3.038 50 0 IGAARN COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)c1 ZINC000044037009 568746286 /nfs/dbraw/zinc/74/62/86/568746286.db2.gz ZNDPOIJLJVTQTE-UHFFFAOYSA-N 0 0 447.329 3.236 50 0 IGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c1C ZINC000003334523 568746505 /nfs/dbraw/zinc/74/65/05/568746505.db2.gz XRKIHHJDENWSSP-UHFFFAOYSA-N 0 0 429.586 3.133 50 0 IGAARN Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCCCC(=O)N1CCOCC1 ZINC000003447379 568749676 /nfs/dbraw/zinc/74/96/76/568749676.db2.gz OOBHFLXYXYVQLZ-UHFFFAOYSA-N 0 0 429.567 3.393 50 0 IGAARN COc1ccc(-c2nc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)cn1 ZINC000044213325 568749845 /nfs/dbraw/zinc/74/98/45/568749845.db2.gz UTPJBSUJGSXSCF-UHFFFAOYSA-N 0 0 446.507 3.483 50 0 IGAARN CC(C)Sc1ccc(CC(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000044452132 568752660 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50 0 IGAARN Cc1ccc(-c2nn3ccn(CC(=O)N[C@H](C)CCc4ccccc4)c(=O)c3c2CO)cc1 ZINC000263615535 568775962 /nfs/dbraw/zinc/77/59/62/568775962.db2.gz CWGALVNPVNMYNW-LJQANCHMSA-N 0 0 444.535 3.101 50 0 IGAARN COc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1S(=O)(=O)NC(C)C ZINC000025711260 568776369 /nfs/dbraw/zinc/77/63/69/568776369.db2.gz AFHJYGJDMDRWBK-LJQANCHMSA-N 0 0 433.574 3.478 50 0 IGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccc(Br)c4)c3CO2)cc1 ZINC000263616049 568776555 /nfs/dbraw/zinc/77/65/55/568776555.db2.gz GROGQFNHKVZJTN-SFHVURJKSA-N 0 0 443.301 3.251 50 0 IGAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1OC ZINC000263616713 568776791 /nfs/dbraw/zinc/77/67/91/568776791.db2.gz KEHKXJQLYSAZAH-SFHVURJKSA-N 0 0 449.555 3.158 50 0 IGAARN COc1ccc(-c2nn3ccn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)c3c2CO)cc1 ZINC000263618773 568777680 /nfs/dbraw/zinc/77/76/80/568777680.db2.gz VLDXRROAMRTXKK-UHFFFAOYSA-N 0 0 446.507 3.228 50 0 IGAARN O=C(NCc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263618610 568777697 /nfs/dbraw/zinc/77/76/97/568777697.db2.gz UPUPYVKCLOVIAR-DEOSSOPVSA-N 0 0 446.555 3.013 50 0 IGAARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3ncnn32)cc(OC)c1OC ZINC000001291754 568778535 /nfs/dbraw/zinc/77/85/35/568778535.db2.gz IJZVOHFSRSDHSK-LJQANCHMSA-N 0 0 428.489 3.469 50 0 IGAARN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc21 ZINC000001320756 568779900 /nfs/dbraw/zinc/77/99/00/568779900.db2.gz PZYUBZJZHQKBHV-UHFFFAOYSA-N 0 0 430.438 3.164 50 0 IGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171458 568782348 /nfs/dbraw/zinc/78/23/48/568782348.db2.gz WEAIATBNROELPU-QRVBRYPASA-N 0 0 426.314 3.293 50 0 IGAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000015470960 568784579 /nfs/dbraw/zinc/78/45/79/568784579.db2.gz ZECOFJCIFBQURR-UHFFFAOYSA-N 0 0 443.459 3.207 50 0 IGAARN COc1c(Br)cc(F)cc1NC(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000083915181 568785395 /nfs/dbraw/zinc/78/53/95/568785395.db2.gz DOBGXDRVXSSQED-HNNXBMFYSA-N 0 0 439.281 3.165 50 0 IGAARN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000084064781 568790775 /nfs/dbraw/zinc/79/07/75/568790775.db2.gz UUNWOYNXIRCSDO-UHFFFAOYSA-N 0 0 425.514 3.049 50 0 IGAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCCC[C@H]3CNC(N)=O)cc12 ZINC000084068012 568791193 /nfs/dbraw/zinc/79/11/93/568791193.db2.gz LRYIQHFXVYBNEI-INIZCTEOSA-N 0 0 429.521 3.257 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000016711801 568792138 /nfs/dbraw/zinc/79/21/38/568792138.db2.gz HOKUKZUSWOCUAL-XYSGSMRZSA-N 0 0 440.546 3.113 50 0 IGAARN COc1ccc([C@H]2N(C(=O)C(F)(F)F)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000001432777 568795347 /nfs/dbraw/zinc/79/53/47/568795347.db2.gz BTOFZYZRTLJXBT-KRWDZBQOSA-N 0 0 428.432 3.179 50 0 IGAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012752858 568795663 /nfs/dbraw/zinc/79/56/63/568795663.db2.gz DKDSTCPAJPLRQF-JOCHJYFZSA-N 0 0 436.439 3.210 50 0 IGAARN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000084200449 568796081 /nfs/dbraw/zinc/79/60/81/568796081.db2.gz QHFWPMSTBSYEOT-FPOVZHCZSA-N 0 0 441.572 3.286 50 0 IGAARN COC1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1 ZINC000084240778 568796594 /nfs/dbraw/zinc/79/65/94/568796594.db2.gz MGFNOFQKCFAUDV-NRFANRHFSA-N 0 0 442.560 3.005 50 0 IGAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@H](O)c1ccc(OC(F)F)cc1)CC2 ZINC000084286972 568796723 /nfs/dbraw/zinc/79/67/23/568796723.db2.gz ODHRYGFBMISWLP-WBMJQRKESA-N 0 0 445.388 3.360 50 0 IGAARN O=C(CCC(=O)NC1(c2cccc(Br)c2)CCOCC1)Nc1nccs1 ZINC000084363437 568797324 /nfs/dbraw/zinc/79/73/24/568797324.db2.gz SKTNKFLHDHDXRA-UHFFFAOYSA-N 0 0 438.347 3.446 50 0 IGAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN([C@H](CO)c2cccc(Cl)c2)CC1 ZINC000084367466 568797433 /nfs/dbraw/zinc/79/74/33/568797433.db2.gz BDAQGHAYQGXYGO-OAQYLSRUSA-N 0 0 428.895 3.361 50 0 IGAARN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3C[C@H](C)Oc4ccc(Cl)cc43)CC2)C1 ZINC000084697452 568800016 /nfs/dbraw/zinc/80/00/16/568800016.db2.gz KACIVGWRPDZXIE-IRXDYDNUSA-N 0 0 433.980 3.424 50 0 IGAARN COC(=O)c1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC(C)(C)C4)[C@@H](C)C2)cc1 ZINC000084715010 568800246 /nfs/dbraw/zinc/80/02/46/568800246.db2.gz DQJQYELSIOBOMX-INIZCTEOSA-N 0 0 437.540 3.027 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000015637945 568800677 /nfs/dbraw/zinc/80/06/77/568800677.db2.gz UONBAFMXERQEQY-UHFFFAOYSA-N 0 0 439.537 3.037 50 0 IGAARN CCOCCCNC(=O)C1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000084801288 568801460 /nfs/dbraw/zinc/80/14/60/568801460.db2.gz COXOYZGVKYEQEV-UHFFFAOYSA-N 0 0 448.589 3.244 50 0 IGAARN Cc1ccc2c(nc3sc(=Cc4ccc(-c5ccc6c(c5)C(=O)NC6=O)o4)c(=O)n32)c1C ZINC000001437166 568804369 /nfs/dbraw/zinc/80/43/69/568804369.db2.gz ZTRJVZBQQPVFOM-UHFFFAOYSA-N 0 0 441.468 3.217 50 0 IGAARN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2cccs2)CC1 ZINC000015680701 568806525 /nfs/dbraw/zinc/80/65/25/568806525.db2.gz RPXJCVRZXCDYQJ-UHFFFAOYSA-N 0 0 445.342 3.499 50 0 IGAARN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)n2)cc1OC ZINC000015726304 568812356 /nfs/dbraw/zinc/81/23/56/568812356.db2.gz QNFIPZSBEHIBSW-MRXNPFEDSA-N 0 0 428.533 3.224 50 0 IGAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)CC1 ZINC000015730368 568813844 /nfs/dbraw/zinc/81/38/44/568813844.db2.gz MMPNCDPCKZLVKY-OAHLLOKOSA-N 0 0 447.582 3.029 50 0 IGAARN Nc1nc(CSCC(=O)Nc2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 ZINC000019223918 568817210 /nfs/dbraw/zinc/81/72/10/568817210.db2.gz SLTPYKMAKFVUND-UHFFFAOYSA-N 0 0 438.513 3.231 50 0 IGAARN CN(Cc1cccnc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000085393429 568817273 /nfs/dbraw/zinc/81/72/73/568817273.db2.gz REAMPRIJAGENJK-UHFFFAOYSA-N 0 0 430.493 3.142 50 0 IGAARN C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O ZINC000001451314 568818612 /nfs/dbraw/zinc/81/86/12/568818612.db2.gz SORBHDMDROUWCS-UAAGNOOKSA-N 0 0 449.919 3.119 50 0 IGAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000012812403 568819053 /nfs/dbraw/zinc/81/90/53/568819053.db2.gz CWIAPGIYRLQDKI-UHFFFAOYSA-N 0 0 429.948 3.373 50 0 IGAARN COc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000015768784 568822175 /nfs/dbraw/zinc/82/21/75/568822175.db2.gz BEHCGVYCCGNNJB-OAHLLOKOSA-N 0 0 442.537 3.185 50 0 IGAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768664 568822176 /nfs/dbraw/zinc/82/21/76/568822176.db2.gz OUBILGIMTGOWAN-UHFFFAOYSA-N 0 0 442.537 3.187 50 0 IGAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)Nc1ccc(Cl)cn1 ZINC000015776421 568823821 /nfs/dbraw/zinc/82/38/21/568823821.db2.gz CGJXDHFARPYIHZ-UHFFFAOYSA-N 0 0 425.855 3.495 50 0 IGAARN COc1ccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(OC)c1 ZINC000085598014 568826016 /nfs/dbraw/zinc/82/60/16/568826016.db2.gz YWLZADQFOPHBMF-UHFFFAOYSA-N 0 0 435.546 3.322 50 0 IGAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NCc1cccc(OC)c1 ZINC000015781816 568826121 /nfs/dbraw/zinc/82/61/21/568826121.db2.gz SWFKMQPBDLUHOG-IBGZPJMESA-N 0 0 428.485 3.085 50 0 IGAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)CCc3ccccc3)n2n1 ZINC000015783918 568826545 /nfs/dbraw/zinc/82/65/45/568826545.db2.gz HTJSFBVOFBHTEF-UHFFFAOYSA-N 0 0 426.567 3.471 50 0 IGAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(F)cc1F ZINC000015783942 568826750 /nfs/dbraw/zinc/82/67/50/568826750.db2.gz FHQQDIOSBNFPJV-UHFFFAOYSA-N 0 0 438.456 3.396 50 0 IGAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ccccc2)CC1 ZINC000015785328 568829659 /nfs/dbraw/zinc/82/96/59/568829659.db2.gz AMEQKMDYUVOHPA-UHFFFAOYSA-N 0 0 428.330 3.077 50 0 IGAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc(F)cc1 ZINC000085645241 568829866 /nfs/dbraw/zinc/82/98/66/568829866.db2.gz BMODDRNTLSELFY-UHFFFAOYSA-N 0 0 445.520 3.164 50 0 IGAARN CSc1ncc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1-c1ccc(F)cc1 ZINC000026062603 568830598 /nfs/dbraw/zinc/83/05/98/568830598.db2.gz UAQHZLODWNWRMA-UHFFFAOYSA-N 0 0 446.529 3.426 50 0 IGAARN CCc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)cc1 ZINC000085651899 568831672 /nfs/dbraw/zinc/83/16/72/568831672.db2.gz CLRPHWMAZJEIQI-UHFFFAOYSA-N 0 0 445.566 3.049 50 0 IGAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(F)c1 ZINC000085653512 568832208 /nfs/dbraw/zinc/83/22/08/568832208.db2.gz JKPVQPCMHSSGBQ-UHFFFAOYSA-N 0 0 449.529 3.015 50 0 IGAARN O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 ZINC000019860190 568836816 /nfs/dbraw/zinc/83/68/16/568836816.db2.gz UCIAJQRSDHGGDS-FQEVSTJZSA-N 0 0 432.973 3.467 50 0 IGAARN O=C(CN1C(=O)N(c2ccc(F)cc2)S(=O)(=O)c2ccccc21)NCc1ccccc1 ZINC000015827398 568840899 /nfs/dbraw/zinc/84/08/99/568840899.db2.gz QLLNOTSTKVBJOI-UHFFFAOYSA-N 0 0 439.468 3.277 50 0 IGAARN CC[C@@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cccc(SC)c2)C1=O ZINC000015827283 568840956 /nfs/dbraw/zinc/84/09/56/568840956.db2.gz UAPWKWVQGIXVPM-CQSZACIVSA-N 0 0 433.555 3.459 50 0 IGAARN CCCSc1nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=S)s1 ZINC000012868098 568841649 /nfs/dbraw/zinc/84/16/49/568841649.db2.gz FBDMEPQYHZPZHD-UHFFFAOYSA-N 0 0 444.673 3.449 50 0 IGAARN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860832 568848057 /nfs/dbraw/zinc/84/80/57/568848057.db2.gz LPUVLALYYJARPA-INIZCTEOSA-N 0 0 446.573 3.275 50 0 IGAARN COC(=O)c1ccc2oc(=O)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000015862249 568848619 /nfs/dbraw/zinc/84/86/19/568848619.db2.gz KCMGUJIOQRDNNR-UHFFFAOYSA-N 0 0 441.505 3.223 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000015881852 568855707 /nfs/dbraw/zinc/85/57/07/568855707.db2.gz CLEKCAUPDGEVCW-UHFFFAOYSA-N 0 0 449.985 3.462 50 0 IGAARN O=C(CSc1nnc2ccc(-c3cccs3)nn21)N1CCN(c2ccccc2)CC1 ZINC000015881725 568856085 /nfs/dbraw/zinc/85/60/85/568856085.db2.gz WPZCODLRTFEFCK-UHFFFAOYSA-N 0 0 436.566 3.294 50 0 IGAARN COCCn1ccc2c(OCC(=O)Nc3ccc(Br)cc3)cccc2c1=O ZINC000015882455 568856493 /nfs/dbraw/zinc/85/64/93/568856493.db2.gz OYEGZIQVTKDTCI-UHFFFAOYSA-N 0 0 431.286 3.428 50 0 IGAARN CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4c(cccc4OC)s3)CC2)c1 ZINC000015882505 568857048 /nfs/dbraw/zinc/85/70/48/568857048.db2.gz PHOIEFYSHVREPP-UHFFFAOYSA-N 0 0 445.566 3.061 50 0 IGAARN NC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O ZINC000015882913 568857401 /nfs/dbraw/zinc/85/74/01/568857401.db2.gz ZHECCBZJHFSMHR-UHFFFAOYSA-N 0 0 426.270 3.010 50 0 IGAARN Cc1ccc(C)c(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000015883467 568857737 /nfs/dbraw/zinc/85/77/37/568857737.db2.gz NGQVGBQVUUZDKN-UHFFFAOYSA-N 0 0 426.542 3.103 50 0 IGAARN CCC(CC)[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)N1CCOCC1 ZINC000012937495 568867456 /nfs/dbraw/zinc/86/74/56/568867456.db2.gz IOZZWNAOGCEKAC-OAQYLSRUSA-N 0 0 428.577 3.297 50 0 IGAARN Cc1ccc(CN(CCc2ccccc2)Cn2nc(CCC(N)=O)n(C)c2=S)s1 ZINC000012942715 568870106 /nfs/dbraw/zinc/87/01/06/568870106.db2.gz KCBBLBCMKCKWPM-UHFFFAOYSA-N 0 0 429.615 3.441 50 0 IGAARN O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccccc2)n1)c1ccccc1 ZINC000006190213 568874688 /nfs/dbraw/zinc/87/46/88/568874688.db2.gz HATQCJZNIDGIKU-UHFFFAOYSA-N 0 0 435.534 3.335 50 0 IGAARN O=c1c(Cl)c(N2CCN(Cc3cccs3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000053517354 568876507 /nfs/dbraw/zinc/87/65/07/568876507.db2.gz ZDPKUCJBCJWGKP-UHFFFAOYSA-N 0 0 426.933 3.146 50 0 IGAARN CN(C)c1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)nc(N2CCCCC2)n1 ZINC000575607346 568878223 /nfs/dbraw/zinc/87/82/23/568878223.db2.gz MJGFYIRTMMXYOI-UHFFFAOYSA-N 0 0 444.539 3.482 50 0 IGAARN COc1cc(/C=C/C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc(OC)c1OC ZINC000575608401 568878406 /nfs/dbraw/zinc/87/84/06/568878406.db2.gz TUQJVUSUCHJUDL-BQYQJAHWSA-N 0 0 438.402 3.429 50 0 IGAARN COc1ccc(NC(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1OC ZINC000575614049 568879862 /nfs/dbraw/zinc/87/98/62/568879862.db2.gz VRAURFCBJWGERK-CQSZACIVSA-N 0 0 437.294 3.332 50 0 IGAARN O=C(Nc1ccc(Br)cc1)[C@H](Cc1c[nH]cn1)N1C(=O)c2ccccc2C1=O ZINC000035352489 568880461 /nfs/dbraw/zinc/88/04/61/568880461.db2.gz LFRYBMGTTCDSFA-KRWDZBQOSA-N 0 0 439.269 3.018 50 0 IGAARN CC(C)OCc1ccc(C(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)o1 ZINC000575614802 568881161 /nfs/dbraw/zinc/88/11/61/568881161.db2.gz IOMYMPGUTVSPSF-UHFFFAOYSA-N 0 0 433.530 3.010 50 0 IGAARN COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000009569132 568883953 /nfs/dbraw/zinc/88/39/53/568883953.db2.gz QDSJBZOTUMEZSF-UHFFFAOYSA-N 0 0 432.523 3.189 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCCOc1ccccc1 ZINC000011290997 568885605 /nfs/dbraw/zinc/88/56/05/568885605.db2.gz FYFDWFWVQFQMKW-UHFFFAOYSA-N 0 0 433.526 3.496 50 0 IGAARN CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000229369993 568886644 /nfs/dbraw/zinc/88/66/44/568886644.db2.gz ISFVIRXBOPZVPM-FPOVZHCZSA-N 0 0 436.556 3.099 50 0 IGAARN COc1cccc(N2C[C@@H](C(=O)N3CCC(CSc4ccccn4)CC3)CC2=O)c1 ZINC000090608047 568890783 /nfs/dbraw/zinc/89/07/83/568890783.db2.gz CGHWEXLNOGJEHP-SFHVURJKSA-N 0 0 425.554 3.474 50 0 IGAARN COC(=O)CN1CCCN(c2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c32)CC1 ZINC000012976802 568891181 /nfs/dbraw/zinc/89/11/81/568891181.db2.gz OKCBLBVMNVWOCH-UHFFFAOYSA-N 0 0 445.633 3.225 50 0 IGAARN COc1c(C)cnc(Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1C ZINC000090610244 568892160 /nfs/dbraw/zinc/89/21/60/568892160.db2.gz PAMDZGORKBJJKQ-UHFFFAOYSA-N 0 0 425.485 3.481 50 0 IGAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000035534728 568892682 /nfs/dbraw/zinc/89/26/82/568892682.db2.gz XKUVTJRDKBMCGX-UHFFFAOYSA-N 0 0 434.901 3.280 50 0 IGAARN O=C(CCN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccnn1C1CCCC1 ZINC000013003989 568898624 /nfs/dbraw/zinc/89/86/24/568898624.db2.gz QPQKPLJGWLBMRU-UHFFFAOYSA-N 0 0 429.952 3.438 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000013004423 568898887 /nfs/dbraw/zinc/89/88/87/568898887.db2.gz QLXMANZLVZABTE-UHFFFAOYSA-N 0 0 425.348 3.410 50 0 IGAARN Cc1nc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)nn1-c1ccc(F)cc1 ZINC000013009366 568899819 /nfs/dbraw/zinc/89/98/19/568899819.db2.gz UMGSGFGZANHYKC-UHFFFAOYSA-N 0 0 447.514 3.152 50 0 IGAARN C[C@@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCC(C)CC1 ZINC000013010728 568900062 /nfs/dbraw/zinc/90/00/62/568900062.db2.gz RCXUGYMXYMUVPA-QGZVFWFLSA-N 0 0 434.492 3.287 50 0 IGAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000013010807 568900113 /nfs/dbraw/zinc/90/01/13/568900113.db2.gz ZSAUVNFTTKRIMH-LBPRGKRZSA-N 0 0 425.373 3.377 50 0 IGAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013019186 568901989 /nfs/dbraw/zinc/90/19/89/568901989.db2.gz IMPDYIZPIZARHZ-UHFFFAOYSA-N 0 0 431.901 3.161 50 0 IGAARN COC(=O)c1cn(-c2ccc3c(c2)nc(C)n3CCc2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000253408616 568903159 /nfs/dbraw/zinc/90/31/59/568903159.db2.gz KXFMNTSSEUOAGC-UHFFFAOYSA-N 0 0 427.464 3.353 50 0 IGAARN Cc1c(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cccc1N1C(=O)N[C@H](C)C1=O ZINC000390832953 568909707 /nfs/dbraw/zinc/90/97/07/568909707.db2.gz DACABRCXJFPUKG-PIGZYNQJSA-N 0 0 434.855 3.087 50 0 IGAARN 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CCOc1ccc(CCNC(=O)CNC(=O)c2ccc(Br)cc2)cc1OCC ZINC000026798288 568917010 /nfs/dbraw/zinc/91/70/10/568917010.db2.gz XSMDWGJNJZXQDT-UHFFFAOYSA-N 0 0 449.345 3.335 50 0 IGAARN CCOc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917025 568922644 /nfs/dbraw/zinc/92/26/44/568922644.db2.gz DJESLDSJNJJCRA-LJQANCHMSA-N 0 0 438.480 3.278 50 0 IGAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)c2c1C ZINC000001971045 568924115 /nfs/dbraw/zinc/92/41/15/568924115.db2.gz KZRDEMVRKNEAOI-UHFFFAOYSA-N 0 0 435.889 3.244 50 0 IGAARN COc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000089453793 568925415 /nfs/dbraw/zinc/92/54/15/568925415.db2.gz WMXYRYTUODNZPX-UHFFFAOYSA-N 0 0 448.541 3.286 50 0 IGAARN COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)Nc2ccccc2SC(F)F)C1=O ZINC000089466905 568925987 /nfs/dbraw/zinc/92/59/87/568925987.db2.gz FCDHBYIXEOHNRD-OAQYLSRUSA-N 0 0 447.463 3.342 50 0 IGAARN Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 ZINC000064439275 568928199 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568944344 /nfs/dbraw/zinc/94/43/44/568944344.db2.gz UMYKLVSDHDARCT-OALUTQOASA-N 0 0 445.560 3.069 50 0 IGAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(F)c(F)c4)c(=O)n3n2)cc1 ZINC000064710141 568944639 /nfs/dbraw/zinc/94/46/39/568944639.db2.gz BAYQODHYILDWDH-UHFFFAOYSA-N 0 0 427.436 3.268 50 0 IGAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)C(C)C)c1 ZINC000036065556 568945328 /nfs/dbraw/zinc/94/53/28/568945328.db2.gz MIEDWEWXKVGBDR-OAQYLSRUSA-N 0 0 442.604 3.400 50 0 IGAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C(C)C ZINC000036069517 568945520 /nfs/dbraw/zinc/94/55/20/568945520.db2.gz OBHOJSZGYLHWMT-FQEVSTJZSA-N 0 0 437.588 3.384 50 0 IGAARN CCOC(=O)C1=C(COc2ccccc2OC)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036083713 568947391 /nfs/dbraw/zinc/94/73/91/568947391.db2.gz ZUSSKIRLLNRMSL-OAQYLSRUSA-N 0 0 426.469 3.296 50 0 IGAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2)c1=O ZINC000036086136 568948519 /nfs/dbraw/zinc/94/85/19/568948519.db2.gz 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CCC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036120770 568957470 /nfs/dbraw/zinc/95/74/70/568957470.db2.gz AQCVYPRAYXWMLF-LJQANCHMSA-N 0 0 434.533 3.277 50 0 IGAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036121579 568957788 /nfs/dbraw/zinc/95/77/88/568957788.db2.gz WYHSUJXFVYYIEP-PZJWPPBQSA-N 0 0 446.544 3.420 50 0 IGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)NCc2ccccc2C)c1C ZINC000064792295 568959219 /nfs/dbraw/zinc/95/92/19/568959219.db2.gz VXJFOFUFYOYAAZ-UHFFFAOYSA-N 0 0 429.524 3.444 50 0 IGAARN CCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036157675 568966233 /nfs/dbraw/zinc/96/62/33/568966233.db2.gz XVXCTYXFZGEVLG-NRFANRHFSA-N 0 0 425.504 3.003 50 0 IGAARN CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCC[C@H](C)C4)nn32)cc1 ZINC000064836928 568969609 /nfs/dbraw/zinc/96/96/09/568969609.db2.gz QLDVFDKMUMYKHW-AWEZNQCLSA-N 0 0 443.598 3.082 50 0 IGAARN CCOc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1 ZINC000064841751 568970433 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569481791 /nfs/dbraw/zinc/48/17/91/569481791.db2.gz BLYMFCSHRPFWAI-UHFFFAOYSA-N 0 0 444.551 3.001 50 0 IGAARN CCCn1ccnc1SCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000040012668 569482565 /nfs/dbraw/zinc/48/25/65/569482565.db2.gz COGANPGJDSUYRK-UHFFFAOYSA-N 0 0 448.614 3.149 50 0 IGAARN CC(C)Cn1nnnc1SCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000040013467 569482567 /nfs/dbraw/zinc/48/25/67/569482567.db2.gz LCQKEFOKZKMWTP-UHFFFAOYSA-N 0 0 445.570 3.487 50 0 IGAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000040023568 569482734 /nfs/dbraw/zinc/48/27/34/569482734.db2.gz YZFOIQAILZGRPV-UHFFFAOYSA-N 0 0 440.459 3.251 50 0 IGAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000040024687 569482736 /nfs/dbraw/zinc/48/27/36/569482736.db2.gz OWYVSSXDOAXCSH-UHFFFAOYSA-N 0 0 435.552 3.114 50 0 IGAARN NC(=O)c1ccc(C(F)(F)F)n(Cc2csc(COc3ccc(F)cc3)n2)c1=O ZINC000040042789 569483534 /nfs/dbraw/zinc/48/35/34/569483534.db2.gz VPSDPIMNDYNYCO-UHFFFAOYSA-N 0 0 427.379 3.189 50 0 IGAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008892975 569483604 /nfs/dbraw/zinc/48/36/04/569483604.db2.gz XQOZVRPNJBALIS-UHFFFAOYSA-N 0 0 430.537 3.256 50 0 IGAARN Cc1ccc(CN(C)C(=O)CSc2nnc(COc3ccccc3F)n2N)c(C)c1 ZINC000008898665 569483958 /nfs/dbraw/zinc/48/39/58/569483958.db2.gz WDXJPWDCCXNRAP-UHFFFAOYSA-N 0 0 429.521 3.078 50 0 IGAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000008900028 569484093 /nfs/dbraw/zinc/48/40/93/569484093.db2.gz VLKQRKCSRQFVOE-UHFFFAOYSA-N 0 0 432.542 3.040 50 0 IGAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000040050603 569484223 /nfs/dbraw/zinc/48/42/23/569484223.db2.gz NDVXWECCATVYDJ-HNNXBMFYSA-N 0 0 439.002 3.147 50 0 IGAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)Nc1ccc(F)c(F)c1F ZINC000008901075 569484252 /nfs/dbraw/zinc/48/42/52/569484252.db2.gz LLQKEVLWFMRVHM-AWEZNQCLSA-N 0 0 441.409 3.365 50 0 IGAARN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1coc(-c2ccc(F)cc2)n1 ZINC000040051604 569484460 /nfs/dbraw/zinc/48/44/60/569484460.db2.gz DFXRNESJJNZSLH-UHFFFAOYSA-N 0 0 440.399 3.171 50 0 IGAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccnc(N4CCCC4)c3)o2)cc1 ZINC000040052554 569484553 /nfs/dbraw/zinc/48/45/53/569484553.db2.gz LDFWUZVKHMLKTD-UHFFFAOYSA-N 0 0 425.514 3.149 50 0 IGAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C1 ZINC000040058366 569484657 /nfs/dbraw/zinc/48/46/57/569484657.db2.gz AVMQYHOBGYNPGI-QZTJIDSGSA-N 0 0 425.554 3.478 50 0 IGAARN O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000040059681 569484770 /nfs/dbraw/zinc/48/47/70/569484770.db2.gz CABDYRYGGLTJGO-XMMPIXPASA-N 0 0 441.531 3.429 50 0 IGAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)o1 ZINC000040059933 569484814 /nfs/dbraw/zinc/48/48/14/569484814.db2.gz DOPNGLMBIWHQFC-UHFFFAOYSA-N 0 0 441.937 3.418 50 0 IGAARN CCc1ccc2oc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008917639 569486049 /nfs/dbraw/zinc/48/60/49/569486049.db2.gz JCOHPCUYLGAMKR-HNNXBMFYSA-N 0 0 431.535 3.246 50 0 IGAARN COc1ccc2c(C)c(CCC(=O)N(CCN3CCOCC3)C3CCCC3)c(=O)oc2c1 ZINC000040074548 569486283 /nfs/dbraw/zinc/48/62/83/569486283.db2.gz AFICDTHJESAORX-UHFFFAOYSA-N 0 0 442.556 3.146 50 0 IGAARN COc1ccc(C2=NN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000008920390 569486468 /nfs/dbraw/zinc/48/64/68/569486468.db2.gz XVHWBIMNKGTGOG-IBGZPJMESA-N 0 0 435.480 3.285 50 0 IGAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008920548 569486525 /nfs/dbraw/zinc/48/65/25/569486525.db2.gz LFMIXFVXOIAGJJ-UHFFFAOYSA-N 0 0 431.418 3.491 50 0 IGAARN Cc1cc([C@H](C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)c(C)s1 ZINC000040080944 569486582 /nfs/dbraw/zinc/48/65/82/569486582.db2.gz POUPOPSCEUWMTQ-KXBFYZLASA-N 0 0 436.599 3.084 50 0 IGAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1nnnn1-c1ccccc1 ZINC000040089675 569487129 /nfs/dbraw/zinc/48/71/29/569487129.db2.gz WQFWZOQOOVQOMJ-HNNXBMFYSA-N 0 0 430.559 3.085 50 0 IGAARN O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000040094299 569487485 /nfs/dbraw/zinc/48/74/85/569487485.db2.gz VRAKHRABZDEBHX-UHFFFAOYSA-N 0 0 440.475 3.274 50 0 IGAARN COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040106114 569488371 /nfs/dbraw/zinc/48/83/71/569488371.db2.gz QQKYDMDHSHKPDJ-LBPRGKRZSA-N 0 0 425.890 3.062 50 0 IGAARN Cc1c(C(=O)NC2CCN(c3ncccn3)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000040108846 569488576 /nfs/dbraw/zinc/48/85/76/569488576.db2.gz RZKOIXVJNHVBCP-UHFFFAOYSA-N 0 0 430.434 3.388 50 0 IGAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000008943718 569488891 /nfs/dbraw/zinc/48/88/91/569488891.db2.gz FMBUGSYVXSZVBW-UHFFFAOYSA-N 0 0 446.484 3.208 50 0 IGAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000040113056 569489001 /nfs/dbraw/zinc/48/90/01/569489001.db2.gz IANOVNCNHSZFNZ-CMJOXMDJSA-N 0 0 425.916 3.171 50 0 IGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)CC2)cc1F ZINC000040113913 569489037 /nfs/dbraw/zinc/48/90/37/569489037.db2.gz 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COc1ccc(C(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c2ccc(OC)cc2)cc1 ZINC000040134007 569490527 /nfs/dbraw/zinc/49/05/27/569490527.db2.gz YHBRZELHDBQYEX-IBGZPJMESA-N 0 0 425.529 3.303 50 0 IGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3csc(C(C)(C)C)n3)CC1)C2=O ZINC000040139232 569490858 /nfs/dbraw/zinc/49/08/58/569490858.db2.gz AAXDCVAOEZOCMJ-KSFYIVLOSA-N 0 0 433.622 3.016 50 0 IGAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1)n1cccn1 ZINC000040142030 569491848 /nfs/dbraw/zinc/49/18/48/569491848.db2.gz JJDSMGGQOQUOHF-AWEZNQCLSA-N 0 0 439.907 3.379 50 0 IGAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000040144431 569492011 /nfs/dbraw/zinc/49/20/11/569492011.db2.gz JWEAOGQTFMFARK-UHFFFAOYSA-N 0 0 426.517 3.475 50 0 IGAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2)cc1 ZINC000040146806 569492350 /nfs/dbraw/zinc/49/23/50/569492350.db2.gz AXFVSUBSLCTUST-SFTDATJTSA-N 0 0 430.526 3.280 50 0 IGAARN Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040149818 569492652 /nfs/dbraw/zinc/49/26/52/569492652.db2.gz HMVCTVBEOVVQIM-UHFFFAOYSA-N 0 0 427.448 3.448 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000040149842 569492694 /nfs/dbraw/zinc/49/26/94/569492694.db2.gz KSRXIYFFNJTAKN-CQSZACIVSA-N 0 0 438.347 3.192 50 0 IGAARN C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)C1 ZINC000040150457 569493145 /nfs/dbraw/zinc/49/31/45/569493145.db2.gz DPDYOUROERKLIS-QGZVFWFLSA-N 0 0 430.526 3.044 50 0 IGAARN O=C(CCCc1nc2ccccc2s1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000040152717 569493482 /nfs/dbraw/zinc/49/34/82/569493482.db2.gz ULPWXOZAQRPDDH-UHFFFAOYSA-N 0 0 426.586 3.360 50 0 IGAARN CCOC(=O)N1CCC(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000040155107 569493838 /nfs/dbraw/zinc/49/38/38/569493838.db2.gz NWMAABLQPYHGFJ-UHFFFAOYSA-N 0 0 439.350 3.440 50 0 IGAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 ZINC000008988576 569494967 /nfs/dbraw/zinc/49/49/67/569494967.db2.gz VTRCQTSTKUKABQ-CQSZACIVSA-N 0 0 425.514 3.380 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3.443 50 0 IGAARN C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O ZINC000009791699 569568289 /nfs/dbraw/zinc/56/82/89/569568289.db2.gz JITQVHJKUZHUHV-OXJNMPFZSA-N 0 0 447.491 3.226 50 0 IGAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N([C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000009797847 569568492 /nfs/dbraw/zinc/56/84/92/569568492.db2.gz JVMWFXSUSRZBRP-DOTOQJQBSA-N 0 0 446.569 3.077 50 0 IGAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000009818091 569569343 /nfs/dbraw/zinc/56/93/43/569569343.db2.gz KMOHJGWADGUJTL-UHFFFAOYSA-N 0 0 428.485 3.240 50 0 IGAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1)c2=O)c1cc(Cl)ccc1Cl ZINC000009822385 569569506 /nfs/dbraw/zinc/56/95/06/569569506.db2.gz WBBHSGZEZUJMIS-UHFFFAOYSA-N 0 0 442.306 3.378 50 0 IGAARN O=C(CC1CCCCC1)NCCn1ncc2c1ncn(Cc1ccc(Cl)cc1)c2=O ZINC000009823144 569569555 /nfs/dbraw/zinc/56/95/55/569569555.db2.gz GSGZLWJKHCHFFZ-UHFFFAOYSA-N 0 0 427.936 3.381 50 0 IGAARN CC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ncc(-c3ccc(Cl)cc3)n2C)c1 ZINC000009828770 569569823 /nfs/dbraw/zinc/56/98/23/569569823.db2.gz NGAFPACMUDEDBR-UHFFFAOYSA-N 0 0 431.901 3.356 50 0 IGAARN COC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn32)cc1 ZINC000009829128 569569979 /nfs/dbraw/zinc/56/99/79/569569979.db2.gz MYGLHDPVOQMYIW-UHFFFAOYSA-N 0 0 437.456 3.448 50 0 IGAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc4ccccc42)c(=O)n3C)n1Cc1ccco1 ZINC000009829458 569570049 /nfs/dbraw/zinc/57/00/49/569570049.db2.gz MNKRNTRJBFIPAV-UHFFFAOYSA-N 0 0 439.475 3.301 50 0 IGAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009831737 569570217 /nfs/dbraw/zinc/57/02/17/569570217.db2.gz JQPHEBJJUFZPCC-KDOFPFPSSA-N 0 0 441.391 3.465 50 0 IGAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000009836431 569570747 /nfs/dbraw/zinc/57/07/47/569570747.db2.gz BCWGGXXNFDDVLO-UHFFFAOYSA-N 0 0 447.535 3.384 50 0 IGAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838190 569570829 /nfs/dbraw/zinc/57/08/29/569570829.db2.gz 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CN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000009867228 569572213 /nfs/dbraw/zinc/57/22/13/569572213.db2.gz QKGYVFDQWYNZFD-INIZCTEOSA-N 0 0 427.551 3.034 50 0 IGAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc2N1 ZINC000009867895 569572256 /nfs/dbraw/zinc/57/22/56/569572256.db2.gz FKXYPCXSKOPCID-UHFFFAOYSA-N 0 0 437.525 3.357 50 0 IGAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009867541 569572262 /nfs/dbraw/zinc/57/22/62/569572262.db2.gz WDCGQKYGPSQADS-UHFFFAOYSA-N 0 0 429.480 3.439 50 0 IGAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cccc(Cl)c1N(Cc1ccccc1)C2=O ZINC000009872381 569572417 /nfs/dbraw/zinc/57/24/17/569572417.db2.gz PCXJOXPCFAIBOK-FQEVSTJZSA-N 0 0 428.901 3.042 50 0 IGAARN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1 ZINC000009911271 569573243 /nfs/dbraw/zinc/57/32/43/569573243.db2.gz CUMCSBAMMHKKOJ-UHFFFAOYSA-N 0 0 438.347 3.296 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000009914510 569573389 /nfs/dbraw/zinc/57/33/89/569573389.db2.gz OIGIUUTXZCKQJY-UHFFFAOYSA-N 0 0 432.586 3.135 50 0 IGAARN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 ZINC000009939084 569573874 /nfs/dbraw/zinc/57/38/74/569573874.db2.gz XOLZQUGZRFWQQJ-UHFFFAOYSA-N 0 0 447.513 3.447 50 0 IGAARN CCCNC(=O)CSc1nc2ccsc2c(=O)n1CCc1ccc(OC)c(OC)c1 ZINC000009941038 569573953 /nfs/dbraw/zinc/57/39/53/569573953.db2.gz VXQGELSVUGQTSB-UHFFFAOYSA-N 0 0 447.582 3.336 50 0 IGAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000009952492 569574634 /nfs/dbraw/zinc/57/46/34/569574634.db2.gz YFLPRHJVDRNVPW-VQIMIIECSA-N 0 0 432.567 3.111 50 0 IGAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(OC)c1OC ZINC000009953488 569574697 /nfs/dbraw/zinc/57/46/97/569574697.db2.gz DHBMUUXTQOTELC-UHFFFAOYSA-N 0 0 448.541 3.448 50 0 IGAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3F)C3=C2C(=O)OC3)cc1 ZINC000071326843 569575007 /nfs/dbraw/zinc/57/50/07/569575007.db2.gz FBHZCVALWZVUAS-IBGZPJMESA-N 0 0 427.457 3.064 50 0 IGAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3Cl)c2C)c1 ZINC000071327381 569575250 /nfs/dbraw/zinc/57/52/50/569575250.db2.gz NIYVPEWURMFNLP-UHFFFAOYSA-N 0 0 429.864 3.148 50 0 IGAARN COc1cn(-c2ccccc2)nc1C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009960754 569575443 /nfs/dbraw/zinc/57/54/43/569575443.db2.gz BKJYWRDAHZUGMV-UHFFFAOYSA-N 0 0 436.493 3.186 50 0 IGAARN C[C@@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000009960860 569575486 /nfs/dbraw/zinc/57/54/86/569575486.db2.gz GMZZZUMCOCLKCX-QGZVFWFLSA-N 0 0 448.475 3.427 50 0 IGAARN CC(C)Cc1nnc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCSCC2)s1 ZINC000071328815 569575568 /nfs/dbraw/zinc/57/55/68/569575568.db2.gz XTXKGPFHJUGYAX-MRXNPFEDSA-N 0 0 433.603 3.045 50 0 IGAARN COC(=O)[C@@H](CCSC)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000071335463 569575821 /nfs/dbraw/zinc/57/58/21/569575821.db2.gz DOFUQMGOWLMGLE-QGZVFWFLSA-N 0 0 432.933 3.341 50 0 IGAARN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)nc2O)cc1 ZINC000009969909 569576093 /nfs/dbraw/zinc/57/60/93/569576093.db2.gz DAHSCNHTKZQQOA-UHFFFAOYSA-N 0 0 429.523 3.308 50 0 IGAARN Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccco3)c(=O)c2c1C ZINC000009970699 569576230 /nfs/dbraw/zinc/57/62/30/569576230.db2.gz XUTWCNJUIAFLOM-AWEZNQCLSA-N 0 0 433.555 3.103 50 0 IGAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009983310 569576624 /nfs/dbraw/zinc/57/66/24/569576624.db2.gz ZEIMMYMFFLVVGJ-IBGZPJMESA-N 0 0 443.569 3.083 50 0 IGAARN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000010065140 569577562 /nfs/dbraw/zinc/57/75/62/569577562.db2.gz NCUVENBGHRUALQ-HNNXBMFYSA-N 0 0 434.568 3.449 50 0 IGAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000010076790 569577630 /nfs/dbraw/zinc/57/76/30/569577630.db2.gz JGPYSKGCDQAKCK-UHFFFAOYSA-N 0 0 425.304 3.056 50 0 IGAARN Cc1c(C)n(-c2ccccc2OCc2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000010102956 569577850 /nfs/dbraw/zinc/57/78/50/569577850.db2.gz VPIVZJXZTVGJDZ-UHFFFAOYSA-N 0 0 443.507 3.180 50 0 IGAARN Cc1cn2c3c(nc2n1[C@H](C)c1ccccc1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000010103869 569577898 /nfs/dbraw/zinc/57/78/98/569577898.db2.gz YSLKNTSZJSEEIE-GOSISDBHSA-N 0 0 427.508 3.310 50 0 IGAARN COc1cc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc(OC)c1 ZINC000010131786 569578021 /nfs/dbraw/zinc/57/80/21/569578021.db2.gz OABXDJASVISZJY-UHFFFAOYSA-N 0 0 444.285 3.329 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)c1 ZINC000010166361 569578242 /nfs/dbraw/zinc/57/82/42/569578242.db2.gz YRXMWBHLEIHQBL-UHFFFAOYSA-N 0 0 447.491 3.174 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188142 569578804 /nfs/dbraw/zinc/57/88/04/569578804.db2.gz MLPSPSGZSKKDCX-UHFFFAOYSA-N 0 0 431.423 3.243 50 0 IGAARN Nn1c(=O)c2cc(Br)ccc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000071768769 569580806 /nfs/dbraw/zinc/58/08/06/569580806.db2.gz WXZYXFBYXHZQIX-UHFFFAOYSA-N 0 0 445.342 3.292 50 0 IGAARN CC(C)CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000010316727 569580873 /nfs/dbraw/zinc/58/08/73/569580873.db2.gz GPBRLMPZZAJAMN-UHFFFAOYSA-N 0 0 442.516 3.489 50 0 IGAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)NC[C@H]1CCCO1 ZINC000010316761 569580918 /nfs/dbraw/zinc/58/09/18/569580918.db2.gz JAFPYRGOZGVKTK-HUUCEWRRSA-N 0 0 427.501 3.301 50 0 IGAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337019 569581140 /nfs/dbraw/zinc/58/11/40/569581140.db2.gz DXIAYEKPUPWIRZ-FGZHOGPDSA-N 0 0 438.447 3.415 50 0 IGAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010337456 569581295 /nfs/dbraw/zinc/58/12/95/569581295.db2.gz VSAKYQICAMRZRN-UHFFFAOYSA-N 0 0 448.451 3.054 50 0 IGAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC ZINC000071850221 569582406 /nfs/dbraw/zinc/58/24/06/569582406.db2.gz ITDMKXDJXKDSPV-MRXNPFEDSA-N 0 0 438.571 3.015 50 0 IGAARN NC(=O)c1cccc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000071852388 569582530 /nfs/dbraw/zinc/58/25/30/569582530.db2.gz GSYZSOHAMJMCMR-DEOSSOPVSA-N 0 0 431.511 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CCc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041155293 524004195 /nfs/dbraw/zinc/00/41/95/524004195.db2.gz RBKRPRLFWYSXIG-IBGZPJMESA-N 0 0 439.537 3.490 50 0 IGAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2ccccc2SC[C@H]2CCCO2)c2ccccc2O1 ZINC000021677522 524013997 /nfs/dbraw/zinc/01/39/97/524013997.db2.gz GHXIGMKYMUCZFB-UZLBHIALSA-N 0 0 426.538 3.454 50 0 IGAARN CN(C)C(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2O1 ZINC000022281985 524017954 /nfs/dbraw/zinc/01/79/54/524017954.db2.gz OIXLZHAPBBYOAX-HXUWFJFHSA-N 0 0 441.434 3.435 50 0 IGAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCCCOC)nc23)cc1 ZINC000020516432 524018416 /nfs/dbraw/zinc/01/84/16/524018416.db2.gz RIOVEEIJMAIHQH-UHFFFAOYSA-N 0 0 431.543 3.183 50 0 IGAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004123 524023326 /nfs/dbraw/zinc/02/33/26/524023326.db2.gz SQWSPVPTWVIXBU-APWZRJJASA-N 0 0 442.512 3.319 50 0 IGAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccc(C)cc3Cl)S2(=O)=O)cc1 ZINC000021629392 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COc1ccc(Cc2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1OC ZINC000020735393 524166649 /nfs/dbraw/zinc/16/66/49/524166649.db2.gz DZBITPDVRZFELF-UHFFFAOYSA-N 0 0 426.454 3.102 50 0 IGAARN COc1cccc([C@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCN(CCO)CC2)c1 ZINC000022030885 524167919 /nfs/dbraw/zinc/16/79/19/524167919.db2.gz DXGMANWVZFMNCK-HSZRJFAPSA-N 0 0 443.613 3.293 50 0 IGAARN Cc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1 ZINC000021093498 524172186 /nfs/dbraw/zinc/17/21/86/524172186.db2.gz KEWUDQLNTIVUPT-UHFFFAOYSA-N 0 0 426.314 3.309 50 0 IGAARN Cc1ccc(C)c(OCCOC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c1 ZINC000012876763 524176318 /nfs/dbraw/zinc/17/63/18/524176318.db2.gz YJIOMPWBHYHDPZ-RUZDIDTESA-N 0 0 434.492 3.367 50 0 IGAARN COc1cccc([C@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054376 524179701 /nfs/dbraw/zinc/17/97/01/524179701.db2.gz UFTIPRSUJNFSMV-UXHICEINSA-N 0 0 428.504 3.357 50 0 IGAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)c(C)o1 ZINC000042379221 524189459 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O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000009010424 556240599 /nfs/dbraw/zinc/24/05/99/556240599.db2.gz HWRGKIIREFZPTF-CQSZACIVSA-N 0 0 428.341 3.106 50 0 IGAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2=O)c1 ZINC000009095617 556246723 /nfs/dbraw/zinc/24/67/23/556246723.db2.gz LTHUGCCOMZABLV-GFCCVEGCSA-N 0 0 434.876 3.366 50 0 IGAARN COc1ccccc1-c1nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n[nH]1 ZINC000009184273 556250166 /nfs/dbraw/zinc/25/01/66/556250166.db2.gz JPEXLCBOUZBRRS-UHFFFAOYSA-N 0 0 438.513 3.156 50 0 IGAARN COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009191044 556253481 /nfs/dbraw/zinc/25/34/81/556253481.db2.gz VTUUVOKJFLSLQH-IBGZPJMESA-N 0 0 435.524 3.234 50 0 IGAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N[C@H](C)CC)cc3)CC2=O)cc1 ZINC000009191111 556253492 /nfs/dbraw/zinc/25/34/92/556253492.db2.gz MYTDUPLGEPDUPF-AEFFLSMTSA-N 0 0 443.569 3.317 50 0 IGAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009197382 556255699 /nfs/dbraw/zinc/25/56/99/556255699.db2.gz RJVAJCCYAOSORA-RTBURBONSA-N 0 0 425.514 3.256 50 0 IGAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009238915 556265282 /nfs/dbraw/zinc/26/52/82/556265282.db2.gz NWSQVSNRNAHLCU-MOPGFXCFSA-N 0 0 425.514 3.392 50 0 IGAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cn(CC(N)=O)c4ccccc34)C2=O)c1 ZINC000009260013 556268028 /nfs/dbraw/zinc/26/80/28/556268028.db2.gz KAGIAVLBJHHVCY-VXLYETTFSA-N 0 0 448.504 3.110 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1 ZINC000009341771 556283337 /nfs/dbraw/zinc/28/33/37/556283337.db2.gz YAVRCXLWMLMNQU-QGZVFWFLSA-N 0 0 449.960 3.016 50 0 IGAARN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711428 556284154 /nfs/dbraw/zinc/28/41/54/556284154.db2.gz MFKKEGBQIYDQRN-HXUWFJFHSA-N 0 0 429.542 3.106 50 0 IGAARN CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000009353295 556284414 /nfs/dbraw/zinc/28/44/14/556284414.db2.gz IJYFOELRQWCIJO-QGZVFWFLSA-N 0 0 428.466 3.284 50 0 IGAARN Cc1cccc(Cn2c(NCCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009356363 556285035 /nfs/dbraw/zinc/28/50/35/556285035.db2.gz PVWOUZQZMOBGBO-UHFFFAOYSA-N 0 0 437.931 3.098 50 0 IGAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000009358633 556285314 /nfs/dbraw/zinc/28/53/14/556285314.db2.gz RZFNULRJHSROCF-UHFFFAOYSA-N 0 0 440.481 3.109 50 0 IGAARN CC(C)(C)OC(=O)N[C@@H](C[C@@H]([NH3+])C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000087493297 556289642 /nfs/dbraw/zinc/28/96/42/556289642.db2.gz LOORPDPTUOMYOZ-UXHICEINSA-N 0 0 440.496 3.037 50 0 IGAARN COc1ccccc1-c1coc2c(ccc3c2CN(CCCN2CCOCC2)CO3)c1=O ZINC000013720965 556289956 /nfs/dbraw/zinc/28/99/56/556289956.db2.gz UDNYJXKGLXJKLD-UHFFFAOYSA-N 0 0 436.508 3.343 50 0 IGAARN CCOC(=O)c1ccc(Nc2nn3c(nc4cc(OC)c(OC)cc4c3=O)s2)cc1 ZINC000009482229 556293796 /nfs/dbraw/zinc/29/37/96/556293796.db2.gz WIIQWXRFXNOEOD-UHFFFAOYSA-N 0 0 426.454 3.242 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000009525870 556296384 /nfs/dbraw/zinc/29/63/84/556296384.db2.gz YNDZDPLWLZDULR-SFHVURJKSA-N 0 0 438.480 3.015 50 0 IGAARN Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000013733640 556296779 /nfs/dbraw/zinc/29/67/79/556296779.db2.gz LNKIYIOZSJVHHH-IBGZPJMESA-N 0 0 442.903 3.039 50 0 IGAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCCNC(=O)[C@@H]2CCCO2)n3C)cc1 ZINC000013735401 556297454 /nfs/dbraw/zinc/29/74/54/556297454.db2.gz YDWCBGRLZUNZGW-NRFANRHFSA-N 0 0 436.512 3.062 50 0 IGAARN Cc1cc(C)n(CCCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000032739234 556299760 /nfs/dbraw/zinc/29/97/60/556299760.db2.gz MITLYITULNPPAD-UHFFFAOYSA-N 0 0 447.377 3.321 50 0 IGAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)CS2 ZINC000032744757 556304863 /nfs/dbraw/zinc/30/48/63/556304863.db2.gz PWZUZRHCJNTPPB-KSSFIOAISA-N 0 0 435.347 3.086 50 0 IGAARN CCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2C)c1=O)CCN(C(C)=O)C3 ZINC000009830572 556311422 /nfs/dbraw/zinc/31/14/22/556311422.db2.gz COOKCRRMYFTMMT-UHFFFAOYSA-N 0 0 431.945 3.490 50 0 IGAARN CC(C)CCn1c(=O)c2cccnc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000009831044 556312342 /nfs/dbraw/zinc/31/23/42/556312342.db2.gz UDKRHCXWMCTMSS-UHFFFAOYSA-N 0 0 445.317 3.006 50 0 IGAARN CCCCn1c(CN(C)Cc2ccc(OC)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000032751481 556313055 /nfs/dbraw/zinc/31/30/55/556313055.db2.gz SWJHUQYZJWZQKY-UHFFFAOYSA-N 0 0 434.537 3.264 50 0 IGAARN COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013816314 556314374 /nfs/dbraw/zinc/31/43/74/556314374.db2.gz JXKINRIAYBGPJA-UHFFFAOYSA-N 0 0 440.496 3.151 50 0 IGAARN COc1ccc([C@H](C)NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1F ZINC000032745006 556314420 /nfs/dbraw/zinc/31/44/20/556314420.db2.gz WLKCLNOVYDEETH-SCLBCKFNSA-N 0 0 430.501 3.429 50 0 IGAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(C(C)(C)C)cc1 ZINC000032759301 556319150 /nfs/dbraw/zinc/31/91/50/556319150.db2.gz KGFZCEGSHJXRCY-LJQANCHMSA-N 0 0 429.542 3.190 50 0 IGAARN C[S@@](=O)c1ccccc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032760944 556322202 /nfs/dbraw/zinc/32/22/02/556322202.db2.gz JXMOYBRZNBSJFC-MHZLTWQESA-N 0 0 425.337 3.329 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000032755283 556324729 /nfs/dbraw/zinc/32/47/29/556324729.db2.gz PGIXAGKTYUXIOM-INIZCTEOSA-N 0 0 449.598 3.270 50 0 IGAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000010156749 556326852 /nfs/dbraw/zinc/32/68/52/556326852.db2.gz WDOKFNXCXZGFOQ-UHFFFAOYSA-N 0 0 435.867 3.453 50 0 IGAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1OC ZINC000010297130 556330142 /nfs/dbraw/zinc/33/01/42/556330142.db2.gz PQNFSYWBBXEBFL-SFHVURJKSA-N 0 0 437.847 3.201 50 0 IGAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000032777510 556330525 /nfs/dbraw/zinc/33/05/25/556330525.db2.gz CHTUJKDCSGMLLV-CQSZACIVSA-N 0 0 436.343 3.487 50 0 IGAARN COc1ccc(N(CCC(=O)Nc2ccn(C)n2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000032778114 556331268 /nfs/dbraw/zinc/33/12/68/556331268.db2.gz SOTKPFOULKUXFP-UHFFFAOYSA-N 0 0 442.541 3.270 50 0 IGAARN CS(=O)(=O)N1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000032771053 556334851 /nfs/dbraw/zinc/33/48/51/556334851.db2.gz QEYUVQBOVXCFIF-UHFFFAOYSA-N 0 0 425.510 3.162 50 0 IGAARN COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 ZINC000010543843 556336577 /nfs/dbraw/zinc/33/65/77/556336577.db2.gz HGTLLOKOKKSBMC-UHFFFAOYSA-N 0 0 432.542 3.197 50 0 IGAARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2ON(C)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000229886062 556339909 /nfs/dbraw/zinc/33/99/09/556339909.db2.gz YOBHRCYOLKLIKZ-ZNMIVQPWSA-N 0 0 440.809 3.077 50 0 IGAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O ZINC000022919488 556339958 /nfs/dbraw/zinc/33/99/58/556339958.db2.gz LZONMJCIIDAGDC-XMMPIXPASA-N 0 0 434.565 3.444 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c(OC)c1 ZINC000013944810 556342375 /nfs/dbraw/zinc/34/23/75/556342375.db2.gz FGPFFEKKLULIBK-HNNXBMFYSA-N 0 0 425.460 3.354 50 0 IGAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000011699225 556346947 /nfs/dbraw/zinc/34/69/47/556346947.db2.gz BOKNBWYHIVHFHC-QHCPKHFHSA-N 0 0 448.567 3.224 50 0 IGAARN O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032789093 556350617 /nfs/dbraw/zinc/35/06/17/556350617.db2.gz IXRYHSRUXBLVHZ-DYVFJYSZSA-N 0 0 432.402 3.294 50 0 IGAARN COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4cccnc4)c3C)nc1-2 ZINC000011783677 556352090 /nfs/dbraw/zinc/35/20/90/556352090.db2.gz HZUGFDRNTAZCHG-UHFFFAOYSA-N 0 0 426.480 3.070 50 0 IGAARN CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000011812751 556356374 /nfs/dbraw/zinc/35/63/74/556356374.db2.gz RUQRXOHAZDDRRH-QHCPKHFHSA-N 0 0 437.540 3.406 50 0 IGAARN COCc1c(C(=O)NCc2ccccc2)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000011814460 556358014 /nfs/dbraw/zinc/35/80/14/556358014.db2.gz FJIIGCYXWRSMOV-UHFFFAOYSA-N 0 0 429.480 3.414 50 0 IGAARN CCCc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc5ccccn54)CC3)CC2=O)cc1 ZINC000032795850 556358240 /nfs/dbraw/zinc/35/82/40/556358240.db2.gz GCRLYDJIVAGJIB-HXUWFJFHSA-N 0 0 431.540 3.441 50 0 IGAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)c1 ZINC000011843467 556366644 /nfs/dbraw/zinc/36/66/44/556366644.db2.gz FTHUNERPBAZVQC-GOSISDBHSA-N 0 0 438.572 3.256 50 0 IGAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cn1ncn(-c2ccccc2)c1=S ZINC000032803776 556367766 /nfs/dbraw/zinc/36/77/66/556367766.db2.gz OILGNPNOOPXSOZ-UHFFFAOYSA-N 0 0 429.571 3.064 50 0 IGAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000011879552 556371662 /nfs/dbraw/zinc/37/16/62/556371662.db2.gz LHDCAKPYGWXWKT-XMMPIXPASA-N 0 0 437.471 3.090 50 0 IGAARN Cc1nonc1CNC(=O)[C@@H]1C[C@H](Sc2ccccn2)CN1Cc1cc(C)ccc1C ZINC000011912636 556375507 /nfs/dbraw/zinc/37/55/07/556375507.db2.gz ALALEFYRSJVOGR-FPOVZHCZSA-N 0 0 437.569 3.441 50 0 IGAARN CC(C)CNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)C1 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ZINC000012004214 556680276 /nfs/dbraw/zinc/68/02/76/556680276.db2.gz RYLDMEFYKCRETP-UHFFFAOYSA-N 0 0 449.916 3.253 50 0 IGAARN CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000012007203 556680605 /nfs/dbraw/zinc/68/06/05/556680605.db2.gz RAAKZIFQGWJHQT-UHFFFAOYSA-N 0 0 433.424 3.149 50 0 IGAARN COc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1OC ZINC000012008149 556680651 /nfs/dbraw/zinc/68/06/51/556680651.db2.gz XYMZMICMBOZGSY-UHFFFAOYSA-N 0 0 435.440 3.102 50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012006471 556680708 /nfs/dbraw/zinc/68/07/08/556680708.db2.gz DLWWNEXCYVPBAN-UHFFFAOYSA-N 0 0 442.435 3.135 50 0 IGAARN C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010623539 556681578 /nfs/dbraw/zinc/68/15/78/556681578.db2.gz TUHRTNDAGTTWCU-GOSISDBHSA-N 0 0 444.553 3.364 50 0 IGAARN COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000018116513 556684084 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/nfs/dbraw/zinc/73/31/63/556733163.db2.gz MZDBROMDFDTEJI-UHFFFAOYSA-N 0 0 427.472 3.311 50 0 IGAARN CCCS(=O)(=O)NC1CCN(Cn2ncc3c2cccc3OCc2ccccc2)CC1 ZINC000078876042 556735987 /nfs/dbraw/zinc/73/59/87/556735987.db2.gz MEJQVPAVCZQTRH-UHFFFAOYSA-N 0 0 442.585 3.367 50 0 IGAARN Cc1nc2sccn2c1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055166232 556736422 /nfs/dbraw/zinc/73/64/22/556736422.db2.gz HNHFVSUKGVDYHR-KRWDZBQOSA-N 0 0 427.549 3.270 50 0 IGAARN COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000055308814 556739630 /nfs/dbraw/zinc/73/96/30/556739630.db2.gz CKISHJRMPJXBMA-JOCHJYFZSA-N 0 0 425.504 3.039 50 0 IGAARN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1C2CC3CC(C2)CC1C3 ZINC000055370943 556740798 /nfs/dbraw/zinc/74/07/98/556740798.db2.gz GIQRSNCXRMAHGO-ZTIVUGHTSA-N 0 0 433.955 3.111 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)CN1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000033045539 556742552 /nfs/dbraw/zinc/74/25/52/556742552.db2.gz AVPRWFPOSPXEEE-UHFFFAOYSA-N 0 0 428.341 3.303 50 0 IGAARN COC(=O)c1cc(CNS(=O)(=O)c2ccc(Br)cc2Cl)ccc1OC ZINC000033047659 556743127 /nfs/dbraw/zinc/74/31/27/556743127.db2.gz YVZAWONHQHGXAV-UHFFFAOYSA-N 0 0 448.722 3.376 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)c1ccc(F)cc1)n2C ZINC000033048092 556743549 /nfs/dbraw/zinc/74/35/49/556743549.db2.gz TXVVAJLJDHJLMZ-UHFFFAOYSA-N 0 0 432.521 3.015 50 0 IGAARN CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000013809645 556743715 /nfs/dbraw/zinc/74/37/15/556743715.db2.gz FVGDCOCZDQMPNF-MRXNPFEDSA-N 0 0 439.940 3.189 50 0 IGAARN Cc1nnc2sc(-c3ccc(CNC(=O)S(=O)(=O)c4ccc(C)cc4C)cc3)nn12 ZINC000057351152 556747540 /nfs/dbraw/zinc/74/75/40/556747540.db2.gz CRDNWSIARBJRTE-UHFFFAOYSA-N 0 0 441.538 3.462 50 0 IGAARN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)c1nc2ccccc2[nH]1 ZINC000206242083 556749534 /nfs/dbraw/zinc/74/95/34/556749534.db2.gz CGDOKFAPPCBMNJ-RNODOKPDSA-N 0 0 434.475 3.445 50 0 IGAARN CCOC(=O)c1c(C)oc2ncn(Cc3nn(-c4ccc(F)cc4)c4c3CCC4)c(=O)c21 ZINC000057995781 556751616 /nfs/dbraw/zinc/75/16/16/556751616.db2.gz LGZGXFMFARIQBL-UHFFFAOYSA-N 0 0 436.443 3.336 50 0 IGAARN NC(=O)N[C@H](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000058006750 556752768 /nfs/dbraw/zinc/75/27/68/556752768.db2.gz FDPKZBIBPLFVMM-OAHLLOKOSA-N 0 0 426.464 3.215 50 0 IGAARN CCS(=O)(=O)N(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC000058014528 556753717 /nfs/dbraw/zinc/75/37/17/556753717.db2.gz XEOJWEZXAZYJRH-UHFFFAOYSA-N 0 0 448.925 3.010 50 0 IGAARN COc1cccc(C[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n2nnnc2C)c1 ZINC000058044927 556754973 /nfs/dbraw/zinc/75/49/73/556754973.db2.gz VIBHAPMZGBDRBD-PGRDOPGGSA-N 0 0 445.527 3.056 50 0 IGAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000058082841 556757190 /nfs/dbraw/zinc/75/71/90/556757190.db2.gz MEIYLSDECMPZCV-PQLNIDLTSA-N 0 0 425.577 3.001 50 0 IGAARN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000058088270 556757292 /nfs/dbraw/zinc/75/72/92/556757292.db2.gz 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Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 ZINC000058224251 556773451 /nfs/dbraw/zinc/77/34/51/556773451.db2.gz PKMVYFQQPSEGRH-CQSZACIVSA-N 0 0 433.438 3.490 50 0 IGAARN CCc1cccc2c1N(S(=O)(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000058283517 556777494 /nfs/dbraw/zinc/77/74/94/556777494.db2.gz IXDYCDQVOGELOB-UHFFFAOYSA-N 0 0 434.583 3.175 50 0 IGAARN Cc1sc(=O)n(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1-c1ccc(F)cc1 ZINC000058292335 556777822 /nfs/dbraw/zinc/77/78/22/556777822.db2.gz MMXQDJFPMLXJDU-AWEZNQCLSA-N 0 0 437.500 3.482 50 0 IGAARN Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)n1C ZINC000058292721 556778038 /nfs/dbraw/zinc/77/80/38/556778038.db2.gz NWWDBFSHMDKXHW-MRXNPFEDSA-N 0 0 426.420 3.090 50 0 IGAARN COC(=O)[C@@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000058304971 556778586 /nfs/dbraw/zinc/77/85/86/556778586.db2.gz MNYUTEBTNGTTGX-MRXNPFEDSA-N 0 0 426.698 3.282 50 0 IGAARN CC(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000058304507 556778612 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Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000024985467 557186113 /nfs/dbraw/zinc/18/61/13/557186113.db2.gz ITLFAYKVSJHIGD-UHFFFAOYSA-N 0 0 439.497 3.038 50 0 IGAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000069930218 557190585 /nfs/dbraw/zinc/19/05/85/557190585.db2.gz ULWOGAMSBGWUEI-SFHVURJKSA-N 0 0 447.626 3.108 50 0 IGAARN CC1CCN(Cc2nc3sc4c(c3c(N3CCC[C@H]3C(=O)N(C)C)n2)CCC4)CC1 ZINC000025062194 557193304 /nfs/dbraw/zinc/19/33/04/557193304.db2.gz VLNDKPPDVMFUAB-KRWDZBQOSA-N 0 0 427.618 3.469 50 0 IGAARN COC(=O)c1cc(CNS(=O)(=O)Cc2ccc(Br)cc2F)ccc1OC ZINC000072232407 557194571 /nfs/dbraw/zinc/19/45/71/557194571.db2.gz OOTDDJWUEOQBQM-UHFFFAOYSA-N 0 0 446.294 3.003 50 0 IGAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cc(F)ccc2F)n1C ZINC000009950173 557194782 /nfs/dbraw/zinc/19/47/82/557194782.db2.gz UJKUYNPDQBQJRU-NSHDSACASA-N 0 0 449.458 3.454 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000025115848 557195875 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O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCCN1CCOCC1 ZINC000003047223 562932173 /nfs/dbraw/zinc/93/21/73/562932173.db2.gz GIHXXVVOLLEACT-XLNRJJMWSA-N 0 0 437.565 3.005 50 0 IGAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003236823 562933175 /nfs/dbraw/zinc/93/31/75/562933175.db2.gz MBRJJSJXUXHXNC-UHFFFAOYSA-N 0 0 448.475 3.000 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 ZINC000003296992 562933904 /nfs/dbraw/zinc/93/39/04/562933904.db2.gz YZWNYUCVIQNKNZ-FQEVSTJZSA-N 0 0 426.494 3.056 50 0 IGAARN CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003327500 562934312 /nfs/dbraw/zinc/93/43/12/562934312.db2.gz XVTQBHHEWQRNIK-UHFFFAOYSA-N 0 0 433.302 3.164 50 0 aggregator IGAARN C[C@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003333591 562934385 /nfs/dbraw/zinc/93/43/85/562934385.db2.gz TUZWQJMFVZGGIB-ZDUSSCGKSA-N 0 0 427.457 3.249 50 0 aggregator IGAARN COc1cccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000003338519 562934461 /nfs/dbraw/zinc/93/44/61/562934461.db2.gz LHQFHDPPBZLQDB-UHFFFAOYSA-N 0 0 446.569 3.072 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2OC(F)F)c1 ZINC000003410169 562935342 /nfs/dbraw/zinc/93/53/42/562935342.db2.gz JVQQIBKYOLGZCY-UHFFFAOYSA-N 0 0 439.484 3.391 50 0 IGAARN CC(C)N(C(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)C(C)C ZINC000003439974 562935894 /nfs/dbraw/zinc/93/58/94/562935894.db2.gz DNLFXQMJLAIUNF-UHFFFAOYSA-N 0 0 444.605 3.302 50 0 IGAARN CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1-c1ccc(C)cc1 ZINC000003513077 562936348 /nfs/dbraw/zinc/93/63/48/562936348.db2.gz GROXOIPUBSRSOA-UHFFFAOYSA-N 0 0 431.543 3.463 50 0 IGAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000006530831 562947185 /nfs/dbraw/zinc/94/71/85/562947185.db2.gz MIKJYSUXJDOGDD-UHFFFAOYSA-N 0 0 432.546 3.427 50 0 IGAARN Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000006577473 562947692 /nfs/dbraw/zinc/94/76/92/562947692.db2.gz HJEHWLYLNUPOIV-UHFFFAOYSA-N 0 0 429.502 3.110 50 0 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3.241 50 0 IGAARN O=C(COc1ccc(F)cc1)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 ZINC000008603675 562956047 /nfs/dbraw/zinc/95/60/47/562956047.db2.gz BJOGTAJKBRJROK-UHFFFAOYSA-N 0 0 425.441 3.492 50 0 IGAARN COc1cccc(CNC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)c1 ZINC000008605525 562956751 /nfs/dbraw/zinc/95/67/51/562956751.db2.gz QXEOHMOBRIDPIY-UHFFFAOYSA-N 0 0 434.544 3.137 50 0 IGAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 ZINC000008614867 562959632 /nfs/dbraw/zinc/95/96/32/562959632.db2.gz RRLKSRYMBKFWOD-UHFFFAOYSA-N 0 0 434.521 3.109 50 0 IGAARN COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000008619244 562959901 /nfs/dbraw/zinc/95/99/01/562959901.db2.gz OAWAVKASEAYVQK-UHFFFAOYSA-N 0 0 430.482 3.417 50 0 IGAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000008658458 562960261 /nfs/dbraw/zinc/96/02/61/562960261.db2.gz WSIJSZVLGHLSJM-UHFFFAOYSA-N 0 0 435.546 3.235 50 0 IGAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C1 ZINC000008670009 562960674 /nfs/dbraw/zinc/96/06/74/562960674.db2.gz NEHDALUXVPLPJH-IRXDYDNUSA-N 0 0 436.508 3.264 50 0 IGAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008671126 562960799 /nfs/dbraw/zinc/96/07/99/562960799.db2.gz MVXXWTAZLXFVHS-CQSZACIVSA-N 0 0 446.554 3.129 50 0 IGAARN COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)c1 ZINC000008671299 562960858 /nfs/dbraw/zinc/96/08/58/562960858.db2.gz GCTTWYAGMHOUCP-QHAWAJNXSA-N 0 0 439.487 3.115 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1C ZINC000008673281 562961158 /nfs/dbraw/zinc/96/11/58/562961158.db2.gz HAVSUIJFYHHUJC-UHFFFAOYSA-N 0 0 441.937 3.029 50 0 IGAARN COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCc3ccccn3)s2)CC1=O ZINC000008685269 562962373 /nfs/dbraw/zinc/96/23/73/562962373.db2.gz ICQRDOHGTBOUQR-ZDUSSCGKSA-N 0 0 441.538 3.226 50 0 IGAARN COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000008693831 562963690 /nfs/dbraw/zinc/96/36/90/562963690.db2.gz HFEMNXBPKYRZJR-UHFFFAOYSA-N 0 0 432.542 3.450 50 0 IGAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)cc1C ZINC000008909016 562965927 /nfs/dbraw/zinc/96/59/27/562965927.db2.gz MHOZZHIWQMQGMA-CQSZACIVSA-N 0 0 448.570 3.002 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000009283391 562968843 /nfs/dbraw/zinc/96/88/43/562968843.db2.gz SHDNJPPWYAPOBM-UHFFFAOYSA-N 0 0 445.541 3.105 50 0 IGAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)CC)[C@H](c3cccs3)C2)cc1 ZINC000009380863 562969689 /nfs/dbraw/zinc/96/96/89/562969689.db2.gz RBAZFRPDHIPUDD-INIZCTEOSA-N 0 0 427.573 3.011 50 0 IGAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 ZINC000009430796 562970699 /nfs/dbraw/zinc/97/06/99/562970699.db2.gz JBRXUPHPRFXGRR-SFHVURJKSA-N 0 0 439.537 3.184 50 0 IGAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009462133 562971448 /nfs/dbraw/zinc/97/14/48/562971448.db2.gz FUCDRXGYHGKYTD-SFHVURJKSA-N 0 0 440.503 3.478 50 0 IGAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)C(C)(C)C)N2N=Cc4ccccc4[C@H]32)cc1 ZINC000009462322 562971464 /nfs/dbraw/zinc/97/14/64/562971464.db2.gz GHOPNAUAURHUAH-PLACYPQZSA-N 0 0 431.492 3.189 50 0 IGAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009463517 562971543 /nfs/dbraw/zinc/97/15/43/562971543.db2.gz ACIJJUBPBLBXBP-UHFFFAOYSA-N 0 0 443.569 3.340 50 0 IGAARN Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000009507481 562972495 /nfs/dbraw/zinc/97/24/95/562972495.db2.gz AJVJHYPUHOFPEB-UHFFFAOYSA-N 0 0 432.980 3.015 50 0 IGAARN O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccccc1Cl ZINC000009518595 562972806 /nfs/dbraw/zinc/97/28/06/562972806.db2.gz WYZGRHHCRVUCHW-UHFFFAOYSA-N 0 0 434.880 3.201 50 0 IGAARN COc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC ZINC000009518867 562972882 /nfs/dbraw/zinc/97/28/82/562972882.db2.gz PKLACQPPSVOGCT-UHFFFAOYSA-N 0 0 435.480 3.102 50 0 IGAARN COc1ccc(CNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1 ZINC000009587714 562973623 /nfs/dbraw/zinc/97/36/23/562973623.db2.gz WFBURSGMJOIYNR-UHFFFAOYSA-N 0 0 446.550 3.277 50 0 IGAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nncn2C)cc1OC ZINC000009638928 562974687 /nfs/dbraw/zinc/97/46/87/562974687.db2.gz DQSGVVGASVFHMB-OAHLLOKOSA-N 0 0 443.554 3.364 50 0 IGAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009716961 562975950 /nfs/dbraw/zinc/97/59/50/562975950.db2.gz NGSMVEJTAUFJRJ-UHFFFAOYSA-N 0 0 444.417 3.464 50 0 IGAARN O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)NCc1ccccc1 ZINC000009761489 562976631 /nfs/dbraw/zinc/97/66/31/562976631.db2.gz MSXZEUZCMRJRLW-UHFFFAOYSA-N 0 0 430.327 3.404 50 0 IGAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000010022381 562978346 /nfs/dbraw/zinc/97/83/46/562978346.db2.gz HRCOMGSFHKLQHB-QFIPXVFZSA-N 0 0 429.520 3.399 50 0 IGAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1nc4ccc(S(C)(=O)=O)cc4s1)(C3)C2 ZINC000012813408 562983186 /nfs/dbraw/zinc/98/31/86/562983186.db2.gz VAUYJTGYPGRBBS-ZXPDZVFASA-N 0 0 447.582 3.113 50 0 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ZINC000015943107 563019997 /nfs/dbraw/zinc/01/99/97/563019997.db2.gz PWPBIUMGUDQMTR-SFHVURJKSA-N 0 0 445.523 3.475 50 0 IGAARN COc1cc(CN(C(=S)NCC(=O)NC2CCCC2)C2CCCC2)cc(OC)c1OC ZINC000015974225 563020579 /nfs/dbraw/zinc/02/05/79/563020579.db2.gz VEQVDDPRWKKZQC-UHFFFAOYSA-N 0 0 449.617 3.390 50 0 IGAARN Cc1ccc(NC(=S)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 ZINC000015974124 563020625 /nfs/dbraw/zinc/02/06/25/563020625.db2.gz UAKHLGWRPMSYGS-DBYOASNMSA-N 0 0 433.533 3.103 50 0 IGAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000029653821 563083026 /nfs/dbraw/zinc/08/30/26/563083026.db2.gz LIUROJXGHHUZBV-UHFFFAOYSA-N 0 0 429.498 3.373 50 0 IGAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC ZINC000037868519 563095987 /nfs/dbraw/zinc/09/59/87/563095987.db2.gz WVBNINPRELCVIX-XZOQPEGZSA-N 0 0 431.492 3.326 50 0 IGAARN O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000056896437 563142769 /nfs/dbraw/zinc/14/27/69/563142769.db2.gz 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CCOc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C3=C2C(=O)OC3)cc1 ZINC000263619041 568777810 /nfs/dbraw/zinc/77/78/10/568777810.db2.gz WPRLVWFOTSAPBX-QHCPKHFHSA-N 0 0 447.491 3.290 50 0 IGAARN C[C@H](NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)cc1Cl ZINC000015447498 568780668 /nfs/dbraw/zinc/78/06/68/568780668.db2.gz YMBTTXJFVUILHY-WZEQGRABSA-N 0 0 427.332 3.176 50 0 IGAARN CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 ZINC000032103359 568780894 /nfs/dbraw/zinc/78/08/94/568780894.db2.gz LMZUNKKNIPSRBU-UHFFFAOYSA-N 0 0 435.553 3.190 50 0 IGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000001359277 568781747 /nfs/dbraw/zinc/78/17/47/568781747.db2.gz KNWJZPYAMGDLJV-UHFFFAOYSA-N 0 0 445.472 3.231 50 0 IGAARN CCn1cc(NC(=O)C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)cn1 ZINC000083843583 568782851 /nfs/dbraw/zinc/78/28/51/568782851.db2.gz ZCAMGANNDBJXTF-KRWDZBQOSA-N 0 0 435.569 3.020 50 0 IGAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(CS(=O)(=O)N2CCCCC2)c1 ZINC000223218845 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O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc(F)cc1 ZINC000009663726 569557251 /nfs/dbraw/zinc/55/72/51/569557251.db2.gz IIAHGLNLDDWPJB-UHFFFAOYSA-N 0 0 444.937 3.037 50 0 IGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000009664887 569557472 /nfs/dbraw/zinc/55/74/72/569557472.db2.gz HOPPQSDQYGOICW-IBGZPJMESA-N 0 0 438.505 3.082 50 0 IGAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000009667775 569557882 /nfs/dbraw/zinc/55/78/82/569557882.db2.gz VDDCKYNKAMLBSW-AWEZNQCLSA-N 0 0 426.922 3.049 50 0 IGAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000009673471 569558917 /nfs/dbraw/zinc/55/89/17/569558917.db2.gz NLCZZONGQPDMMR-UHFFFAOYSA-N 0 0 439.924 3.426 50 0 IGAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)N1CCCCCC1 ZINC000009673903 569558999 /nfs/dbraw/zinc/55/89/99/569558999.db2.gz SBBSTMTWEPVGNZ-UHFFFAOYSA-N 0 0 426.901 3.287 50 0 IGAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)cc2C[C@H]1C ZINC000009676961 569559478 /nfs/dbraw/zinc/55/94/78/569559478.db2.gz UFOWOPVCVBAOAA-CYBMUJFWSA-N 0 0 436.480 3.455 50 0 IGAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000009677431 569559518 /nfs/dbraw/zinc/55/95/18/569559518.db2.gz AWZLSBNPECJIIA-UHFFFAOYSA-N 0 0 448.595 3.453 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(SC)c2)c1N ZINC000009677982 569559584 /nfs/dbraw/zinc/55/95/84/569559584.db2.gz LZZHKJHAITWQDF-UHFFFAOYSA-N 0 0 446.920 3.135 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1N ZINC000009677944 569559620 /nfs/dbraw/zinc/55/96/20/569559620.db2.gz GCWCSPLSSDPUOO-UHFFFAOYSA-N 0 0 428.880 3.030 50 0 IGAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(Br)s3)o2)c1 ZINC000009707631 569561587 /nfs/dbraw/zinc/56/15/87/569561587.db2.gz RVNDWTUDBXMCGJ-UHFFFAOYSA-N 0 0 428.289 3.216 50 0 IGAARN Cn1ncc2c1ncn(CC(=O)Oc1ccc(-c3ccc(Br)cc3)cc1)c2=O ZINC000009709142 569561990 /nfs/dbraw/zinc/56/19/90/569561990.db2.gz OHCQJCHLNQUOPN-UHFFFAOYSA-N 0 0 439.269 3.165 50 0 IGAARN NC(=O)c1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000009712238 569562219 /nfs/dbraw/zinc/56/22/19/569562219.db2.gz HIWGXWPUIIPEBT-INIZCTEOSA-N 0 0 441.553 3.273 50 0 IGAARN Cc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009712435 569562249 /nfs/dbraw/zinc/56/22/49/569562249.db2.gz HLGVHXSGDMUCMM-UHFFFAOYSA-N 0 0 438.505 3.497 50 0 IGAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000009721208 569563389 /nfs/dbraw/zinc/56/33/89/569563389.db2.gz GRZCUHGJADCJAL-UHFFFAOYSA-N 0 0 433.295 3.109 50 0 IGAARN COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000070926135 569563532 /nfs/dbraw/zinc/56/35/32/569563532.db2.gz JBDQXGYJZMVZDR-UHFFFAOYSA-N 0 0 432.318 3.135 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCCCC1)cn2C ZINC000009724226 569563665 /nfs/dbraw/zinc/56/36/65/569563665.db2.gz AYWMWJMKPZEQOR-UHFFFAOYSA-N 0 0 433.574 3.022 50 0 IGAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000009725324 569563756 /nfs/dbraw/zinc/56/37/56/569563756.db2.gz MEVNVTGZTDJONH-IBGZPJMESA-N 0 0 428.535 3.480 50 0 IGAARN Cc1nnc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1C1CCCCC1 ZINC000009728178 569564124 /nfs/dbraw/zinc/56/41/24/569564124.db2.gz WNGNTRJALXSNJY-LJQANCHMSA-N 0 0 448.614 3.404 50 0 IGAARN COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000009731242 569564561 /nfs/dbraw/zinc/56/45/61/569564561.db2.gz ZVKWQUIXLIBGJL-HNNXBMFYSA-N 0 0 432.480 3.486 50 0 IGAARN COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(C(C)(C)C)cc3)c(C(N)=O)n2)c1OC ZINC000009738979 569564947 /nfs/dbraw/zinc/56/49/47/569564947.db2.gz VVRMZALBXCZKBD-UHFFFAOYSA-N 0 0 447.495 3.189 50 0 IGAARN O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000009740947 569565173 /nfs/dbraw/zinc/56/51/73/569565173.db2.gz VUOJRDAFGBXUAI-GOSISDBHSA-N 0 0 427.450 3.051 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000009741226 569565255 /nfs/dbraw/zinc/56/52/55/569565255.db2.gz 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COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccccc2OC)c1 ZINC000009778823 569567350 /nfs/dbraw/zinc/56/73/50/569567350.db2.gz AYBUDSJLFBOFPO-VXKWHMMOSA-N 0 0 428.444 3.457 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000009782941 569567745 /nfs/dbraw/zinc/56/77/45/569567745.db2.gz KSSRRKQTSBEQQQ-UHFFFAOYSA-N 0 0 438.549 3.450 50 0 IGAARN C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009782921 569567753 /nfs/dbraw/zinc/56/77/53/569567753.db2.gz BXSDVLDYXGZTOY-SFHVURJKSA-N 0 0 430.574 3.068 50 0 IGAARN O=C(CSc1nnc(-c2ccccc2)o1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009795837 569568469 /nfs/dbraw/zinc/56/84/69/569568469.db2.gz YOKHYDBZISQUJV-GOSISDBHSA-N 0 0 443.550 3.045 50 0 IGAARN CN(C(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000009795954 569568470 /nfs/dbraw/zinc/56/84/70/569568470.db2.gz BMNCBDUZAZASEY-MRXNPFEDSA-N 0 0 442.566 3.111 50 0 IGAARN Cc1sc2[nH]c(=O)n(-c3ccc(C(=O)NCCc4cccs4)cc3)c(=O)c2c1C ZINC000071115529 569570195 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COc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000022395522 523751207 /nfs/dbraw/zinc/75/12/07/523751207.db2.gz PSNTXHJXTXPJKD-MAUKXSAKSA-N 0 0 446.573 3.266 50 0 IGAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000012797077 523781929 /nfs/dbraw/zinc/78/19/29/523781929.db2.gz CVSQGLIOSCJEHL-UHFFFAOYSA-N 0 0 439.445 3.139 50 0 IGAARN COc1ccc(CC(=O)Oc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012920311 523913045 /nfs/dbraw/zinc/91/30/45/523913045.db2.gz SDOYTVFZLUEPSQ-UHFFFAOYSA-N 0 0 447.553 3.162 50 0 IGAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC000012798913 523915689 /nfs/dbraw/zinc/91/56/89/523915689.db2.gz JPDVURRCCITEDI-UHFFFAOYSA-N 0 0 442.368 3.111 50 0 IGAARN CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026456 523946212 /nfs/dbraw/zinc/94/62/12/523946212.db2.gz QVKXGFHTQFBHMH-CVDCTZTESA-N 0 0 435.568 3.469 50 0 IGAARN CCc1ccc(N2C(=O)c3cc(C(=O)OC)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021878242 523963718 /nfs/dbraw/zinc/96/37/18/523963718.db2.gz XQPBOENLURBULH-DEOSSOPVSA-N 0 0 438.528 3.100 50 0 IGAARN COc1ccc(CCNC(=O)[C@@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OC ZINC000065289487 523966101 /nfs/dbraw/zinc/96/61/01/523966101.db2.gz GUNJBZRPTPFZKB-LJQANCHMSA-N 0 0 438.572 3.194 50 0 IGAARN CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 ZINC000022666591 523967158 /nfs/dbraw/zinc/96/71/58/523967158.db2.gz TVTHZFOKIXAMHB-UHFFFAOYSA-N 0 0 425.539 3.379 50 0 IGAARN CCc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000022714408 523977392 /nfs/dbraw/zinc/97/73/92/523977392.db2.gz OZVQXDSEHPTNBA-UHFFFAOYSA-N 0 0 428.492 3.116 50 0 IGAARN COc1ccc(CN(C)C(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000035373531 523992751 /nfs/dbraw/zinc/99/27/51/523992751.db2.gz XOQZWMPPFFAVBZ-UHFFFAOYSA-N 0 0 432.480 3.486 50 0 IGAARN COc1ccc(CN(C)C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)cc1OC ZINC000012855417 523995827 /nfs/dbraw/zinc/99/58/27/523995827.db2.gz HYMVDTGTBHKFLG-UHFFFAOYSA-N 0 0 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ZINC000012194975 524066286 /nfs/dbraw/zinc/06/62/86/524066286.db2.gz GYKRIRFIYGMHMT-UHFFFAOYSA-N 0 0 438.933 3.217 50 0 IGAARN CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021873055 524071470 /nfs/dbraw/zinc/07/14/70/524071470.db2.gz JALUXHFDPVEQFD-XMMPIXPASA-N 0 0 438.528 3.100 50 0 IGAARN CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)c1 ZINC000023078940 524071839 /nfs/dbraw/zinc/07/18/39/524071839.db2.gz ZQFCMWHENAANEC-SFHVURJKSA-N 0 0 441.553 3.025 50 0 IGAARN COc1cccc([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054377 524118156 /nfs/dbraw/zinc/11/81/56/524118156.db2.gz UFTIPRSUJNFSMV-PMACEKPBSA-N 0 0 428.504 3.357 50 0 IGAARN COc1cccc([C@@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCc2ccccc2)c1OC ZINC000036055356 524122021 /nfs/dbraw/zinc/12/20/21/524122021.db2.gz OMGNTNUPDAVEQC-PMACEKPBSA-N 0 0 441.597 3.319 50 0 IGAARN Cc1ccc(C)c(N2CCN(C(=O)CCn3cnc4c5ccccc5[nH]c4c3=O)CC2)c1 ZINC000035423909 524123196 /nfs/dbraw/zinc/12/31/96/524123196.db2.gz YEPHHASGKHVWRJ-UHFFFAOYSA-N 0 0 429.524 3.234 50 0 IGAARN Cc1cccc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000012760582 524163817 /nfs/dbraw/zinc/16/38/17/524163817.db2.gz SCDNXJFFNBXGCB-UHFFFAOYSA-N 0 0 434.540 3.477 50 0 IGAARN COc1cccc([C@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054407 524179292 /nfs/dbraw/zinc/17/92/92/524179292.db2.gz OVXWSRIEFVDIET-UXHICEINSA-N 0 0 426.488 3.111 50 0 IGAARN Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)C(C)C)c1 ZINC000012929204 524200636 /nfs/dbraw/zinc/20/06/36/524200636.db2.gz JMAHDRJLYJAVJJ-OAQYLSRUSA-N 0 0 439.512 3.258 50 0 IGAARN C[C@@H](C(=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1)N1CCOCC1 ZINC000020999820 524218630 /nfs/dbraw/zinc/21/86/30/524218630.db2.gz FRLNPWPFEJCKSF-IBGZPJMESA-N 0 0 433.556 3.011 50 0 IGAARN Cc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)NC2=O)cc1 ZINC000035432438 524230131 /nfs/dbraw/zinc/23/01/31/524230131.db2.gz GBOHSGJOHXWVMG-UHFFFAOYSA-N 0 0 439.581 3.392 50 0 IGAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)c(Cl)c4)CC3)NC2=O)cc1 ZINC000035430783 524230839 /nfs/dbraw/zinc/23/08/39/524230839.db2.gz LBBGFQJIMUJHMU-UHFFFAOYSA-N 0 0 428.895 3.137 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000021537400 524240881 /nfs/dbraw/zinc/24/08/81/524240881.db2.gz SIXPMPGFPITOMF-MRXNPFEDSA-N 0 0 433.537 3.314 50 0 IGAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)on1 ZINC000012816680 524267586 /nfs/dbraw/zinc/26/75/86/524267586.db2.gz MUBLKPYGZRVMLV-UHFFFAOYSA-N 0 0 441.553 3.474 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O ZINC000021923795 524276150 /nfs/dbraw/zinc/27/61/50/524276150.db2.gz NQGRWVOSZIGZSX-UHFFFAOYSA-N 0 0 425.913 3.097 50 0 IGAARN COc1ccccc1-n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C ZINC000021174225 524306600 /nfs/dbraw/zinc/30/66/00/524306600.db2.gz KTLCLQUMOSFFJD-UHFFFAOYSA-N 0 0 440.297 3.466 50 0 IGAARN 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Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)c1C ZINC000017135621 524573841 /nfs/dbraw/zinc/57/38/41/524573841.db2.gz PJKDDZGZONCQES-UHFFFAOYSA-N 0 0 425.539 3.434 50 0 IGAARN Cc1cccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)c1C ZINC000035445516 524595553 /nfs/dbraw/zinc/59/55/53/524595553.db2.gz PVAIFASXTLHCJU-NRFANRHFSA-N 0 0 434.540 3.349 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1 ZINC000012733609 524615061 /nfs/dbraw/zinc/61/50/61/524615061.db2.gz LSJJCZROZWMBMY-LJQANCHMSA-N 0 0 432.542 3.421 50 0 IGAARN COc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000022089437 524621719 /nfs/dbraw/zinc/62/17/19/524621719.db2.gz MOXPDUCLZYVTCH-SFHVURJKSA-N 0 0 427.545 3.166 50 0 IGAARN Cc1ccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)O)cc1 ZINC000020822289 524625198 /nfs/dbraw/zinc/62/51/98/524625198.db2.gz CMHORSOMRWDICU-YVEFUNNKSA-N 0 0 432.325 3.073 50 0 IGAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000016954188 524630578 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COc1ccc(OC)c(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)c1 ZINC000012799597 524852665 /nfs/dbraw/zinc/85/26/65/524852665.db2.gz FXMOLEWSYRDZRS-GOSISDBHSA-N 0 0 442.497 3.076 50 0 IGAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000021205449 524892651 /nfs/dbraw/zinc/89/26/51/524892651.db2.gz YUFZHAVBPDACJU-KRWDZBQOSA-N 0 0 430.888 3.446 50 0 IGAARN COc1ccc(OC)c2c1cc(C(=O)N[C@H](CCSC)c1nnc3ccccn31)n2C ZINC000020745617 524921671 /nfs/dbraw/zinc/92/16/71/524921671.db2.gz SQJNLZTWSIRTKB-OAHLLOKOSA-N 0 0 439.541 3.462 50 0 IGAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NCc2ccco2)C3=O)cc1 ZINC000020573915 524922347 /nfs/dbraw/zinc/92/23/47/524922347.db2.gz IGSYHSZOVJDQOT-DEOSSOPVSA-N 0 0 447.516 3.184 50 0 IGAARN Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 ZINC000022626922 524922716 /nfs/dbraw/zinc/92/27/16/524922716.db2.gz PVTNSEGWHHORSX-AVRDEDQJSA-N 0 0 425.554 3.279 50 0 IGAARN C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1Cl ZINC000022912239 524953669 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COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)cc1 ZINC000012784663 525019700 /nfs/dbraw/zinc/01/97/00/525019700.db2.gz YCGAFJOLQCWFCO-UHFFFAOYSA-N 0 0 428.554 3.384 50 0 IGAARN C[C@@H]1CN(Cc2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)C[C@H](C)O1 ZINC000022305399 525029713 /nfs/dbraw/zinc/02/97/13/525029713.db2.gz NSCXLYBVXXCGPV-HLLBOEOZSA-N 0 0 428.558 3.282 50 0 IGAARN C[C@@H]1CN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000012550559 525032203 /nfs/dbraw/zinc/03/22/03/525032203.db2.gz RKOLAKKTXQNWIA-RKDXNWHRSA-N 0 0 431.128 3.057 50 0 IGAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000021532152 525044837 /nfs/dbraw/zinc/04/48/37/525044837.db2.gz FBWBXGDDIUECQX-UHFFFAOYSA-N 0 0 435.933 3.182 50 0 IGAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)c(Cl)c1 ZINC000021531305 525050647 /nfs/dbraw/zinc/05/06/47/525050647.db2.gz VCKKGLWZESXJAU-UHFFFAOYSA-N 0 0 425.913 3.179 50 0 IGAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000035278008 525052660 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COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 ZINC000012927913 525406524 /nfs/dbraw/zinc/40/65/24/525406524.db2.gz VSTJVIBERFHNKB-HSZRJFAPSA-N 0 0 447.535 3.211 50 0 IGAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cnc(C)cn2)cc1 ZINC000034746467 525406845 /nfs/dbraw/zinc/40/68/45/525406845.db2.gz VQDIQILONVVZFZ-JOCHJYFZSA-N 0 0 430.464 3.328 50 0 IGAARN Cc1ccc(OCCN(C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012907039 525418342 /nfs/dbraw/zinc/41/83/42/525418342.db2.gz HIHRJYOKIPREBF-IBGZPJMESA-N 0 0 445.585 3.117 50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012790816 525435441 /nfs/dbraw/zinc/43/54/41/525435441.db2.gz PYUGYBNBZGAPNZ-UHFFFAOYSA-N 0 0 435.908 3.416 50 0 IGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccc(OC)c(OC)c1)CC3 ZINC000020762800 525484847 /nfs/dbraw/zinc/48/48/47/525484847.db2.gz BOAABUZLCPWWFO-UHFFFAOYSA-N 0 0 437.496 3.497 50 0 IGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1)CC3 ZINC000020762302 525486829 /nfs/dbraw/zinc/48/68/29/525486829.db2.gz QMPBHLBUAUDERS-UHFFFAOYSA-N 0 0 434.496 3.439 50 0 IGAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000033062861 525492242 /nfs/dbraw/zinc/49/22/42/525492242.db2.gz BNOGANNXEPMOFJ-HXUWFJFHSA-N 0 0 439.537 3.478 50 0 IGAARN COc1ccc2c(C[C@@H]3[C@H](O)c4ccccc4S(=O)(=O)N3Cc3ccncc3)c[nH]c2c1 ZINC000012325135 525501787 /nfs/dbraw/zinc/50/17/87/525501787.db2.gz HXBUSAWQWAVLFC-ISKFKSNPSA-N 0 0 449.532 3.421 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000012760122 525522898 /nfs/dbraw/zinc/52/28/98/525522898.db2.gz NDIGFMGLLQHNBD-UHFFFAOYSA-N 0 0 436.599 3.250 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)cc1 ZINC000012792319 525541187 /nfs/dbraw/zinc/54/11/87/525541187.db2.gz AEEIKRNUDFYTFK-UHFFFAOYSA-N 0 0 427.501 3.137 50 0 IGAARN Cc1ccn(CCC(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n1 ZINC000014534099 525601058 /nfs/dbraw/zinc/60/10/58/525601058.db2.gz KDQZBMUQPMSKCE-HSZRJFAPSA-N 0 0 438.572 3.171 50 0 IGAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(F)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535242 525606955 /nfs/dbraw/zinc/60/69/55/525606955.db2.gz WOBFQONGMSIMJK-UHFFFAOYSA-N 0 0 431.423 3.414 50 0 IGAARN COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C ZINC000012139804 525609423 /nfs/dbraw/zinc/60/94/23/525609423.db2.gz KPRZUDCWLFRAOY-QURGRASLSA-N 0 0 445.566 3.164 50 0 IGAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(C)C)cc1)O[C@@H](C)C(=O)N2 ZINC000035452788 525611145 /nfs/dbraw/zinc/61/11/45/525611145.db2.gz WFNBGACSJNHQQP-HNNXBMFYSA-N 0 0 445.541 3.097 50 0 IGAARN C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000012888172 525614856 /nfs/dbraw/zinc/61/48/56/525614856.db2.gz QBZUPHFEXCTYPJ-LBPRGKRZSA-N 0 0 436.295 3.204 50 0 IGAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000020898344 525657694 /nfs/dbraw/zinc/65/76/94/525657694.db2.gz PUOUMFKRFBOGGA-UHFFFAOYSA-N 0 0 432.611 3.445 50 0 IGAARN COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)sc2c1 ZINC000012749122 525675418 /nfs/dbraw/zinc/67/54/18/525675418.db2.gz AXYJQPLYQVZZAE-HNNXBMFYSA-N 0 0 447.538 3.015 50 0 IGAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)NC[C@H]3CCCO3)CC(C)C)no2)c1 ZINC000036002527 525701321 /nfs/dbraw/zinc/70/13/21/525701321.db2.gz AEMMRBCSUHUVIU-LJQANCHMSA-N 0 0 429.517 3.134 50 0 IGAARN Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nn21 ZINC000012870668 525721526 /nfs/dbraw/zinc/72/15/26/525721526.db2.gz RSCZHQUOMWJFDW-VIFPVBQESA-N 0 0 427.770 3.289 50 0 IGAARN COc1cccc(-c2nc(COC(=O)c3ccc(N4CCOCC4)nc3)cs2)c1OC ZINC000021591352 525724577 /nfs/dbraw/zinc/72/45/77/525724577.db2.gz UUZWMMIESRSNJF-UHFFFAOYSA-N 0 0 441.509 3.416 50 0 IGAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325532 525724810 /nfs/dbraw/zinc/72/48/10/525724810.db2.gz HBEPAXFRPINHQH-SFHVURJKSA-N 0 0 427.501 3.287 50 0 IGAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCC(C)C)[C@@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036059726 525809806 /nfs/dbraw/zinc/80/98/06/525809806.db2.gz BAQZKBDIKUWYFI-YADHBBJMSA-N 0 0 440.540 3.340 50 0 IGAARN COc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)c1 ZINC000012508511 525868842 /nfs/dbraw/zinc/86/88/42/525868842.db2.gz FERYSFQOADKJLH-PFATUAPWSA-N 0 0 436.552 3.465 50 0 IGAARN C[C@H](OC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(=O)N1CCCCC1 ZINC000012782498 525884765 /nfs/dbraw/zinc/88/47/65/525884765.db2.gz YRWBIAIOXSMHHQ-XHDPSFHLSA-N 0 0 430.448 3.453 50 0 IGAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012533947 525891098 /nfs/dbraw/zinc/89/10/98/525891098.db2.gz AJPZFOVXVGJLIP-PEBXRYMYSA-N 0 0 425.510 3.252 50 0 IGAARN C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012627638 525895112 /nfs/dbraw/zinc/89/51/12/525895112.db2.gz UEGSVVJOILJSDC-INIZCTEOSA-N 0 0 438.459 3.032 50 0 IGAARN COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1OC ZINC000017967398 525909352 /nfs/dbraw/zinc/90/93/52/525909352.db2.gz FFQWCRWJBCZPJA-UHFFFAOYSA-N 0 0 444.509 3.048 50 0 IGAARN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012785326 525923338 /nfs/dbraw/zinc/92/33/38/525923338.db2.gz IZCTXNVZKFDPHA-AWEZNQCLSA-N 0 0 443.352 3.294 50 0 IGAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000021859669 525928044 /nfs/dbraw/zinc/92/80/44/525928044.db2.gz QTBOMPDYKDHYPH-LVXARBLLSA-N 0 0 447.535 3.360 50 0 IGAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(=O)NCc1ccc(Cl)cc1)nc2C ZINC000020563623 525934714 /nfs/dbraw/zinc/93/47/14/525934714.db2.gz FMAQMFLFBJQVAP-UHFFFAOYSA-N 0 0 435.915 3.477 50 0 IGAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012801273 525940176 /nfs/dbraw/zinc/94/01/76/525940176.db2.gz MYNKONYHZVGETA-UHFFFAOYSA-N 0 0 444.241 3.469 50 0 IGAARN C[C@H](Oc1ccccc1)C(=O)NCCn1ncc2c1ncnc2NCCc1ccccc1 ZINC000035590583 525954732 /nfs/dbraw/zinc/95/47/32/525954732.db2.gz SWVIXGBMEBGQGI-SFHVURJKSA-N 0 0 430.512 3.065 50 0 IGAARN CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 ZINC000012078954 525959617 /nfs/dbraw/zinc/95/96/17/525959617.db2.gz MSQCWBIFLJITBC-UHFFFAOYSA-N 0 0 433.537 3.030 50 0 IGAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000012315654 525968650 /nfs/dbraw/zinc/96/86/50/525968650.db2.gz VFEOQSFEOIWUJU-QGZVFWFLSA-N 0 0 434.533 3.332 50 0 IGAARN COc1cccc(CNC(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000035530534 525981111 /nfs/dbraw/zinc/98/11/11/525981111.db2.gz DAMIYSRTLMQXAF-UHFFFAOYSA-N 0 0 439.512 3.052 50 0 IGAARN COc1cccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)c1 ZINC000035423334 526003842 /nfs/dbraw/zinc/00/38/42/526003842.db2.gz DUGQLNWASMYWEO-UHFFFAOYSA-N 0 0 428.448 3.229 50 0 IGAARN C[C@@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000022594575 526012138 /nfs/dbraw/zinc/01/21/38/526012138.db2.gz PUQZAGDVDFGRQY-VQIMIIECSA-N 0 0 447.580 3.336 50 0 IGAARN C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012738024 526018370 /nfs/dbraw/zinc/01/83/70/526018370.db2.gz OAWIGTOLQLSFSA-KOLCDFICSA-N 0 0 433.868 3.226 50 0 IGAARN Cc1cnc(CNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)cn1 ZINC000012431493 526032600 /nfs/dbraw/zinc/03/26/00/526032600.db2.gz OQSHPKJLRPBYIG-IBGZPJMESA-N 0 0 428.540 3.264 50 0 IGAARN C[C@@H](c1ccccc1)N1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000036027185 526090197 /nfs/dbraw/zinc/09/01/97/526090197.db2.gz KDWZZQWYZNKDLP-IRXDYDNUSA-N 0 0 447.988 3.402 50 0 IGAARN C[C@@H](c1ccccc1)N1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000036027184 526090724 /nfs/dbraw/zinc/09/07/24/526090724.db2.gz KDWZZQWYZNKDLP-SJORKVTESA-N 0 0 447.988 3.402 50 0 IGAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022914203 526096914 /nfs/dbraw/zinc/09/69/14/526096914.db2.gz MMCRSSNSBGKDSH-ZWKOTPCHSA-N 0 0 428.964 3.162 50 0 IGAARN C[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccc(F)cc1 ZINC000034694168 526098298 /nfs/dbraw/zinc/09/82/98/526098298.db2.gz 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Cc1cc(Br)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012806172 526167307 /nfs/dbraw/zinc/16/73/07/526167307.db2.gz VZXNQQMDUFUTOE-UHFFFAOYSA-N 0 0 440.315 3.331 50 0 IGAARN C[C@H](c1nc2ccccc2s1)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000022915684 526182863 /nfs/dbraw/zinc/18/28/63/526182863.db2.gz KHCNHYJRUUMLNS-MRXNPFEDSA-N 0 0 427.574 3.187 50 0 IGAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325636 526201134 /nfs/dbraw/zinc/20/11/34/526201134.db2.gz JPBFMHJVZDNCHK-SFHVURJKSA-N 0 0 425.510 3.479 50 0 IGAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccn3)CC2)cc1F ZINC000033312935 526211354 /nfs/dbraw/zinc/21/13/54/526211354.db2.gz LLECWHYJHMYMGE-HSZRJFAPSA-N 0 0 446.526 3.219 50 0 IGAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2S1 ZINC000015730509 526217672 /nfs/dbraw/zinc/21/76/72/526217672.db2.gz ZNQIIBWOXKLKPD-CQSZACIVSA-N 0 0 435.546 3.159 50 0 IGAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 ZINC000001109776 526248114 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CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3c4ccccc4oc3=O)cc2)CC1 ZINC000009226853 556260678 /nfs/dbraw/zinc/26/06/78/556260678.db2.gz AFJUPRBVTQOYHO-UHFFFAOYSA-N 0 0 443.525 3.044 50 0 IGAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000009261077 556268982 /nfs/dbraw/zinc/26/89/82/556268982.db2.gz RJOMQRGAEKOUAI-ITTMYVLYSA-N 0 0 444.303 3.454 50 0 IGAARN CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000009262629 556269532 /nfs/dbraw/zinc/26/95/32/556269532.db2.gz RTSYHTAZSDBMBU-UHFFFAOYSA-N 0 0 443.504 3.358 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009262749 556269807 /nfs/dbraw/zinc/26/98/07/556269807.db2.gz YGOYPQUJCIBYDH-UHFFFAOYSA-N 0 0 434.525 3.065 50 0 IGAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013692891 556282566 /nfs/dbraw/zinc/28/25/66/556282566.db2.gz KTJMNWZRSVCJIG-UHFFFAOYSA-N 0 0 429.517 3.163 50 0 IGAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCCc2ccco2)c1OC ZINC000032731496 556283300 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/nfs/dbraw/zinc/31/38/26/556313826.db2.gz ROLHIQHKMMNRJA-QFIPXVFZSA-N 0 0 443.455 3.329 50 0 IGAARN Cc1cc(Cn2c(CN3CCOCC3)nc3scc(-c4cccs4)c3c2=O)no1 ZINC000032747342 556315921 /nfs/dbraw/zinc/31/59/21/556315921.db2.gz BJKUUIAKWGDLSL-UHFFFAOYSA-N 0 0 428.539 3.363 50 0 IGAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000032747438 556316051 /nfs/dbraw/zinc/31/60/51/556316051.db2.gz ANIKXDZIXCIYGA-GFCCVEGCSA-N 0 0 438.465 3.142 50 0 IGAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000032747545 556316200 /nfs/dbraw/zinc/31/62/00/556316200.db2.gz FVVCUOWSUAXCFL-UHFFFAOYSA-N 0 0 440.887 3.312 50 0 IGAARN CN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000032748211 556316950 /nfs/dbraw/zinc/31/69/50/556316950.db2.gz GOVXNURVLVXQAS-UHFFFAOYSA-N 0 0 429.361 3.224 50 0 IGAARN Cc1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 ZINC000013838686 556317190 /nfs/dbraw/zinc/31/71/90/556317190.db2.gz YPOBGXRDBVWDJQ-UHFFFAOYSA-N 0 0 447.329 3.209 50 0 IGAARN COc1ccc(C)cc1NC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O ZINC000013842494 556317887 /nfs/dbraw/zinc/31/78/87/556317887.db2.gz SVQGUKYDJBQFOH-UHFFFAOYSA-N 0 0 432.274 3.173 50 0 IGAARN COc1ccc(Cc2nnc(NC(=O)CCS(=O)(=O)Cc3ccccc3)s2)cc1 ZINC000010059733 556324413 /nfs/dbraw/zinc/32/44/13/556324413.db2.gz NRKZTSWKLUAPSM-UHFFFAOYSA-N 0 0 431.539 3.081 50 0 IGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032769072 556333805 /nfs/dbraw/zinc/33/38/05/556333805.db2.gz UBYYJEPHSBJEJB-UHFFFAOYSA-N 0 0 430.508 3.180 50 0 IGAARN CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000010381787 556333975 /nfs/dbraw/zinc/33/39/75/556333975.db2.gz NZFJGIVWGJNVFO-UHFFFAOYSA-N 0 0 432.980 3.340 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)Cc2nccn2C(F)F)c(C)c1 ZINC000032769697 556334137 /nfs/dbraw/zinc/33/41/37/556334137.db2.gz QZFPPXKVNLEJFI-INIZCTEOSA-N 0 0 440.516 3.015 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)c(Br)c1 ZINC000032770700 556334809 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/nfs/dbraw/zinc/44/89/71/556448971.db2.gz BSUMZVPZBBXUSN-AWEZNQCLSA-N 0 0 427.455 3.488 50 0 IGAARN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000028290260 556449549 /nfs/dbraw/zinc/44/95/49/556449549.db2.gz DZZGEWSMODDZHJ-NRFANRHFSA-N 0 0 442.537 3.257 50 0 IGAARN COc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc(OC)c1Br ZINC000032868975 556449874 /nfs/dbraw/zinc/44/98/74/556449874.db2.gz STQCJNFVUPGMEC-UHFFFAOYSA-N 0 0 431.290 3.036 50 0 IGAARN CCOc1cccc(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)c1 ZINC000028304837 556452166 /nfs/dbraw/zinc/45/21/66/556452166.db2.gz MVDXOWMVDYNOFQ-UHFFFAOYSA-N 0 0 444.509 3.051 50 0 IGAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000028326680 556452337 /nfs/dbraw/zinc/45/23/37/556452337.db2.gz UQHZAHAWXGRAOS-UHFFFAOYSA-N 0 0 428.964 3.357 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3cccs3)CC2)cc1 ZINC000013068824 556452552 /nfs/dbraw/zinc/45/25/52/556452552.db2.gz HQUPWKKDDFHODT-QGZVFWFLSA-N 0 0 435.615 3.055 50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013069082 556452614 /nfs/dbraw/zinc/45/26/14/556452614.db2.gz IHTMEBBNCARXBH-CVEARBPZSA-N 0 0 448.475 3.415 50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013069084 556452645 /nfs/dbraw/zinc/45/26/45/556452645.db2.gz IHTMEBBNCARXBH-HOTGVXAUSA-N 0 0 448.475 3.415 50 0 IGAARN COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013070584 556453224 /nfs/dbraw/zinc/45/32/24/556453224.db2.gz VDVSZUSARQDQCD-OAHLLOKOSA-N 0 0 438.933 3.367 50 0 IGAARN NS(=O)(=O)c1cc(F)cc(C(=O)Nc2ccc(Cl)cc2F)c1Br ZINC000072275361 556456074 /nfs/dbraw/zinc/45/60/74/556456074.db2.gz BLNRYOMJCOSKNT-UHFFFAOYSA-N 0 0 425.638 3.280 50 0 IGAARN COCCCN1C(=O)C[C@](CC(=O)NCc2ccc(Cl)s2)(c2ccccc2C)C1=O ZINC000014889545 556456197 /nfs/dbraw/zinc/45/61/97/556456197.db2.gz AMWGPSQVNFEQEB-JOCHJYFZSA-N 0 0 448.972 3.450 50 0 IGAARN CCn1c(CN(C)Cc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013095714 556456682 /nfs/dbraw/zinc/45/66/82/556456682.db2.gz IXFHSLPSBYAKMH-UHFFFAOYSA-N 0 0 442.585 3.018 50 0 IGAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000028643004 556457809 /nfs/dbraw/zinc/45/78/09/556457809.db2.gz XDDXQBJQSPRSQR-NRFANRHFSA-N 0 0 425.508 3.263 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)C[C@@H](C)O1 ZINC000014910592 556458280 /nfs/dbraw/zinc/45/82/80/556458280.db2.gz OZIJUZRYPBREGM-QZTJIDSGSA-N 0 0 443.569 3.337 50 0 IGAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCSc1ccccc1 ZINC000028669441 556458428 /nfs/dbraw/zinc/45/84/28/556458428.db2.gz QXWYVLZNKYTHPS-UHFFFAOYSA-N 0 0 432.343 3.458 50 0 IGAARN Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)coc2c1 ZINC000013108564 556462267 /nfs/dbraw/zinc/46/22/67/556462267.db2.gz KNAJCMQYDXMUNU-UHFFFAOYSA-N 0 0 426.538 3.434 50 0 IGAARN CC1(C)C[C@@H](NC(=O)NCc2ccccn2)C[C@@](C)(CNC(=O)NCc2ccccn2)C1 ZINC000013109800 556463593 /nfs/dbraw/zinc/46/35/93/556463593.db2.gz FVMTZJMQFXNADD-HYBUGGRVSA-N 0 0 438.576 3.360 50 0 IGAARN CC1(C)C[C@H](NC(=O)NCc2ccccn2)C[C@@](C)(CNC(=O)NCc2ccccn2)C1 ZINC000013109801 556463615 /nfs/dbraw/zinc/46/36/15/556463615.db2.gz FVMTZJMQFXNADD-GBXCKJPGSA-N 0 0 438.576 3.360 50 0 IGAARN CC1(C)C[C@H](NC(=O)NCc2ccccn2)C[C@](C)(CNC(=O)NCc2ccccn2)C1 ZINC000013109803 556463654 /nfs/dbraw/zinc/46/36/54/556463654.db2.gz FVMTZJMQFXNADD-RDPSFJRHSA-N 0 0 438.576 3.360 50 0 IGAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000028927961 556464020 /nfs/dbraw/zinc/46/40/20/556464020.db2.gz RVJZFBJVEFJOAI-UHFFFAOYSA-N 0 0 431.544 3.081 50 0 IGAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000013112590 556465198 /nfs/dbraw/zinc/46/51/98/556465198.db2.gz BRERLVBZNIDSMP-LJQANCHMSA-N 0 0 434.514 3.197 50 0 IGAARN Cc1ccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000013112769 556465837 /nfs/dbraw/zinc/46/58/37/556465837.db2.gz BGRVTHHCHODBGQ-UHFFFAOYSA-N 0 0 444.948 3.122 50 0 IGAARN CN(Cc1nccn1C(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000029181265 556469221 /nfs/dbraw/zinc/46/92/21/556469221.db2.gz YBDZWQXZPUWNQM-UHFFFAOYSA-N 0 0 446.907 3.378 50 0 IGAARN CN(Cc1nccn1C(F)F)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000029181282 556469306 /nfs/dbraw/zinc/46/93/06/556469306.db2.gz ZNVZYAXLVVASHY-UHFFFAOYSA-N 0 0 426.489 3.115 50 0 IGAARN CC(=O)Nc1ccc2c(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2c1 ZINC000029189132 556469540 /nfs/dbraw/zinc/46/95/40/556469540.db2.gz QIUSLWLIHCIJAA-UHFFFAOYSA-N 0 0 433.508 3.004 50 0 IGAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc[nH]n2)cc1OC ZINC000013117330 556469779 /nfs/dbraw/zinc/46/97/79/556469779.db2.gz YTIVDNJKVMOMLB-CQSZACIVSA-N 0 0 429.527 3.353 50 0 IGAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1CN1CCOCC1 ZINC000013117557 556470139 /nfs/dbraw/zinc/47/01/39/556470139.db2.gz PRMSMJGZCLHVJJ-UHFFFAOYSA-N 0 0 440.931 3.471 50 0 IGAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014979656 556470241 /nfs/dbraw/zinc/47/02/41/556470241.db2.gz VYQDABXSJGUDDG-UHFFFAOYSA-N 0 0 432.459 3.332 50 0 IGAARN COc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC000029350422 556473090 /nfs/dbraw/zinc/47/30/90/556473090.db2.gz WZPKNGSQWIPIQF-UHFFFAOYSA-N 0 0 439.476 3.035 50 0 IGAARN C[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)c2C(N)=O)C1 ZINC000013120967 556473305 /nfs/dbraw/zinc/47/33/05/556473305.db2.gz HGFDPWPQGFYEGZ-NSHDSACASA-N 0 0 427.555 3.488 50 0 IGAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013120990 556473552 /nfs/dbraw/zinc/47/35/52/556473552.db2.gz OCWBISYJMIIDPC-UHFFFAOYSA-N 0 0 443.525 3.298 50 0 IGAARN COc1cccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000013121085 556473603 /nfs/dbraw/zinc/47/36/03/556473603.db2.gz CFRLILZHYPNBEH-UHFFFAOYSA-N 0 0 443.503 3.149 50 0 IGAARN CN1C(=O)Cc2cc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)ccc21 ZINC000013121336 556474166 /nfs/dbraw/zinc/47/41/66/556474166.db2.gz UEXJVZBBRZIJQD-UHFFFAOYSA-N 0 0 448.548 3.267 50 0 IGAARN Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)C[C@@H]3C[C@@H](C)NC(=S)N3)C2)n1 ZINC000014992359 556475400 /nfs/dbraw/zinc/47/54/00/556475400.db2.gz HTMITRCGHKMOIJ-BSIFCXSSSA-N 0 0 437.613 3.097 50 0 IGAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029474453 556476083 /nfs/dbraw/zinc/47/60/83/556476083.db2.gz QMMNRLRRVWBTPI-QGZVFWFLSA-N 0 0 427.526 3.337 50 0 IGAARN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000014994819 556477069 /nfs/dbraw/zinc/47/70/69/556477069.db2.gz TYYKJSYYPYWTOR-GOSISDBHSA-N 0 0 431.540 3.306 50 0 IGAARN CS(=O)(=O)c1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000013128701 556478128 /nfs/dbraw/zinc/47/81/28/556478128.db2.gz QGMQUWNNUSTBCA-UHFFFAOYSA-N 0 0 428.539 3.279 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013128988 556478844 /nfs/dbraw/zinc/47/88/44/556478844.db2.gz HRLBRIRSDKPIKT-OAQYLSRUSA-N 0 0 446.551 3.379 50 0 IGAARN NC(=O)Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1cccs1 ZINC000029628531 556479020 /nfs/dbraw/zinc/47/90/20/556479020.db2.gz KNXAVCDAMGHTAQ-GFCCVEGCSA-N 0 0 433.584 3.009 50 0 IGAARN Cc1nonc1CN(C)[C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 ZINC000015003991 556480979 /nfs/dbraw/zinc/48/09/79/556480979.db2.gz DRMHWUOOHIQNIM-QGZVFWFLSA-N 0 0 435.553 3.495 50 0 IGAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 ZINC000032873923 556481939 /nfs/dbraw/zinc/48/19/39/556481939.db2.gz LGUFFOVVEMAJHV-QGZVFWFLSA-N 0 0 428.558 3.497 50 0 IGAARN CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N[C@@H]2CCOC(C)(C)C2)c1 ZINC000015007784 556482279 /nfs/dbraw/zinc/48/22/79/556482279.db2.gz WEEUBBIOECPTNT-GOSISDBHSA-N 0 0 431.577 3.254 50 0 IGAARN CC(C)C[C@H](C(=O)O[C@H](C)c1nc(-c2cccnc2)no1)N1C(=O)c2ccccc2C1=O ZINC000032876081 556482914 /nfs/dbraw/zinc/48/29/14/556482914.db2.gz VUOMRMGNYOMUKO-RDTXWAMCSA-N 0 0 434.452 3.447 50 0 IGAARN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000013135140 556483457 /nfs/dbraw/zinc/48/34/57/556483457.db2.gz CFEUGZZSELWQJN-INIZCTEOSA-N 0 0 426.469 3.262 50 0 IGAARN COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2nccn2C)cc1 ZINC000029847594 556484244 /nfs/dbraw/zinc/48/42/44/556484244.db2.gz VSIAMOZSJIPOOR-HKUYNNGSSA-N 0 0 428.533 3.281 50 0 IGAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(Cl)c1Cl ZINC000013137436 556484408 /nfs/dbraw/zinc/48/44/08/556484408.db2.gz BVXVHTHWLSCKKW-UHFFFAOYSA-N 0 0 433.313 3.270 50 0 IGAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CC(=O)Nc1ccccc1Br ZINC000013137761 556484712 /nfs/dbraw/zinc/48/47/12/556484712.db2.gz NNAHGWZRJHEVSU-ZDUSSCGKSA-N 0 0 448.317 3.118 50 0 IGAARN CSCC[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1nc2ccccc2[nH]1 ZINC000029973921 556487638 /nfs/dbraw/zinc/48/76/38/556487638.db2.gz VKSDGTGOQHHERG-SFHVURJKSA-N 0 0 425.489 3.023 50 0 IGAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000032876695 556489473 /nfs/dbraw/zinc/48/94/73/556489473.db2.gz QRUYORFZXRHIMR-UHFFFAOYSA-N 0 0 441.987 3.048 50 0 IGAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000030030308 556489814 /nfs/dbraw/zinc/48/98/14/556489814.db2.gz LYACIRHYYGFTGC-GOSISDBHSA-N 0 0 446.477 3.208 50 0 IGAARN Cc1ccc2c(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)oc2c1C ZINC000015048286 556490211 /nfs/dbraw/zinc/49/02/11/556490211.db2.gz TVQBBROBIOPDPC-QFIPXVFZSA-N 0 0 434.492 3.036 50 0 IGAARN COc1ccc(-c2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cs2)cc1 ZINC000030064513 556490621 /nfs/dbraw/zinc/49/06/21/556490621.db2.gz QYAGXOLKXGVDBR-UHFFFAOYSA-N 0 0 443.550 3.272 50 0 IGAARN CCOc1cc([C@H]2NS(=O)(=O)N=C3CCCN32)ccc1OCCOc1cccc(C)c1 ZINC000013149201 556490970 /nfs/dbraw/zinc/49/09/70/556490970.db2.gz ABJZVSNKJDHMPX-QFIPXVFZSA-N 0 0 445.541 3.192 50 0 IGAARN CCOC(=O)[C@@H]1CSCCN1C(=O)COc1ccc2ccccc2c1Br ZINC000030253126 556492077 /nfs/dbraw/zinc/49/20/77/556492077.db2.gz NOMUWPVNQJVHMQ-HNNXBMFYSA-N 0 0 438.343 3.488 50 0 IGAARN O=C(CC[C@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015065412 556492466 /nfs/dbraw/zinc/49/24/66/556492466.db2.gz RODKYDHJIMIOLR-XMMPIXPASA-N 0 0 449.595 3.429 50 0 IGAARN CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 ZINC000030346312 556493292 /nfs/dbraw/zinc/49/32/92/556493292.db2.gz HIOMNEDTYGEABA-UHFFFAOYSA-N 0 0 425.407 3.212 50 0 IGAARN C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030516611 556496124 /nfs/dbraw/zinc/49/61/24/556496124.db2.gz KRBURHXJQVETTM-UHFFFAOYSA-N 0 0 443.594 3.469 50 0 IGAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013164478 556496444 /nfs/dbraw/zinc/49/64/44/556496444.db2.gz WOVSVWMKRFWEKB-UHFFFAOYSA-N 0 0 426.476 3.008 50 0 IGAARN CC(C)n1nnnc1SCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000013164683 556497115 /nfs/dbraw/zinc/49/71/15/556497115.db2.gz WUKWXYCUWLHBSJ-UHFFFAOYSA-N 0 0 431.543 3.412 50 0 IGAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 ZINC000015073430 556497724 /nfs/dbraw/zinc/49/77/24/556497724.db2.gz CABVPVTUKMDCFG-QHCPKHFHSA-N 0 0 436.499 3.082 50 0 IGAARN O=C(CCc1cn2ccccc2n1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000015073662 556497771 /nfs/dbraw/zinc/49/77/71/556497771.db2.gz ZJLNOFAXTKXFOF-NRFANRHFSA-N 0 0 435.547 3.219 50 0 IGAARN COC(=O)CCCC[C@@H]1SC[C@H](NC(=O)c2ccccc2)[C@@H]1NC(=O)c1ccccc1 ZINC000015080939 556501007 /nfs/dbraw/zinc/50/10/07/556501007.db2.gz RUKOTNUTYIZDQC-ONTIZHBOSA-N 0 0 440.565 3.432 50 0 IGAARN CC(C)(C)c1ccc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)cc1 ZINC000015081830 556501275 /nfs/dbraw/zinc/50/12/75/556501275.db2.gz BQPKCYXCEHIWHZ-UHFFFAOYSA-N 0 0 428.514 3.021 50 0 IGAARN CSc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3cccnc3)n2)cc1 ZINC000030674286 556501772 /nfs/dbraw/zinc/50/17/72/556501772.db2.gz SFHOGQXICANGQZ-UHFFFAOYSA-N 0 0 434.568 3.234 50 0 IGAARN O=C1N[C@H](c2ccccc2OC(F)F)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013303832 556502076 /nfs/dbraw/zinc/50/20/76/556502076.db2.gz WWOUEXDQFSZTBZ-LBTNJELSSA-N 0 0 430.329 3.392 50 0 IGAARN COc1cc(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1OC ZINC000013370681 556503408 /nfs/dbraw/zinc/50/34/08/556503408.db2.gz SXJYEACVCCADDJ-UHFFFAOYSA-N 0 0 449.345 3.433 50 0 IGAARN Cc1cccn2c(=O)c(C=C3SC(=S)NC3=O)c(NCCCn3ccnc3)nc12 ZINC000013403856 556504517 /nfs/dbraw/zinc/50/45/17/556504517.db2.gz ZOTIFGZZUCDPIS-UVTDQMKNSA-N 0 0 426.527 3.031 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC(C)CC3)c2)CC1 ZINC000013426683 556505959 /nfs/dbraw/zinc/50/59/59/556505959.db2.gz GBLCYKILMDJGLR-UHFFFAOYSA-N 0 0 435.011 3.181 50 0 IGAARN Cc1ccc(-c2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)n(-c3ccccc3)n2)cc1 ZINC000032885662 556510261 /nfs/dbraw/zinc/51/02/61/556510261.db2.gz HVDABZAXOVXSTI-UHFFFAOYSA-N 0 0 438.553 3.458 50 0 IGAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)s1 ZINC000015194349 556510408 /nfs/dbraw/zinc/51/04/08/556510408.db2.gz IGQGEEJNLBWXGZ-UHFFFAOYSA-N 0 0 436.555 3.191 50 0 IGAARN C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032885772 556510511 /nfs/dbraw/zinc/51/05/11/556510511.db2.gz HSSQGQGNLWKDFH-AWEZNQCLSA-N 0 0 449.463 3.190 50 0 IGAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)C1 ZINC000013518833 556511739 /nfs/dbraw/zinc/51/17/39/556511739.db2.gz YOABSTDTTRRAEY-ROUUACIJSA-N 0 0 441.553 3.099 50 0 IGAARN COc1cc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000032895632 556515420 /nfs/dbraw/zinc/51/54/20/556515420.db2.gz ZPQJXMCEDRVXHQ-HDICACEKSA-N 0 0 434.558 3.060 50 0 IGAARN CCOC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2OC)C1=O ZINC000013556386 556516495 /nfs/dbraw/zinc/51/64/95/556516495.db2.gz VRKWVIVRWREXLY-HXUWFJFHSA-N 0 0 435.402 3.489 50 0 IGAARN CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCN3CCOCC3)c(Cl)cc12 ZINC000013557552 556517529 /nfs/dbraw/zinc/51/75/29/556517529.db2.gz JNVLHMRMVGVGDA-OAHLLOKOSA-N 0 0 436.936 3.005 50 0 IGAARN Cc1ccccc1OCCN(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000032899009 556517812 /nfs/dbraw/zinc/51/78/12/556517812.db2.gz SNADXZTUECTJPM-UHFFFAOYSA-N 0 0 444.329 3.395 50 0 IGAARN CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(OC)nc2)[C@H]1c1ccccc1OC ZINC000032889826 556518960 /nfs/dbraw/zinc/51/89/60/556518960.db2.gz RUPREFDQXUREJC-WMZHIEFXSA-N 0 0 425.529 3.495 50 0 IGAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)c1 ZINC000032891628 556519612 /nfs/dbraw/zinc/51/96/12/556519612.db2.gz REZHRHNQSHIIJI-UHFFFAOYSA-N 0 0 439.537 3.359 50 0 IGAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O ZINC000013568089 556520637 /nfs/dbraw/zinc/52/06/37/556520637.db2.gz KFCXAXDYXGGYIQ-SFHVURJKSA-N 0 0 441.553 3.161 50 0 IGAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000013568383 556520992 /nfs/dbraw/zinc/52/09/92/556520992.db2.gz NZGYAUCNHZKCCN-UHFFFAOYSA-N 0 0 434.583 3.134 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 ZINC000032893376 556521031 /nfs/dbraw/zinc/52/10/31/556521031.db2.gz ZTQISZLUDZKZHL-UHFFFAOYSA-N 0 0 425.514 3.137 50 0 IGAARN O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)N1CCCC1 ZINC000013570282 556521784 /nfs/dbraw/zinc/52/17/84/556521784.db2.gz LKXBRKXZPHKAEF-UHFFFAOYSA-N 0 0 438.915 3.355 50 0 IGAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000015435630 556527574 /nfs/dbraw/zinc/52/75/74/556527574.db2.gz PMPGGGCNVPYDQI-HNNXBMFYSA-N 0 0 434.370 3.427 50 0 IGAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000032091784 556528470 /nfs/dbraw/zinc/52/84/70/556528470.db2.gz HBUWIJPUGFUYIJ-ZDUSSCGKSA-N 0 0 438.841 3.329 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000013591014 556529049 /nfs/dbraw/zinc/52/90/49/556529049.db2.gz SLXLNCGIXBHXDF-UBXANZILSA-N 0 0 436.508 3.246 50 0 IGAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccccc1)CCCS3 ZINC000013591626 556529790 /nfs/dbraw/zinc/52/97/90/556529790.db2.gz YWAUQZXKKSLHML-UHFFFAOYSA-N 0 0 434.521 3.172 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cnc4ccccc4c3)c2)C[C@H](C)O1 ZINC000032900699 556530194 /nfs/dbraw/zinc/53/01/94/556530194.db2.gz WNSKZWFNENETGE-IYBDPMFKSA-N 0 0 425.510 3.285 50 0 IGAARN O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 ZINC000013592995 556530947 /nfs/dbraw/zinc/53/09/47/556530947.db2.gz GVFFBXHRBNZKCY-UHFFFAOYSA-N 0 0 449.935 3.468 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000013603264 556532998 /nfs/dbraw/zinc/53/29/98/556532998.db2.gz YJXCNIJXRYNMRH-POICLYKASA-N 0 0 446.528 3.082 50 0 IGAARN Cc1cc(Br)c(NC(=O)COC(=O)c2ccc[nH]c2=O)c(Br)c1 ZINC000015587229 556536138 /nfs/dbraw/zinc/53/61/38/556536138.db2.gz RJXVZKKHLZDHHL-UHFFFAOYSA-N 0 0 444.079 3.004 50 0 IGAARN Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccccc3CN3C(=O)CNC3=O)n2)cc1F ZINC000032901672 556537197 /nfs/dbraw/zinc/53/71/97/556537197.db2.gz QPEHSDBITZIKGK-ZDUSSCGKSA-N 0 0 438.415 3.154 50 0 IGAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000011084025 556537199 /nfs/dbraw/zinc/53/71/99/556537199.db2.gz XKVOSIOJRNRUCY-UHFFFAOYSA-N 0 0 432.553 3.446 50 0 IGAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccoc3)sc2=N1 ZINC000032476152 556537963 /nfs/dbraw/zinc/53/79/63/556537963.db2.gz LOXHYEMNCBBPFA-VOSMRYOYSA-N 0 0 441.512 3.467 50 0 IGAARN COc1ccc(CC(=O)OCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c(OC)c1 ZINC000032903422 556539591 /nfs/dbraw/zinc/53/95/91/556539591.db2.gz NLJXONQKBPACLB-UHFFFAOYSA-N 0 0 427.482 3.402 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cnc4ccccc43)C2)s1 ZINC000032903792 556540651 /nfs/dbraw/zinc/54/06/51/556540651.db2.gz CQIIYGFWTUCFQV-QGZVFWFLSA-N 0 0 446.598 3.013 50 0 IGAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C ZINC000032579607 556541523 /nfs/dbraw/zinc/54/15/23/556541523.db2.gz XESVPFCHJFZPKS-UHFFFAOYSA-N 0 0 431.468 3.314 50 0 IGAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(O)c1 ZINC000032579366 556541560 /nfs/dbraw/zinc/54/15/60/556541560.db2.gz GGSHVYHYLIXXNA-UHFFFAOYSA-N 0 0 425.514 3.224 50 0 IGAARN CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2cccc(F)c2)cc1 ZINC000032904754 556544627 /nfs/dbraw/zinc/54/46/27/556544627.db2.gz ICPSLSBMSBVWDW-LJQANCHMSA-N 0 0 434.533 3.295 50 0 IGAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000032905097 556550169 /nfs/dbraw/zinc/55/01/69/556550169.db2.gz CWQYQCFYAMXSCL-JOCHJYFZSA-N 0 0 446.569 3.377 50 0 IGAARN CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000032906332 556552196 /nfs/dbraw/zinc/55/21/96/556552196.db2.gz DYOZWPVWWMPZET-UHFFFAOYSA-N 0 0 426.510 3.142 50 0 IGAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000072305260 556553326 /nfs/dbraw/zinc/55/33/26/556553326.db2.gz WNXMTJVEDCKOHM-KBPBESRZSA-N 0 0 441.619 3.137 50 0 IGAARN CSc1nc2nc(C)c(CC(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000015817615 556553583 /nfs/dbraw/zinc/55/35/83/556553583.db2.gz IFBDCPYDNVQOJO-FQEVSTJZSA-N 0 0 441.557 3.290 50 0 IGAARN CCOC(=O)Cn1nc(SCC)n2c1nc1c(c2=O)[C@](C)(CC)Cc2ccccc2-1 ZINC000015839142 556556342 /nfs/dbraw/zinc/55/63/42/556556342.db2.gz ADFGXHOKJYZBMB-JOCHJYFZSA-N 0 0 426.542 3.457 50 0 IGAARN Cc1noc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)n1 ZINC000032905740 556556366 /nfs/dbraw/zinc/55/63/66/556556366.db2.gz PTVNIWGJHOLBMS-JTQLQIEISA-N 0 0 446.510 3.015 50 0 IGAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccnc2SCC(F)(F)F)cc1 ZINC000032905741 556556399 /nfs/dbraw/zinc/55/63/99/556556399.db2.gz UAGMLVSBIOZMKS-UHFFFAOYSA-N 0 0 441.431 3.233 50 0 IGAARN CCC[C@](C)(CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C1OCCO1 ZINC000072306519 556557977 /nfs/dbraw/zinc/55/79/77/556557977.db2.gz YZEUCNPJJGSHMO-OPAMFIHVSA-N 0 0 438.590 3.087 50 0 IGAARN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000015869524 556560043 /nfs/dbraw/zinc/56/00/43/556560043.db2.gz KNXDLMKOOVQEDD-OAHLLOKOSA-N 0 0 432.542 3.451 50 0 IGAARN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccc2c[nH]nc21 ZINC000072306770 556560366 /nfs/dbraw/zinc/56/03/66/556560366.db2.gz ZXRRUMDCZHHPLX-QGZVFWFLSA-N 0 0 441.285 3.321 50 0 IGAARN COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000015898312 556562247 /nfs/dbraw/zinc/56/22/47/556562247.db2.gz 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COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015998900 556572049 /nfs/dbraw/zinc/57/20/49/556572049.db2.gz KMTHTDBHFABFEG-LJQANCHMSA-N 0 0 435.446 3.321 50 0 IGAARN O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015999226 556572472 /nfs/dbraw/zinc/57/24/72/556572472.db2.gz FBZCIMOIZKPVIV-BOCITWAFSA-N 0 0 441.462 3.410 50 0 IGAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016001502 556572743 /nfs/dbraw/zinc/57/27/43/556572743.db2.gz KKLZCNMVZQZMPF-YDLHNXBPSA-N 0 0 435.911 3.075 50 0 IGAARN O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000016046179 556580147 /nfs/dbraw/zinc/58/01/47/556580147.db2.gz DBOOIYALGKRDMK-UHFFFAOYSA-N 0 0 434.901 3.220 50 0 IGAARN O=C(NCc1ccccc1F)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016046167 556580195 /nfs/dbraw/zinc/58/01/95/556580195.db2.gz VOLVWTLYBHGZCV-UHFFFAOYSA-N 0 0 442.468 3.328 50 0 IGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000016050280 556580744 /nfs/dbraw/zinc/58/07/44/556580744.db2.gz ILNYXISELHTRPG-HXUWFJFHSA-N 0 0 430.526 3.281 50 0 IGAARN CC[C@@H](C)N(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000016050719 556581079 /nfs/dbraw/zinc/58/10/79/556581079.db2.gz JKCFKRTZVIRXJX-CRAIPNDOSA-N 0 0 448.614 3.051 50 0 IGAARN CCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccncc1 ZINC000016051011 556581288 /nfs/dbraw/zinc/58/12/88/556581288.db2.gz VZRCOLPMHZILOD-UHFFFAOYSA-N 0 0 438.557 3.132 50 0 IGAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000016084460 556581999 /nfs/dbraw/zinc/58/19/99/556581999.db2.gz AYHKIOQVYYSUFY-CYBMUJFWSA-N 0 0 445.946 3.270 50 0 IGAARN CCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788166 556582325 /nfs/dbraw/zinc/58/23/25/556582325.db2.gz BDPFVRNLVGCKRG-QHCPKHFHSA-N 0 0 429.561 3.306 50 0 IGAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000034807519 556582958 /nfs/dbraw/zinc/58/29/58/556582958.db2.gz KKLZCNMVZQZMPF-FVJVTNMWSA-N 0 0 435.911 3.075 50 0 IGAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109525 556583274 /nfs/dbraw/zinc/58/32/74/556583274.db2.gz PTWXZFJYGSCJCV-SJLPKXTDSA-N 0 0 429.542 3.211 50 0 IGAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109528 556583312 /nfs/dbraw/zinc/58/33/12/556583312.db2.gz PTWXZFJYGSCJCV-WMZOPIPTSA-N 0 0 429.542 3.211 50 0 IGAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000034862079 556584399 /nfs/dbraw/zinc/58/43/99/556584399.db2.gz JBINPZASLNSOJR-UHFFFAOYSA-N 0 0 447.532 3.336 50 0 IGAARN CSc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000032913191 556587427 /nfs/dbraw/zinc/58/74/27/556587427.db2.gz CLLMEFONOMOZOZ-UHFFFAOYSA-N 0 0 447.564 3.342 50 0 IGAARN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000016188841 556588535 /nfs/dbraw/zinc/58/85/35/556588535.db2.gz 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COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)N(C)C ZINC000032983082 556601461 /nfs/dbraw/zinc/60/14/61/556601461.db2.gz YDXHZISEMXFAKZ-NRFANRHFSA-N 0 0 434.540 3.164 50 0 IGAARN C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)Nc1ccc(F)cc1Cl ZINC000016366443 556603391 /nfs/dbraw/zinc/60/33/91/556603391.db2.gz QIJHIBNQYKZSID-JTQLQIEISA-N 0 0 439.852 3.318 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000016393505 556604798 /nfs/dbraw/zinc/60/47/98/556604798.db2.gz VEOIRRVAKJAQGO-UHFFFAOYSA-N 0 0 432.951 3.180 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000032986221 556605743 /nfs/dbraw/zinc/60/57/43/556605743.db2.gz UWMQXRWVDHLMGX-FOIQADDNSA-N 0 0 430.526 3.196 50 0 IGAARN CC[C@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000016427261 556606833 /nfs/dbraw/zinc/60/68/33/556606833.db2.gz GQSOHIVPPAECQI-QHCPKHFHSA-N 0 0 443.613 3.267 50 0 IGAARN COc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000032987200 556609498 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CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCCC1 ZINC000016650012 556620401 /nfs/dbraw/zinc/62/04/01/556620401.db2.gz FXHRGJMLAZVUHQ-UHFFFAOYSA-N 0 0 445.610 3.155 50 0 IGAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000100563726 556620659 /nfs/dbraw/zinc/62/06/59/556620659.db2.gz VCFSAPQHUUBITR-RDJZCZTQSA-N 0 0 432.263 3.291 50 0 IGAARN CCCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000033675132 556620726 /nfs/dbraw/zinc/62/07/26/556620726.db2.gz SIYMBGZVSUNGIR-UHFFFAOYSA-N 0 0 436.574 3.195 50 0 IGAARN O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000016661393 556621186 /nfs/dbraw/zinc/62/11/86/556621186.db2.gz SRASCNUUNNXYIJ-UHFFFAOYSA-N 0 0 430.533 3.381 50 0 IGAARN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000033681224 556621223 /nfs/dbraw/zinc/62/12/23/556621223.db2.gz ZMVBONIBDHLKOQ-ATVHPVEESA-N 0 0 429.523 3.260 50 0 IGAARN COc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1OC ZINC000033681029 556621289 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50 0 IGAARN O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000033748588 556629865 /nfs/dbraw/zinc/62/98/65/556629865.db2.gz RFWZMTXXWDBZKD-UHFFFAOYSA-N 0 0 435.549 3.445 50 0 IGAARN COc1ccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)cc1OC ZINC000016728847 556630946 /nfs/dbraw/zinc/63/09/46/556630946.db2.gz BYKJBQXWUHKKJJ-UDWIEESQSA-N 0 0 437.521 3.418 50 0 IGAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccco5)nn4c3=O)o2)cc1 ZINC000016735817 556633355 /nfs/dbraw/zinc/63/33/55/556633355.db2.gz DSBWQNRLARXQRT-PDGQHHTCSA-N 0 0 433.445 3.395 50 0 IGAARN Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc(C)c1C ZINC000033770415 556633352 /nfs/dbraw/zinc/63/33/52/556633352.db2.gz FGQALTYLWUPMGT-UHFFFAOYSA-N 0 0 434.587 3.307 50 0 IGAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCCN1CCOCC1)C3=O ZINC000016741878 556635751 /nfs/dbraw/zinc/63/57/51/556635751.db2.gz ZBVBHNIYLWDEBI-QHCPKHFHSA-N 0 0 448.519 3.383 50 0 IGAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NC3CC3)o2)c1 ZINC000037428328 556638565 /nfs/dbraw/zinc/63/85/65/556638565.db2.gz LDGKEYYFEFFCEU-GYHWCHFESA-N 0 0 425.510 3.450 50 0 IGAARN COCc1nn2c(nnc3c2ccn(C[C@H]2CCCO2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396223 556639022 /nfs/dbraw/zinc/63/90/22/556639022.db2.gz JCGQMKCQRGGNGX-OAHLLOKOSA-N 0 0 425.876 3.085 50 0 IGAARN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000409415225 556641680 /nfs/dbraw/zinc/64/16/80/556641680.db2.gz XJPWPPNBGMAUGL-DLBZAZTESA-N 0 0 440.887 3.419 50 0 IGAARN COc1cccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016806422 556644131 /nfs/dbraw/zinc/64/41/31/556644131.db2.gz ZGRHXURLMDAKKI-KRWDZBQOSA-N 0 0 438.343 3.287 50 0 IGAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000016822450 556644945 /nfs/dbraw/zinc/64/49/45/556644945.db2.gz XIMRMDNVPBKEBZ-GFCCVEGCSA-N 0 0 446.916 3.238 50 0 IGAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1OC ZINC000016842806 556646322 /nfs/dbraw/zinc/64/63/22/556646322.db2.gz QAYGNVDJOAZSPH-UHFFFAOYSA-N 0 0 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ZINC000011758286 556652539 /nfs/dbraw/zinc/65/25/39/556652539.db2.gz BLFGNJKPZFXKRC-UHFFFAOYSA-N 0 0 432.864 3.372 50 0 IGAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000011758475 556653004 /nfs/dbraw/zinc/65/30/04/556653004.db2.gz MTNABXXMZHCGMJ-UHFFFAOYSA-N 0 0 430.415 3.418 50 0 IGAARN COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)c(OC)c1 ZINC000011758610 556653242 /nfs/dbraw/zinc/65/32/42/556653242.db2.gz BNCYIBFZJQNGND-UHFFFAOYSA-N 0 0 440.460 3.098 50 0 IGAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000032999790 556653486 /nfs/dbraw/zinc/65/34/86/556653486.db2.gz HPPRPVFAYOIQIZ-UHFFFAOYSA-N 0 0 431.448 3.165 50 0 IGAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000017042684 556653880 /nfs/dbraw/zinc/65/38/80/556653880.db2.gz GWQBUSSXIXLNKZ-NSHDSACASA-N 0 0 439.465 3.196 50 0 IGAARN CCOc1cccc2cc(C(=O)Nc3c(C)nc4sc(C)c(C)n4c3=O)c(=O)oc21 ZINC000011769021 556654168 /nfs/dbraw/zinc/65/41/68/556654168.db2.gz GUBIFKDEWWZNFM-UHFFFAOYSA-N 0 0 425.466 3.439 50 0 IGAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)n2C)c1C ZINC000033007483 556656429 /nfs/dbraw/zinc/65/64/29/556656429.db2.gz CIIQGTJBKTXJBN-UHFFFAOYSA-N 0 0 449.536 3.244 50 0 IGAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(N(C)C)c3)n2C)c1 ZINC000017095493 556659092 /nfs/dbraw/zinc/65/90/92/556659092.db2.gz XVUURARBIYCSMG-UHFFFAOYSA-N 0 0 427.530 3.296 50 0 IGAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(=O)c2c[nH]c3ccccc32)n1 ZINC000011854465 556661679 /nfs/dbraw/zinc/66/16/79/556661679.db2.gz WNHMLPOVCFLXFX-UHFFFAOYSA-N 0 0 444.476 3.295 50 0 IGAARN CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2 ZINC000011852863 556662638 /nfs/dbraw/zinc/66/26/38/556662638.db2.gz ODEQNTMBOGCIHE-UHFFFAOYSA-N 0 0 426.494 3.428 50 0 IGAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1C(C)(C)C ZINC000011858083 556662983 /nfs/dbraw/zinc/66/29/83/556662983.db2.gz YFQBRDVZVNUYPX-UHFFFAOYSA-N 0 0 436.555 3.160 50 0 IGAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000011858277 556663545 /nfs/dbraw/zinc/66/35/45/556663545.db2.gz APJXUZQQIMKASJ-UHFFFAOYSA-N 0 0 436.555 3.294 50 0 IGAARN O=C(c1cc(-c2cccc(Br)c2)n[nH]1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000017099367 556664712 /nfs/dbraw/zinc/66/47/12/556664712.db2.gz OEPNUDXEKAOWHZ-OAHLLOKOSA-N 0 0 435.175 3.260 50 0 IGAARN COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)no2)c(OC)c1 ZINC000044417937 556669542 /nfs/dbraw/zinc/66/95/42/556669542.db2.gz ZDAMYIFYIDBKON-ZDUSSCGKSA-N 0 0 425.441 3.292 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCCC3)C[C@@H](C)CC2 ZINC000011905512 556670901 /nfs/dbraw/zinc/67/09/01/556670901.db2.gz HXRDSFKYJKIMPD-NSHDSACASA-N 0 0 447.582 3.352 50 0 IGAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCCCN4CCOCC4)cc3)ccc12 ZINC000017171299 556671356 /nfs/dbraw/zinc/67/13/56/556671356.db2.gz SFFGHPQKAWXPKQ-UHFFFAOYSA-N 0 0 436.508 3.133 50 0 IGAARN CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000011916638 556673239 /nfs/dbraw/zinc/67/32/39/556673239.db2.gz 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CC(C)(C)C(=O)COC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018081210 556683362 /nfs/dbraw/zinc/68/33/62/556683362.db2.gz QVNIUWFWEPTDCS-MYNGYRLFSA-N 0 0 431.488 3.037 50 0 IGAARN CC(C)CC(=O)Nc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000060322839 556685114 /nfs/dbraw/zinc/68/51/14/556685114.db2.gz QPWOFGUWAPZPLS-GOSISDBHSA-N 0 0 449.598 3.202 50 0 IGAARN Cc1ccc(CNC(=O)C[C@@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000046005602 556689819 /nfs/dbraw/zinc/68/98/19/556689819.db2.gz WASGKXKGYSATOR-KRWDZBQOSA-N 0 0 433.487 3.213 50 0 IGAARN COc1ccc(CCNC(=O)C[C@H]2NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000252485512 556690156 /nfs/dbraw/zinc/69/01/56/556690156.db2.gz GXHHAKLPNYTXPB-LJQANCHMSA-N 0 0 439.512 3.205 50 0 IGAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)c1ccccc1Cl ZINC000032937495 556690255 /nfs/dbraw/zinc/69/02/55/556690255.db2.gz NQELHQQKCWCVPX-SFHVURJKSA-N 0 0 437.949 3.105 50 0 IGAARN CCOC(=O)CSC1=Nc2ccccc2C2=NC3=NNC(c4ccccc4)=CC3=NN12 ZINC000032937962 556690838 /nfs/dbraw/zinc/69/08/38/556690838.db2.gz AZVMGEBAQXAALS-UHFFFAOYSA-N 0 0 430.493 3.360 50 0 IGAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1 ZINC000000814608 556698807 /nfs/dbraw/zinc/69/88/07/556698807.db2.gz AAZYAZXEJBKHDN-UHFFFAOYSA-N 0 0 437.949 3.041 50 0 IGAARN O=C1[C@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000019171371 556707434 /nfs/dbraw/zinc/70/74/34/556707434.db2.gz AIYWZKPBBLQASD-BZSNNMDCSA-N 0 0 430.277 3.124 50 0 IGAARN CC[C@@H](C)N(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)Cc1cc(OC)ccc1OC ZINC000036082617 556713091 /nfs/dbraw/zinc/71/30/91/556713091.db2.gz RIFIRSHWZGIBRL-APWZRJJASA-N 0 0 431.533 3.401 50 0 IGAARN O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)C1(N2CCOCC2)CCCCC1 ZINC000019224702 556716590 /nfs/dbraw/zinc/71/65/90/556716590.db2.gz ARBGMGRSMXZTQE-OAQYLSRUSA-N 0 0 439.531 3.343 50 0 IGAARN Cc1cc(C)n(CCN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)n1 ZINC000019223987 556716615 /nfs/dbraw/zinc/71/66/15/556716615.db2.gz 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CN(Cc1nnc(SCCOc2ccccc2)n1C)Cc1ccc2c(c1)OCCO2 ZINC000055166420 556736591 /nfs/dbraw/zinc/73/65/91/556736591.db2.gz GSAKXBLIJIANBM-UHFFFAOYSA-N 0 0 426.542 3.389 50 0 IGAARN COCCn1c(CN2CCCC[C@@H]2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C ZINC000055168970 556736844 /nfs/dbraw/zinc/73/68/44/556736844.db2.gz JWTCMTDMRSSPTJ-HXUWFJFHSA-N 0 0 434.606 3.472 50 0 IGAARN COc1ccc(OC)c(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000055198324 556737547 /nfs/dbraw/zinc/73/75/47/556737547.db2.gz OOURECOPWXANJP-FQEVSTJZSA-N 0 0 427.520 3.270 50 0 IGAARN Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc(F)c(Cl)c3)n2)cc1 ZINC000013798960 556741524 /nfs/dbraw/zinc/74/15/24/556741524.db2.gz BRFMRTJIEYPBON-UHFFFAOYSA-N 0 0 435.908 3.380 50 0 IGAARN COc1cc(C)c(C)cc1S(=O)(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000013799535 556742758 /nfs/dbraw/zinc/74/27/58/556742758.db2.gz JHFDKMMWDGTWJQ-UHFFFAOYSA-N 0 0 445.516 3.043 50 0 IGAARN Cc1cc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl ZINC000019363096 556745709 /nfs/dbraw/zinc/74/57/09/556745709.db2.gz VTZCIHKDUMFUMN-IBGZPJMESA-N 0 0 432.948 3.243 50 0 IGAARN CCOC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1)c1cccc(OC)c1 ZINC000057994081 556751421 /nfs/dbraw/zinc/75/14/21/556751421.db2.gz MYKCPDUWLSKZJR-PZJWPPBQSA-N 0 0 438.524 3.421 50 0 IGAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000058004230 556752402 /nfs/dbraw/zinc/75/24/02/556752402.db2.gz OCPMPERQTWIDRR-HXUWFJFHSA-N 0 0 427.497 3.347 50 0 IGAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000058004039 556752410 /nfs/dbraw/zinc/75/24/10/556752410.db2.gz YIWMDYQYYXPEFF-GFCCVEGCSA-N 0 0 427.448 3.114 50 0 IGAARN O=C(CSc1nc2ccccc2s1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011156982 556752727 /nfs/dbraw/zinc/75/27/27/556752727.db2.gz DJFWIIPJNLSLLA-UHFFFAOYSA-N 0 0 447.607 3.358 50 0 IGAARN C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1F ZINC000011158509 556752763 /nfs/dbraw/zinc/75/27/63/556752763.db2.gz MCKYIXZCYLLWQV-LLVKDONJSA-N 0 0 437.370 3.408 50 0 IGAARN CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)CC1 ZINC000058108003 556758670 /nfs/dbraw/zinc/75/86/70/556758670.db2.gz CDHKMBJBOBAGTJ-UHFFFAOYSA-N 0 0 440.426 3.371 50 0 IGAARN CNC(=O)CN1CCN(c2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000058143451 556761443 /nfs/dbraw/zinc/76/14/43/556761443.db2.gz OUUBFEHZYNZAAR-UHFFFAOYSA-N 0 0 441.626 3.468 50 0 IGAARN COc1cccc(-c2cn(CC(=O)NCc3ccc(C)c(C)c3)nc2N2CCOCC2)c1 ZINC000062006959 556765124 /nfs/dbraw/zinc/76/51/24/556765124.db2.gz YQPXNFNTIAWHES-UHFFFAOYSA-N 0 0 434.540 3.329 50 0 IGAARN CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000019476390 556768487 /nfs/dbraw/zinc/76/84/87/556768487.db2.gz AJLMFUMCFDNMOW-UHFFFAOYSA-N 0 0 428.466 3.479 50 0 IGAARN O=C(CSc1nc2ccsc2c(=O)n1CCO)Nc1ccccc1C(F)(F)F ZINC000206597359 556770451 /nfs/dbraw/zinc/77/04/51/556770451.db2.gz AOGULPIATWUVTE-UHFFFAOYSA-N 0 0 429.445 3.200 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1 ZINC000058202353 556771347 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Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCN3CCOCC3)o2)cc1 ZINC000023118478 557064556 /nfs/dbraw/zinc/06/45/56/557064556.db2.gz KIYIRPZIZHKHQQ-UHFFFAOYSA-N 0 0 445.516 3.366 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000017344752 557066797 /nfs/dbraw/zinc/06/67/97/557066797.db2.gz PLHCTIHPWCFKEZ-UHFFFAOYSA-N 0 0 447.607 3.256 50 0 IGAARN CC(C)C[C@@H](C(=O)Nc1cccc(CN2CCOCC2)c1)N1C(=O)c2ccccc2C1=O ZINC000048312309 557066925 /nfs/dbraw/zinc/06/69/25/557066925.db2.gz TXJLNSKQKNXMNB-QFIPXVFZSA-N 0 0 435.524 3.168 50 0 IGAARN O=S(=O)(c1cn(Cc2noc(/C=C/c3ccccc3Cl)n2)cn1)N1CCCCC1 ZINC000033281591 557067488 /nfs/dbraw/zinc/06/74/88/557067488.db2.gz DBCKQNLWGNBAHV-CMDGGOBGSA-N 0 0 433.921 3.313 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1 ZINC000033282745 557068043 /nfs/dbraw/zinc/06/80/43/557068043.db2.gz TWXMRVNHAZCMTI-UHFFFAOYSA-N 0 0 441.553 3.283 50 0 IGAARN COC(=O)c1cc(CNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)ccc1OC ZINC000048333119 557068177 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COc1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1OC ZINC000048987861 557082897 /nfs/dbraw/zinc/08/28/97/557082897.db2.gz PBLYMPQUZYTVCV-UHFFFAOYSA-N 0 0 427.888 3.196 50 0 IGAARN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1Br ZINC000023303179 557082985 /nfs/dbraw/zinc/08/29/85/557082985.db2.gz JQVQGNDCHYUXMC-UHFFFAOYSA-N 0 0 430.346 3.140 50 0 IGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000023330113 557084374 /nfs/dbraw/zinc/08/43/74/557084374.db2.gz YJOPCJQEGQUUAY-MRXNPFEDSA-N 0 0 435.977 3.480 50 0 IGAARN Cc1ccc(Oc2nccn3c2nn(CC(=O)N[C@@H](C)CCc2ccccc2)c3=O)cc1 ZINC000049008501 557086493 /nfs/dbraw/zinc/08/64/93/557086493.db2.gz ZBORIQDPJARXCT-SFHVURJKSA-N 0 0 431.496 3.129 50 0 IGAARN CSc1ccc(CNC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1 ZINC000049008488 557086508 /nfs/dbraw/zinc/08/65/08/557086508.db2.gz RSWVEXNWTCOJGI-UHFFFAOYSA-N 0 0 435.509 3.030 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000023362262 557087941 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557106392 /nfs/dbraw/zinc/10/63/92/557106392.db2.gz MMYQBKAUCCRUTE-UHFFFAOYSA-N 0 0 438.509 3.137 50 0 IGAARN O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023211756 557107774 /nfs/dbraw/zinc/10/77/74/557107774.db2.gz YWNAMVBLANJZKB-MRXNPFEDSA-N 0 0 445.279 3.428 50 0 IGAARN COc1cccc(-c2nc3n(c2C(=O)Nc2cc(Cl)ccc2OC)CCS3(=O)=O)c1 ZINC000086069429 557108021 /nfs/dbraw/zinc/10/80/21/557108021.db2.gz VPAPMBCOFSIUQQ-UHFFFAOYSA-N 0 0 447.900 3.260 50 0 IGAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049483824 557109783 /nfs/dbraw/zinc/10/97/83/557109783.db2.gz TWPHQTYAJGDSKY-UHFFFAOYSA-N 0 0 431.417 3.485 50 0 IGAARN COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000409414678 557110073 /nfs/dbraw/zinc/11/00/73/557110073.db2.gz NYTKLSPMXWSDOV-WOJBJXKFSA-N 0 0 432.480 3.185 50 0 IGAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(=O)n(-c2ccccc2)c(=O)[nH]1 ZINC000585150110 557110340 /nfs/dbraw/zinc/11/03/40/557110340.db2.gz ASSTXHOGTFNMPN-UHFFFAOYSA-N 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O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000049590379 557117167 /nfs/dbraw/zinc/11/71/67/557117167.db2.gz VUBNOCVXHCMUFY-QGZVFWFLSA-N 0 0 445.441 3.043 50 0 IGAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cc2c(s1)CCCCC2 ZINC000023805587 557117404 /nfs/dbraw/zinc/11/74/04/557117404.db2.gz GPSXNXZCJSCMPA-UHFFFAOYSA-N 0 0 425.598 3.433 50 0 IGAARN COc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000023819654 557119033 /nfs/dbraw/zinc/11/90/33/557119033.db2.gz ZHRFLBVUJAQJHO-UHFFFAOYSA-N 0 0 444.475 3.099 50 0 IGAARN CC(C)c1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023820015 557119368 /nfs/dbraw/zinc/11/93/68/557119368.db2.gz MXSSJNALCBXZSF-OYLFLEFRSA-N 0 0 437.496 3.183 50 0 IGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000023882156 557123072 /nfs/dbraw/zinc/12/30/72/557123072.db2.gz DPGGJKKQLVFFSS-QFIPXVFZSA-N 0 0 433.577 3.434 50 0 IGAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(F)c1 ZINC000060773639 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O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000025183745 557199010 /nfs/dbraw/zinc/19/90/10/557199010.db2.gz QZSVJSGOWTWMSF-SECBINFHSA-N 0 0 436.378 3.007 50 0 IGAARN CC[C@@H](C(=O)NCc1ccccn1)n1c2ccc(C)cc2c(=O)n(Cc2ccccc2)c1=O ZINC000096318315 557199236 /nfs/dbraw/zinc/19/92/36/557199236.db2.gz REFZMCCVJIHHNQ-QFIPXVFZSA-N 0 0 442.519 3.182 50 0 IGAARN Cc1ccc2c(COC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc(=O)oc2c1 ZINC000025283500 557202460 /nfs/dbraw/zinc/20/24/60/557202460.db2.gz HSOBZRHPVWBCLG-HNNXBMFYSA-N 0 0 447.534 3.307 50 0 IGAARN COc1ccc(OC[C@@H](O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000025306977 557203538 /nfs/dbraw/zinc/20/35/38/557203538.db2.gz IQDAAIJUYXANTK-NRFANRHFSA-N 0 0 439.581 3.376 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)cc1 ZINC000011608345 557207979 /nfs/dbraw/zinc/20/79/79/557207979.db2.gz XGYRJKFMDRAUKC-DEOSSOPVSA-N 0 0 434.496 3.219 50 0 IGAARN Cc1ccc([C@@H](CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)N2CCOCC2)o1 ZINC000025400062 557208198 /nfs/dbraw/zinc/20/81/98/557208198.db2.gz CFNXIXZCPZLPIL-JOCHJYFZSA-N 0 0 445.523 3.184 50 0 IGAARN COc1ccc2nc(NC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)sc2c1 ZINC000025402929 557208215 /nfs/dbraw/zinc/20/82/15/557208215.db2.gz HUOQTICDHJKYRL-UHFFFAOYSA-N 0 0 446.492 3.298 50 0 IGAARN Cn1cc([C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H]3C(=O)NC(=O)[C@@H]32)c2ccccc21 ZINC000011612317 557208576 /nfs/dbraw/zinc/20/85/76/557208576.db2.gz PDJBKKIFEUERCR-RCCFBDPRSA-N 0 0 447.541 3.270 50 0 IGAARN CCCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1nnc(-c2cccs2)o1 ZINC000025407076 557208680 /nfs/dbraw/zinc/20/86/80/557208680.db2.gz MFIDVLDWNVYYHT-UHFFFAOYSA-N 0 0 429.502 3.367 50 0 IGAARN COCCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(-c2cccs2)o1 ZINC000025407584 557208913 /nfs/dbraw/zinc/20/89/13/557208913.db2.gz PAWLHHAQMAOPIR-UHFFFAOYSA-N 0 0 441.962 3.374 50 0 IGAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1 ZINC000011613166 557209299 /nfs/dbraw/zinc/20/92/99/557209299.db2.gz OCWSZLHXBYFUHE-UHFFFAOYSA-N 0 0 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CCCn1nnnc1COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000027119370 557257279 /nfs/dbraw/zinc/25/72/79/557257279.db2.gz ILTUSSRIRYGXJV-UHFFFAOYSA-N 0 0 431.452 3.427 50 0 IGAARN Cc1cc(C)n([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000027194358 557258606 /nfs/dbraw/zinc/25/86/06/557258606.db2.gz XMTHRFQLYFXZSO-IBGZPJMESA-N 0 0 440.569 3.137 50 0 IGAARN O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000027333385 557260509 /nfs/dbraw/zinc/26/05/09/557260509.db2.gz KOIGZKBSUHUKOZ-UHFFFAOYSA-N 0 0 431.418 3.439 50 0 IGAARN COc1cc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(N)=O)ccc1OCC(F)(F)F ZINC000027348186 557260866 /nfs/dbraw/zinc/26/08/66/557260866.db2.gz ZHDUDDVPWYFCQP-BBRMVZONSA-N 0 0 439.434 3.093 50 0 IGAARN O=C(CCNC(=O)c1ccc(F)cc1F)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000027459887 557262507 /nfs/dbraw/zinc/26/25/07/557262507.db2.gz IPQCPASIUPMJJJ-UHFFFAOYSA-N 0 0 439.865 3.222 50 0 IGAARN COc1ccccc1N1C(=O)C[C@@H](SCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000100567252 557264739 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ZINC000009517930 562972722 /nfs/dbraw/zinc/97/27/22/562972722.db2.gz DKOQYWPXSKZUJH-AWEZNQCLSA-N 0 0 441.538 3.226 50 0 IGAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc2c(c1)OCCO2 ZINC000009599784 562973836 /nfs/dbraw/zinc/97/38/36/562973836.db2.gz OUZKPQTYVPHZQS-UHFFFAOYSA-N 0 0 425.495 3.355 50 0 IGAARN CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl ZINC000009693184 562975577 /nfs/dbraw/zinc/97/55/77/562975577.db2.gz WAIUGHNTQOWBFY-AWEZNQCLSA-N 0 0 447.942 3.039 50 0 IGAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000009729873 562976185 /nfs/dbraw/zinc/97/61/85/562976185.db2.gz OTVAJEUTCPXXJG-GFCCVEGCSA-N 0 0 431.445 3.486 50 0 IGAARN Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1Cc1ccccc1 ZINC000009963693 562978092 /nfs/dbraw/zinc/97/80/92/562978092.db2.gz UUEJDHZGEVLEFK-CVDCTZTESA-N 0 0 426.538 3.333 50 0 IGAARN CCc1cc2c(nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccco3)c2=O)s1 ZINC000009970694 562978141 /nfs/dbraw/zinc/97/81/41/562978141.db2.gz 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CCc1cccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1 ZINC000015942612 563019669 /nfs/dbraw/zinc/01/96/69/563019669.db2.gz DXATXVGWDLMDPK-UHFFFAOYSA-N 0 0 434.544 3.249 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000015962827 563020533 /nfs/dbraw/zinc/02/05/33/563020533.db2.gz PWGPTGRFAKTGHH-BEEJXANESA-N 0 0 449.617 3.234 50 0 IGAARN Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000028468752 563055339 /nfs/dbraw/zinc/05/53/39/563055339.db2.gz DDQDRUJGFGVPOL-UHFFFAOYSA-N 0 0 443.569 3.259 50 0 IGAARN Cc1ccc(NC(=O)CNCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000058142192 563143525 /nfs/dbraw/zinc/14/35/25/563143525.db2.gz MMAVXLHKRNERLZ-UHFFFAOYSA-N 0 0 430.357 3.280 50 0 IGAARN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1C(SCc2ccccc2)=N[C@@H]2C=CC=C[C@H]21 ZINC000247753600 568618039 /nfs/dbraw/zinc/61/80/39/568618039.db2.gz XRZZOJLVPRVPEK-STZQEDGTSA-N 0 0 445.544 3.112 50 0 IGAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NCc2ccccc2Cl)cc1 ZINC000051319339 568624185 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CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccc(OC)cc1 ZINC000003623149 568751664 /nfs/dbraw/zinc/75/16/64/568751664.db2.gz PVGUWEWZOSHQSM-QGZVFWFLSA-N 0 0 427.906 3.330 50 0 IGAARN O=C([O-])CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000299754918 568755239 /nfs/dbraw/zinc/75/52/39/568755239.db2.gz CFTKKYPTNQYBSL-SIKLNZKXSA-N 0 0 426.536 3.098 50 0 IGAARN COc1ccc(/C=C/C(=O)N2CCC3(C[C@@H]3C(=O)NCCc3ccccn3)CC2)cc1OC ZINC000299787112 568757561 /nfs/dbraw/zinc/75/75/61/568757561.db2.gz YZTZTYNEZJEFLD-WFNSPDMASA-N 0 0 449.551 3.100 50 0 IGAARN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc(Br)ccc2OC)cc1 ZINC000015327996 568758348 /nfs/dbraw/zinc/75/83/48/568758348.db2.gz RDXGOHMCXIYMML-UHFFFAOYSA-N 0 0 428.304 3.065 50 0 IGAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)c(OC)c1 ZINC000004062182 568760083 /nfs/dbraw/zinc/76/00/83/568760083.db2.gz JVQXUZLBJSBYEW-OYDLWJJNSA-N 0 0 428.529 3.281 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 ZINC000019171078 568760384 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Cc1ccc(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c(N)c1 ZINC000015835325 568843527 /nfs/dbraw/zinc/84/35/27/568843527.db2.gz RUCJXFNXBPINNH-UHFFFAOYSA-N 0 0 439.313 3.348 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000006134522 568845052 /nfs/dbraw/zinc/84/50/52/568845052.db2.gz DEXRHSGUIWXMDY-UHFFFAOYSA-N 0 0 438.619 3.367 50 0 IGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c(Br)c1 ZINC000015866086 568850774 /nfs/dbraw/zinc/85/07/74/568850774.db2.gz JNPUAWIDESBTFC-UHFFFAOYSA-N 0 0 438.347 3.192 50 0 IGAARN CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2C1 ZINC000015880169 568854085 /nfs/dbraw/zinc/85/40/85/568854085.db2.gz MCOSJKGKSHLQNF-UHFFFAOYSA-N 0 0 448.614 3.194 50 0 IGAARN COc1cccc(-c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3n2)c1 ZINC000015881708 568855844 /nfs/dbraw/zinc/85/58/44/568855844.db2.gz FMWVSPRGIJDBOC-UHFFFAOYSA-N 0 0 435.465 3.259 50 0 IGAARN COc1ccccc1CCNC(=O)CSc1nnc2ccc(-c3cccs3)nn21 ZINC000015881728 568856198 /nfs/dbraw/zinc/85/61/98/568856198.db2.gz JXUDUOMTYRRONL-UHFFFAOYSA-N 0 0 425.539 3.312 50 0 IGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000015882170 568856859 /nfs/dbraw/zinc/85/68/59/568856859.db2.gz MKJXDLLNZXNESU-UHFFFAOYSA-N 0 0 440.525 3.180 50 0 IGAARN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882608 568857107 /nfs/dbraw/zinc/85/71/07/568857107.db2.gz XGBDIIATUYOOJK-DEOSSOPVSA-N 0 0 428.536 3.498 50 0 IGAARN Cc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl ZINC000015883530 568857767 /nfs/dbraw/zinc/85/77/67/568857767.db2.gz YOFKGNCTHIFTES-UHFFFAOYSA-N 0 0 446.960 3.448 50 0 IGAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000015992894 568861916 /nfs/dbraw/zinc/86/19/16/568861916.db2.gz LIEZRKTXFCKNDP-WIYYLYMNSA-N 0 0 449.617 3.006 50 0 IGAARN COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)cc1C ZINC000575415035 568862700 /nfs/dbraw/zinc/86/27/00/568862700.db2.gz WUFVSCCLEWYRPF-LJQANCHMSA-N 0 0 443.974 3.208 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000006181394 568868106 /nfs/dbraw/zinc/86/81/06/568868106.db2.gz PAIQEUBXKWFSGH-HNNXBMFYSA-N 0 0 446.598 3.453 50 0 IGAARN COc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1I ZINC000019943371 568869594 /nfs/dbraw/zinc/86/95/94/568869594.db2.gz AVCUIYGOULVWDS-UHFFFAOYSA-N 0 0 429.279 3.047 50 0 IGAARN Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1Cl ZINC000012944781 568870683 /nfs/dbraw/zinc/87/06/83/568870683.db2.gz UBUPOKBQSKCYTL-IBGZPJMESA-N 0 0 441.915 3.337 50 0 IGAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012947333 568871441 /nfs/dbraw/zinc/87/14/41/568871441.db2.gz QNAKGOXSQKVYDJ-ZDUSSCGKSA-N 0 0 442.313 3.333 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1C ZINC000016167796 568872075 /nfs/dbraw/zinc/87/20/75/568872075.db2.gz KOJYTMFFVGLSBE-UHFFFAOYSA-N 0 0 441.480 3.427 50 0 IGAARN O=C(/C=C/c1ccc2ccccc2n1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000006261663 568881176 /nfs/dbraw/zinc/88/11/76/568881176.db2.gz ZNLCWXSZXILGRQ-OGMPJXADSA-N 0 0 433.533 3.393 50 0 IGAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615886 568881345 /nfs/dbraw/zinc/88/13/45/568881345.db2.gz GWJORQSNMLISFE-GKCIPKSASA-N 0 0 435.929 3.257 50 0 IGAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2C)cc1 ZINC000224226473 568885248 /nfs/dbraw/zinc/88/52/48/568885248.db2.gz ZONUHVGTMYMEEA-FGZHOGPDSA-N 0 0 446.569 3.204 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc(OC)c1 ZINC000089267823 568887615 /nfs/dbraw/zinc/88/76/15/568887615.db2.gz RRHCIKIHTITTOD-UHFFFAOYSA-N 0 0 432.542 3.450 50 0 IGAARN COc1ccccc1-c1cn2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2c(=O)[nH]1 ZINC000090591895 568888544 /nfs/dbraw/zinc/88/85/44/568888544.db2.gz HRLRVYAUAWBRSH-UHFFFAOYSA-N 0 0 443.385 3.042 50 0 IGAARN Cc1ccnc(Nc2cc(NCCNC(=O)Nc3ccc4c(c3)OCCO4)nc(C)n2)c1 ZINC000090608017 568890851 /nfs/dbraw/zinc/89/08/51/568890851.db2.gz RBHUSFHIRHZEIH-UHFFFAOYSA-N 0 0 435.488 3.237 50 0 IGAARN COc1ccc(C(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)cc1 ZINC000090610239 568892166 /nfs/dbraw/zinc/89/21/66/568892166.db2.gz AHSVNOWYRRLLSN-UHFFFAOYSA-N 0 0 426.519 3.420 50 0 IGAARN CCCn1c2ccccc2n(CC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1=O ZINC000012983179 568894713 /nfs/dbraw/zinc/89/47/13/568894713.db2.gz GUKLMDIFISMLCX-UHFFFAOYSA-N 0 0 435.311 3.275 50 0 IGAARN COc1ccc(OC)c(CN2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)c1 ZINC000030109198 568895757 /nfs/dbraw/zinc/89/57/57/568895757.db2.gz QHPDMRGDOBWHLG-VMPITWQZSA-N 0 0 435.318 3.417 50 0 IGAARN CC(=O)N(c1nc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cs1)c1ccccc1 ZINC000012994842 568896724 /nfs/dbraw/zinc/89/67/24/568896724.db2.gz IYQAJYRZNZNTSU-UHFFFAOYSA-N 0 0 436.415 3.155 50 0 IGAARN CN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000013010412 568899911 /nfs/dbraw/zinc/89/99/11/568899911.db2.gz KKSYNVHCQDWVBY-UHFFFAOYSA-N 0 0 446.447 3.238 50 0 IGAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1F ZINC000013011566 568901139 /nfs/dbraw/zinc/90/11/39/568901139.db2.gz UASDIFPSLMOVPZ-QGZVFWFLSA-N 0 0 430.592 3.240 50 0 IGAARN CC(=O)N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 ZINC000013012346 568901152 /nfs/dbraw/zinc/90/11/52/568901152.db2.gz HFUZEPMSZKPQPL-UHFFFAOYSA-N 0 0 434.340 3.214 50 0 IGAARN O=C(C[C@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCc1ccccn1 ZINC000524730508 568904138 /nfs/dbraw/zinc/90/41/38/568904138.db2.gz LIQZSJRIQKELPS-KRWDZBQOSA-N 0 0 444.443 3.461 50 0 IGAARN COc1cc([C@@H](CC(=O)NCCc2nc(C)cs2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730693 568904219 /nfs/dbraw/zinc/90/42/19/568904219.db2.gz STVHPKILZPALHD-OAHLLOKOSA-N 0 0 444.509 3.014 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000013058064 568907059 /nfs/dbraw/zinc/90/70/59/568907059.db2.gz CTZDOJIYGULWBK-UHFFFAOYSA-N 0 0 445.522 3.084 50 0 IGAARN COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c(OC)c1 ZINC000238937259 568910288 /nfs/dbraw/zinc/91/02/88/568910288.db2.gz UTHAINCDNFRKQU-KMDXXIMOSA-N 0 0 449.551 3.452 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCOc3ccccc32)c(C)c1 ZINC000241124376 568912154 /nfs/dbraw/zinc/91/21/54/568912154.db2.gz JHSWPGOFRIRHKB-PMACEKPBSA-N 0 0 428.554 3.405 50 0 IGAARN C[C@@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000241586464 568912273 /nfs/dbraw/zinc/91/22/73/568912273.db2.gz OWENDJQAPSGSCE-UTKZUKDTSA-N 0 0 430.570 3.025 50 0 IGAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000241439968 568912407 /nfs/dbraw/zinc/91/24/07/568912407.db2.gz NNWBRGWEMYEWRY-UZLBHIALSA-N 0 0 426.513 3.489 50 0 IGAARN CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000242389375 568912749 /nfs/dbraw/zinc/91/27/49/568912749.db2.gz ZWQPPUIWAXCFHJ-NUEKZKHPSA-N 0 0 427.453 3.216 50 0 IGAARN Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c1 ZINC000245246148 568913254 /nfs/dbraw/zinc/91/32/54/568913254.db2.gz JMSSBGGAUVLRLI-IPRDPGLQSA-N 0 0 435.911 3.388 50 0 IGAARN C[C@]1(O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@@]2(C)O)C(=O)O[C@]1(C)Cc1ccccc1 ZINC000245255022 568913634 /nfs/dbraw/zinc/91/36/34/568913634.db2.gz DQGRJAZMPUBWTA-MOUTVQLLSA-N 0 0 440.496 3.226 50 0 IGAARN COCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4cc(C)ccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256990 568914195 /nfs/dbraw/zinc/91/41/95/568914195.db2.gz VKWBXJLBXLQMHT-ZIBCJSCZSA-N 0 0 436.533 3.161 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000089322747 568920934 /nfs/dbraw/zinc/92/09/34/568920934.db2.gz BEYJKOOHFAEORE-UHFFFAOYSA-N 0 0 438.553 3.146 50 0 IGAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000026903890 568924214 /nfs/dbraw/zinc/92/42/14/568924214.db2.gz LIRJHMWUTRUREM-KRWDZBQOSA-N 0 0 433.332 3.172 50 0 IGAARN Cn1c2cc(NC(=O)Cc3ccc(Cl)cc3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000064526181 568931151 /nfs/dbraw/zinc/93/11/51/568931151.db2.gz WJABKYSSSSPTSY-UHFFFAOYSA-N 0 0 440.931 3.062 50 0 IGAARN CC1CCN(c2cc3c(cc2NC(=O)c2cccc(Cl)c2)n(C)c(=O)c(=O)n3C)CC1 ZINC000064526212 568931382 /nfs/dbraw/zinc/93/13/82/568931382.db2.gz RJGQOINJYMFBOC-UHFFFAOYSA-N 0 0 440.931 3.379 50 0 IGAARN Cc1ccccc1CC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000064566226 568933211 /nfs/dbraw/zinc/93/32/11/568933211.db2.gz MIHIRSNCUOJFRJ-UHFFFAOYSA-N 0 0 427.508 3.497 50 0 IGAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccco1)NC1CCCCC1 ZINC000064590620 568935474 /nfs/dbraw/zinc/93/54/74/568935474.db2.gz OKTMZENJECZFAP-UHFFFAOYSA-N 0 0 443.554 3.288 50 0 IGAARN CCc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4OC)ccn23)cc1 ZINC000064593058 568935578 /nfs/dbraw/zinc/93/55/78/568935578.db2.gz DGLPKBMUUGGPER-UHFFFAOYSA-N 0 0 435.509 3.182 50 0 IGAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2c1=O ZINC000064593081 568935810 /nfs/dbraw/zinc/93/58/10/568935810.db2.gz FOKXERRCFOWANG-UHFFFAOYSA-N 0 0 439.472 3.067 50 0 IGAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000016689632 568938196 /nfs/dbraw/zinc/93/81/96/568938196.db2.gz ONFGQCSHXGQNRG-UHFFFAOYSA-N 0 0 432.476 3.089 50 0 IGAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)C1 ZINC000064610860 568939943 /nfs/dbraw/zinc/93/99/43/568939943.db2.gz UOCQBGNYQHIPDX-SFHVURJKSA-N 0 0 441.509 3.367 50 0 IGAARN CCCN1CCN(S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)CC1 ZINC000064610907 568940057 /nfs/dbraw/zinc/94/00/57/568940057.db2.gz ZWHPADLVFAXBPJ-UHFFFAOYSA-N 0 0 426.542 3.428 50 0 IGAARN COC(=O)c1cccc(NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c1 ZINC000064611425 568940220 /nfs/dbraw/zinc/94/02/20/568940220.db2.gz FDYMPLRLPIFMDQ-XMMPIXPASA-N 0 0 449.551 3.270 50 0 IGAARN COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2onc4c2CCCC4)C3)nc1 ZINC000426362123 568940955 /nfs/dbraw/zinc/94/09/55/568940955.db2.gz ZTZYMLNIELRXFZ-MRXNPFEDSA-N 0 0 433.464 3.136 50 0 IGAARN CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(CC2CC2)C1=O ZINC000036029817 568943722 /nfs/dbraw/zinc/94/37/22/568943722.db2.gz JEEOHQXFXZEDEO-OXJNMPFZSA-N 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CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)C1CC1 ZINC000036074441 568946251 /nfs/dbraw/zinc/94/62/51/568946251.db2.gz GRKHKDOMHYHNAR-UHFFFAOYSA-N 0 0 441.963 3.094 50 0 IGAARN Cc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086264 568948404 /nfs/dbraw/zinc/94/84/04/568948404.db2.gz PLBHMUSFXWWENP-UHFFFAOYSA-N 0 0 446.551 3.464 50 0 IGAARN Cc1cccc(-n2nc(C(=O)N(C)C3CCCCC3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087026 568949432 /nfs/dbraw/zinc/94/94/32/568949432.db2.gz ZVKNJUHNJYVUKD-UHFFFAOYSA-N 0 0 446.551 3.464 50 0 IGAARN COCCCNc1c(-c2ccccc2)nc2sc(C(=O)N3CCN(C)CC3)c(C)n21 ZINC000064761327 568952335 /nfs/dbraw/zinc/95/23/35/568952335.db2.gz QOPRYJQRTKBWOI-UHFFFAOYSA-N 0 0 427.574 3.207 50 0 IGAARN C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775932 568954912 /nfs/dbraw/zinc/95/49/12/568954912.db2.gz UCXOUPGFJCHPKN-INIZCTEOSA-N 0 0 449.942 3.451 50 0 IGAARN CC(=O)N1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000064789717 568957001 /nfs/dbraw/zinc/95/70/01/568957001.db2.gz AGBXZGOWCUPCLJ-UHFFFAOYSA-N 0 0 443.500 3.290 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036121399 568957821 /nfs/dbraw/zinc/95/78/21/568957821.db2.gz FMVKLDZEARMRIC-IBGZPJMESA-N 0 0 434.533 3.275 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC1CC1 ZINC000036122122 568958203 /nfs/dbraw/zinc/95/82/03/568958203.db2.gz NDGRMSJWCHNREN-HXUWFJFHSA-N 0 0 442.581 3.446 50 0 IGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)NCc2ccc(OC)cc2)c1C ZINC000064792290 568959306 /nfs/dbraw/zinc/95/93/06/568959306.db2.gz CTJSLHMWEVNVBI-UHFFFAOYSA-N 0 0 445.523 3.144 50 0 IGAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)cc1 ZINC000064800596 568961191 /nfs/dbraw/zinc/96/11/91/568961191.db2.gz YQLOVYVAIUNKDD-UHFFFAOYSA-N 0 0 441.532 3.487 50 0 IGAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1 ZINC000064801916 568961678 /nfs/dbraw/zinc/96/16/78/568961678.db2.gz LBBPOADAEAZHNZ-UHFFFAOYSA-N 0 0 439.541 3.474 50 0 IGAARN COc1cc(OC)cc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000064816416 568965180 /nfs/dbraw/zinc/96/51/80/568965180.db2.gz YXSHTCVMSGXMAR-VWLOTQADSA-N 0 0 448.523 3.253 50 0 IGAARN CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21 ZINC000064818875 568965696 /nfs/dbraw/zinc/96/56/96/568965696.db2.gz HPZOFOCAMXVHRM-UHFFFAOYSA-N 0 0 438.889 3.310 50 0 IGAARN CCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)O2)c1 ZINC000064819800 568966822 /nfs/dbraw/zinc/96/68/22/568966822.db2.gz PWNXAKWSPOWFOH-QFIPXVFZSA-N 0 0 427.457 3.300 50 0 IGAARN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCc1ccccc1 ZINC000036158941 568967012 /nfs/dbraw/zinc/96/70/12/568967012.db2.gz ALYNOQNZHVFYMN-KRWDZBQOSA-N 0 0 427.570 3.261 50 0 IGAARN CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCC[C@@H](C)C4)nn32)cc1 ZINC000064836925 568969509 /nfs/dbraw/zinc/96/95/09/568969509.db2.gz QLDVFDKMUMYKHW-CQSZACIVSA-N 0 0 443.598 3.082 50 0 IGAARN CC[C@@H](C(=O)NCc1cccc(OC)c1OC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839469 568969630 /nfs/dbraw/zinc/96/96/30/568969630.db2.gz YFENQBRXSIHPEO-SFHVURJKSA-N 0 0 434.496 3.173 50 0 IGAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000064842092 568970653 /nfs/dbraw/zinc/97/06/53/568970653.db2.gz BRWFQYZSEHPUTR-UHFFFAOYSA-N 0 0 426.835 3.469 50 0 IGAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2cccs2)CC1 ZINC000036208428 568973362 /nfs/dbraw/zinc/97/33/62/568973362.db2.gz XROQXVUQIHUWJX-YWZLYKJASA-N 0 0 445.560 3.453 50 0 IGAARN CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209767 568974255 /nfs/dbraw/zinc/97/42/55/568974255.db2.gz ORSRFSOJDVNJQF-FQEVSTJZSA-N 0 0 433.980 3.346 50 0 IGAARN CCOC(=O)CC1=CC(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2N1 ZINC000064869316 568975792 /nfs/dbraw/zinc/97/57/92/568975792.db2.gz OVXMESUUADXCFH-SFHVURJKSA-N 0 0 435.524 3.420 50 0 IGAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036212281 568976046 /nfs/dbraw/zinc/97/60/46/568976046.db2.gz 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/nfs/dbraw/zinc/99/93/46/568999346.db2.gz JLMRSBVXKMWLEY-UHFFFAOYSA-N 0 0 436.516 3.196 50 0 IGAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000064963950 569000781 /nfs/dbraw/zinc/00/07/81/569000781.db2.gz PTQNEGWNYGOXSZ-KRWDZBQOSA-N 0 0 436.917 3.284 50 0 IGAARN COc1ccc(COC2CN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1F ZINC000064968851 569076140 /nfs/dbraw/zinc/07/61/40/569076140.db2.gz NAOPBDSNGBKRLJ-UHFFFAOYSA-N 0 0 430.295 3.187 50 0 IGAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc1Cl ZINC000064977581 569077465 /nfs/dbraw/zinc/07/74/65/569077465.db2.gz LIYYMGJNMGADJJ-UHFFFAOYSA-N 0 0 425.880 3.160 50 0 IGAARN CCCn1nnc2cc(C(=O)NCCC(=O)Nc3cccc(Br)c3)ccc21 ZINC000064977757 569077589 /nfs/dbraw/zinc/07/75/89/569077589.db2.gz PMKCEQAGAXRBCQ-UHFFFAOYSA-N 0 0 430.306 3.362 50 0 IGAARN CCCCOC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2cccc(F)c2)CC1 ZINC000036340727 569078530 /nfs/dbraw/zinc/07/85/30/569078530.db2.gz SKSBLJWCLYSWRD-JOCHJYFZSA-N 0 0 444.595 3.377 50 0 IGAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000036340210 569078727 /nfs/dbraw/zinc/07/87/27/569078727.db2.gz XMPWVKBPBHITNO-FQEVSTJZSA-N 0 0 432.996 3.246 50 0 IGAARN CCc1nc(C)nc(N2CCN(C[C@@H](O)COCC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340630 569079028 /nfs/dbraw/zinc/07/90/28/569079028.db2.gz GWBLEUMTRKETEL-HSZRJFAPSA-N 0 0 440.632 3.402 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988972 569082899 /nfs/dbraw/zinc/08/28/99/569082899.db2.gz CDFVQMVADGRVKV-UHFFFAOYSA-N 0 0 436.512 3.392 50 0 IGAARN Cc1ccc(C)c(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000064991813 569084324 /nfs/dbraw/zinc/08/43/24/569084324.db2.gz QSULCJUAFOTZJU-UHFFFAOYSA-N 0 0 438.481 3.164 50 0 IGAARN O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000064991808 569084329 /nfs/dbraw/zinc/08/43/29/569084329.db2.gz VJPXBTKIRCGHNX-UHFFFAOYSA-N 0 0 444.872 3.201 50 0 IGAARN COc1ccc(Cn2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000064999325 569085773 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COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 ZINC000008934388 569487917 /nfs/dbraw/zinc/48/79/17/569487917.db2.gz MUZDGKMQEHJJAA-HWYOBBEWSA-N 0 0 425.513 3.374 50 0 IGAARN COc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000040104324 569488158 /nfs/dbraw/zinc/48/81/58/569488158.db2.gz VWOSVCYGUGMNOR-OAQYLSRUSA-N 0 0 425.485 3.343 50 0 IGAARN COc1ccc(CCC(=O)NCCn2ncc3c2nc(SC)nc3NC(C)C)cc1 ZINC000008942036 569488680 /nfs/dbraw/zinc/48/86/80/569488680.db2.gz ZVOWNSAMRGYMMD-UHFFFAOYSA-N 0 0 428.562 3.126 50 0 IGAARN CCN(CC)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cn1 ZINC000040121322 569489532 /nfs/dbraw/zinc/48/95/32/569489532.db2.gz LEAUGEXWJDCZLI-UHFFFAOYSA-N 0 0 436.603 3.094 50 0 IGAARN Cc1ccc(-c2noc(CS(=O)(=O)[C@H](C)C(=O)NC[C@@H](C)c3ccccc3)n2)cc1 ZINC000040121898 569489594 /nfs/dbraw/zinc/48/95/94/569489594.db2.gz DKOGJHDWZWXZTO-IAGOWNOFSA-N 0 0 427.526 3.268 50 0 IGAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCc1ccccc1 ZINC000008952544 569489996 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COCc1nn2c(ncc3c(=O)n(CCc4c[nH]cn4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397847 556639989 /nfs/dbraw/zinc/63/99/89/556639989.db2.gz YLEZGQXABPYHFG-UHFFFAOYSA-N 0 0 434.887 3.477 50 0 IGAARN COCCN(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(C)=O ZINC000033855871 556642795 /nfs/dbraw/zinc/64/27/95/556642795.db2.gz KKYYAQJOCGXKKP-UHFFFAOYSA-N 0 0 431.432 3.468 50 0 IGAARN O=C(COc1ccc(Br)cc1F)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000016830849 556645226 /nfs/dbraw/zinc/64/52/26/556645226.db2.gz NRJKVFMLRMJPET-SFHVURJKSA-N 0 0 437.309 3.157 50 0 IGAARN Cc1cc(C)cc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)S[C@H](C)C3)c1 ZINC000011726672 556647606 /nfs/dbraw/zinc/64/76/06/556647606.db2.gz NKDVWIVUQSSYCZ-NVXWUHKLSA-N 0 0 445.610 3.273 50 0 IGAARN CCOc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccco4)c3=O)n2)cc1 ZINC000038486491 556648407 /nfs/dbraw/zinc/64/84/07/556648407.db2.gz FFHMNHZDKSOZDS-UHFFFAOYSA-N 0 0 444.447 3.302 50 0 IGAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5Cl)c(=O)n4ccn3n2)cc1 ZINC000038487557 556649890 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3.149 50 0 IGAARN Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c(Cl)c1 ZINC000046005216 556689314 /nfs/dbraw/zinc/68/93/14/556689314.db2.gz WCJTVRWRYXJNSZ-UHFFFAOYSA-N 0 0 436.855 3.492 50 0 IGAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)Nc4ccccc4)nnc3c2=O)cc1 ZINC000046005664 556689913 /nfs/dbraw/zinc/68/99/13/556689913.db2.gz KTAHIYALNZCEPV-KRWDZBQOSA-N 0 0 431.496 3.486 50 0 IGAARN COc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(C)=C1C(=O)Nc1ccccc1 ZINC000000969129 556690024 /nfs/dbraw/zinc/69/00/24/556690024.db2.gz ZXQZQESLQQCPMA-NRFANRHFSA-N 0 0 434.521 3.248 50 0 IGAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)cs1 ZINC000024199848 556691203 /nfs/dbraw/zinc/69/12/03/556691203.db2.gz BCADCWYHGPXXDO-UHFFFAOYSA-N 0 0 447.520 3.455 50 0 IGAARN O=C(NCc1ccncc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583343 556699704 /nfs/dbraw/zinc/69/97/04/556699704.db2.gz KNMGROFWXNGDLJ-UHFFFAOYSA-N 0 0 427.913 3.416 50 0 IGAARN O=C(COC(=O)c1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024279913 556700280 /nfs/dbraw/zinc/70/02/80/556700280.db2.gz KOPGIPRZYDVGKQ-UHFFFAOYSA-N 0 0 433.839 3.321 50 0 IGAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)cc2)cc1 ZINC000013633488 556705371 /nfs/dbraw/zinc/70/53/71/556705371.db2.gz JOVKLSOPLYYPLZ-HSZRJFAPSA-N 0 0 437.473 3.175 50 0 IGAARN COCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3C)s2)c1 ZINC000033027313 556706413 /nfs/dbraw/zinc/70/64/13/556706413.db2.gz CQNHDQUSJVQLDS-UHFFFAOYSA-N 0 0 426.498 3.054 50 0 IGAARN Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)s1 ZINC000019147342 556706792 /nfs/dbraw/zinc/70/67/92/556706792.db2.gz FFDAISVWVXKQRC-IBGZPJMESA-N 0 0 426.586 3.433 50 0 IGAARN Cc1c2cccc(Cl)c2oc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000011124826 556710165 /nfs/dbraw/zinc/71/01/65/556710165.db2.gz GQNAVGPNLQFUBK-LLVKDONJSA-N 0 0 436.873 3.226 50 0 IGAARN COCCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032315 556712885 /nfs/dbraw/zinc/71/28/85/556712885.db2.gz GPGMVODVHVVKEL-UHFFFAOYSA-N 0 0 444.488 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/nfs/dbraw/zinc/72/91/84/556729184.db2.gz TVSHRRLHNHXGPQ-UHFFFAOYSA-N 0 0 441.509 3.021 50 0 IGAARN COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)c1 ZINC000054146956 556729247 /nfs/dbraw/zinc/72/92/47/556729247.db2.gz XHWORQOTPPJZKD-UHFFFAOYSA-N 0 0 425.924 3.182 50 0 IGAARN CCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(C)cc3)nn2c1=O ZINC000013770665 556730715 /nfs/dbraw/zinc/73/07/15/556730715.db2.gz HLAZEPZSKQNKSL-QNGOZBTKSA-N 0 0 433.533 3.137 50 0 IGAARN Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3ccccc3)ncc1S(=O)(=O)N2C ZINC000033039668 556731595 /nfs/dbraw/zinc/73/15/95/556731595.db2.gz ANSVLNOLWVFUSJ-UHFFFAOYSA-N 0 0 426.523 3.321 50 0 IGAARN CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000055054106 556732957 /nfs/dbraw/zinc/73/29/57/556732957.db2.gz HJBWGZLSBYKUSQ-NRFANRHFSA-N 0 0 431.939 3.391 50 0 IGAARN Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3cccc(CS(C)(=O)=O)c3)c2C)n1 ZINC000019298559 556734784 /nfs/dbraw/zinc/73/47/84/556734784.db2.gz BQEWXEGFYCMGAJ-UHFFFAOYSA-N 0 0 446.550 3.443 50 0 IGAARN 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O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000049026274 557088326 /nfs/dbraw/zinc/08/83/26/557088326.db2.gz GZHLLCUATXVNQR-UHFFFAOYSA-N 0 0 434.874 3.209 50 0 IGAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc[nH]c1=O ZINC000011325463 557089154 /nfs/dbraw/zinc/08/91/54/557089154.db2.gz XCIGLPIZGNYBLM-UHFFFAOYSA-N 0 0 441.465 3.002 50 0 IGAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)n2c3ccccc3nc21 ZINC000023382059 557089171 /nfs/dbraw/zinc/08/91/71/557089171.db2.gz XSFCKOUKLFPENU-LJQANCHMSA-N 0 0 438.484 3.007 50 0 IGAARN Cc1nc(C)c(-c2ccc(OCCNC(=O)c3cc(-c4ccccc4)nn3C)nn2)s1 ZINC000049030745 557089283 /nfs/dbraw/zinc/08/92/83/557089283.db2.gz GYDWHUKCGJBPBV-UHFFFAOYSA-N 0 0 434.525 3.426 50 0 IGAARN COc1ccccc1CNC(=O)CCn1c(=O)c2sccc2nc1N1CCCCC1 ZINC000033308777 557089824 /nfs/dbraw/zinc/08/98/24/557089824.db2.gz FWULOQXWGXGZPN-UHFFFAOYSA-N 0 0 426.542 3.163 50 0 IGAARN COc1ccccc1CNC(=O)Cn1cccc(-c2nc(-c3ccccc3C)no2)c1=O ZINC000049002603 557090413 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50 0 IGAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000035343953 568880466 /nfs/dbraw/zinc/88/04/66/568880466.db2.gz PTNVCJRKJQJQQQ-JTSKRJEESA-N 0 0 433.508 3.032 50 0 IGAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nncn2C)c1OC ZINC000009444059 568883407 /nfs/dbraw/zinc/88/34/07/568883407.db2.gz NELBHXHRARZUKR-HNNXBMFYSA-N 0 0 443.554 3.364 50 0 IGAARN COC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCCC2 ZINC000102446019 568885142 /nfs/dbraw/zinc/88/51/42/568885142.db2.gz PYOHQNFYYAYQFP-KBPBESRZSA-N 0 0 432.542 3.307 50 0 IGAARN Cc1nc(-c2cccs2)sc1CNC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O ZINC000090592755 568888753 /nfs/dbraw/zinc/88/87/53/568888753.db2.gz IRWBDEUFKYKZQV-UHFFFAOYSA-N 0 0 442.497 3.088 50 0 IGAARN Cc1c(CNC(=O)Cn2cnc(C)c(C)c2=O)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593860 568889083 /nfs/dbraw/zinc/88/90/83/568889083.db2.gz VKDATJGDIKEJLU-UHFFFAOYSA-N 0 0 425.489 3.000 50 0 IGAARN Cc1ccc(S(=O)(=O)NCCNC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000012984127 568895376 /nfs/dbraw/zinc/89/53/76/568895376.db2.gz LJODHJBFQQKGMK-UHFFFAOYSA-N 0 0 427.979 3.018 50 0 IGAARN CC(C)(NC(=O)Cn1nnc(COc2ccccc2)n1)c1ccc(Br)cc1 ZINC000032398962 568895790 /nfs/dbraw/zinc/89/57/90/568895790.db2.gz IXWUNWDLVIHLKX-UHFFFAOYSA-N 0 0 430.306 3.066 50 0 IGAARN CCOc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)cc(Cl)c1OC ZINC000040122779 568896541 /nfs/dbraw/zinc/89/65/41/568896541.db2.gz SSIBEHKTXMTRPJ-AATRIKPKSA-N 0 0 433.892 3.042 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000013007606 568899498 /nfs/dbraw/zinc/89/94/98/568899498.db2.gz PTCRBGZHCDDATR-UHFFFAOYSA-N 0 0 434.533 3.322 50 0 IGAARN CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000013007891 568899532 /nfs/dbraw/zinc/89/95/32/568899532.db2.gz UJAVJJDHNJAIPC-CYBMUJFWSA-N 0 0 427.473 3.394 50 0 IGAARN C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013009356 568899862 /nfs/dbraw/zinc/89/98/62/568899862.db2.gz XRMYSLDVEVSOLS-CYBMUJFWSA-N 0 0 442.509 3.105 50 0 IGAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000013016109 568901644 /nfs/dbraw/zinc/90/16/44/568901644.db2.gz XQGHXIVKMOFOEK-BLLLJJGKSA-N 0 0 447.340 3.084 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000013018122 568901908 /nfs/dbraw/zinc/90/19/08/568901908.db2.gz IEVACTXECZGKSQ-UHFFFAOYSA-N 0 0 441.347 3.366 50 0 IGAARN O=C(CCCOc1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000013018676 568902020 /nfs/dbraw/zinc/90/20/20/568902020.db2.gz ORDKRDKYBGQVLE-UHFFFAOYSA-N 0 0 426.535 3.016 50 0 IGAARN CCOC(=O)c1sc(NC(=O)CSc2nnc3ccccn32)c(C(=O)OCC)c1C ZINC000001807277 568908929 /nfs/dbraw/zinc/90/89/29/568908929.db2.gz YIZWUVIKSNRWIP-UHFFFAOYSA-N 0 0 448.526 3.183 50 0 IGAARN Cc1ccc(C2=NN(C(=O)CN3C[C@@H](C(N)=O)Oc4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000241837509 568912605 /nfs/dbraw/zinc/91/26/05/568912605.db2.gz SKTDFONMRCZLQU-REWPJTCUSA-N 0 0 444.491 3.019 50 0 IGAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248343100 568919333 /nfs/dbraw/zinc/91/93/33/568919333.db2.gz ZNIAEOAOTYSHDY-GSRZOBFVSA-N 0 0 435.911 3.388 50 0 IGAARN CCN1c2cc(N3CCOCC3)c(F)cc2N[C@@H]2C(C(=O)OCc3ccco3)=C(C)O[C@H]21 ZINC000252428278 568919681 /nfs/dbraw/zinc/91/96/81/568919681.db2.gz WPHIGVWTKCSZLX-FGZHOGPDSA-N 0 0 443.475 3.249 50 0 IGAARN O=C(CCc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000026900402 568924151 /nfs/dbraw/zinc/92/41/51/568924151.db2.gz PLDIAYFWLJROAE-UHFFFAOYSA-N 0 0 427.353 3.459 50 0 IGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3O)CC2)c1C ZINC000026945086 568927758 /nfs/dbraw/zinc/92/77/58/568927758.db2.gz FZMWDNVPDXJJPU-UHFFFAOYSA-N 0 0 430.570 3.092 50 0 IGAARN COc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4ccc(F)cc4)no3)nn2C)C1 ZINC000064566100 568932787 /nfs/dbraw/zinc/93/27/87/568932787.db2.gz VLVUTJNARLSVRJ-UHFFFAOYSA-N 0 0 433.443 3.483 50 0 IGAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000064566224 568933166 /nfs/dbraw/zinc/93/31/66/568933166.db2.gz NDHHMEYODUEDGB-UHFFFAOYSA-N 0 0 431.471 3.327 50 0 IGAARN Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cccs3)CC4)o2)cc1 ZINC000064566620 568933552 /nfs/dbraw/zinc/93/35/52/568933552.db2.gz NAUSYPAQTPBSBE-UHFFFAOYSA-N 0 0 441.538 3.254 50 0 IGAARN CCOc1ccc(NC(=O)NC2CCN(c3nc4cccnc4n(CC)c3=O)CC2)cc1 ZINC000064579180 568934212 /nfs/dbraw/zinc/93/42/12/568934212.db2.gz FPDDSTOEUZHJTP-UHFFFAOYSA-N 0 0 436.516 3.001 50 0 IGAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])CC1 ZINC000064580569 568934443 /nfs/dbraw/zinc/93/44/43/568934443.db2.gz FIEXSTDVTNILQA-UHFFFAOYSA-N 0 0 431.558 3.280 50 0 IGAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4c5cc(OC)ccc5[nH]c4C3)C2=O)cc1 ZINC000036369818 568940252 /nfs/dbraw/zinc/94/02/52/568940252.db2.gz YKZPJWBLVJSWGG-JOCHJYFZSA-N 0 0 447.491 3.043 50 0 IGAARN COCCNC(=O)c1cccc(CSc2nc(N3CCOCC3)cc(C(C)(C)C)n2)c1 ZINC000036070813 568945616 /nfs/dbraw/zinc/94/56/16/568945616.db2.gz 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Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccc(F)cc3)nn(-c3cccc(F)c3)c2=O)c1 ZINC000036088467 568949975 /nfs/dbraw/zinc/94/99/75/568949975.db2.gz RBINBIHVPOSQLT-UHFFFAOYSA-N 0 0 448.429 3.281 50 0 IGAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088911 568950095 /nfs/dbraw/zinc/95/00/95/568950095.db2.gz QSFHYKHFKXARLY-AWEZNQCLSA-N 0 0 444.894 3.072 50 0 IGAARN COc1cccc(NC(=O)Cn2c(=O)cccc2C(=O)NCc2ccccc2Cl)c1 ZINC000064755179 568951211 /nfs/dbraw/zinc/95/12/11/568951211.db2.gz UHPOLTHRSATWQZ-UHFFFAOYSA-N 0 0 425.872 3.079 50 0 IGAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)c(C(=O)NC2CC2)cnc1-c1ccccc1 ZINC000064759408 568951805 /nfs/dbraw/zinc/95/18/05/568951805.db2.gz DUZRWWHYDGABBD-UHFFFAOYSA-N 0 0 430.508 3.312 50 0 IGAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CCC(C)C)c2=O)c(F)c1 ZINC000064775224 568954535 /nfs/dbraw/zinc/95/45/35/568954535.db2.gz YIXXTNUEFAPRCM-UHFFFAOYSA-N 0 0 443.504 3.005 50 0 IGAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119357 568956138 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CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000009844741 569570924 /nfs/dbraw/zinc/57/09/24/569570924.db2.gz HAIFZGQZIWSENW-UHFFFAOYSA-N 0 0 441.553 3.213 50 0 IGAARN O=C(Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NC1CCCCCCC1 ZINC000009860529 569571847 /nfs/dbraw/zinc/57/18/47/569571847.db2.gz FFWIJBUAHSVLPK-MOPGFXCFSA-N 0 0 435.615 3.139 50 0 IGAARN CCn1c(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)nnc1N1CCOCC1 ZINC000009863401 569572075 /nfs/dbraw/zinc/57/20/75/569572075.db2.gz PTRAJCPCWNJIFE-LJQANCHMSA-N 0 0 443.598 3.194 50 0 IGAARN O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000009865707 569572183 /nfs/dbraw/zinc/57/21/83/569572183.db2.gz YLIXNFJVRWIFKK-UHFFFAOYSA-N 0 0 427.464 3.126 50 0 IGAARN CCOC(=O)c1sc2[nH]c([C@H](C)OC(=O)CCc3c(C)noc3C)nc(=O)c2c1C ZINC000009874539 569572530 /nfs/dbraw/zinc/57/25/30/569572530.db2.gz KPNGEGVPDBFRAW-LBPRGKRZSA-N 0 0 433.486 3.312 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CSc1nnc(C2CC2)n1CC ZINC000009874134 569572534 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569575067 /nfs/dbraw/zinc/57/50/67/569575067.db2.gz XDYPOGIFWHUVOG-UHFFFAOYSA-N 0 0 435.484 3.271 50 0 IGAARN C[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000009960859 569575466 /nfs/dbraw/zinc/57/54/66/569575466.db2.gz GMZZZUMCOCLKCX-KRWDZBQOSA-N 0 0 448.475 3.427 50 0 IGAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc2c(c1)OCCCO2 ZINC000009961347 569575631 /nfs/dbraw/zinc/57/56/31/569575631.db2.gz FZPHSBYZWDQQPC-UHFFFAOYSA-N 0 0 449.492 3.413 50 0 IGAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009972022 569576322 /nfs/dbraw/zinc/57/63/22/569576322.db2.gz ZNNUWBKNAYYSDL-UHFFFAOYSA-N 0 0 438.505 3.312 50 0 IGAARN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974298 569576369 /nfs/dbraw/zinc/57/63/69/569576369.db2.gz UULMBDVGHLDGGK-CQSZACIVSA-N 0 0 429.380 3.299 50 0 IGAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000009982567 569576584 /nfs/dbraw/zinc/57/65/84/569576584.db2.gz FRATXTUVJHPOLJ-FQEVSTJZSA-N 0 0 431.444 3.183 50 0 IGAARN O=C(Cc1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009989769 569576882 /nfs/dbraw/zinc/57/68/82/569576882.db2.gz OPRBSWWLHDKKLS-UHFFFAOYSA-N 0 0 443.388 3.154 50 0 IGAARN CCCN(C(=O)Cc1coc2cc(C)ccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010109614 569577969 /nfs/dbraw/zinc/57/79/69/569577969.db2.gz SAMXTYKPXBDTEM-UHFFFAOYSA-N 0 0 446.507 3.207 50 0 IGAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1OC ZINC000010131989 569578053 /nfs/dbraw/zinc/57/80/53/569578053.db2.gz KTNQAIGKRLWZJD-UHFFFAOYSA-N 0 0 443.503 3.440 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139709 569578100 /nfs/dbraw/zinc/57/81/00/569578100.db2.gz ARKRPNKOVKFJNL-UHFFFAOYSA-N 0 0 440.569 3.236 50 0 IGAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2c1ccccc1 ZINC000010157498 569578195 /nfs/dbraw/zinc/57/81/95/569578195.db2.gz ICNWXHLTQLWFEY-OAQYLSRUSA-N 0 0 434.931 3.356 50 0 IGAARN Cc1cc(Br)ccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000010173904 569578304 /nfs/dbraw/zinc/57/83/04/569578304.db2.gz DCRPJCZIUUAURS-KRWDZBQOSA-N 0 0 437.359 3.390 50 0 IGAARN CSc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc21 ZINC000010187265 569578583 /nfs/dbraw/zinc/57/85/83/569578583.db2.gz RPKPAUBXZGINIY-UHFFFAOYSA-N 0 0 449.579 3.291 50 0 IGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)c1 ZINC000010187787 569578693 /nfs/dbraw/zinc/57/86/93/569578693.db2.gz XMEKCWKPYWHSAM-UHFFFAOYSA-N 0 0 434.448 3.031 50 0 IGAARN O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010198595 569578944 /nfs/dbraw/zinc/57/89/44/569578944.db2.gz PNXQAMXMRMJZJZ-IBGZPJMESA-N 0 0 443.891 3.189 50 0 IGAARN O=C(NCc1ccccc1Cn1cccn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000010234806 569579695 /nfs/dbraw/zinc/57/96/95/569579695.db2.gz GBZZOBKZYASYHP-UHFFFAOYSA-N 0 0 440.459 3.251 50 0 IGAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)n2)cc1OC ZINC000010252617 569579926 /nfs/dbraw/zinc/57/99/26/569579926.db2.gz CKDGRGBEVAGOLE-UHFFFAOYSA-N 0 0 432.523 3.412 50 0 IGAARN Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3)c2)n1 ZINC000071768229 569580652 /nfs/dbraw/zinc/58/06/52/569580652.db2.gz FTVFEQLXAPVKEK-UHFFFAOYSA-N 0 0 449.902 3.242 50 0 IGAARN COc1ccc([C@@H](C)NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1OC ZINC000071768375 569580686 /nfs/dbraw/zinc/58/06/86/569580686.db2.gz HZQVMGZBEYLXMD-CYBMUJFWSA-N 0 0 434.456 3.134 50 0 IGAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1cccc(Cl)c1F ZINC000071772312 569580954 /nfs/dbraw/zinc/58/09/54/569580954.db2.gz SLMUJPFHYFKWQK-UHFFFAOYSA-N 0 0 427.823 3.494 50 0 IGAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000010324596 569580974 /nfs/dbraw/zinc/58/09/74/569580974.db2.gz TWWHZTHGAVJERM-UHFFFAOYSA-N 0 0 437.880 3.302 50 0 IGAARN C[C@H](C(=O)N1CCCCCC1)[S@](=O)Cc1cc2c(cc1Br)OCCO2 ZINC000071797395 569581506 /nfs/dbraw/zinc/58/15/06/569581506.db2.gz PJWNZRNPPLQXSQ-SHZVTRLKSA-N 0 0 430.364 3.260 50 0 IGAARN CSc1cccc(N2C[C@@H](C(=O)OCCCn3c(=O)[nH]c4ccccc43)CC2=O)c1 ZINC000010401050 569581939 /nfs/dbraw/zinc/58/19/39/569581939.db2.gz JUUQIVPRQHDEPP-HNNXBMFYSA-N 0 0 425.510 3.038 50 0 IGAARN COc1ccc2cc(CNC(=O)NCc3ccccc3S(=O)(=O)N(C)C)ccc2c1 ZINC000010496232 569582575 /nfs/dbraw/zinc/58/25/75/569582575.db2.gz JAZIWNGNPASLPM-UHFFFAOYSA-N 0 0 427.526 3.098 50 0 IGAARN COc1ccc2nc(NC(=O)Cn3cc(OCc4ccccc4)c(=O)cc3C)sc2c1 ZINC000072403461 569584715 /nfs/dbraw/zinc/58/47/15/569584715.db2.gz AUOMUUZVJBDXCI-UHFFFAOYSA-N 0 0 435.505 3.993 50 0 IGAARN O=C(c1ccoc1)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000077099742 569585219 /nfs/dbraw/zinc/58/52/19/569585219.db2.gz ZEMVYDWPLPUJKO-UHFFFAOYSA-N 0 0 430.448 3.270 50 0 IGAARN Cn1nc([C@H]2CCCN(C(=O)c3cc(-c4cccs4)on3)C2)n(-c2ccccc2)c1=O ZINC000077100600 569585438 /nfs/dbraw/zinc/58/54/38/569585438.db2.gz RUIQLMVXYVOOJN-HNNXBMFYSA-N 0 0 435.509 3.307 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)c(C)c1 ZINC000077145448 569585639 /nfs/dbraw/zinc/58/56/39/569585639.db2.gz BQCQKXBMKVNQAU-UHFFFAOYSA-N 0 0 442.566 3.463 50 0 IGAARN COc1ccc(S(=O)(=O)CCCC(=O)OC2CN(c3nc4ccccc4s3)C2)cc1 ZINC000077200631 569586517 /nfs/dbraw/zinc/58/65/17/569586517.db2.gz NOYZSCWFOBARMX-UHFFFAOYSA-N 0 0 446.550 3.291 50 0 IGAARN COc1cccc2sc(N3CC(OC(=O)c4cccc(N5C(=O)CCC5=O)c4)C3)nc21 ZINC000077200605 569586526 /nfs/dbraw/zinc/58/65/26/569586526.db2.gz ONEXONZWWFLCSZ-UHFFFAOYSA-N 0 0 437.477 3.004 50 0 IGAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000035431118 569587704 /nfs/dbraw/zinc/58/77/04/569587704.db2.gz BOLKVCKRVRWOBQ-MRXNPFEDSA-N 0 0 429.523 3.232 50 0 IGAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838193 193903069 /nfs/dbraw/zinc/90/30/69/193903069.db2.gz BSWFWZCHAMXGRX-AWEZNQCLSA-N 0 0 446.554 3.048 50 0 IGAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC000009840005 193903420 /nfs/dbraw/zinc/90/34/20/193903420.db2.gz FOJWPBGANZYCTQ-YLJYHZDGSA-N 0 0 444.553 3.363 50 0 IGAARN COc1cccc(N2CCN(Cc3nc(N)nc(Nc4cccc(Cl)c4C)n3)CC2)c1 ZINC000054146971 193929416 /nfs/dbraw/zinc/92/94/16/193929416.db2.gz AQMDPSNRBMRBHQ-UHFFFAOYSA-N 0 0 439.951 3.490 50 0 IGAARN COC(=O)c1nc(NC(=O)CCCc2nnc3ccc(Cl)nn32)sc1CC(C)C ZINC000096223608 193936794 /nfs/dbraw/zinc/93/67/94/193936794.db2.gz WYVAEHBOSGCGAS-UHFFFAOYSA-N 0 0 436.925 3.181 50 0 IGAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009161411 132227132 /nfs/dbraw/zinc/22/71/32/132227132.db2.gz KMTHTDBHFABFEG-IBGZPJMESA-N 0 0 435.446 3.321 50 0 IGAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCN(c2ccccc2)CC1 ZINC000009489707 132232121 /nfs/dbraw/zinc/23/21/21/132232121.db2.gz NTAOKMNAIOMKTE-UHFFFAOYSA-N 0 0 436.566 3.294 50 0 IGAARN C[C@@H]1Cn2c3c(nc2N(c2cccc(Cl)c2)C1)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009519245 132233038 /nfs/dbraw/zinc/23/30/38/132233038.db2.gz OPNQDNNZHXHHMR-HNNXBMFYSA-N 0 0 435.915 3.386 50 0 IGAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1C)c3=O ZINC000009519219 132233083 /nfs/dbraw/zinc/23/30/83/132233083.db2.gz RVUFKSWCPMFRLI-MRXNPFEDSA-N 0 0 445.523 3.050 50 0 IGAARN COc1cc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O ZINC000010184916 132242904 /nfs/dbraw/zinc/24/29/04/132242904.db2.gz YHHPEAQMKYLSIO-QGZVFWFLSA-N 0 0 438.528 3.098 50 0 IGAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001425941 132245241 /nfs/dbraw/zinc/24/52/41/132245241.db2.gz GEHNDWCCZLIJJL-UHFFFAOYSA-N 0 0 449.960 3.213 50 0 IGAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000003216346 132262201 /nfs/dbraw/zinc/26/22/01/132262201.db2.gz BCIBHWYCVNNTIX-UHFFFAOYSA-N 0 0 428.485 3.498 50 0 IGAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003250146 132262686 /nfs/dbraw/zinc/26/26/86/132262686.db2.gz DRCNKJUUAFXBPY-SOFGYWHQSA-N 0 0 435.274 3.074 50 0 IGAARN COc1ccccc1N1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)CC1 ZINC000003359299 132264427 /nfs/dbraw/zinc/26/44/27/132264427.db2.gz PKDSKYCBZJUNQQ-QFIPXVFZSA-N 0 0 445.519 3.204 50 0 IGAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000004104127 132269541 /nfs/dbraw/zinc/26/95/41/132269541.db2.gz LECIOHXAJRDKSY-UHFFFAOYSA-N 0 0 430.526 3.187 50 0 IGAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000004109457 132269731 /nfs/dbraw/zinc/26/97/31/132269731.db2.gz WMYXDUOPZQNRKG-UHFFFAOYSA-N 0 0 428.533 3.401 50 0 IGAARN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000004710627 132272774 /nfs/dbraw/zinc/27/27/74/132272774.db2.gz ZZTXHHFZIKPISV-UHFFFAOYSA-N 0 0 427.501 3.023 50 0 IGAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)CC2)c1C ZINC000004790009 132274236 /nfs/dbraw/zinc/27/42/36/132274236.db2.gz DBVSVMYKVFRCEJ-LJQANCHMSA-N 0 0 447.626 3.114 50 0 IGAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5cc(C)ccc5C)CC4)c3c2c1 ZINC000008599899 132286141 /nfs/dbraw/zinc/28/61/41/132286141.db2.gz ZZZULHVUJCLZBX-UHFFFAOYSA-N 0 0 430.508 3.417 50 0 IGAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000008601076 132286534 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IGAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 ZINC000012525950 525224857 /nfs/dbraw/zinc/22/48/57/525224857.db2.gz PDCVPAFKNXNYID-UHFFFAOYSA-N 0 0 428.539 3.330 50 0 IGAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000022703646 525239239 /nfs/dbraw/zinc/23/92/39/525239239.db2.gz UZPYXQJXBZYJRZ-NRFANRHFSA-N 0 0 446.507 3.238 50 0 IGAARN Cc1ccccc1NC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O ZINC000022852802 525239890 /nfs/dbraw/zinc/23/98/90/525239890.db2.gz VZKYAJFJVJGSRY-UHFFFAOYSA-N 0 0 447.535 3.284 50 0 IGAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1OC ZINC000035948932 525241084 /nfs/dbraw/zinc/24/10/84/525241084.db2.gz ZWELWPDXZFBUMW-KRWDZBQOSA-N 0 0 444.557 3.493 50 0 IGAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014251526 525247735 /nfs/dbraw/zinc/24/77/35/525247735.db2.gz UJIQCEIORNWSBG-FQEVSTJZSA-N 0 0 444.553 3.466 50 0 IGAARN COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 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IGAARN COc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC ZINC000001150378 555656113 /nfs/dbraw/zinc/65/61/13/555656113.db2.gz GCKALKXYNZTRIP-UHFFFAOYSA-N 0 0 433.313 3.415 50 0 IGAARN CC[C@H](OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)c1ccccc1 ZINC000001154871 555658405 /nfs/dbraw/zinc/65/84/05/555658405.db2.gz LMNKGXDUBQXMRL-INIZCTEOSA-N 0 0 430.254 3.250 50 0 IGAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000001161407 555662041 /nfs/dbraw/zinc/66/20/41/555662041.db2.gz DXOJHLWUIQCLDJ-UHFFFAOYSA-N 0 0 437.359 3.262 50 0 IGAARN CN(C)c1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000001193933 555676130 /nfs/dbraw/zinc/67/61/30/555676130.db2.gz CUBJUDWTXZYSGW-TXNPELCJSA-N 0 0 447.572 3.476 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000001213767 555683107 /nfs/dbraw/zinc/68/31/07/555683107.db2.gz UVFIRIWSXWHAAU-RJKLFALQSA-N 0 0 446.528 3.082 50 0 IGAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)c(OC)c1 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428.963 3.023 50 0 IGAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4)c3n2)cc1 ZINC000002219784 555759296 /nfs/dbraw/zinc/75/92/96/555759296.db2.gz CFCZEZZQNPCDRT-UHFFFAOYSA-N 0 0 426.427 3.348 50 0 IGAARN CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1CC ZINC000002359105 555771678 /nfs/dbraw/zinc/77/16/78/555771678.db2.gz BWZSCHZJQCRMEX-VIFPVBQESA-N 0 0 432.283 3.065 50 0 IGAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1 ZINC000002623754 555790072 /nfs/dbraw/zinc/79/00/72/555790072.db2.gz OHDWILKDWYHWQT-UHFFFAOYSA-N 0 0 445.526 3.347 50 0 IGAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)Cc4ccccc4)cn3)CC2)cc1 ZINC000034671987 555793501 /nfs/dbraw/zinc/79/35/01/555793501.db2.gz QBIGUJWTLJLWAW-UHFFFAOYSA-N 0 0 430.508 3.234 50 0 IGAARN COc1cc(CN2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)ccc1O ZINC000034678047 555796478 /nfs/dbraw/zinc/79/64/78/555796478.db2.gz UWFACVJFEUDNAS-UHFFFAOYSA-N 0 0 440.475 3.098 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccccc1 ZINC000002696043 555799761 /nfs/dbraw/zinc/79/97/61/555799761.db2.gz KVTBKWUVNSDZGS-DPWKNNTCSA-N 0 0 442.899 3.201 50 0 IGAARN COCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(OC)cc1 ZINC000002717612 555801742 /nfs/dbraw/zinc/80/17/42/555801742.db2.gz OOWLOIVSPBGJRD-FQEVSTJZSA-N 0 0 446.569 3.212 50 0 IGAARN COC(=O)c1ccc(COn2c(=O)c(-c3cc4ccccc4o3)[n+]([O-])c3ccccc32)cc1 ZINC000002844264 555837013 /nfs/dbraw/zinc/83/70/13/555837013.db2.gz HUFFNBDVYAFPHA-UHFFFAOYSA-N 0 0 442.427 3.464 50 0 IGAARN COC(=O)c1sc(NC(=S)Nc2ccc(N(C)C(C)=O)cc2)c(C(=O)OC)c1C ZINC000002858495 555842939 /nfs/dbraw/zinc/84/29/39/555842939.db2.gz MXELDDIUHRXEQV-UHFFFAOYSA-N 0 0 435.527 3.421 50 0 IGAARN O=C(C[C@@]1(O)c2ccccc2N(CCOc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000002863280 555846012 /nfs/dbraw/zinc/84/60/12/555846012.db2.gz BJZYENZTGODKCC-AREMUKBSSA-N 0 0 445.471 3.344 50 0 IGAARN CC(=O)c1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000002869264 555849088 /nfs/dbraw/zinc/84/90/88/555849088.db2.gz KEKHPLIXFJRBGC-UHFFFAOYSA-N 0 0 428.554 3.137 50 0 IGAARN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000002881542 555855622 /nfs/dbraw/zinc/85/56/22/555855622.db2.gz GPCXLSZTHURHCM-OAHLLOKOSA-N 0 0 443.352 3.484 50 0 IGAARN CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000002884851 555857533 /nfs/dbraw/zinc/85/75/33/555857533.db2.gz FHOXDLLMWGBVCM-ROUUACIJSA-N 0 0 449.536 3.418 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)CCCC2 ZINC000002887439 555858598 /nfs/dbraw/zinc/85/85/98/555858598.db2.gz VYTOTKUTRTXRCX-UHFFFAOYSA-N 0 0 429.527 3.120 50 0 aggregator IGAARN Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)c1 ZINC000034809702 555908206 /nfs/dbraw/zinc/90/82/06/555908206.db2.gz XJKAGLPKXXHKLS-UHFFFAOYSA-N 0 0 443.551 3.187 50 0 IGAARN COc1ccccc1[C@H]1NC(=O)N(C)C2=C1C(=O)N([C@H](C)C(=O)Nc1ccc(C)c(C)c1)C2 ZINC000034793177 555916915 /nfs/dbraw/zinc/91/69/15/555916915.db2.gz UFOXGKFIGIUIOT-OPAMFIHVSA-N 0 0 448.523 3.132 50 0 IGAARN COCCCNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034917027 555930909 /nfs/dbraw/zinc/93/09/09/555930909.db2.gz WVPXVQWJOVUTFF-LBPRGKRZSA-N 0 0 426.357 3.225 50 0 IGAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000003849450 555949009 /nfs/dbraw/zinc/94/90/09/555949009.db2.gz YWIQNALHONONGP-OAQYLSRUSA-N 0 0 446.503 3.276 50 0 IGAARN CN(C)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 ZINC000004089277 555961072 /nfs/dbraw/zinc/96/10/72/555961072.db2.gz UQHLOMALOHSNMP-UHFFFAOYSA-N 0 0 425.295 3.484 50 0 IGAARN CC(C)[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O ZINC000004289943 555983087 /nfs/dbraw/zinc/98/30/87/555983087.db2.gz WAABZMWPEBPFFT-XIKOKIGWSA-N 0 0 439.537 3.231 50 0 IGAARN CC(C)CN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)COc1ccccc1 ZINC000004514285 555998765 /nfs/dbraw/zinc/99/87/65/555998765.db2.gz QWXUVRRWZGDFHQ-QFIPXVFZSA-N 0 0 428.529 3.351 50 0 IGAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCOC)cc1 ZINC000004520135 555999341 /nfs/dbraw/zinc/99/93/41/555999341.db2.gz ISAOFDPLNSMNRD-HXUWFJFHSA-N 0 0 425.485 3.070 50 0 IGAARN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000006578039 556095558 /nfs/dbraw/zinc/09/55/58/556095558.db2.gz IRGGODLCFAMNGS-UHFFFAOYSA-N 0 0 447.601 3.201 50 0 IGAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002710029 556124804 /nfs/dbraw/zinc/12/48/04/556124804.db2.gz VCEGYQIPZGVMEO-KRWDZBQOSA-N 0 0 426.856 3.319 50 0 IGAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC ZINC000002724075 556127378 /nfs/dbraw/zinc/12/73/78/556127378.db2.gz KSYNBHXOBMLFGL-UHFFFAOYSA-N 0 0 440.525 3.170 50 0 IGAARN Cc1nn(C)c(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC(C)C)c1Cl ZINC000002782263 556138061 /nfs/dbraw/zinc/13/80/61/556138061.db2.gz CCMPHYUTDHAVST-UHFFFAOYSA-N 0 0 426.926 3.271 50 0 IGAARN COC(=O)COc1c(Br)cc(Br)c(C=O)c1Br ZINC000002766619 556139617 /nfs/dbraw/zinc/13/96/17/556139617.db2.gz NPGNSVJITDPFRE-UHFFFAOYSA-N 0 0 430.874 3.338 50 0 IGAARN O=C(NCCCn1cc(Br)cn1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002779126 556141296 /nfs/dbraw/zinc/14/12/96/556141296.db2.gz XHZMMRSPUHFETH-UHFFFAOYSA-N 0 0 439.264 3.323 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cn3ccc(C)n3)o1)CCCC2 ZINC000002805416 556143623 /nfs/dbraw/zinc/14/36/23/556143623.db2.gz VYVSKGRKBOXGBS-UHFFFAOYSA-N 0 0 447.542 3.081 50 0 IGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)NC1CCCC1 ZINC000002972047 556152183 /nfs/dbraw/zinc/15/21/83/556152183.db2.gz YUBNYZBNOCMFEL-UHFFFAOYSA-N 0 0 437.521 3.324 50 0 IGAARN Cc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)CS(=O)(=O)C3)c(C)c1 ZINC000003009717 556155612 /nfs/dbraw/zinc/15/56/12/556155612.db2.gz AXGNYLHIODTXJT-INIZCTEOSA-N 0 0 425.510 3.324 50 0 IGAARN CCN(CC)c1ccc([C@@H]2[C@@H](C(=O)OC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1 ZINC000008671983 556198479 /nfs/dbraw/zinc/19/84/79/556198479.db2.gz CQAILSXGLKOREC-XOEOCAAJSA-N 0 0 447.572 3.476 50 0 IGAARN O=C(NCCCO)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000008720976 556202787 /nfs/dbraw/zinc/20/27/87/556202787.db2.gz VYIXWGDCTGPOCU-BUFBROKXSA-N 0 0 429.314 3.275 50 0 IGAARN CN(Cc1ccccc1N1CCCC1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008745353 556208806 /nfs/dbraw/zinc/20/88/06/556208806.db2.gz NTTUZRXPLKKOCF-UHFFFAOYSA-N 0 0 447.626 3.408 50 0 IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1c(Cl)cccc1Cl ZINC000008748180 556210325 /nfs/dbraw/zinc/21/03/25/556210325.db2.gz FQACVCUXLWECJC-CQSZACIVSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1cccc(F)c1 ZINC000008748638 556210385 /nfs/dbraw/zinc/21/03/85/556210385.db2.gz YOLPUAJIOHMXID-INIZCTEOSA-N 0 0 427.453 3.285 50 0 IGAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc(Cl)c1Cl ZINC000008926153 556234129 /nfs/dbraw/zinc/23/41/29/556234129.db2.gz VQLRJUHFEBTSPY-LSDHHAIUSA-N 0 0 440.286 3.470 50 0 IGAARN Cc1ccc(N2C(=S)N=NC2Cn2ncc3ccccc3c2=O)c(Br)c1 ZINC000009010130 556240528 /nfs/dbraw/zinc/24/05/28/556240528.db2.gz HILXQYJRECRDIX-UHFFFAOYSA-N 0 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CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ccn3n2)cc1 ZINC000009321180 556281048 /nfs/dbraw/zinc/28/10/48/556281048.db2.gz CCUIJXOKYXJOOR-UHFFFAOYSA-N 0 0 448.479 3.218 50 0 IGAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000009410058 556288127 /nfs/dbraw/zinc/28/81/27/556288127.db2.gz NTGLJXXNEAIHAU-GOSISDBHSA-N 0 0 444.854 3.410 50 0 IGAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccccc1 ZINC000009410918 556288454 /nfs/dbraw/zinc/28/84/54/556288454.db2.gz VQJKSHNLGWYYAF-FQEVSTJZSA-N 0 0 435.571 3.339 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000009427133 556290673 /nfs/dbraw/zinc/29/06/73/556290673.db2.gz KPEALYHAHNCYLF-KRWDZBQOSA-N 0 0 436.497 3.051 50 0 IGAARN O=C(NC1CC1)c1sccc1-n1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O ZINC000013722402 556290959 /nfs/dbraw/zinc/29/09/59/556290959.db2.gz MKTGLMIXQBRMEI-UHFFFAOYSA-N 0 0 435.480 3.294 50 0 IGAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2ccccc2OC)cc1OCC ZINC000097655870 556291258 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IGAARN O=C(c1cccs1)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 ZINC000009892387 556315628 /nfs/dbraw/zinc/31/56/28/556315628.db2.gz UHIYGWARZYOQSE-NRFANRHFSA-N 0 0 445.544 3.433 50 0 IGAARN CCOc1ccc(NC(=S)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(CC)cc2)cc1 ZINC000009971143 556319250 /nfs/dbraw/zinc/31/92/50/556319250.db2.gz WVIDZEUATIDKLQ-HXUWFJFHSA-N 0 0 440.569 3.174 50 0 IGAARN CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC000013856730 556321407 /nfs/dbraw/zinc/32/14/07/556321407.db2.gz DWZMSEYMGKLMMG-KRWDZBQOSA-N 0 0 440.471 3.043 50 0 IGAARN COc1ccccc1C(=O)C[C@@]1(O)c2ccccc2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000010059175 556324031 /nfs/dbraw/zinc/32/40/31/556324031.db2.gz HQENIPYIIBWJJS-RUZDIDTESA-N 0 0 431.444 3.431 50 0 IGAARN COc1ccc(OC)c([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c(=O)c3Nc3nnnn32)c1 ZINC000010232711 556327859 /nfs/dbraw/zinc/32/78/59/556327859.db2.gz IFDOJWTZNRRPKV-GOSISDBHSA-N 0 0 437.847 3.201 50 0 IGAARN COc1ccc(OCc2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1 ZINC000010312297 556330466 /nfs/dbraw/zinc/33/04/66/556330466.db2.gz AKCYLEYMBKQGMI-UHFFFAOYSA-N 0 0 428.470 3.466 50 0 IGAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2)CC1=O ZINC000010462033 556335587 /nfs/dbraw/zinc/33/55/87/556335587.db2.gz DSHRCVRRCAIMPN-GOSISDBHSA-N 0 0 436.512 3.484 50 0 IGAARN C[C@H]1Oc2ccc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2NC1=O ZINC000032772831 556335649 /nfs/dbraw/zinc/33/56/49/556335649.db2.gz PFJGSDBKPVURSB-LLVKDONJSA-N 0 0 438.509 3.154 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000013949074 556344159 /nfs/dbraw/zinc/34/41/59/556344159.db2.gz XNWOYSSBQREJFD-UHFFFAOYSA-N 0 0 430.498 3.186 50 0 IGAARN C[C@H](O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 ZINC000013957415 556345190 /nfs/dbraw/zinc/34/51/90/556345190.db2.gz YDRCTRWIKJOEBL-JTQLQIEISA-N 0 0 425.222 3.368 50 0 IGAARN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCN(c2ncccn2)CC1 ZINC000011719103 556348549 /nfs/dbraw/zinc/34/85/49/556348549.db2.gz DUCFBIGVERBHSX-UHFFFAOYSA-N 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C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000014128590 556373507 /nfs/dbraw/zinc/37/35/07/556373507.db2.gz ZHLYTZBLZZMPPO-CALCHBBNSA-N 0 0 446.544 3.428 50 0 IGAARN O=C(CNC(=O)CSc1ncnc2sccc21)Nc1ccccc1Br ZINC000014140259 556376397 /nfs/dbraw/zinc/37/63/97/556376397.db2.gz FADRYFYCMWENPI-UHFFFAOYSA-N 0 0 437.344 3.301 50 0 IGAARN COCCS(=O)(=O)c1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccccc1 ZINC000011935623 556378388 /nfs/dbraw/zinc/37/83/88/556378388.db2.gz BEGDIRAJAAGKAI-SFTDATJTSA-N 0 0 431.602 3.364 50 0 IGAARN O=C(NCCn1ccc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000011937873 556379575 /nfs/dbraw/zinc/37/95/75/556379575.db2.gz BCPACKWGFMKLNQ-UHFFFAOYSA-N 0 0 428.452 3.219 50 0 IGAARN O=C(CCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014170197 556381319 /nfs/dbraw/zinc/38/13/19/556381319.db2.gz XTOSFVBNCXHRCV-UHFFFAOYSA-N 0 0 426.513 3.445 50 0 IGAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014169805 556381356 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C[C@@H]1CN(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000014196684 556388479 /nfs/dbraw/zinc/38/84/79/556388479.db2.gz QNJJKGLNHMCSHR-RTBURBONSA-N 0 0 440.569 3.325 50 0 IGAARN O=C(c1ccncc1)N1CCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 ZINC000014198894 556390002 /nfs/dbraw/zinc/39/00/02/556390002.db2.gz WWPYTZLSEKOMJM-HSZRJFAPSA-N 0 0 441.487 3.134 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1N1CCCC1 ZINC000014200050 556390570 /nfs/dbraw/zinc/39/05/70/556390570.db2.gz GMINDQKRIATTOS-UHFFFAOYSA-N 0 0 444.557 3.117 50 0 IGAARN COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)COc3ccc(C)cc3)C2)cc1 ZINC000012040921 556390724 /nfs/dbraw/zinc/39/07/24/556390724.db2.gz TWPNMRSEQYFGST-QPPBQGQZSA-N 0 0 436.552 3.465 50 0 IGAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014217750 556393085 /nfs/dbraw/zinc/39/30/85/556393085.db2.gz RCWMABPWVDTKAQ-UHFFFAOYSA-N 0 0 446.331 3.078 50 0 IGAARN COCC(=O)Nc1cccc(-c2nc(CNC(=O)CCc3cccc(OC)c3)c(C)o2)c1 ZINC000012056293 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0 0 431.897 3.276 50 0 IGAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)c(OC)c1 ZINC000032960091 556556108 /nfs/dbraw/zinc/55/61/08/556556108.db2.gz APEZARDZFKGBEB-GOSISDBHSA-N 0 0 438.528 3.432 50 0 IGAARN CCOC(=O)CSc1nn(CC)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839303 556556352 /nfs/dbraw/zinc/55/63/52/556556352.db2.gz FTUCLNHKJDXBIO-QFIPXVFZSA-N 0 0 426.542 3.457 50 0 IGAARN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2CCc2ccc(F)cc2)cc1 ZINC000013682344 556557452 /nfs/dbraw/zinc/55/74/52/556557452.db2.gz GEJPKWWXIJBDTE-WOJBJXKFSA-N 0 0 434.558 3.147 50 0 IGAARN C[C@H](NC(=O)CSCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1Cl ZINC000011096999 556559317 /nfs/dbraw/zinc/55/93/17/556559317.db2.gz OAAPGZBIMAPTQE-ZDUSSCGKSA-N 0 0 438.958 3.095 50 0 IGAARN O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC1CCCCCC1 ZINC000015879709 556560579 /nfs/dbraw/zinc/56/05/79/556560579.db2.gz RGNQQEGDVDHMBH-UHFFFAOYSA-N 0 0 444.553 3.161 50 0 IGAARN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3c(C)cccc3C)[nH]c2=O)cc1 ZINC000015882040 556560946 /nfs/dbraw/zinc/56/09/46/556560946.db2.gz NOTDPZBNLYWESU-UHFFFAOYSA-N 0 0 436.497 3.248 50 0 IGAARN O=C(CNC(=O)c1cccc(Cl)c1)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000015912338 556563161 /nfs/dbraw/zinc/56/31/61/556563161.db2.gz ZMALQIDMXKPDJO-UHFFFAOYSA-N 0 0 428.916 3.094 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000015919210 556563659 /nfs/dbraw/zinc/56/36/59/556563659.db2.gz LSPORSJYLUNKMN-UHFFFAOYSA-N 0 0 428.554 3.071 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCC2 ZINC000015946661 556567325 /nfs/dbraw/zinc/56/73/25/556567325.db2.gz VVLCNLQJWHYGGV-UHFFFAOYSA-N 0 0 449.960 3.422 50 0 IGAARN Cc1cc(NC(=O)CN(C)CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)no1 ZINC000072309109 556569352 /nfs/dbraw/zinc/56/93/52/556569352.db2.gz ZRHAGAKNZGGIOG-QFIPXVFZSA-N 0 0 446.935 3.004 50 0 IGAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1C ZINC000015999162 556572452 /nfs/dbraw/zinc/57/24/52/556572452.db2.gz ODGLKQQJSRDQJP-VKDGWMQASA-N 0 0 435.911 3.388 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000016034410 556577443 /nfs/dbraw/zinc/57/74/43/556577443.db2.gz XXSFYXYFPKKBAM-ZPBCLNFZSA-N 0 0 438.936 3.452 50 0 IGAARN CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000060239472 556580303 /nfs/dbraw/zinc/58/03/03/556580303.db2.gz NJKHTNKFAVJQOR-UHFFFAOYSA-N 0 0 434.521 3.386 50 0 IGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000016050279 556580826 /nfs/dbraw/zinc/58/08/26/556580826.db2.gz ILNYXISELHTRPG-FQEVSTJZSA-N 0 0 430.526 3.281 50 0 IGAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000016084492 556582006 /nfs/dbraw/zinc/58/20/06/556582006.db2.gz DUOUYCYASNYLHN-HXUWFJFHSA-N 0 0 445.537 3.044 50 0 IGAARN C[N@@H+]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016097324 556582684 /nfs/dbraw/zinc/58/26/84/556582684.db2.gz VJANLSHKFNPPCQ-UHFFFAOYSA-N 0 0 431.949 3.226 50 0 IGAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000034873448 556585048 /nfs/dbraw/zinc/58/50/48/556585048.db2.gz ANVJQFTZWXOZJC-UGKGYDQZSA-N 0 0 441.528 3.467 50 0 IGAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000032969305 556588831 /nfs/dbraw/zinc/58/88/31/556588831.db2.gz IDNJHRHPNFRNMW-UHFFFAOYSA-N 0 0 433.386 3.070 50 0 IGAARN CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 ZINC000010611413 556590663 /nfs/dbraw/zinc/59/06/63/556590663.db2.gz YPAXLLLJIBOMTK-RBBKRZOGSA-N 0 0 436.487 3.283 50 0 IGAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000016200348 556590709 /nfs/dbraw/zinc/59/07/09/556590709.db2.gz BDYZQDUWPJTNFP-UHFFFAOYSA-N 0 0 437.521 3.330 50 0 IGAARN C[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000072311874 556591682 /nfs/dbraw/zinc/59/16/82/556591682.db2.gz LPBYTUGMXLZNAA-KRWDZBQOSA-N 0 0 441.528 3.474 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000016252434 556594692 /nfs/dbraw/zinc/59/46/92/556594692.db2.gz DEKXAXGGDMSKCF-UHFFFAOYSA-N 0 0 448.523 3.117 50 0 IGAARN Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000036235668 556595082 /nfs/dbraw/zinc/59/50/82/556595082.db2.gz LDUNGULQGSCAPP-UHFFFAOYSA-N 0 0 446.342 3.338 50 0 IGAARN Cc1cc(OCC(=O)N2CCC(c3nnc4ccccn43)CC2)c2c(C)cc(=O)oc2c1 ZINC000036367043 556597250 /nfs/dbraw/zinc/59/72/50/556597250.db2.gz BRONEFLJSZXSGW-UHFFFAOYSA-N 0 0 432.480 3.238 50 0 IGAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cc1Cl ZINC000016325648 556600818 /nfs/dbraw/zinc/60/08/18/556600818.db2.gz VHKNBGQRUZCEEK-CMPLNLGQSA-N 0 0 447.007 3.027 50 0 IGAARN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1I ZINC000016400664 556605817 /nfs/dbraw/zinc/60/58/17/556605817.db2.gz MMMZFAJJTMNEQQ-UHFFFAOYSA-N 0 0 437.686 3.432 50 0 IGAARN CSc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987749 556608194 /nfs/dbraw/zinc/60/81/94/556608194.db2.gz KMBASJGFMMVMOA-UHFFFAOYSA-N 0 0 446.529 3.484 50 0 IGAARN COc1ccc([C@@H](NC(=O)CCNC(=O)c2ccc(Cl)cc2)c2nccn2C)cc1 ZINC000016473580 556609930 /nfs/dbraw/zinc/60/99/30/556609930.db2.gz ATTHDEOERPOTOW-HXUWFJFHSA-N 0 0 426.904 3.108 50 0 IGAARN CCCN(CC(F)(F)F)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000032915578 556612820 /nfs/dbraw/zinc/61/28/20/556612820.db2.gz XFDDSIWPPVFAGS-UHFFFAOYSA-N 0 0 438.376 3.160 50 0 IGAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000016649241 556620364 /nfs/dbraw/zinc/62/03/64/556620364.db2.gz UUEPUFRJDGOCDB-UHFFFAOYSA-N 0 0 449.598 3.316 50 0 IGAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)ccc3F)n2)cc1NC(C)=O ZINC000016650573 556620595 /nfs/dbraw/zinc/62/05/95/556620595.db2.gz DKCRFGZLPWCWKY-UHFFFAOYSA-N 0 0 426.423 3.348 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(cccc4F)s3)CC2)cc1 ZINC000016699515 556629428 /nfs/dbraw/zinc/62/94/28/556629428.db2.gz DNBXGVBEKPQLEW-UHFFFAOYSA-N 0 0 446.525 3.390 50 0 IGAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000033797296 556636166 /nfs/dbraw/zinc/63/61/66/556636166.db2.gz DMLNYBOCYBNNON-QYUDBREXSA-N 0 0 439.874 3.219 50 0 IGAARN COCc1nn2c(nnc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040391139 556637987 /nfs/dbraw/zinc/63/79/87/556637987.db2.gz OZQMHDQSAHBHAO-UHFFFAOYSA-N 0 0 427.464 3.310 50 0 IGAARN CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NC1CC1)C(=O)CO2 ZINC000037512700 556638617 /nfs/dbraw/zinc/63/86/17/556638617.db2.gz WBNJHAZNHJBWEE-UHFFFAOYSA-N 0 0 436.508 3.295 50 0 IGAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)NC(=O)NC(C)(C)C ZINC000016797859 556643162 /nfs/dbraw/zinc/64/31/62/556643162.db2.gz RAGSSHIXODTGDS-NSHDSACASA-N 0 0 425.942 3.152 50 0 IGAARN O=C(NCCCCNC(=O)N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCc2ccccc2C1 ZINC000040545025 556644314 /nfs/dbraw/zinc/64/43/14/556644314.db2.gz SEPDEHZFFICXCP-DNQXCXABSA-N 0 0 434.584 3.480 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011718672 556644470 /nfs/dbraw/zinc/64/44/70/556644470.db2.gz RYZSAFYBLCYYRV-ZDUSSCGKSA-N 0 0 427.979 3.171 50 0 IGAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000011739401 556649242 /nfs/dbraw/zinc/64/92/42/556649242.db2.gz BDSZFOCOSCJVKR-UHFFFAOYSA-N 0 0 428.495 3.292 50 0 IGAARN O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)Nc1ccc2c(c1)OCO2 ZINC000011738825 556649294 /nfs/dbraw/zinc/64/92/94/556649294.db2.gz JWQLZYLLMHRQFR-UHFFFAOYSA-N 0 0 426.429 3.328 50 0 IGAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000016926480 556649376 /nfs/dbraw/zinc/64/93/76/556649376.db2.gz MVIRKHQTPUUYIN-UHFFFAOYSA-N 0 0 431.377 3.026 50 0 IGAARN CC(=O)Nc1ccc(C(=O)NCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000011739627 556649640 /nfs/dbraw/zinc/64/96/40/556649640.db2.gz VRLNFFWIPXYQOI-GFCCVEGCSA-N 0 0 438.311 3.265 50 0 IGAARN COc1ccccc1CNC(=O)CSc1ccc(NC(=O)c2cccc(F)c2)nn1 ZINC000011737989 556649866 /nfs/dbraw/zinc/64/98/66/556649866.db2.gz AYSOYWFFPHMDHO-UHFFFAOYSA-N 0 0 426.473 3.285 50 0 IGAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751996 556651158 /nfs/dbraw/zinc/65/11/58/556651158.db2.gz UYNBHUCMYVQDIM-UHFFFAOYSA-N 0 0 435.408 3.037 50 0 IGAARN CN(CC(=O)NCCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000011752912 556651181 /nfs/dbraw/zinc/65/11/81/556651181.db2.gz STSJDOBCVBIEBJ-UHFFFAOYSA-N 0 0 436.537 3.086 50 0 IGAARN COc1c(OC(C)=O)ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000001514918 556652572 /nfs/dbraw/zinc/65/25/72/556652572.db2.gz AIHTUYKDRRAENE-GXDHUFHOSA-N 0 0 425.353 3.035 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5)no4)ccc3c2=O)cc1 ZINC000038655314 556653900 /nfs/dbraw/zinc/65/39/00/556653900.db2.gz DEWJVLMHPJAPFP-UHFFFAOYSA-N 0 0 426.432 3.464 50 0 IGAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CSc1nc2ccccc2o1 ZINC000033000616 556654016 /nfs/dbraw/zinc/65/40/16/556654016.db2.gz XTPKWIDAHHIMHA-UHFFFAOYSA-N 0 0 427.482 3.178 50 0 IGAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000011763247 556654449 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O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1Sc1nncs1 ZINC000058201299 556771066 /nfs/dbraw/zinc/77/10/66/556771066.db2.gz OJTZYZORSJWWEC-UHFFFAOYSA-N 0 0 431.543 3.273 50 0 IGAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 ZINC000058248043 556775461 /nfs/dbraw/zinc/77/54/61/556775461.db2.gz JITPGXIALKIFFW-JXMROGBWSA-N 0 0 444.937 3.127 50 0 IGAARN CC(C)N(C[C@@H](O)COc1cccc2ccccc21)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000058297086 556778333 /nfs/dbraw/zinc/77/83/33/556778333.db2.gz LTTCGXJIGAUKIR-HXUWFJFHSA-N 0 0 446.511 3.498 50 0 IGAARN CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br ZINC000058328470 556781222 /nfs/dbraw/zinc/78/12/22/556781222.db2.gz UCIFWXRLVMKYRN-UHFFFAOYSA-N 0 0 430.221 3.168 50 0 IGAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(C(N)=O)CC3)[C@H]2c2cccs2)cc1 ZINC000058381337 556784484 /nfs/dbraw/zinc/78/44/84/556784484.db2.gz PCWRTJCHEKPHTG-NQIIRXRSSA-N 0 0 425.554 3.265 50 0 IGAARN C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)c1nc2ccccc2[nH]1 ZINC000059299478 556797168 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CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100820313 557182755 /nfs/dbraw/zinc/18/27/55/557182755.db2.gz BOOOQAFUNRIUEG-DQRAZIAOSA-N 0 0 445.566 3.257 50 0 IGAARN O=C(c1ccc(-n2ccnc2)nc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024970138 557183686 /nfs/dbraw/zinc/18/36/86/557183686.db2.gz WJARLVUVRZFPLL-UHFFFAOYSA-N 0 0 448.527 3.488 50 0 IGAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000024970578 557183743 /nfs/dbraw/zinc/18/37/43/557183743.db2.gz GQACYKCIMMKTHO-OAHLLOKOSA-N 0 0 449.410 3.488 50 0 IGAARN Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCC1=O ZINC000024973115 557183966 /nfs/dbraw/zinc/18/39/66/557183966.db2.gz LMVYYMUEBVKHGC-HXUWFJFHSA-N 0 0 445.516 3.053 50 0 IGAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000024973820 557184234 /nfs/dbraw/zinc/18/42/34/557184234.db2.gz UFFONUKZJZMMBM-MDYRTPRTSA-N 0 0 439.537 3.323 50 0 IGAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cncc(Br)c2)cc1OCC ZINC000024980346 557185273 /nfs/dbraw/zinc/18/52/73/557185273.db2.gz GDAAZONZRKAXPI-UHFFFAOYSA-N 0 0 436.306 3.352 50 0 IGAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)cc1 ZINC000100821042 557186416 /nfs/dbraw/zinc/18/64/16/557186416.db2.gz IDSYAYWHPQVPTF-DQRAZIAOSA-N 0 0 447.582 3.410 50 0 IGAARN CCC(=O)N(c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1)C1CC1 ZINC000024988235 557186793 /nfs/dbraw/zinc/18/67/93/557186793.db2.gz OXTZATWNSWLDKJ-NSHDSACASA-N 0 0 434.543 3.142 50 0 IGAARN COc1ccccc1C(=O)NCc1nnc(SCc2nnc(-c3ccccc3)o2)n1C ZINC000009328100 557187002 /nfs/dbraw/zinc/18/70/02/557187002.db2.gz GNRLDPGGRWJQIF-UHFFFAOYSA-N 0 0 436.497 3.096 50 0 IGAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2C[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000024988480 557187017 /nfs/dbraw/zinc/18/70/17/557187017.db2.gz LZBBTLWLVMZDKY-OALUTQOASA-N 0 0 428.554 3.070 50 0 IGAARN Nc1ncnc2sc3c(c21)CCN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)C3 ZINC000024993342 557188349 /nfs/dbraw/zinc/18/83/49/557188349.db2.gz FIAXVZZNGYHJFN-UHFFFAOYSA-N 0 0 432.431 3.227 50 0 IGAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000025061181 557193280 /nfs/dbraw/zinc/19/32/80/557193280.db2.gz DLVIRNSZVZONLZ-UHFFFAOYSA-N 0 0 431.901 3.142 50 0 IGAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cc(OC)cc(OC)c1 ZINC000100873066 557195941 /nfs/dbraw/zinc/19/59/41/557195941.db2.gz DLFFTXVJZDFQNF-LNVKXUELSA-N 0 0 429.498 3.066 50 0 IGAARN CCOc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)NC2=S)cc1 ZINC000100882013 557198325 /nfs/dbraw/zinc/19/83/25/557198325.db2.gz DSLNOPVAGRQLDL-NXVVXOECSA-N 0 0 444.310 3.432 50 0 IGAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000025302055 557203160 /nfs/dbraw/zinc/20/31/60/557203160.db2.gz FTUNEZKGOXPAFS-UHFFFAOYSA-N 0 0 426.498 3.140 50 0 IGAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025339644 557205316 /nfs/dbraw/zinc/20/53/16/557205316.db2.gz UMBCPJGPGMIUOC-GFCCVEGCSA-N 0 0 444.841 3.427 50 0 IGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000018012570 557209176 /nfs/dbraw/zinc/20/91/76/557209176.db2.gz DELIBGKLUOUSDH-UHFFFAOYSA-N 0 0 435.402 3.423 50 0 IGAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@@H](CC(=O)NCc3cccs3)CS2)c1 ZINC000011613378 557209525 /nfs/dbraw/zinc/20/95/25/557209525.db2.gz BTIAIWWMRVOALG-HNNXBMFYSA-N 0 0 437.550 3.305 50 0 IGAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@@H](CC(=O)Nc3cccc(C)n3)CS2)c1 ZINC000011613384 557209573 /nfs/dbraw/zinc/20/95/73/557209573.db2.gz PGVPJYXSPQNOBQ-INIZCTEOSA-N 0 0 432.509 3.270 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000169779254 557212272 /nfs/dbraw/zinc/21/22/72/557212272.db2.gz SVYZVUWMUOUPKL-UHFFFAOYSA-N 0 0 444.894 3.441 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c1C ZINC000025667344 557220998 /nfs/dbraw/zinc/22/09/98/557220998.db2.gz JTHDBSSVTCFLTF-UHFFFAOYSA-N 0 0 445.522 3.276 50 0 IGAARN Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000010556082 557223380 /nfs/dbraw/zinc/22/33/80/557223380.db2.gz DPRVROLVZDCJFS-UHFFFAOYSA-N 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Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H](C)C(=O)NC1CCCCC1 ZINC000011476470 557229485 /nfs/dbraw/zinc/22/94/85/557229485.db2.gz SQASHIMAHKLDOU-QGZVFWFLSA-N 0 0 436.574 3.164 50 0 IGAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000025906616 557229945 /nfs/dbraw/zinc/22/99/45/557229945.db2.gz FRKJICXCMMTLDM-INIZCTEOSA-N 0 0 437.427 3.109 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000011612788 557230299 /nfs/dbraw/zinc/23/02/99/557230299.db2.gz MNVKECBSOSGYBZ-LJQANCHMSA-N 0 0 431.558 3.333 50 0 IGAARN COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000011612800 557230371 /nfs/dbraw/zinc/23/03/71/557230371.db2.gz WCBKYAGJQOOUAT-INIZCTEOSA-N 0 0 436.505 3.415 50 0 IGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC000018081265 557235702 /nfs/dbraw/zinc/23/57/02/557235702.db2.gz FOQASWHVBZAYPI-UHFFFAOYSA-N 0 0 433.559 3.499 50 0 IGAARN O=C(Cc1ccccc1Br)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000098212948 557236051 /nfs/dbraw/zinc/23/60/51/557236051.db2.gz BWVZBGGVLKOSBV-KRWDZBQOSA-N 0 0 441.329 3.432 50 0 IGAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000026134141 557236156 /nfs/dbraw/zinc/23/61/56/557236156.db2.gz AAOGCNZVKFPNBA-SFHVURJKSA-N 0 0 444.528 3.279 50 0 IGAARN COc1ccc(OCCN2CCN(C(=O)c3cc(OC)ccc3Br)CC2)cc1 ZINC000018112018 557237925 /nfs/dbraw/zinc/23/79/25/557237925.db2.gz KENAJQIBDZVNFS-UHFFFAOYSA-N 0 0 449.345 3.303 50 0 IGAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000011004637 557239308 /nfs/dbraw/zinc/23/93/08/557239308.db2.gz BXZGWKFUDMZBKO-CYBMUJFWSA-N 0 0 444.871 3.264 50 0 IGAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000011004640 557239376 /nfs/dbraw/zinc/23/93/76/557239376.db2.gz BXZGWKFUDMZBKO-ZDUSSCGKSA-N 0 0 444.871 3.264 50 0 IGAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)Nc3ccc(Br)c(C)c3)n2)cc1 ZINC000583649210 557240365 /nfs/dbraw/zinc/24/03/65/557240365.db2.gz KULLFEYOJXYDJU-KRWDZBQOSA-N 0 0 431.290 3.344 50 0 IGAARN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000026393899 557240466 /nfs/dbraw/zinc/24/04/66/557240466.db2.gz FBPNWMXOQVNSTO-INIZCTEOSA-N 0 0 443.550 3.124 50 0 IGAARN COc1cccc(NC(=O)NCc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)c1 ZINC000583649865 557240573 /nfs/dbraw/zinc/24/05/73/557240573.db2.gz ZHDUTMPVOMCNMH-HNNXBMFYSA-N 0 0 439.447 3.055 50 0 IGAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)Nc3ccc(C)cc3Br)n2)cc1 ZINC000583649665 557240635 /nfs/dbraw/zinc/24/06/35/557240635.db2.gz SKONYZMJCGKKLM-KRWDZBQOSA-N 0 0 431.290 3.344 50 0 IGAARN CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000100116399 557240916 /nfs/dbraw/zinc/24/09/16/557240916.db2.gz OPUIFMOEKSUETI-GJZGRUSLSA-N 0 0 432.933 3.387 50 0 IGAARN Cc1ccc(C(=O)NCc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1F ZINC000583648958 557241823 /nfs/dbraw/zinc/24/18/23/557241823.db2.gz FTVMYWBWUPBFMD-MRXNPFEDSA-N 0 0 426.423 3.102 50 0 IGAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000026481089 557242355 /nfs/dbraw/zinc/24/23/55/557242355.db2.gz KFNRDBCMAMQLIO-MRXNPFEDSA-N 0 0 446.525 3.403 50 0 IGAARN O=C(NCc1cccnc1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952082 557247082 /nfs/dbraw/zinc/24/70/82/557247082.db2.gz RVAVNUUCUZCYMN-UHFFFAOYSA-N 0 0 428.477 3.373 50 0 IGAARN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000026735749 557247430 /nfs/dbraw/zinc/24/74/30/557247430.db2.gz DURXRYKOVPQSKX-GOSISDBHSA-N 0 0 429.542 3.299 50 0 IGAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccccn1 ZINC000604404974 557248393 /nfs/dbraw/zinc/24/83/93/557248393.db2.gz KMKNAHVBAHEMLD-XMMPIXPASA-N 0 0 440.503 3.336 50 0 IGAARN Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(Cl)cc4Cl)sc3nc2=O)cc1 ZINC000026779460 557248461 /nfs/dbraw/zinc/24/84/61/557248461.db2.gz NCDKMSAXRWSGGQ-RQZCQDPDSA-N 0 0 430.316 3.265 50 0 IGAARN CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)Cc1ccc2c(c1)OCCO2 ZINC000026902921 557250517 /nfs/dbraw/zinc/25/05/17/557250517.db2.gz AIGONSLUXSNGTC-UHFFFAOYSA-N 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50 0 IGAARN C=C1C(N2CCC(NC(=O)NCC(C)C)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065271839 569128720 /nfs/dbraw/zinc/12/87/20/569128720.db2.gz RQBLUJCQNQUQKR-UHFFFAOYSA-N 0 0 438.981 3.233 50 0 IGAARN O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272794 569129046 /nfs/dbraw/zinc/12/90/46/569129046.db2.gz KOPLLVGIPUVXRG-CQSZACIVSA-N 0 0 436.936 3.434 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(F)c(C)c2)CC3)CC1 ZINC000065273542 569129748 /nfs/dbraw/zinc/12/97/48/569129748.db2.gz RZPPCTJAEMKRCD-OAHLLOKOSA-N 0 0 430.549 3.393 50 0 IGAARN COc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273608 569129881 /nfs/dbraw/zinc/12/98/81/569129881.db2.gz OHSIYQMPNMPCHA-MRXNPFEDSA-N 0 0 442.585 3.200 50 0 IGAARN O=C(Nc1cccc(F)c1)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273733 569130039 /nfs/dbraw/zinc/13/00/39/569130039.db2.gz PMKVWQGQXIGRDK-INIZCTEOSA-N 0 0 442.560 3.475 50 0 IGAARN CC(C)Cn1c2ccccc2n2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1=O 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COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010217060 569153276 /nfs/dbraw/zinc/15/32/76/569153276.db2.gz NOAGFVGTQOXCDS-UHFFFAOYSA-N 0 0 448.479 3.101 50 0 IGAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc(F)cc1F ZINC000010385131 569154585 /nfs/dbraw/zinc/15/45/85/569154585.db2.gz WGDMWVXFMDEBJD-UHFFFAOYSA-N 0 0 440.378 3.287 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cnn(C)c1C)C[C@H](C)CC2 ZINC000013297108 569154918 /nfs/dbraw/zinc/15/49/18/569154918.db2.gz RIFBWZFBEHUGRS-DGCLKSJQSA-N 0 0 433.530 3.276 50 0 IGAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000014109023 569157819 /nfs/dbraw/zinc/15/78/19/569157819.db2.gz YNBFGEVUIPQSAM-UHFFFAOYSA-N 0 0 429.258 3.078 50 0 IGAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)Nc4cccs4)nn32)cc1OC ZINC000013707125 569156781 /nfs/dbraw/zinc/15/67/81/569156781.db2.gz NSESNEQTVSDSNY-UHFFFAOYSA-N 0 0 440.485 3.071 50 0 IGAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000013793264 569157036 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CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N32)cc1 ZINC000002102388 569179795 /nfs/dbraw/zinc/17/97/95/569179795.db2.gz QZPXEYNCARXQTG-RCZVLFRGSA-N 0 0 431.536 3.359 50 0 IGAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(=O)OC)cc2)C1=O ZINC000002125511 569184056 /nfs/dbraw/zinc/18/40/56/569184056.db2.gz GNESTVCFFQFVHB-SJODRWRQSA-N 0 0 445.519 3.438 50 0 IGAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148298 569187077 /nfs/dbraw/zinc/18/70/77/569187077.db2.gz PAFFNZPKDIRDLN-IBGZPJMESA-N 0 0 429.494 3.326 50 0 IGAARN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CC(Oc4nccs4)C3)cc2)c1 ZINC000208031332 569187172 /nfs/dbraw/zinc/18/71/72/569187172.db2.gz BYHXKPUAKSXOHC-UHFFFAOYSA-N 0 0 429.523 3.156 50 0 IGAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000027248005 569187181 /nfs/dbraw/zinc/18/71/81/569187181.db2.gz VVULOUQYNXOLDM-MRXNPFEDSA-N 0 0 433.430 3.143 50 0 IGAARN Cc1ccc(N2CCN(Cc3nc(C(=O)NCC[NH+]4CCCCC4)cs3)CC2)cc1C 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COc1cccc(-n2c3ncn(Cc4ccc(F)c(F)c4)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000037560193 569201076 /nfs/dbraw/zinc/20/10/76/569201076.db2.gz SHHXYIVJYWYROL-UHFFFAOYSA-N 0 0 438.434 3.094 50 0 IGAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252666105 569209597 /nfs/dbraw/zinc/20/95/97/569209597.db2.gz ANENLLUJFMXJCE-IBGZPJMESA-N 0 0 442.899 3.201 50 0 IGAARN CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252674807 569210246 /nfs/dbraw/zinc/21/02/46/569210246.db2.gz SPJNGIVXGIAFSN-MQSCRBSSSA-N 0 0 442.581 3.441 50 0 IGAARN CCOc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1O ZINC000002242109 569213639 /nfs/dbraw/zinc/21/36/39/569213639.db2.gz FCNKOOXQBIIAHB-IBGZPJMESA-N 0 0 429.856 3.397 50 0 IGAARN CC(=O)Oc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000002265185 569216134 /nfs/dbraw/zinc/21/61/34/569216134.db2.gz KWIAYKRZQLFLCV-YBEGLDIGSA-N 0 0 442.294 3.054 50 0 IGAARN COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1ccc(N(C)CCO)cc1 ZINC000011559431 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CCOc1ccc(NC2=N[C@@H](c3cc(OC)ccc3OC)n3c(=O)cc(C)nc3N2)cc1 ZINC000009410940 569295936 /nfs/dbraw/zinc/29/59/36/569295936.db2.gz DLWXCZHMPZYUCB-OAQYLSRUSA-N 0 0 435.484 3.408 50 0 IGAARN O=c1c(Br)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1 ZINC000027755217 569296722 /nfs/dbraw/zinc/29/67/22/569296722.db2.gz UQEWOAZJRKJBKH-UHFFFAOYSA-N 0 0 429.293 3.461 50 0 IGAARN CCOC(=O)C1=C(C)N(Cc2ccco2)C(=O)[C@]1(NC(=O)c1ccccc1)C(F)(F)F ZINC000002397547 569298595 /nfs/dbraw/zinc/29/85/95/569298595.db2.gz CVXBRZXMFBMFCM-FQEVSTJZSA-N 0 0 436.386 3.190 50 0 IGAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccn3)cs2)c1 ZINC000013010312 569306752 /nfs/dbraw/zinc/30/67/52/569306752.db2.gz ZFJARWKJNALDDX-UHFFFAOYSA-N 0 0 428.539 3.136 50 0 IGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013040435 569307996 /nfs/dbraw/zinc/30/79/96/569307996.db2.gz ORNGBPGVPNFFRA-UHFFFAOYSA-N 0 0 438.571 3.451 50 0 IGAARN COc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000013040956 569308168 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O=S(=O)(NCc1nnc2ccccn21)c1c(Cl)cc(Br)cc1Cl ZINC000078705912 569318307 /nfs/dbraw/zinc/31/83/07/569318307.db2.gz CXFMSXHSCTXZMF-UHFFFAOYSA-N 0 0 436.118 3.277 50 0 IGAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)no1 ZINC000078968441 569320759 /nfs/dbraw/zinc/32/07/59/569320759.db2.gz TTYUVXBTLZYKMM-OJKRAFQWSA-N 0 0 435.449 3.309 50 0 IGAARN COC(=O)C[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000078976201 569321303 /nfs/dbraw/zinc/32/13/03/569321303.db2.gz ZTHNQQAEBSPCJR-QHCPKHFHSA-N 0 0 436.552 3.148 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CC[S@@](=O)C3)c2)cc1C ZINC000078994527 569321577 /nfs/dbraw/zinc/32/15/77/569321577.db2.gz MPEHSCNDQHVXIJ-QZXCRCNTSA-N 0 0 440.974 3.008 50 0 IGAARN CCC[C@@H](CCO)CNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000078994727 569321648 /nfs/dbraw/zinc/32/16/48/569321648.db2.gz UTGJDJNVCLBKIW-FQEVSTJZSA-N 0 0 438.634 3.236 50 0 IGAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CC(OCCCOc3ccccc3)C2)cc1 ZINC000078995373 569321736 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569367498 /nfs/dbraw/zinc/36/74/98/569367498.db2.gz ZKHDXGKPRWHBAW-WVBUVRCRSA-N 0 0 428.554 3.197 50 0 IGAARN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)CC1 ZINC000095452591 569368017 /nfs/dbraw/zinc/36/80/17/569368017.db2.gz IESYTJCLYUYTLI-UHFFFAOYSA-N 0 0 435.590 3.452 50 0 IGAARN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000095461209 569369734 /nfs/dbraw/zinc/36/97/34/569369734.db2.gz FUZQLOQSBBLYHS-SWLSCSKDSA-N 0 0 425.254 3.234 50 0 IGAARN O=C(Cc1ccccc1Br)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000095471777 569371996 /nfs/dbraw/zinc/37/19/96/569371996.db2.gz PQQSQUFNYWONGG-UHFFFAOYSA-N 0 0 435.293 3.023 50 0 IGAARN Cc1nn(CC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c(C)c1Br ZINC000095473513 569372444 /nfs/dbraw/zinc/37/24/44/569372444.db2.gz SZXHBKMJDBBDPN-OAHLLOKOSA-N 0 0 446.305 3.107 50 0 IGAARN COC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1NC(=O)Cn1c2ccccc2oc1=O ZINC000095481762 569374162 /nfs/dbraw/zinc/37/41/62/569374162.db2.gz PPKYNPSYCVTBGW-UHFFFAOYSA-N 0 0 446.481 3.345 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0 IGAARN COc1ccccc1C(=O)N1CCN(c2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)CC1 ZINC000096358609 569397495 /nfs/dbraw/zinc/39/74/95/569397495.db2.gz CFKGHEYMSNPHGY-UHFFFAOYSA-N 0 0 432.524 3.327 50 0 IGAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 ZINC000096358532 569397540 /nfs/dbraw/zinc/39/75/40/569397540.db2.gz SSHRYMZDCOWLIC-UHFFFAOYSA-N 0 0 427.860 3.266 50 0 IGAARN COc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)c1 ZINC000096358615 569397560 /nfs/dbraw/zinc/39/75/60/569397560.db2.gz PFZISYJHGBRAIU-UHFFFAOYSA-N 0 0 446.551 3.256 50 0 IGAARN CC(=O)NCc1csc([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)n1 ZINC000096372835 569397921 /nfs/dbraw/zinc/39/79/21/569397921.db2.gz QJXQMPSTCQXRQX-ZDUSSCGKSA-N 0 0 445.969 3.281 50 0 IGAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc2ccccc2n1 ZINC000096386086 569398378 /nfs/dbraw/zinc/39/83/78/569398378.db2.gz NEDXOUSFSAOEOF-UHFFFAOYSA-N 0 0 441.466 3.364 50 0 IGAARN Cc1cccc(Cn2c3cccnc3n(CCNC(=O)C3(c4ccccc4)CC3)c2=O)c1 ZINC000096386139 569398454 /nfs/dbraw/zinc/39/84/54/569398454.db2.gz HWXTTXSOMHRRSO-UHFFFAOYSA-N 0 0 426.520 3.403 50 0 IGAARN COc1cc(-c2c(C)[nH]nc2NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000096398935 569399783 /nfs/dbraw/zinc/39/97/83/569399783.db2.gz CPQJAUNNVIXYII-SFHVURJKSA-N 0 0 425.441 3.189 50 0 IGAARN O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000096401208 569400467 /nfs/dbraw/zinc/40/04/67/569400467.db2.gz VBXTYJCSVKXPLK-GWQNQTGSSA-N 0 0 446.425 3.229 50 0 IGAARN O=C1c2ccccc2[C@@H](N2CCCC2)N1CCN1C(=O)c2ccccc2[C@H]1N1CCCC1 ZINC000334163416 569402192 /nfs/dbraw/zinc/40/21/92/569402192.db2.gz RGSFWTOSLCMGQX-ZEQRLZLVSA-N 0 0 430.552 3.487 50 0 IGAARN CCOC(=O)[C@H](C)N(CCCOC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000096791860 569402509 /nfs/dbraw/zinc/40/25/09/569402509.db2.gz PKJNKGBJAMRPPF-NRFANRHFSA-N 0 0 444.572 3.449 50 0 IGAARN C/C=C\c1ccc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(OC)c1 ZINC000096941343 569402677 /nfs/dbraw/zinc/40/26/77/569402677.db2.gz FNGJGZLBRZWQLV-ARJAWSKDSA-N 0 0 439.512 3.017 50 0 IGAARN COc1ccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408625 569404750 /nfs/dbraw/zinc/40/47/50/569404750.db2.gz KRNPQIKNBDLUNV-RBUKOAKNSA-N 0 0 438.977 3.053 50 0 IGAARN O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000027972700 569404984 /nfs/dbraw/zinc/40/49/84/569404984.db2.gz QLOJMOVUXJSCKL-UHFFFAOYSA-N 0 0 449.294 3.418 50 0 IGAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000028041094 569406484 /nfs/dbraw/zinc/40/64/84/569406484.db2.gz OSNVXHACPPMSPM-UHFFFAOYSA-N 0 0 433.473 3.462 50 0 IGAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000028059036 569407161 /nfs/dbraw/zinc/40/71/61/569407161.db2.gz VWKNRYMSFYKSAG-UHFFFAOYSA-N 0 0 442.628 3.309 50 0 IGAARN O=C(c1ccc(O[C@H]2CCSC2)nc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225715851 569407449 /nfs/dbraw/zinc/40/74/49/569407449.db2.gz RMIFXAAMZONKOE-INIZCTEOSA-N 0 0 438.475 3.342 50 0 IGAARN O=C(Cc1ccccc1Br)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000225736871 569407796 /nfs/dbraw/zinc/40/77/96/569407796.db2.gz XSQWYGAGMXIADR-UHFFFAOYSA-N 0 0 429.362 3.446 50 0 IGAARN Cc1ccc(N2C[C@@H](C(=O)NC3CCN(c4nc(C)nc5c4CCCC5)CC3)CC2=O)cc1 ZINC000225738203 569407830 /nfs/dbraw/zinc/40/78/30/569407830.db2.gz SZPUNVYBSKBWJX-IBGZPJMESA-N 0 0 447.583 3.110 50 0 IGAARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2cccc(N)c2)cc2c1OCO2 ZINC000215677962 569411370 /nfs/dbraw/zinc/41/13/70/569411370.db2.gz KCUMDTVCZFCKCV-JAIQZWGSSA-N 0 0 445.475 3.093 50 0 IGAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccncc1 ZINC000002655352 569415411 /nfs/dbraw/zinc/41/54/11/569415411.db2.gz FGZTTXVWDLELJR-UHFFFAOYSA-N 0 0 444.520 3.467 50 0 IGAARN COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 ZINC000002706264 569417560 /nfs/dbraw/zinc/41/75/60/569417560.db2.gz PWDBZRYYSSFJKT-UHFFFAOYSA-N 0 0 429.571 3.485 50 0 IGAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000028727603 569418811 /nfs/dbraw/zinc/41/88/11/569418811.db2.gz HEHGCOFWZKBJSI-GFCCVEGCSA-N 0 0 441.347 3.061 50 0 IGAARN CCOc1cc([C@@H]2NC(=O)N[C@](O)(c3ccc(C)cc3)[C@H]2C(=O)C(F)(F)F)ccc1O ZINC000226537867 569424041 /nfs/dbraw/zinc/42/40/41/569424041.db2.gz WXRQUSCOPVZJGL-UWVAXJGDSA-N 0 0 438.402 3.046 50 0 IGAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000002921025 569425405 /nfs/dbraw/zinc/42/54/05/569425405.db2.gz RSJUWFZRLFETFU-CYBMUJFWSA-N 0 0 442.516 3.416 50 0 IGAARN Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000002927051 569425763 /nfs/dbraw/zinc/42/57/63/569425763.db2.gz QHADVHONKPLSST-UHFFFAOYSA-N 0 0 447.362 3.013 50 0 IGAARN CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000029195095 569428616 /nfs/dbraw/zinc/42/86/16/569428616.db2.gz SEJKQPVJKCYRLL-NRFANRHFSA-N 0 0 445.585 3.420 50 0 IGAARN CCOc1cc(NS(=O)(=O)c2ccc(OCC(=O)NC)cc2)cc(C(F)(F)F)c1 ZINC000226744120 569429109 /nfs/dbraw/zinc/42/91/09/569429109.db2.gz QQVVCAPXERLZMC-UHFFFAOYSA-N 0 0 432.420 3.030 50 0 IGAARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000057063797 569429420 /nfs/dbraw/zinc/42/94/20/569429420.db2.gz GOXZHDABOSYGFQ-MANSERQUSA-N 0 0 439.309 3.284 50 0 IGAARN COc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000057358808 569431435 /nfs/dbraw/zinc/43/14/35/569431435.db2.gz RBRHSROKTOPTOY-UHFFFAOYSA-N 0 0 436.556 3.128 50 0 IGAARN CCOC(=O)C1C(CN2CCN(c3cccc(C)c3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414368 569433891 /nfs/dbraw/zinc/43/38/91/569433891.db2.gz KQWZXBAXEWAOAP-XMMPIXPASA-N 0 0 448.567 3.297 50 0 IGAARN CC(C)CCn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O ZINC000057426664 569434626 /nfs/dbraw/zinc/43/46/26/569434626.db2.gz QBVUNTDPYWZZHD-KRWDZBQOSA-N 0 0 427.570 3.408 50 0 IGAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)c1 ZINC000057426836 569434708 /nfs/dbraw/zinc/43/47/08/569434708.db2.gz GCPBLROCAVKKFN-UHFFFAOYSA-N 0 0 439.468 3.059 50 0 IGAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)c1ccccc1 ZINC000057429042 569435012 /nfs/dbraw/zinc/43/50/12/569435012.db2.gz BBINJEZIBTZXNH-UHFFFAOYSA-N 0 0 427.432 3.155 50 0 IGAARN Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cncc(Br)c3)CC2)n1 ZINC000029833534 569435094 /nfs/dbraw/zinc/43/50/94/569435094.db2.gz YKVNHSCOAMMLKH-UHFFFAOYSA-N 0 0 442.317 3.161 50 0 IGAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1OC ZINC000003008855 569435271 /nfs/dbraw/zinc/43/52/71/569435271.db2.gz BSPQFMWTRHPNLE-UHFFFAOYSA-N 0 0 447.900 3.224 50 0 IGAARN O=C(Cn1c2ccccc2c(=O)n(CCc2cccs2)c1=O)N[C@H]1CCc2ccccc21 ZINC000057473353 569435745 /nfs/dbraw/zinc/43/57/45/569435745.db2.gz DBONZUCFEFFZRR-NRFANRHFSA-N 0 0 445.544 3.271 50 0 IGAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003023485 569436102 /nfs/dbraw/zinc/43/61/02/569436102.db2.gz SWCIJJLEORQNHQ-UHFFFAOYSA-N 0 0 433.288 3.406 50 0 IGAARN Cc1occc1-c1nnc(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)n1C ZINC000029872369 569436387 /nfs/dbraw/zinc/43/63/87/569436387.db2.gz FZTQUTUNLCQYAS-UHFFFAOYSA-N 0 0 443.510 3.495 50 0 IGAARN COc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc(OC)c1 ZINC000057486496 569436472 /nfs/dbraw/zinc/43/64/72/569436472.db2.gz RASMGBFNDWDCBM-UHFFFAOYSA-N 0 0 447.495 3.362 50 0 IGAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)cc1 ZINC000057490435 569437122 /nfs/dbraw/zinc/43/71/22/569437122.db2.gz DHKRZVUAVQVCLJ-UHFFFAOYSA-N 0 0 425.441 3.000 50 0 IGAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1 ZINC000057490281 569437163 /nfs/dbraw/zinc/43/71/63/569437163.db2.gz CYUXHTWATBMUNI-IBGZPJMESA-N 0 0 431.517 3.326 50 0 IGAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)cc1F ZINC000057490610 569437201 /nfs/dbraw/zinc/43/72/01/569437201.db2.gz CXDOIQYHXDIQAA-UHFFFAOYSA-N 0 0 443.431 3.139 50 0 IGAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000057490778 569437257 /nfs/dbraw/zinc/43/72/57/569437257.db2.gz ZIXYIKDXACSKIP-UHFFFAOYSA-N 0 0 443.431 3.139 50 0 IGAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000057490929 569437272 /nfs/dbraw/zinc/43/72/72/569437272.db2.gz RNNSNKKLJMSGQQ-UHFFFAOYSA-N 0 0 443.431 3.139 50 0 IGAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1C ZINC000057491233 569437283 /nfs/dbraw/zinc/43/72/83/569437283.db2.gz BZWSGJSWLLKQES-UHFFFAOYSA-N 0 0 449.488 3.198 50 0 IGAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1C ZINC000057491198 569437298 /nfs/dbraw/zinc/43/72/98/569437298.db2.gz DPUGNWXATRGAGR-UHFFFAOYSA-N 0 0 437.496 3.286 50 0 IGAARN CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CC1 ZINC000057492521 569437447 /nfs/dbraw/zinc/43/74/47/569437447.db2.gz QQZKAKBPJZUXEX-UHFFFAOYSA-N 0 0 427.961 3.454 50 0 IGAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000057492459 569437454 /nfs/dbraw/zinc/43/74/54/569437454.db2.gz DPQZTBKHLJRPQB-UHFFFAOYSA-N 0 0 435.505 3.478 50 0 IGAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O ZINC000057493659 569437570 /nfs/dbraw/zinc/43/75/70/569437570.db2.gz IBUWDOFFAGFECM-GOSISDBHSA-N 0 0 449.507 3.465 50 0 IGAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)c1 ZINC000057493261 569437583 /nfs/dbraw/zinc/43/75/83/569437583.db2.gz RVIDRHNALKLLIJ-UHFFFAOYSA-N 0 0 439.468 3.309 50 0 IGAARN Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(N2CCc3ccccc3C2)n1 ZINC000057506569 569438234 /nfs/dbraw/zinc/43/82/34/569438234.db2.gz LGNNWDNILCYYFT-IBGZPJMESA-N 0 0 430.552 3.252 50 0 IGAARN COc1cc(NC(=O)Cn2c(=O)cc(C)nc2Nc2ccc(F)c(C)c2)cc(OC)c1 ZINC000057507735 569438315 /nfs/dbraw/zinc/43/83/15/569438315.db2.gz STFQAACUGCXZQH-UHFFFAOYSA-N 0 0 426.448 3.399 50 0 IGAARN CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(Br)c3)c3ccccc3n12 ZINC000057522792 569438981 /nfs/dbraw/zinc/43/89/81/569438981.db2.gz SBWUGEOPVAIIHS-UHFFFAOYSA-N 0 0 440.301 3.398 50 0 IGAARN CCc1nnc2c(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc3n12 ZINC000057522855 569439063 /nfs/dbraw/zinc/43/90/63/569439063.db2.gz RTLREOUGNIZFGF-UHFFFAOYSA-N 0 0 426.274 3.008 50 0 IGAARN CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000030029110 569440444 /nfs/dbraw/zinc/44/04/44/569440444.db2.gz YEZWKKJWNOMNFI-NRFANRHFSA-N 0 0 445.560 3.129 50 0 IGAARN CC(C)(C)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000057738548 569441165 /nfs/dbraw/zinc/44/11/65/569441165.db2.gz SZQCFMWDXRZKQR-LEWJYISDSA-N 0 0 430.545 3.138 50 0 IGAARN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003189853 569441446 /nfs/dbraw/zinc/44/14/46/569441446.db2.gz AZCRAQNJDKZJQO-UHFFFAOYSA-N 0 0 432.542 3.068 50 0 IGAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000057862038 569442208 /nfs/dbraw/zinc/44/22/08/569442208.db2.gz NJKUYPBIPICWSR-KRWDZBQOSA-N 0 0 436.491 3.188 50 0 IGAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)ccc12 ZINC000003268397 569443481 /nfs/dbraw/zinc/44/34/81/569443481.db2.gz USKFGSICQPJLSP-UHFFFAOYSA-N 0 0 433.363 3.264 50 0 IGAARN CC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000058009389 569444758 /nfs/dbraw/zinc/44/47/58/569444758.db2.gz OCKNRFOFFBICMG-UHFFFAOYSA-N 0 0 431.558 3.451 50 0 IGAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003307536 569445280 /nfs/dbraw/zinc/44/52/80/569445280.db2.gz WOFDQBDWAZVYFD-UHFFFAOYSA-N 0 0 433.464 3.165 50 0 IGAARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003315521 569445725 /nfs/dbraw/zinc/44/57/25/569445725.db2.gz DZFBTEUIWIKMDN-UHFFFAOYSA-N 0 0 436.512 3.126 50 0 IGAARN COCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000003317317 569445731 /nfs/dbraw/zinc/44/57/31/569445731.db2.gz LREFLAXEROKDEO-CQSZACIVSA-N 0 0 443.594 3.427 50 0 IGAARN CN(C)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1 ZINC000058080505 569446838 /nfs/dbraw/zinc/44/68/38/569446838.db2.gz BSINMMBDAKSRSW-NTEUORMPSA-N 0 0 428.558 3.364 50 0 IGAARN CN(CCOc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003352979 569447483 /nfs/dbraw/zinc/44/74/83/569447483.db2.gz ONGDGQADGIGSPD-UHFFFAOYSA-N 0 0 436.961 3.278 50 0 IGAARN Cc1ccc(OCc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n[nH]2)cc1 ZINC000003365236 569448074 /nfs/dbraw/zinc/44/80/74/569448074.db2.gz BOFJFFBRUHRBFN-UHFFFAOYSA-N 0 0 443.554 3.072 50 0 IGAARN Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Br ZINC000058128769 569448153 /nfs/dbraw/zinc/44/81/53/569448153.db2.gz PHMQIZKMYYCONB-UHFFFAOYSA-N 0 0 426.336 3.330 50 0 IGAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cccc(I)c1 ZINC000003376219 569448636 /nfs/dbraw/zinc/44/86/36/569448636.db2.gz VYUXSMTVWBEALG-UHFFFAOYSA-N 0 0 449.200 3.193 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 ZINC000003385196 569448987 /nfs/dbraw/zinc/44/89/87/569448987.db2.gz SHEXSXQHCOPJQI-UHFFFAOYSA-N 0 0 449.583 3.263 50 0 IGAARN O=C(COC(=O)c1ccccc1I)NCCc1ccc(Cl)cc1 ZINC000003391231 569449259 /nfs/dbraw/zinc/44/92/59/569449259.db2.gz JVIARPSTHMHEQN-UHFFFAOYSA-N 0 0 443.668 3.460 50 0 IGAARN CC(C)n1nc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O ZINC000003414299 569450160 /nfs/dbraw/zinc/45/01/60/569450160.db2.gz SBCVRWRXSIEVNF-UHFFFAOYSA-N 0 0 433.464 3.211 50 0 IGAARN 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COc1ccc(-c2ccc(N3CCN(C(=O)[C@H](C)Oc4cccc(F)c4)CC3)nn2)cc1 ZINC000013664415 536897092 /nfs/dbraw/zinc/89/70/92/536897092.db2.gz NGSCXGBFXQXWFT-KRWDZBQOSA-N 0 0 436.487 3.407 50 0 IGAARN COc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1 ZINC000004757415 537054561 /nfs/dbraw/zinc/05/45/61/537054561.db2.gz CKPBZVKLBNABPL-UHFFFAOYSA-N 0 0 437.569 3.265 50 0 IGAARN Cn1c2nc(SCc3ccc(Cl)cc3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000623510 555511427 /nfs/dbraw/zinc/51/14/27/555511427.db2.gz WANSWYMFMBQDHX-UHFFFAOYSA-N 0 0 426.929 3.428 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000000627979 555513446 /nfs/dbraw/zinc/51/34/46/555513446.db2.gz VNEMGMWMFOFQMF-XBNGYDHASA-N 0 0 430.938 3.123 50 0 IGAARN COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000634857 555516748 /nfs/dbraw/zinc/51/67/48/555516748.db2.gz ZDEQWGQSDCMXEC-UHFFFAOYSA-N 0 0 442.512 3.342 50 0 IGAARN COc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)cc1OC ZINC000000656004 555524803 /nfs/dbraw/zinc/52/48/03/555524803.db2.gz LFTQADBBWFWJDL-HOTGVXAUSA-N 0 0 442.512 3.096 50 0 IGAARN CCOC(=O)CN1c2ccccc2CC[C@@H](Sc2n[nH]c(-c3ccccc3O)n2)C1=O ZINC000000684933 555539813 /nfs/dbraw/zinc/53/98/13/555539813.db2.gz CAIDZHSXEJEGPA-GOSISDBHSA-N 0 0 438.509 3.181 50 0 IGAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000706356 555544663 /nfs/dbraw/zinc/54/46/63/555544663.db2.gz VSPNKNNRXKIFLM-SFHVURJKSA-N 0 0 432.860 3.434 50 0 IGAARN CCCS(=O)(=O)c1c2cnccn2c(C(=O)c2ccc(C)cc2)c1S(=O)(=O)CCC ZINC000000716244 555548664 /nfs/dbraw/zinc/54/86/64/555548664.db2.gz SDMBWFDEPMYMGI-UHFFFAOYSA-N 0 0 448.566 3.241 50 0 IGAARN COc1ccc(CCNC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc1OC ZINC000000814965 555561326 /nfs/dbraw/zinc/56/13/26/555561326.db2.gz TZSJQUYGTIRXOF-IBGZPJMESA-N 0 0 433.302 3.318 50 0 IGAARN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000000817107 555563172 /nfs/dbraw/zinc/56/31/72/555563172.db2.gz WJDIUYZKIZGPKC-GFCCVEGCSA-N 0 0 427.320 3.251 50 0 IGAARN O=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000827243 555565415 /nfs/dbraw/zinc/56/54/15/555565415.db2.gz NJKSZQUABMKTAV-UHFFFAOYSA-N 0 0 430.349 3.333 50 0 IGAARN COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 ZINC000000827662 555565766 /nfs/dbraw/zinc/56/57/66/555565766.db2.gz HTBPLGUUOPVMIH-UHFFFAOYSA-N 0 0 432.420 3.127 50 0 IGAARN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000840723 555568119 /nfs/dbraw/zinc/56/81/19/555568119.db2.gz YRDRPQUCFGHTLH-UHFFFAOYSA-N 0 0 428.304 3.216 50 0 IGAARN O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCc1ccccc1 ZINC000009439240 555570523 /nfs/dbraw/zinc/57/05/23/555570523.db2.gz NHYWXOCABDDUFS-UHFFFAOYSA-N 0 0 432.476 3.111 50 0 IGAARN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000000869686 555575018 /nfs/dbraw/zinc/57/50/18/555575018.db2.gz YSUGTINQUGPNIO-UHFFFAOYSA-N 0 0 428.304 3.134 50 0 IGAARN COc1ccc(C)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000880263 555577084 /nfs/dbraw/zinc/57/70/84/555577084.db2.gz AWYZZYRVOQMORY-UHFFFAOYSA-N 0 0 439.537 3.219 50 0 IGAARN COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000882602 555578145 /nfs/dbraw/zinc/57/81/45/555578145.db2.gz DXPDCAWUOJCNIA-UHFFFAOYSA-N 0 0 446.569 3.466 50 0 IGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000000890136 555579477 /nfs/dbraw/zinc/57/94/77/555579477.db2.gz LSTHYABUMHFFIH-HSZRJFAPSA-N 0 0 436.533 3.127 50 0 biogenic,in-vitro IGAARN COc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000000893839 555580045 /nfs/dbraw/zinc/58/00/45/555580045.db2.gz MQTVUKPEMKBZFB-SFHVURJKSA-N 0 0 430.570 3.331 50 0 IGAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1OC ZINC000000919828 555584369 /nfs/dbraw/zinc/58/43/69/555584369.db2.gz PYAAODFFUMGGDG-UHFFFAOYSA-N 0 0 443.447 3.131 50 0 IGAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000000982274 555593711 /nfs/dbraw/zinc/59/37/11/555593711.db2.gz WQZMKXMSDSRIKD-HLPMDPMVSA-N 0 0 430.276 3.064 50 0 IGAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000000982807 555593867 /nfs/dbraw/zinc/59/38/67/555593867.db2.gz NOYUWMYJWIEIQG-CQSZACIVSA-N 0 0 437.949 3.273 50 0 IGAARN COC(=O)c1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 ZINC000001023003 555604084 /nfs/dbraw/zinc/60/40/84/555604084.db2.gz MNNKCAGWGOTUKW-UHFFFAOYSA-N 0 0 426.384 3.442 50 0 IGAARN Cc1cc(C)n(C2=NCCN2S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000001048957 555612075 /nfs/dbraw/zinc/61/20/75/555612075.db2.gz VYPPVOVFFZDOLO-UHFFFAOYSA-N 0 0 440.369 3.446 50 0 IGAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 ZINC000001063822 555617263 /nfs/dbraw/zinc/61/72/63/555617263.db2.gz RFQICYUJQNOTJT-KRWDZBQOSA-N 0 0 429.542 3.024 50 0 IGAARN O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(I)cc1 ZINC000001064516 555617634 /nfs/dbraw/zinc/61/76/34/555617634.db2.gz OEZPDHUVOTYTFD-UHFFFAOYSA-N 0 0 426.239 3.400 50 0 IGAARN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1 ZINC000001070778 555621183 /nfs/dbraw/zinc/62/11/83/555621183.db2.gz MCQJCSNFOKHYLJ-UHFFFAOYSA-N 0 0 429.454 3.271 50 0 IGAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccs1 ZINC000001087776 555626952 /nfs/dbraw/zinc/62/69/52/555626952.db2.gz ABELRIIRVNKAGM-UHFFFAOYSA-N 0 0 429.494 3.479 50 0 IGAARN Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccccc3)c(=O)c2c1C ZINC000001099205 555628426 /nfs/dbraw/zinc/62/84/26/555628426.db2.gz MPRBKGYWBSPZGA-INIZCTEOSA-N 0 0 429.567 3.451 50 0 IGAARN COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000001100082 555628744 /nfs/dbraw/zinc/62/87/44/555628744.db2.gz VZVBTLFELMDRKU-UHFFFAOYSA-N 0 0 441.347 3.479 50 0 IGAARN COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccccc1OC ZINC000001120281 555637260 /nfs/dbraw/zinc/63/72/60/555637260.db2.gz KHLRMVOWXMLNOY-UHFFFAOYSA-N 0 0 437.492 3.460 50 0 IGAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000001133207 555645684 /nfs/dbraw/zinc/64/56/84/555645684.db2.gz FIMXJKCGLWFHJA-UHFFFAOYSA-N 0 0 430.551 3.317 50 0 IGAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 ZINC000001133913 555646355 /nfs/dbraw/zinc/64/63/55/555646355.db2.gz SEYZOJMTMGGUQW-UHFFFAOYSA-N 0 0 427.267 3.212 50 0 IGAARN CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1C1(C(=O)OC)CCCC1 ZINC000001136960 555647450 /nfs/dbraw/zinc/64/74/50/555647450.db2.gz HAUHDNOLRMMLSN-HUUCEWRRSA-N 0 0 425.275 3.364 50 0 IGAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000001141483 555650327 /nfs/dbraw/zinc/65/03/27/555650327.db2.gz MZWNPZJPYLIETO-UHFFFAOYSA-N 0 0 427.320 3.153 50 0 IGAARN CC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000001146051 555653529 /nfs/dbraw/zinc/65/35/29/555653529.db2.gz CTPABVMQKJIZFR-UHFFFAOYSA-N 0 0 425.304 3.056 50 0 IGAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 ZINC000001153691 555657875 /nfs/dbraw/zinc/65/78/75/555657875.db2.gz SFUACOHPUAVVFQ-UHFFFAOYSA-N 0 0 442.468 3.431 50 0 IGAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000001155199 555658461 /nfs/dbraw/zinc/65/84/61/555658461.db2.gz JWEONKCMJOWYBT-UHFFFAOYSA-N 0 0 447.919 3.381 50 0 IGAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1)C1CC1 ZINC000001158585 555660489 /nfs/dbraw/zinc/66/04/89/555660489.db2.gz CAURYQYCNMQIRW-UHFFFAOYSA-N 0 0 442.278 3.441 50 0 IGAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1 ZINC000001162580 555662778 /nfs/dbraw/zinc/66/27/78/555662778.db2.gz FQVXNVKVRLHVDQ-LBPRGKRZSA-N 0 0 436.249 3.291 50 0 IGAARN CCc1nnc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC000001165058 555663566 /nfs/dbraw/zinc/66/35/66/555663566.db2.gz XZDNNPJRVUSLKB-UHFFFAOYSA-N 0 0 447.380 3.146 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000001217126 555684542 /nfs/dbraw/zinc/68/45/42/555684542.db2.gz CPLMOOWQSCPCSR-PZHBDVNGSA-N 0 0 448.544 3.115 50 0 IGAARN CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(OC(C)C)c(OC)c3)nc(N)c21 ZINC000010540767 555702152 /nfs/dbraw/zinc/70/21/52/555702152.db2.gz ILBQIBJTGDGWSG-UHFFFAOYSA-N 0 0 443.456 3.443 50 0 IGAARN CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000001787047 555715292 /nfs/dbraw/zinc/71/52/92/555715292.db2.gz TZKGOHHWPJOSJK-ZDUSSCGKSA-N 0 0 426.753 3.372 50 0 IGAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)cc1 ZINC000002063459 555732833 /nfs/dbraw/zinc/73/28/33/555732833.db2.gz LIJPWBVZGMBJMC-NRFANRHFSA-N 0 0 425.529 3.474 50 0 IGAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000002140550 555748148 /nfs/dbraw/zinc/74/81/48/555748148.db2.gz KBNJGKOSDRSGJX-UHFFFAOYSA-N 0 0 430.526 3.056 50 0 IGAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 ZINC000002305204 555767195 /nfs/dbraw/zinc/76/71/95/555767195.db2.gz VKSPXHQQKHSMQO-XSFVSMFZSA-N 0 0 435.505 3.470 50 0 IGAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cc1OC ZINC000002335744 555769456 /nfs/dbraw/zinc/76/94/56/555769456.db2.gz JCXPDJUFPDANSZ-UHFFFAOYSA-N 0 0 433.921 3.369 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002351017 555771060 /nfs/dbraw/zinc/77/10/60/555771060.db2.gz MEYUDJVAWIUSNM-XGHXRCDJSA-N 0 0 442.899 3.201 50 0 IGAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000002452951 555782392 /nfs/dbraw/zinc/78/23/92/555782392.db2.gz HEZQTWFMHVVQJI-UHFFFAOYSA-N 0 0 430.493 3.159 50 0 IGAARN CC1(C)C[C@@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000002484403 555783954 /nfs/dbraw/zinc/78/39/54/555783954.db2.gz XEOOHATVIZIQPX-VQTJNVASSA-N 0 0 449.916 3.204 50 0 IGAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 ZINC000002533406 555786181 /nfs/dbraw/zinc/78/61/81/555786181.db2.gz JGXVNCFCVBSVGV-RGEXLXHISA-N 0 0 435.505 3.331 50 0 IGAARN CNc1nc(Cl)nc2c1ncn2CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C ZINC000002563945 555787913 /nfs/dbraw/zinc/78/79/13/555787913.db2.gz NASABYJQIYJDID-UHFFFAOYSA-N 0 0 439.944 3.316 50 0 in-vitro IGAARN O=C(C=Cc1ccccc1Cl)NC1=NN2C(=NC(=O)C[C@H]2c2ccc(Cl)cc2)N1 ZINC000002593352 555789496 /nfs/dbraw/zinc/78/94/96/555789496.db2.gz MQNNABHAKSJCMG-JCVNQNCUSA-N 0 0 428.279 3.327 50 0 IGAARN CCOc1ccc(CN2CCN(Cc3nc(C(=O)NC4CCCCC4)co3)CC2)cc1 ZINC000034678112 555796467 /nfs/dbraw/zinc/79/64/67/555796467.db2.gz FLTUPXBSDRLPRJ-UHFFFAOYSA-N 0 0 426.561 3.454 50 0 IGAARN COCCCNC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCCC2 ZINC000002668421 555796743 /nfs/dbraw/zinc/79/67/43/555796743.db2.gz HWEQNADHYXLEEI-UHFFFAOYSA-N 0 0 432.542 3.419 50 0 IGAARN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(O)n2)c1 ZINC000002692111 555799401 /nfs/dbraw/zinc/79/94/01/555799401.db2.gz FWDNTVXNSAZKOH-UHFFFAOYSA-N 0 0 447.563 3.468 50 0 IGAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1)Nc1ccccc1 ZINC000002728800 555803368 /nfs/dbraw/zinc/80/33/68/555803368.db2.gz ONVCLTIPZYVKFB-FQEVSTJZSA-N 0 0 444.516 3.363 50 0 IGAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034692703 555805083 /nfs/dbraw/zinc/80/50/83/555805083.db2.gz DSZIXSWLUGLVLO-UHFFFAOYSA-N 0 0 436.487 3.306 50 0 IGAARN O=c1c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2)c(=O)n1Cc1ccco1 ZINC000034693936 555808535 /nfs/dbraw/zinc/80/85/35/555808535.db2.gz HXGHKKLKHUWSPK-UHFFFAOYSA-N 0 0 434.402 3.317 50 0 IGAARN COC(=O)c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002825663 555830951 /nfs/dbraw/zinc/83/09/51/555830951.db2.gz KNJRZKBBXXEAPD-OAQYLSRUSA-N 0 0 443.459 3.460 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ncc(C)s1 ZINC000002826879 555831358 /nfs/dbraw/zinc/83/13/58/555831358.db2.gz WPQJKWDRWOBDCJ-UHFFFAOYSA-N 0 0 430.559 3.032 50 0 IGAARN CCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000002830235 555831677 /nfs/dbraw/zinc/83/16/77/555831677.db2.gz NTGBDCLAAMOZPB-UHFFFAOYSA-N 0 0 425.348 3.166 50 0 IGAARN CCOC(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1 ZINC000002848318 555838406 /nfs/dbraw/zinc/83/84/06/555838406.db2.gz RCKKDMOOKOAYHI-UHFFFAOYSA-N 0 0 427.339 3.426 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(N)c3)n2CC)cc1 ZINC000002849068 555838467 /nfs/dbraw/zinc/83/84/67/555838467.db2.gz JIHWORPDYIRUID-UHFFFAOYSA-N 0 0 425.514 3.455 50 0 IGAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000002857598 555842337 /nfs/dbraw/zinc/84/23/37/555842337.db2.gz GQROVWBWXSOFPD-UHFFFAOYSA-N 0 0 438.505 3.312 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 ZINC000002881875 555855973 /nfs/dbraw/zinc/85/59/73/555855973.db2.gz NSDQEMZJDVLEEO-UHFFFAOYSA-N 0 0 448.541 3.124 50 0 IGAARN CC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002962470 555867896 /nfs/dbraw/zinc/86/78/96/555867896.db2.gz AVQAIGIDNMSEAV-QGZVFWFLSA-N 0 0 434.558 3.431 50 0 IGAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(OC)c(OC)c2)CN(C(C)=O)C1 ZINC000034732270 555872136 /nfs/dbraw/zinc/87/21/36/555872136.db2.gz CFDRQPSYHMMQES-LEWJYISDSA-N 0 0 440.540 3.023 50 0 IGAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@H](C)C2)c1 ZINC000002982283 555872799 /nfs/dbraw/zinc/87/27/99/555872799.db2.gz VVFNYBXMVWVGLF-LJQANCHMSA-N 0 0 436.599 3.004 50 0 IGAARN CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1 ZINC000002991811 555875180 /nfs/dbraw/zinc/87/51/80/555875180.db2.gz NIVQIFPVCXLFGE-UHFFFAOYSA-N 0 0 425.493 3.472 50 0 IGAARN CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)=O ZINC000003084396 555884823 /nfs/dbraw/zinc/88/48/23/555884823.db2.gz XZCIAIQALWEHFQ-CXUHLZMHSA-N 0 0 441.436 3.381 50 0 IGAARN O=S(=O)(Cc1ccccc1)N1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000034904965 555919244 /nfs/dbraw/zinc/91/92/44/555919244.db2.gz GTEITEVOFXJKLL-UHFFFAOYSA-N 0 0 432.933 3.038 50 0 IGAARN O=C(Cc1ccc(F)cc1)NCCNC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905895 555920080 /nfs/dbraw/zinc/92/00/80/555920080.db2.gz UOYOBNRELWNTJA-UHFFFAOYSA-N 0 0 431.464 3.089 50 0 IGAARN CCOC(=O)CCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921310 555931812 /nfs/dbraw/zinc/93/18/12/555931812.db2.gz ZGYREDOEDVXOBB-UHFFFAOYSA-N 0 0 449.500 3.428 50 0 IGAARN Cc1cccc([C@@H]2[C@H](C(=O)NCCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924147 555932907 /nfs/dbraw/zinc/93/29/07/555932907.db2.gz BMDPJNIGDWVXSS-JWQCQUIFSA-N 0 0 447.579 3.277 50 0 IGAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000004611614 556004290 /nfs/dbraw/zinc/00/42/90/556004290.db2.gz MNGJXXOGLLZAJR-YYWHXJBOSA-N 0 0 426.513 3.228 50 0 IGAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 ZINC000004680657 556005947 /nfs/dbraw/zinc/00/59/47/556005947.db2.gz NETVLSVWPSKOQO-FQEVSTJZSA-N 0 0 425.554 3.474 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000004778692 556011427 /nfs/dbraw/zinc/01/14/27/556011427.db2.gz DMYBHIRIJDRNHH-HSZRJFAPSA-N 0 0 427.570 3.013 50 0 IGAARN CCN(CC)C(=O)c1sc(NC(=S)N[C@H](C)[C@H]2CCCO2)c(C(=O)OC)c1C ZINC000005060199 556030648 /nfs/dbraw/zinc/03/06/48/556030648.db2.gz CFLYHGGFLAMILV-CHWSQXEVSA-N 0 0 427.592 3.179 50 0 IGAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)no1 ZINC000010568037 556069644 /nfs/dbraw/zinc/06/96/44/556069644.db2.gz JMUQPHLWFPJMHN-MNOVXSKESA-N 0 0 443.884 3.406 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)cc1 ZINC000006498002 556091652 /nfs/dbraw/zinc/09/16/52/556091652.db2.gz IPHVZGJFKRSNCQ-UHFFFAOYSA-N 0 0 442.497 3.396 50 0 IGAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c(OC)c1OC ZINC000006924688 556110613 /nfs/dbraw/zinc/11/06/13/556110613.db2.gz FPQKBTKKGKQCNO-FOWTUZBSSA-N 0 0 434.514 3.151 50 0 IGAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCCc1ccccc1 ZINC000002719959 556126250 /nfs/dbraw/zinc/12/62/50/556126250.db2.gz ZUFHMOCWDWNQOT-UHFFFAOYSA-N 0 0 441.553 3.471 50 0 IGAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000002782910 556138366 /nfs/dbraw/zinc/13/83/66/556138366.db2.gz CZCFKDUPCITQRO-UHFFFAOYSA-N 0 0 438.307 3.065 50 0 IGAARN O=C(Nc1ccccc1OC(F)F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002802866 556142701 /nfs/dbraw/zinc/14/27/01/556142701.db2.gz BLYXNKKEABFEOV-ZDUSSCGKSA-N 0 0 428.432 3.467 50 0 IGAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 ZINC000008383843 556159671 /nfs/dbraw/zinc/15/96/71/556159671.db2.gz KDPAZDNZXOPAGZ-SFHVURJKSA-N 0 0 439.464 3.041 50 0 IGAARN CCCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Br ZINC000008397750 556164571 /nfs/dbraw/zinc/16/45/71/556164571.db2.gz SNRHKWYUEXEBOA-UHFFFAOYSA-N 0 0 428.304 3.445 50 0 IGAARN CN(C[C@@H](O)COc1ccc(OC[C@H](O)CN(C)c2ccccc2)cc1)c1ccccc1 ZINC000008398439 556164742 /nfs/dbraw/zinc/16/47/42/556164742.db2.gz KVPLOYFYOOGJGC-DNQXCXABSA-N 0 0 436.552 3.439 50 0 IGAARN O=S(=O)(/N=[S@@]1/CCC2(C1)OCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008648409 556196011 /nfs/dbraw/zinc/19/60/11/556196011.db2.gz KFIZVYZJZZBMDZ-SANMLTNESA-N 0 0 437.383 3.362 50 0 IGAARN O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1 ZINC000008666892 556197834 /nfs/dbraw/zinc/19/78/34/556197834.db2.gz OIIGUBIRPLLJPL-PXLXIMEGSA-N 0 0 432.451 3.456 50 0 aggregator IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000008748169 556210014 /nfs/dbraw/zinc/21/00/14/556210014.db2.gz YYEOWTIAYGGWBV-CQSZACIVSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)c1 ZINC000010606157 556211014 /nfs/dbraw/zinc/21/10/14/556211014.db2.gz VLFXTRSKEKQHHN-UHFFFAOYSA-N 0 0 438.553 3.481 50 0 IGAARN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCC2 ZINC000008846286 556227127 /nfs/dbraw/zinc/22/71/27/556227127.db2.gz PGYSIESHTQVFOB-SFHVURJKSA-N 0 0 435.505 3.340 50 0 IGAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OC)cc2OC)C1=O ZINC000008921823 556233446 /nfs/dbraw/zinc/23/34/46/556233446.db2.gz FAYYXDOUPCYAJC-HXUWFJFHSA-N 0 0 434.286 3.293 50 0 IGAARN COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)sc2c1 ZINC000009095545 556246482 /nfs/dbraw/zinc/24/64/82/556246482.db2.gz SWVARIZOVFLKLQ-LBPRGKRZSA-N 0 0 427.482 3.314 50 0 IGAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1C ZINC000009191121 556253525 /nfs/dbraw/zinc/25/35/25/556253525.db2.gz JSCDWMYBEWXZDE-GOSISDBHSA-N 0 0 441.553 3.080 50 0 IGAARN COc1cc(OC)c(NC(=O)Cn2ncc3c4cc(C)ccc4[nH]c3c2=O)cc1Cl ZINC000009225874 556260097 /nfs/dbraw/zinc/26/00/97/556260097.db2.gz OIPZZUSQMLNOBH-UHFFFAOYSA-N 0 0 426.860 3.496 50 0 IGAARN CN(C)c1ccc(-c2nnc3sc(CCCN4C(=O)c5ccccc5C4=O)nn32)cc1 ZINC000009252940 556267297 /nfs/dbraw/zinc/26/72/97/556267297.db2.gz OAKDYVXREZXDAM-UHFFFAOYSA-N 0 0 432.509 3.148 50 0 IGAARN COc1ccccc1[C@H]1c2c(oc3ccc(Br)cc3c2=O)C(=O)N1CCO ZINC000009292328 556274328 /nfs/dbraw/zinc/27/43/28/556274328.db2.gz ZTNNENADZFNPST-KRWDZBQOSA-N 0 0 430.254 3.102 50 0 IGAARN CCOC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 ZINC000009321108 556280786 /nfs/dbraw/zinc/28/07/86/556280786.db2.gz ZIEJZKVNGGTAJK-UHFFFAOYSA-N 0 0 430.464 3.287 50 0 IGAARN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCC ZINC000009324486 556281960 /nfs/dbraw/zinc/28/19/60/556281960.db2.gz XUESZIMPZRBMKD-XYOKQWHBSA-N 0 0 430.242 3.001 50 0 IGAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCO)cc1 ZINC000009347687 556283759 /nfs/dbraw/zinc/28/37/59/556283759.db2.gz RTCHRNKQGVQRQC-GOSISDBHSA-N 0 0 427.840 3.161 50 0 IGAARN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000009410450 556288163 /nfs/dbraw/zinc/28/81/63/556288163.db2.gz GHEKSPVASWHWKP-JKSUJKDBSA-N 0 0 436.942 3.344 50 0 IGAARN COc1cc2cc(C(=O)N[C@H](C(=O)Nc3nccs3)C(C)C)n(C)c2c(OC)c1OC ZINC000013720295 556289386 /nfs/dbraw/zinc/28/93/86/556289386.db2.gz QCOIHLDUWXFJJY-HNNXBMFYSA-N 0 0 446.529 3.054 50 0 IGAARN CC(C)(C)OC(=O)N[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000087493296 556289648 /nfs/dbraw/zinc/28/96/48/556289648.db2.gz LOORPDPTUOMYOZ-VQTJNVASSA-N 0 0 440.496 3.037 50 0 IGAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009489233 556294769 /nfs/dbraw/zinc/29/47/69/556294769.db2.gz POBPECXKDMVSCU-CQSZACIVSA-N 0 0 445.903 3.468 50 0 IGAARN COc1cccc(NC(=O)Cn2cnc3c(oc4nc(C)c5c(c43)CC(C)(C)OC5)c2=O)c1 ZINC000013731493 556295831 /nfs/dbraw/zinc/29/58/31/556295831.db2.gz YHYALJIMTCWPNB-UHFFFAOYSA-N 0 0 448.479 3.345 50 0 IGAARN COc1ccc(-c2cc(NC(=O)c3ccccc3F)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013732601 556296527 /nfs/dbraw/zinc/29/65/27/556296527.db2.gz ZERWIQOSTAAEER-OAHLLOKOSA-N 0 0 429.473 3.310 50 0 IGAARN Cc1ccc(CN(C)C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(C)c1 ZINC000032739530 556300015 /nfs/dbraw/zinc/30/00/15/556300015.db2.gz RXRSZNPYCXVJBK-UHFFFAOYSA-N 0 0 433.537 3.476 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 ZINC000009573985 556300061 /nfs/dbraw/zinc/30/00/61/556300061.db2.gz ZVAYIWBVBFUNFX-UHFFFAOYSA-N 0 0 441.488 3.476 50 0 IGAARN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000032741106 556302478 /nfs/dbraw/zinc/30/24/78/556302478.db2.gz KWHIHCADUVWHIV-DYESRHJHSA-N 0 0 446.569 3.433 50 0 IGAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccco1 ZINC000032744715 556304618 /nfs/dbraw/zinc/30/46/18/556304618.db2.gz AZMKWVATXNEHAP-HXUWFJFHSA-N 0 0 443.507 3.070 50 0 IGAARN CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Cl)cc1 ZINC000032736281 556306028 /nfs/dbraw/zinc/30/60/28/556306028.db2.gz QQXYHOGTZMVEFV-YADHBBJMSA-N 0 0 447.938 3.236 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12 ZINC000013778031 556307854 /nfs/dbraw/zinc/30/78/54/556307854.db2.gz XHGWIFLAYMIMRZ-DOTOQJQBSA-N 0 0 446.688 3.426 50 0 IGAARN C[C@H](O)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(Br)c1 ZINC000032738737 556308893 /nfs/dbraw/zinc/30/88/93/556308893.db2.gz BBMKIERNWMZONJ-LBPRGKRZSA-N 0 0 448.342 3.271 50 0 IGAARN CCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccnc32)cc1 ZINC000009830964 556311981 /nfs/dbraw/zinc/31/19/81/556311981.db2.gz VNRKUPZQFHTKSB-UHFFFAOYSA-N 0 0 428.492 3.002 50 0 IGAARN O[C@H](COC[C@@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000032751059 556313028 /nfs/dbraw/zinc/31/30/28/556313028.db2.gz PYMIDKUGDTUOQI-MOPGFXCFSA-N 0 0 430.505 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CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 ZINC000013556887 556516751 /nfs/dbraw/zinc/51/67/51/556516751.db2.gz ZDHYKHAEGGNPSZ-BCJZVPSXSA-N 0 0 429.586 3.236 50 0 IGAARN O=C1C=CC(=O)N1c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000031392758 556523172 /nfs/dbraw/zinc/52/31/72/556523172.db2.gz AYDAHOIUHVUJHQ-UHFFFAOYSA-N 0 0 427.368 3.095 50 0 in-vitro IGAARN CCn1nnc2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)ccc21 ZINC000015387077 556523955 /nfs/dbraw/zinc/52/39/55/556523955.db2.gz QNTSGCNFGROBCH-UHFFFAOYSA-N 0 0 433.921 3.141 50 0 IGAARN COc1ccc2c(C)c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc2c1C ZINC000013575480 556525598 /nfs/dbraw/zinc/52/55/98/556525598.db2.gz MHHODSHGZGNRIX-UHFFFAOYSA-N 0 0 447.491 3.397 50 0 IGAARN COC(=O)c1ccoc1COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000032899385 556530706 /nfs/dbraw/zinc/53/07/06/556530706.db2.gz SOQWGAWMJXAIJU-UHFFFAOYSA-N 0 0 431.466 3.479 50 0 IGAARN CCc1cc2oc(=O)cc(CN3CCN(c4ncnc5c4cnn5C)CC3)c2cc1Cl ZINC000032899570 556530985 /nfs/dbraw/zinc/53/09/85/556530985.db2.gz VTEZUIVILCICSR-UHFFFAOYSA-N 0 0 438.919 3.008 50 0 IGAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000015567541 556535375 /nfs/dbraw/zinc/53/53/75/556535375.db2.gz GOUKXGMVLFBRSY-UHFFFAOYSA-N 0 0 426.429 3.048 50 0 IGAARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(Cl)cc1 ZINC000032901718 556537226 /nfs/dbraw/zinc/53/72/26/556537226.db2.gz FORUAWWRGKPYHF-GFCCVEGCSA-N 0 0 439.859 3.188 50 0 IGAARN CCc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccc(OC)cc3OC)n2N)cc1 ZINC000032719439 556537276 /nfs/dbraw/zinc/53/72/76/556537276.db2.gz WWBGHESMUIQVMX-AWEZNQCLSA-N 0 0 441.557 3.208 50 0 IGAARN CCOc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)cc(OCC)c1OCC ZINC000015654439 556540812 /nfs/dbraw/zinc/54/08/12/556540812.db2.gz KHRWJYCQXZYDLX-CQSZACIVSA-N 0 0 436.505 3.196 50 0 IGAARN Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c(F)c1 ZINC000032579610 556541904 /nfs/dbraw/zinc/54/19/04/556541904.db2.gz 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Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 ZINC000015831210 556554588 /nfs/dbraw/zinc/55/45/88/556554588.db2.gz ZJFVEVXGCFADTA-GOSISDBHSA-N 0 0 425.506 3.239 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000013682610 556557753 /nfs/dbraw/zinc/55/77/53/556557753.db2.gz JKYBZUKFHGYLFP-HNNXBMFYSA-N 0 0 435.933 3.338 50 0 IGAARN C[C@@H](SCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc(Cl)cc1F ZINC000011097703 556559433 /nfs/dbraw/zinc/55/94/33/556559433.db2.gz GHEDXWMRAPVCAN-LLVKDONJSA-N 0 0 442.921 3.384 50 0 IGAARN O=C(NCCOc1ccccc1)[C@@H](c1cc(Br)cs1)N1CCOCC1 ZINC000072306887 556560622 /nfs/dbraw/zinc/56/06/22/556560622.db2.gz MRLRBPLORIUPFK-QGZVFWFLSA-N 0 0 425.348 3.079 50 0 IGAARN O=C(NCc1ccccc1)NC1(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCCC1 ZINC000032907963 556563901 /nfs/dbraw/zinc/56/39/01/556563901.db2.gz UAEFQZXGRVWPNF-UHFFFAOYSA-N 0 0 448.567 3.220 50 0 IGAARN CC(=O)OC[C@@]12[C@H](CCC[C@@]13CO3)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2OC(C)=O 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COc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1OCc1ccncc1 ZINC000032911942 556585310 /nfs/dbraw/zinc/58/53/10/556585310.db2.gz MCZIFXZNCCBKQG-UHFFFAOYSA-N 0 0 433.386 3.488 50 0 IGAARN COc1ccc(N2C[C@H](C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2=O)cc1 ZINC000032912094 556585603 /nfs/dbraw/zinc/58/56/03/556585603.db2.gz UGFQLKNKZZUUIS-HXUWFJFHSA-N 0 0 432.524 3.291 50 0 IGAARN CCCOc1c(Br)cc(/C=C2/NC(=S)N(C(C)=O)C2=O)cc1OCC ZINC000016183986 556587453 /nfs/dbraw/zinc/58/74/53/556587453.db2.gz PSAAEELRMWGLGG-MDWZMJQESA-N 0 0 427.320 3.241 50 0 IGAARN COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000016194206 556589499 /nfs/dbraw/zinc/58/94/99/556589499.db2.gz VIDSHFAIJGRJFG-UHFFFAOYSA-N 0 0 431.297 3.185 50 0 IGAARN Cc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000036213226 556594833 /nfs/dbraw/zinc/59/48/33/556594833.db2.gz RFAJEDNKHGZEHO-VWLOTQADSA-N 0 0 447.579 3.243 50 0 IGAARN COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1Cc1ccccc1 ZINC000016274311 556596345 /nfs/dbraw/zinc/59/63/45/556596345.db2.gz YFJNRIZBERKBQL-UHFFFAOYSA-N 0 0 426.494 3.194 50 0 IGAARN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000016287019 556597596 /nfs/dbraw/zinc/59/75/96/556597596.db2.gz MRRIKBHHOYSTRM-HXUWFJFHSA-N 0 0 434.334 3.223 50 0 IGAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NC1CCCCCC1 ZINC000032975696 556600410 /nfs/dbraw/zinc/60/04/10/556600410.db2.gz JOSFWTXTVTWDJO-RTBURBONSA-N 0 0 448.585 3.372 50 0 IGAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000032976442 556600648 /nfs/dbraw/zinc/60/06/48/556600648.db2.gz KTELGOFIBAKVJS-HNNXBMFYSA-N 0 0 440.338 3.212 50 0 IGAARN CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016447556 556608035 /nfs/dbraw/zinc/60/80/35/556608035.db2.gz LWSRVLROUXGGFQ-SOSWSAFESA-N 0 0 446.613 3.216 50 0 IGAARN CCOc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000032987630 556608012 /nfs/dbraw/zinc/60/80/12/556608012.db2.gz WCDOGAWAHWIOFJ-UHFFFAOYSA-N 0 0 444.488 3.161 50 0 IGAARN Cc1ccccc1-c1nn2c(nc(N3CCN(C(=O)Nc4ccccc4)CC3)cc2=O)s1 ZINC000032996124 556611436 /nfs/dbraw/zinc/61/14/36/556611436.db2.gz WKFVEHOMIRCRIB-UHFFFAOYSA-N 0 0 446.536 3.481 50 0 IGAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1 ZINC000032916412 556615010 /nfs/dbraw/zinc/61/50/10/556615010.db2.gz NKKSDNISBHJHHV-UHFFFAOYSA-N 0 0 434.521 3.017 50 0 IGAARN CCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000033668677 556619953 /nfs/dbraw/zinc/61/99/53/556619953.db2.gz POVHAXNVYFFYKY-IBGZPJMESA-N 0 0 428.485 3.068 50 0 IGAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2cccs2)cc1 ZINC000016685301 556625409 /nfs/dbraw/zinc/62/54/09/556625409.db2.gz NHZQZCJEJJHHFG-UHFFFAOYSA-N 0 0 449.941 3.231 50 0 IGAARN CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)C1=O ZINC000016694767 556628209 /nfs/dbraw/zinc/62/82/09/556628209.db2.gz FHMMEYIETRNIFO-NRFANRHFSA-N 0 0 440.529 3.143 50 0 IGAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(F)cc3)sc2=N1 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CCOc1ccccc1-c1noc(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)n1 ZINC000011747468 556650105 /nfs/dbraw/zinc/65/01/05/556650105.db2.gz HOTVVPHDFHTNQV-AQTBWJFISA-N 0 0 432.440 3.172 50 0 IGAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)[C@@H]21 ZINC000100698280 556650559 /nfs/dbraw/zinc/65/05/59/556650559.db2.gz RSSGZZGOMCPFEH-NLSFWIRASA-N 0 0 447.510 3.490 50 0 IGAARN COc1cccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016960515 556651204 /nfs/dbraw/zinc/65/12/04/556651204.db2.gz TYUOBVKIYBHLAR-UHFFFAOYSA-N 0 0 445.527 3.312 50 0 IGAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1c(F)cccc1Cl ZINC000032999599 556653174 /nfs/dbraw/zinc/65/31/74/556653174.db2.gz MHIUGPLBURUJDA-UHFFFAOYSA-N 0 0 433.867 3.324 50 0 IGAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1nc(Cl)ccc1Cl ZINC000032999606 556653254 /nfs/dbraw/zinc/65/32/54/556653254.db2.gz VCTRNYGRXPMRKW-UHFFFAOYSA-N 0 0 437.283 3.304 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000032927418 556656307 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Cc1cccc(C)c1NC(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292853 569130870 /nfs/dbraw/zinc/13/08/70/569130870.db2.gz IWUQJESBGGYAQJ-UHFFFAOYSA-N 0 0 434.544 3.418 50 0 IGAARN COc1ccccc1NC(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293338 569131016 /nfs/dbraw/zinc/13/10/16/569131016.db2.gz IUINFWJZVJHMTJ-NRFANRHFSA-N 0 0 440.519 3.175 50 0 IGAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)c4cnccn4)CC3)sc12 ZINC000065300209 569132256 /nfs/dbraw/zinc/13/22/56/569132256.db2.gz SWFJCUYZGGLBMK-UHFFFAOYSA-N 0 0 433.541 3.241 50 0 IGAARN Cc1ccc(-n2c(CC(=O)N3CCN(c4ccccn4)CC3)c3[nH]cccc-3c2=O)cc1 ZINC000065307556 569132346 /nfs/dbraw/zinc/13/23/46/569132346.db2.gz DRZDZQKDDKXLEO-NRFANRHFSA-N 0 0 427.508 3.225 50 0 IGAARN Cc1ccc(CNC(=O)Cn2nc3cc(C)nc(Nc4cc(C)cc(C)c4)n3c2=O)cc1 ZINC000065307868 569132545 /nfs/dbraw/zinc/13/25/45/569132545.db2.gz AVVZBVSWJULLER-UHFFFAOYSA-N 0 0 430.512 3.185 50 0 IGAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccc(C)c(Cl)c3)S2(=O)=O)c1 ZINC000065304977 569132913 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COc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318802 569134342 /nfs/dbraw/zinc/13/43/42/569134342.db2.gz OMXNVLWAFXYUCO-UHFFFAOYSA-N 0 0 442.497 3.090 50 0 IGAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000065318796 569134385 /nfs/dbraw/zinc/13/43/85/569134385.db2.gz LOBKNWJTUJPKOY-UHFFFAOYSA-N 0 0 448.451 3.360 50 0 IGAARN Cc1cccc(N(C)S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318881 569134500 /nfs/dbraw/zinc/13/45/00/569134500.db2.gz ICLJMWRHOFJIFG-UHFFFAOYSA-N 0 0 440.525 3.415 50 0 IGAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1 ZINC000065318826 569134557 /nfs/dbraw/zinc/13/45/57/569134557.db2.gz DIXFGLFVWYIESH-UHFFFAOYSA-N 0 0 440.525 3.068 50 0 IGAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)NCc1cccs1 ZINC000065318963 569134640 /nfs/dbraw/zinc/13/46/40/569134640.db2.gz FTKAWSQSYVTTLM-UHFFFAOYSA-N 0 0 446.554 3.211 50 0 IGAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700309 569135151 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COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c(OC)c1 ZINC000036616507 524030696 /nfs/dbraw/zinc/03/06/96/524030696.db2.gz PJGABGIDVJFCBF-UHFFFAOYSA-N 0 0 449.555 3.129 50 0 IGAARN COc1ccc(CN2CCN(C(=O)c3ccc(CSc4nc[nH]n4)cc3)CC2)cc1F ZINC000021390442 524030910 /nfs/dbraw/zinc/03/09/10/524030910.db2.gz OPXAKSDUPMYBHX-UHFFFAOYSA-N 0 0 441.532 3.203 50 0 IGAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000035531477 524045291 /nfs/dbraw/zinc/04/52/91/524045291.db2.gz FLUDMCQAYYLXPK-UHFFFAOYSA-N 0 0 436.961 3.456 50 0 IGAARN COc1ccc(CNC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 ZINC000021657180 524053954 /nfs/dbraw/zinc/05/39/54/524053954.db2.gz JZMOJPSBXQABFI-UHFFFAOYSA-N 0 0 449.580 3.220 50 0 IGAARN COc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1 ZINC000035535104 524055618 /nfs/dbraw/zinc/05/56/18/524055618.db2.gz YIYZTPZLDWRLBG-UHFFFAOYSA-N 0 0 441.487 3.261 50 0 IGAARN CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)c1 ZINC000012899949 524071801 /nfs/dbraw/zinc/07/18/01/524071801.db2.gz QZDJZWJTIMVCOY-SFHVURJKSA-N 0 0 441.553 3.025 50 0 IGAARN C[C@@H](C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1)n1cncn1 ZINC000012386267 524097683 /nfs/dbraw/zinc/09/76/83/524097683.db2.gz AIRIZMBJRXEGTE-FQEVSTJZSA-N 0 0 437.588 3.339 50 0 IGAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCC2CC2)c1OC ZINC000036054486 524121172 /nfs/dbraw/zinc/12/11/72/524121172.db2.gz SUUSZUFSPVFOBJ-PMACEKPBSA-N 0 0 426.488 3.225 50 0 IGAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC2CC2)c1OC ZINC000036054489 524121404 /nfs/dbraw/zinc/12/14/04/524121404.db2.gz SUUSZUFSPVFOBJ-VQTJNVASSA-N 0 0 426.488 3.225 50 0 IGAARN Cc1cccc(-c2nn3c(nc(CNC(=O)COc4ccc(Cl)cc4)cc3=O)s2)c1 ZINC000041078179 524121806 /nfs/dbraw/zinc/12/18/06/524121806.db2.gz CHHCAKMXYNDJGX-UHFFFAOYSA-N 0 0 440.912 3.475 50 0 IGAARN COc1cccc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)NCc2ccccc2)c1OC ZINC000036054272 524122935 /nfs/dbraw/zinc/12/29/35/524122935.db2.gz KYHGLMXHNHEHQL-VQTJNVASSA-N 0 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COc1cccc2[nH]c(C(=O)NCCCC(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000020714066 524194168 /nfs/dbraw/zinc/19/41/68/524194168.db2.gz HJAQUGWAACOUIO-UHFFFAOYSA-N 0 0 434.540 3.031 50 0 IGAARN COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609357 524217001 /nfs/dbraw/zinc/21/70/01/524217001.db2.gz SKSXVFTWKAHJLL-QGZVFWFLSA-N 0 0 430.888 3.056 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2-c2cccc(C)c2C)c1=O ZINC000016047549 524232160 /nfs/dbraw/zinc/23/21/60/524232160.db2.gz NYSADWGVADUTFH-UHFFFAOYSA-N 0 0 437.887 3.500 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022803630 524247901 /nfs/dbraw/zinc/24/79/01/524247901.db2.gz LCFHMYZEUYXTIL-KRWDZBQOSA-N 0 0 432.362 3.473 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022792526 524254661 /nfs/dbraw/zinc/25/46/61/524254661.db2.gz KMVYORWVQMVBOD-AWEZNQCLSA-N 0 0 436.890 3.202 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964664 524255106 /nfs/dbraw/zinc/25/51/06/524255106.db2.gz CEZZXYBFFPQRLQ-HXPMCKFVSA-N 0 0 442.878 3.299 50 0 IGAARN COc1ccc(Cn2c(CCC(=O)NCc3ccccc3)nc3ncccc3c2=O)cc1 ZINC000020436050 524258373 /nfs/dbraw/zinc/25/83/73/524258373.db2.gz VDETZROOSJDMQE-UHFFFAOYSA-N 0 0 428.492 3.097 50 0 IGAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000012860473 524267224 /nfs/dbraw/zinc/26/72/24/524267224.db2.gz XOHOEXPVNCZSFH-YBTHPKLGSA-N 0 0 449.385 3.228 50 0 IGAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)on1 ZINC000012793848 524268146 /nfs/dbraw/zinc/26/81/46/524268146.db2.gz UMJGOBZUENWPGF-UHFFFAOYSA-N 0 0 441.553 3.474 50 0 IGAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000036021673 524270212 /nfs/dbraw/zinc/27/02/12/524270212.db2.gz HZEZHFHVAUYMKY-LBPRGKRZSA-N 0 0 448.397 3.388 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000016624786 524272358 /nfs/dbraw/zinc/27/23/58/524272358.db2.gz MALZHQXDYOLKCP-UHFFFAOYSA-N 0 0 439.375 3.410 50 0 IGAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000012808890 524279809 /nfs/dbraw/zinc/27/98/09/524279809.db2.gz HBWCQZNVYIEUCN-UHFFFAOYSA-N 0 0 443.569 3.093 50 0 IGAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c(C)c1 ZINC000012445104 524292609 /nfs/dbraw/zinc/29/26/09/524292609.db2.gz FFMWMVXQDOQETN-UHFFFAOYSA-N 0 0 433.508 3.038 50 0 biogenic,in-vitro IGAARN Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)c1 ZINC000035432543 524333403 /nfs/dbraw/zinc/33/34/03/524333403.db2.gz MTBQOGHELWWPLV-UHFFFAOYSA-N 0 0 425.554 3.020 50 0 IGAARN COc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)n3c(C)csc3n2)s1 ZINC000020984307 524361212 /nfs/dbraw/zinc/36/12/12/524361212.db2.gz OKHVSTCRVXUXRW-UHFFFAOYSA-N 0 0 445.551 3.469 50 0 IGAARN COc1ccc(N(Cc2cccs2)C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000035307694 524369362 /nfs/dbraw/zinc/36/93/62/524369362.db2.gz OAUCTAVROGKXFW-QFIPXVFZSA-N 0 0 435.549 3.202 50 0 IGAARN Cc1cc(C)cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC000040088482 524369858 /nfs/dbraw/zinc/36/98/58/524369858.db2.gz VKRFQPBOZYROCM-UHFFFAOYSA-N 0 0 429.524 3.237 50 0 IGAARN Cc1cc(C)cc(NC(=O)CN2c3ccc(S(=O)(=O)N4CCCC4)cc3CCC2=O)c1 ZINC000021031394 524419257 /nfs/dbraw/zinc/41/92/57/524419257.db2.gz RQCDKPMRUVNGGJ-UHFFFAOYSA-N 0 0 441.553 3.006 50 0 IGAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1 ZINC000021874844 524433938 /nfs/dbraw/zinc/43/39/38/524433938.db2.gz HOMDZOFSFHSEIA-XMMPIXPASA-N 0 0 437.544 3.045 50 0 IGAARN Cc1ccc(CN2CCN(C3CCN(C(=O)CC4CCCCC4)CC3)C(=O)C2=O)cc1 ZINC000035376530 524455942 /nfs/dbraw/zinc/45/59/42/524455942.db2.gz QBJKWPLPYSRLQO-UHFFFAOYSA-N 0 0 425.573 3.127 50 0 IGAARN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000040104891 524494878 /nfs/dbraw/zinc/49/48/78/524494878.db2.gz VLIGZUKKOSGENT-INIZCTEOSA-N 0 0 427.530 3.361 50 0 IGAARN COc1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000012766236 524502359 /nfs/dbraw/zinc/50/23/59/524502359.db2.gz LLSXNVOYQBJPLB-UHFFFAOYSA-N 0 0 433.313 3.270 50 0 IGAARN Cc1ccc(CNC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000021360972 524507605 /nfs/dbraw/zinc/50/76/05/524507605.db2.gz KEYUMGDRFBZDPI-UHFFFAOYSA-N 0 0 431.540 3.115 50 0 IGAARN Cc1ccc(CNC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1 ZINC000035532959 524509759 /nfs/dbraw/zinc/50/97/59/524509759.db2.gz FFLFNSWGPMWGRY-UHFFFAOYSA-N 0 0 431.612 3.356 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000022768030 524532606 /nfs/dbraw/zinc/53/26/06/524532606.db2.gz MJSKKXWBNIZNKR-UHFFFAOYSA-N 0 0 433.443 3.246 50 0 IGAARN C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012885807 524533403 /nfs/dbraw/zinc/53/34/03/524533403.db2.gz AKMVVLSLFPLHJP-KRWDZBQOSA-N 0 0 435.977 3.377 50 0 IGAARN COc1ccccc1N1CCN(C(=O)CCN2C(=S)N=NC2c2ccc(F)cc2)CC1 ZINC000017333499 524542786 /nfs/dbraw/zinc/54/27/86/524542786.db2.gz GNACUGAYGBJSDU-UHFFFAOYSA-N 0 0 441.532 3.120 50 0 IGAARN Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccc(Cl)s4)CC3)CC2)c1 ZINC000022818674 524545276 /nfs/dbraw/zinc/54/52/76/524545276.db2.gz VTDOCBNYMNYFCO-UHFFFAOYSA-N 0 0 433.021 3.176 50 0 IGAARN COc1ccccc1N1CCN(CCCNC(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1 ZINC000021148786 524554800 /nfs/dbraw/zinc/55/48/00/524554800.db2.gz QSAPVGBNJQJPLO-UHFFFAOYSA-N 0 0 449.555 3.179 50 0 IGAARN C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000021526795 524555595 /nfs/dbraw/zinc/55/55/95/524555595.db2.gz CWZMDSYYOWOGPT-ROUUACIJSA-N 0 0 445.585 3.105 50 0 IGAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccccc1OC ZINC000017243196 524587542 /nfs/dbraw/zinc/58/75/42/524587542.db2.gz KDXIVVDUERJCCE-JOCHJYFZSA-N 0 0 449.511 3.148 50 0 IGAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)N(C(C)C)C3CCCCC3)CC2)c1C ZINC000022781067 524591937 /nfs/dbraw/zinc/59/19/37/524591937.db2.gz LYVRABGNSRHCAB-UHFFFAOYSA-N 0 0 428.621 3.429 50 0 IGAARN COc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000041156353 524609655 /nfs/dbraw/zinc/60/96/55/524609655.db2.gz OUDCVYVLQXZSIF-AWEZNQCLSA-N 0 0 440.978 3.351 50 0 IGAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1OC(F)F ZINC000012774916 524633907 /nfs/dbraw/zinc/63/39/07/524633907.db2.gz JILVOVJYTXXJDZ-UHFFFAOYSA-N 0 0 434.848 3.453 50 0 IGAARN C[C@H]1CN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000012550565 524647623 /nfs/dbraw/zinc/64/76/23/524647623.db2.gz RKOLAKKTXQNWIA-IUCAKERBSA-N 0 0 431.128 3.057 50 0 IGAARN Cc1cc(CN2CCN(CC(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)CC2)no1 ZINC000022804812 524693684 /nfs/dbraw/zinc/69/36/84/524693684.db2.gz BBEBTBUGBILMBA-UHFFFAOYSA-N 0 0 447.539 3.300 50 0 IGAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)N1CCOCC1 ZINC000036051832 524758737 /nfs/dbraw/zinc/75/87/37/524758737.db2.gz GRVYHNLGBFHBNR-PMACEKPBSA-N 0 0 428.916 3.063 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)Cc3ccco3)no2)c1 ZINC000036015141 524788414 /nfs/dbraw/zinc/78/84/14/524788414.db2.gz WFZUGFQPMOBZCN-UHFFFAOYSA-N 0 0 439.468 3.263 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CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 ZINC000002982356 555872810 /nfs/dbraw/zinc/87/28/10/555872810.db2.gz FEFIWZMSXVGERZ-UHFFFAOYSA-N 0 0 439.278 3.376 50 0 IGAARN COc1ccc(N([C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000002982617 555872834 /nfs/dbraw/zinc/87/28/34/555872834.db2.gz UPYMAGQELCQWIP-AWEZNQCLSA-N 0 0 442.990 3.412 50 0 IGAARN Cc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000002984947 555873800 /nfs/dbraw/zinc/87/38/00/555873800.db2.gz DDOAQVABENXREW-UHFFFAOYSA-N 0 0 426.991 3.464 50 0 IGAARN O=C(NCCCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 ZINC000002995943 555875991 /nfs/dbraw/zinc/87/59/91/555875991.db2.gz IKHJDCOZIGALCA-UHFFFAOYSA-N 0 0 434.084 3.338 50 0 IGAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 ZINC000003033632 555882445 /nfs/dbraw/zinc/88/24/45/555882445.db2.gz RTFPBEZTOGMADT-UHFFFAOYSA-N 0 0 426.513 3.376 50 0 IGAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000010549524 555890886 /nfs/dbraw/zinc/89/08/86/555890886.db2.gz 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556313927 /nfs/dbraw/zinc/31/39/27/556313927.db2.gz DCRCFFYSQQRKMT-MRXNPFEDSA-N 0 0 430.555 3.489 50 0 IGAARN NC(=O)[C@H]1CC(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)=NN1c1ccccc1 ZINC000032752993 556314096 /nfs/dbraw/zinc/31/40/96/556314096.db2.gz PSYHGNXMEGAEDT-QGZVFWFLSA-N 0 0 448.483 3.261 50 0 IGAARN COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032752971 556314196 /nfs/dbraw/zinc/31/41/96/556314196.db2.gz XSJIFIAXMREBAF-NSHDSACASA-N 0 0 429.498 3.147 50 0 IGAARN CCNC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032745185 556314813 /nfs/dbraw/zinc/31/48/13/556314813.db2.gz LLVGRSOPZFIBGY-UHFFFAOYSA-N 0 0 448.508 3.002 50 0 IGAARN CCOc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(CC)cc2)cc1 ZINC000009971146 556319222 /nfs/dbraw/zinc/31/92/22/556319222.db2.gz WVIDZEUATIDKLQ-FQEVSTJZSA-N 0 0 440.569 3.174 50 0 IGAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)COc1ccc(Br)cc1 ZINC000032753873 556323108 /nfs/dbraw/zinc/32/31/08/556323108.db2.gz HDFMHNALKNEWPT-CYBMUJFWSA-N 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COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000013992395 556353144 /nfs/dbraw/zinc/35/31/44/556353144.db2.gz LEOBYKZCUCJVID-UHFFFAOYSA-N 0 0 429.476 3.053 50 0 IGAARN C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1ccccc1F ZINC000014018084 556355960 /nfs/dbraw/zinc/35/59/60/556355960.db2.gz BTDXMXKPPRORNL-SNVBAGLBSA-N 0 0 438.830 3.481 50 0 IGAARN CCOc1cc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC ZINC000004504536 556358949 /nfs/dbraw/zinc/35/89/49/556358949.db2.gz JJEKNIKICVVKFU-KRWDZBQOSA-N 0 0 427.563 3.168 50 0 IGAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014066953 556359233 /nfs/dbraw/zinc/35/92/33/556359233.db2.gz ZJHCSSRDJOSIDH-UHFFFAOYSA-N 0 0 443.500 3.326 50 0 IGAARN CC(C)c1ccc([C@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2cccs2)cc1 ZINC000032796530 556361445 /nfs/dbraw/zinc/36/14/45/556361445.db2.gz VZRRXIIURNSPLR-FQEVSTJZSA-N 0 0 448.548 3.337 50 0 IGAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000032797170 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IGAARN COc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3cnc4ccccc43)n2)cc1 ZINC000049422548 557109613 /nfs/dbraw/zinc/10/96/13/557109613.db2.gz RAYCPQRIAIYNPH-UHFFFAOYSA-N 0 0 431.500 3.115 50 0 IGAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000011360284 557110558 /nfs/dbraw/zinc/11/05/58/557110558.db2.gz LOHFGMASKXNLMV-UHFFFAOYSA-N 0 0 429.523 3.302 50 0 IGAARN Cc1nn(C)c2sc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)cc12 ZINC000011358272 557110907 /nfs/dbraw/zinc/11/09/07/557110907.db2.gz LNLBKBDNTCEVAZ-UHFFFAOYSA-N 0 0 430.511 3.267 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCc2sccc2C1 ZINC000010923287 557111421 /nfs/dbraw/zinc/11/14/21/557111421.db2.gz LYUQPLFGPNPYCJ-UHFFFAOYSA-N 0 0 426.510 3.012 50 0 IGAARN Cc1sc2ncn(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1C ZINC000023746095 557114085 /nfs/dbraw/zinc/11/40/85/557114085.db2.gz AXGZZGBPUXFDRQ-UHFFFAOYSA-N 0 0 430.961 3.467 50 0 IGAARN Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C ZINC000000640121 557114298 /nfs/dbraw/zinc/11/42/98/557114298.db2.gz LEZZZYXWWOQIFT-UHFFFAOYSA-N 0 0 428.333 3.109 50 0 IGAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000049693998 557117957 /nfs/dbraw/zinc/11/79/57/557117957.db2.gz NPDAXDPWFDKHPP-KSEUIEODSA-N 0 0 446.573 3.172 50 0 IGAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000023818518 557118291 /nfs/dbraw/zinc/11/82/91/557118291.db2.gz MSRDDKDOAHTFQO-AREMUKBSSA-N 0 0 446.551 3.251 50 0 IGAARN Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000023882554 557123019 /nfs/dbraw/zinc/12/30/19/557123019.db2.gz DRZNTWPFBKFNPH-OAQYLSRUSA-N 0 0 446.551 3.345 50 0 IGAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC000000631381 557123108 /nfs/dbraw/zinc/12/31/08/557123108.db2.gz IGHPECIOGSOVHL-UHFFFAOYSA-N 0 0 438.488 3.441 50 0 IGAARN CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 ZINC000000631062 557123214 /nfs/dbraw/zinc/12/32/14/557123214.db2.gz HLTRPRRXYWMHKC-UHFFFAOYSA-N 0 0 429.586 3.499 50 0 IGAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000060777962 557123597 /nfs/dbraw/zinc/12/35/97/557123597.db2.gz SDXDLTZAMXVIRK-MRXNPFEDSA-N 0 0 427.259 3.472 50 0 IGAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N1CC2 ZINC000004790549 557124036 /nfs/dbraw/zinc/12/40/36/557124036.db2.gz FNJNBPYTWRRQAU-RPWUZVMVSA-N 0 0 443.503 3.252 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc32)NC(=O)N[C@@H]1C ZINC000023909441 557125919 /nfs/dbraw/zinc/12/59/19/557125919.db2.gz QCZDMNUDTFHTST-CYBMUJFWSA-N 0 0 435.436 3.170 50 0 IGAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(CN4CCCC4)o3)c2c1C ZINC000023967781 557128032 /nfs/dbraw/zinc/12/80/32/557128032.db2.gz FWRSREHSRNXREQ-UHFFFAOYSA-N 0 0 446.602 3.270 50 0 IGAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023968272 557128353 /nfs/dbraw/zinc/12/83/53/557128353.db2.gz USPHKEKOGIBIKM-UHFFFAOYSA-N 0 0 433.537 3.449 50 0 IGAARN CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1 ZINC000023983328 557129621 /nfs/dbraw/zinc/12/96/21/557129621.db2.gz SLAFCPWPWGGBII-LBPRGKRZSA-N 0 0 430.901 3.037 50 0 IGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011378160 557129907 /nfs/dbraw/zinc/12/99/07/557129907.db2.gz SHQCGIBKUVWCIG-AWEZNQCLSA-N 0 0 426.546 3.069 50 0 IGAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000017961382 557132627 /nfs/dbraw/zinc/13/26/27/557132627.db2.gz ZOMDUKFYKUSPPO-CQSZACIVSA-N 0 0 425.348 3.255 50 0 IGAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(OC)c(O)c1 ZINC000024762998 557135278 /nfs/dbraw/zinc/13/52/78/557135278.db2.gz MHNUJAMEVRUHLA-HXUWFJFHSA-N 0 0 442.493 3.055 50 0 IGAARN C[C@@H](C(=O)OCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)n1c2ccccc2oc1=O ZINC000024115928 557137697 /nfs/dbraw/zinc/13/76/97/557137697.db2.gz AQLMVOBCSQGTTC-NSHDSACASA-N 0 0 440.847 3.063 50 0 IGAARN C[C@H](C(=O)OCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)n1c2ccccc2oc1=O ZINC000024115932 557137748 /nfs/dbraw/zinc/13/77/48/557137748.db2.gz AQLMVOBCSQGTTC-LLVKDONJSA-N 0 0 440.847 3.063 50 0 IGAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137238 557138305 /nfs/dbraw/zinc/13/83/05/557138305.db2.gz VATUOOZELZBDCD-DEOSSOPVSA-N 0 0 431.536 3.230 50 0 IGAARN Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000024164448 557139031 /nfs/dbraw/zinc/13/90/31/557139031.db2.gz HEMRKFCMSIKVRG-ROUUACIJSA-N 0 0 436.556 3.184 50 0 IGAARN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccccc1 ZINC000011411051 557142522 /nfs/dbraw/zinc/14/25/22/557142522.db2.gz CSGVEBKSUZGTAG-HNNXBMFYSA-N 0 0 434.489 3.184 50 0 IGAARN COC(=O)c1cccc(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000024354535 557145067 /nfs/dbraw/zinc/14/50/67/557145067.db2.gz GTUYMTUJCNEMPS-UHFFFAOYSA-N 0 0 425.462 3.171 50 0 IGAARN C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)C1 ZINC000011426919 557146302 /nfs/dbraw/zinc/14/63/02/557146302.db2.gz XFSWVWYFHTYPHZ-GJZGRUSLSA-N 0 0 448.593 3.118 50 0 IGAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000000719770 557149289 /nfs/dbraw/zinc/14/92/89/557149289.db2.gz NUKDBDQFNKQCCD-UHFFFAOYSA-N 0 0 433.899 3.250 50 0 IGAARN CCNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000024586201 557152263 /nfs/dbraw/zinc/15/22/63/557152263.db2.gz YEEWELQTLLPPSH-UHFFFAOYSA-N 0 0 439.493 3.349 50 0 IGAARN CSCC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247543868 557152463 /nfs/dbraw/zinc/15/24/63/557152463.db2.gz TUIAVEMORXUEKY-GUDVDZBRSA-N 0 0 443.569 3.271 50 0 IGAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000024602074 557152844 /nfs/dbraw/zinc/15/28/44/557152844.db2.gz DQYDPUKPBMCATQ-CQSZACIVSA-N 0 0 438.484 3.168 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608697 557154019 /nfs/dbraw/zinc/15/40/19/557154019.db2.gz IYYJCWAMOOIXTD-UHFFFAOYSA-N 0 0 436.917 3.249 50 0 IGAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610469 557154800 /nfs/dbraw/zinc/15/48/00/557154800.db2.gz LPXYGQGSZOTBCO-UHFFFAOYSA-N 0 0 436.961 3.207 50 0 IGAARN COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 ZINC000024612314 557155412 /nfs/dbraw/zinc/15/54/12/557155412.db2.gz RECYAKRQCNULFF-UHFFFAOYSA-N 0 0 444.553 3.271 50 0 IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc(Cl)cc1Cl ZINC000095207623 557156491 /nfs/dbraw/zinc/15/64/91/557156491.db2.gz YYEOWTIAYGGWBV-AWEZNQCLSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(CN2CCOCC2)cc1 ZINC000024643466 557156904 /nfs/dbraw/zinc/15/69/04/557156904.db2.gz GYLWMGWJUIZERB-UHFFFAOYSA-N 0 0 430.932 3.192 50 0 IGAARN O=C(Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000011530227 557159921 /nfs/dbraw/zinc/15/99/21/557159921.db2.gz FSTCBTOFAWQNQE-UHFFFAOYSA-N 0 0 445.932 3.275 50 0 IGAARN O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206787669 557163500 /nfs/dbraw/zinc/16/35/00/557163500.db2.gz ULCSWGATZABELH-SFHVURJKSA-N 0 0 433.409 3.498 50 0 IGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000024768737 557165565 /nfs/dbraw/zinc/16/55/65/557165565.db2.gz XWCHRXWBLQTYHK-JOCHJYFZSA-N 0 0 438.553 3.204 50 0 IGAARN Cc1noc(C)c1CCC(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000024822952 557169051 /nfs/dbraw/zinc/16/90/51/557169051.db2.gz UNNNLLNNKGBLQT-UHFFFAOYSA-N 0 0 437.544 3.359 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000024831048 557170295 /nfs/dbraw/zinc/17/02/95/557170295.db2.gz IQXCXXBSHPDSLE-UHFFFAOYSA-N 0 0 438.553 3.347 50 0 IGAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)c1ccc(F)cc1 ZINC000024847241 557174212 /nfs/dbraw/zinc/17/42/12/557174212.db2.gz GGZBEKRUZTUKCR-GUYCJALGSA-N 0 0 425.412 3.029 50 0 IGAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2NS(C)(=O)=O)cc1 ZINC000024886305 557176845 /nfs/dbraw/zinc/17/68/45/557176845.db2.gz GHAXPUWCVSXMDO-UHFFFAOYSA-N 0 0 429.498 3.423 50 0 IGAARN COc1ccccc1CNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccco1 ZINC000024969228 557183445 /nfs/dbraw/zinc/18/34/45/557183445.db2.gz KGEJVCGYBSQUHQ-RUZDIDTESA-N 0 0 445.475 3.084 50 0 IGAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1OC ZINC000024983407 557185831 /nfs/dbraw/zinc/18/58/31/557185831.db2.gz NKJCDZLEUMKKCW-ZDUSSCGKSA-N 0 0 439.468 3.288 50 0 IGAARN CCC(=O)N(c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)s1)C1CC1 ZINC000024988238 557186755 /nfs/dbraw/zinc/18/67/55/557186755.db2.gz OXTZATWNSWLDKJ-LLVKDONJSA-N 0 0 434.543 3.142 50 0 IGAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000024988492 557187060 /nfs/dbraw/zinc/18/70/60/557187060.db2.gz LZBBTLWLVMZDKY-RTBURBONSA-N 0 0 428.554 3.070 50 0 IGAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000024991633 557187685 /nfs/dbraw/zinc/18/76/85/557187685.db2.gz WYKHWUGEWHNMSA-PKOBYXMFSA-N 0 0 437.525 3.111 50 0 IGAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNC(=O)c3ccsc3)C2=O)cc1 ZINC000097996729 557188311 /nfs/dbraw/zinc/18/83/11/557188311.db2.gz UTICNIBYVWAYJH-SFQUDFHCSA-N 0 0 443.550 3.029 50 0 IGAARN CCc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000025052459 557191706 /nfs/dbraw/zinc/19/17/06/557191706.db2.gz PZDGJPSLOBJSIP-MOPGFXCFSA-N 0 0 428.554 3.016 50 0 IGAARN Cc1cccc(OCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1C ZINC000025053333 557191730 /nfs/dbraw/zinc/19/17/30/557191730.db2.gz IUIANKDKYTWOOW-UHFFFAOYSA-N 0 0 428.554 3.446 50 0 IGAARN O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)N1CCc2ccccc21 ZINC000025058367 557192495 /nfs/dbraw/zinc/19/24/95/557192495.db2.gz MILAFDTWVKQEIR-UHFFFAOYSA-N 0 0 439.397 3.190 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(OC)ccc3n2C)cc1 ZINC000100852820 557192767 /nfs/dbraw/zinc/19/27/67/557192767.db2.gz FQJBFQNKIZPPHG-QZQOTICOSA-N 0 0 433.555 3.020 50 0 IGAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000025066272 557193907 /nfs/dbraw/zinc/19/39/07/557193907.db2.gz SWARCMFZHMYWAK-UHFFFAOYSA-N 0 0 429.542 3.025 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 ZINC000025065622 557193930 /nfs/dbraw/zinc/19/39/30/557193930.db2.gz FVTDXSVSYUHJDY-UHFFFAOYSA-N 0 0 439.537 3.239 50 0 IGAARN COC(=O)C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cccs1 ZINC000072232404 557194487 /nfs/dbraw/zinc/19/44/87/557194487.db2.gz BNLPCVNPSZHJCE-ZDUSSCGKSA-N 0 0 436.324 3.374 50 0 IGAARN Cc1cc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)no1 ZINC000025136993 557196169 /nfs/dbraw/zinc/19/61/69/557196169.db2.gz LHQGEENFNKJDAK-UHFFFAOYSA-N 0 0 446.573 3.030 50 0 IGAARN O=C(Nc1n[nH]c(-c2ccccc2)n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000025157429 557197631 /nfs/dbraw/zinc/19/76/31/557197631.db2.gz OURAZYGXXGMWPL-UHFFFAOYSA-N 0 0 445.504 3.475 50 0 IGAARN CC(C)(C)c1cc(NC(=O)COc2ccc(F)cc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000025161022 557197698 /nfs/dbraw/zinc/19/76/98/557197698.db2.gz MMAVQKHTCWTLDR-ZDUSSCGKSA-N 0 0 443.928 3.350 50 0 IGAARN O=C(c1ccc(Cn2cncn2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023307703 557199802 /nfs/dbraw/zinc/19/98/02/557199802.db2.gz PXPPTPLDBJVREJ-UHFFFAOYSA-N 0 0 430.434 3.093 50 0 IGAARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000100910601 557199990 /nfs/dbraw/zinc/19/99/90/557199990.db2.gz KUIXNYHLMVAWDN-FCQUAONHSA-N 0 0 444.509 3.260 50 0 IGAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000025250169 557201030 /nfs/dbraw/zinc/20/10/30/557201030.db2.gz WAGOUUCRRZYYOI-UHFFFAOYSA-N 0 0 441.491 3.128 50 0 IGAARN CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100921217 557202086 /nfs/dbraw/zinc/20/20/86/557202086.db2.gz LWZWYKZPCJSOMC-GOSISDBHSA-N 0 0 444.915 3.470 50 0 IGAARN CCc1ccc(N2C(=O)C[C@H](N(CCCc3ccc(OC)c(OC)c3)C(C)=O)C2=O)cc1 ZINC000100917078 557202091 /nfs/dbraw/zinc/20/20/91/557202091.db2.gz WBBLJHGIVZFBOB-NRFANRHFSA-N 0 0 438.524 3.379 50 0 IGAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCN1CCOCC1 ZINC000025357871 557205964 /nfs/dbraw/zinc/20/59/64/557205964.db2.gz WBMJMAAOMOOYGF-DEOSSOPVSA-N 0 0 434.565 3.446 50 0 IGAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)CC3 ZINC000025452414 557210459 /nfs/dbraw/zinc/21/04/59/557210459.db2.gz RQOJCFOVQJQNTK-UHFFFAOYSA-N 0 0 438.480 3.108 50 0 IGAARN Cc1nc(-c2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169763978 557211457 /nfs/dbraw/zinc/21/14/57/557211457.db2.gz DXHDDDLOUMILPZ-UHFFFAOYSA-N 0 0 436.390 3.042 50 0 IGAARN COc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)c1 ZINC000000803313 557222575 /nfs/dbraw/zinc/22/25/75/557222575.db2.gz AGDGVENLYCDJPV-UHFFFAOYSA-N 0 0 436.533 3.475 50 0 IGAARN CCc1nn2c(nc(COC(=O)c3c(C)nn(Cc4ccc(C)cc4)c3C)cc2=O)s1 ZINC000025714354 557223020 /nfs/dbraw/zinc/22/30/20/557223020.db2.gz QJUKXACSQHUYJM-UHFFFAOYSA-N 0 0 437.525 3.240 50 0 IGAARN Cc1ccc(-c2csc3nc(S[C@H](C)C(=O)N4CCNC4=O)n(C)c(=O)c23)cc1C ZINC000025716798 557223351 /nfs/dbraw/zinc/22/33/51/557223351.db2.gz DGNNDZNFOKOHBS-CYBMUJFWSA-N 0 0 442.566 3.311 50 0 IGAARN COC(=O)CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000097756699 557223724 /nfs/dbraw/zinc/22/37/24/557223724.db2.gz YFZLTYJMJSODTF-HXUWFJFHSA-N 0 0 426.469 3.209 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)C[C@H](C)CC3)s1 ZINC000025767561 557225033 /nfs/dbraw/zinc/22/50/33/557225033.db2.gz PIRPSPDFOGWPJW-BXUZGUMPSA-N 0 0 425.601 3.430 50 0 IGAARN Cc1nc2cc(C(=O)NCCOc3c(C)cccc3C)ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000072301549 557226201 /nfs/dbraw/zinc/22/62/01/557226201.db2.gz FVEGWTJRIDQGCJ-IBGZPJMESA-N 0 0 441.553 3.130 50 0 IGAARN C[C@@H](O)c1ccc2c(c1)OCCOCCOc1ccc([C@H](C)O)cc1OCCOCCO2 ZINC000018029503 557229162 /nfs/dbraw/zinc/22/91/62/557229162.db2.gz UJCJXLPGHNMOIT-HDICACEKSA-N 0 0 448.512 3.055 50 0 IGAARN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cnc21 ZINC000025904575 557230129 /nfs/dbraw/zinc/23/01/29/557230129.db2.gz CICQSBDKCAPXKB-HXUWFJFHSA-N 0 0 446.532 3.344 50 0 IGAARN CCOc1ccc(CC(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 ZINC000011693859 557232628 /nfs/dbraw/zinc/23/26/28/557232628.db2.gz MCSGEHRXFJECGH-UHFFFAOYSA-N 0 0 435.459 3.067 50 0 IGAARN C[C@H](NC(=O)CNC(=O)c1ccccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000018048703 557233616 /nfs/dbraw/zinc/23/36/16/557233616.db2.gz CFFYYPIFALYADB-AWEZNQCLSA-N 0 0 427.302 3.242 50 0 IGAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(c3nnc4ccccn43)CC2)nc1 ZINC000018060828 557233831 /nfs/dbraw/zinc/23/38/31/557233831.db2.gz MHVYRFSYEFWZIL-UHFFFAOYSA-N 0 0 442.589 3.316 50 0 IGAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000026126412 557235566 /nfs/dbraw/zinc/23/55/66/557235566.db2.gz OIQOHHGQNUDMRP-UHFFFAOYSA-N 0 0 435.553 3.467 50 0 IGAARN O=C(CSc1ccccc1C(=O)NCCNC(=O)c1ccco1)N1CCc2ccccc21 ZINC000026140841 557236449 /nfs/dbraw/zinc/23/64/49/557236449.db2.gz YHMSZFNIEKQMML-UHFFFAOYSA-N 0 0 449.532 3.121 50 0 IGAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000583649086 557240037 /nfs/dbraw/zinc/24/00/37/557240037.db2.gz VUQSYKHTEVCKHD-XMMPIXPASA-N 0 0 448.567 3.450 50 0 IGAARN O=C(CN1CCC(O)CC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026372231 557240213 /nfs/dbraw/zinc/24/02/13/557240213.db2.gz FLGAGRAXKHVZCJ-HXUWFJFHSA-N 0 0 432.446 3.244 50 0 IGAARN COc1ccccc1NC(=O)NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 ZINC000583649479 557240321 /nfs/dbraw/zinc/24/03/21/557240321.db2.gz PAMFATHDHNIPQO-OAHLLOKOSA-N 0 0 439.447 3.055 50 0 IGAARN O=C(CNC(=O)c1ccc(Br)o1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000026431716 557241053 /nfs/dbraw/zinc/24/10/53/557241053.db2.gz FBNAPGYXRCDRNF-UHFFFAOYSA-N 0 0 444.665 3.330 50 0 IGAARN CCCCn1nnnc1COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000026458077 557241602 /nfs/dbraw/zinc/24/16/02/557241602.db2.gz NZDWEQOWYOPNFZ-CYBMUJFWSA-N 0 0 429.424 3.038 50 0 IGAARN CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000026624069 557245871 /nfs/dbraw/zinc/24/58/71/557245871.db2.gz QVHCWWWMJYMZJB-LBPRGKRZSA-N 0 0 437.418 3.496 50 0 IGAARN COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2cc(C)n(CCc3c[nH]cn3)c(=O)c21 ZINC000604404253 557246988 /nfs/dbraw/zinc/24/69/88/557246988.db2.gz MFKNHUINSPATLR-KRWDZBQOSA-N 0 0 430.464 3.471 50 0 IGAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccncc1 ZINC000604404951 557248217 /nfs/dbraw/zinc/24/82/17/557248217.db2.gz KCDONFJQJNJSHM-DEOSSOPVSA-N 0 0 440.503 3.336 50 0 IGAARN O=C(CCCNC(=O)c1ccco1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000026790940 557249162 /nfs/dbraw/zinc/24/91/62/557249162.db2.gz YILLKLVRCKWXOD-UHFFFAOYSA-N 0 0 431.290 3.436 50 0 IGAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccccc3)[C@@H]21 ZINC000604419395 557251583 /nfs/dbraw/zinc/25/15/83/557251583.db2.gz JFWWYNYSSDLQMB-HSZRJFAPSA-N 0 0 443.459 3.457 50 0 IGAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000018215913 557252645 /nfs/dbraw/zinc/25/26/45/557252645.db2.gz SGWLVHTYUKUVCM-NSHDSACASA-N 0 0 444.816 3.474 50 0 IGAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NCc1cccs1 ZINC000101160950 557257515 /nfs/dbraw/zinc/25/75/15/557257515.db2.gz HDDKPMCQTLKWBW-UHFFFAOYSA-N 0 0 430.555 3.037 50 0 IGAARN C[C@@H]1Cc2ccccc2N1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000027269068 557259448 /nfs/dbraw/zinc/25/94/48/557259448.db2.gz WDVDNSDEGLIJRR-GOSISDBHSA-N 0 0 439.581 3.202 50 0 IGAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000027405334 557261920 /nfs/dbraw/zinc/26/19/20/557261920.db2.gz XYEQWOSLTSFUQU-UHFFFAOYSA-N 0 0 444.369 3.074 50 0 IGAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCC2 ZINC000027664605 557270616 /nfs/dbraw/zinc/27/06/16/557270616.db2.gz SBRNYSFOILMWTD-ZDUSSCGKSA-N 0 0 438.958 3.059 50 0 IGAARN CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000027743648 557272345 /nfs/dbraw/zinc/27/23/45/557272345.db2.gz BLLAXCLZQGLJPV-UHFFFAOYSA-N 0 0 425.091 3.202 50 0 IGAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100810129 557276432 /nfs/dbraw/zinc/27/64/32/557276432.db2.gz AMOGAEUADYNWRW-QRVBRYPASA-N 0 0 431.414 3.250 50 0 IGAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100813635 557276441 /nfs/dbraw/zinc/27/64/41/557276441.db2.gz FYBURPFRPOJVPT-QRVBRYPASA-N 0 0 426.314 3.293 50 0 IGAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c1)C(=O)N2 ZINC000100985821 557280804 /nfs/dbraw/zinc/28/08/04/557280804.db2.gz LGVKFEIWERXAHA-ATLLOTDBSA-N 0 0 432.476 3.087 50 0 IGAARN COc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628921 557291662 /nfs/dbraw/zinc/29/16/62/557291662.db2.gz PUKSCKWMYHNQMF-BGYRXZFFSA-N 0 0 442.537 3.480 50 0 IGAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccccc1 ZINC000101628770 557291671 /nfs/dbraw/zinc/29/16/71/557291671.db2.gz OAIUCNUMPMFEIX-PMACEKPBSA-N 0 0 426.538 3.149 50 0 IGAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000011665786 557292827 /nfs/dbraw/zinc/29/28/27/557292827.db2.gz YVGKGYJXESIIPX-UHFFFAOYSA-N 0 0 427.512 3.098 50 0 IGAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101715539 557294505 /nfs/dbraw/zinc/29/45/05/557294505.db2.gz DASYZRBBXJODDA-HXUWFJFHSA-N 0 0 445.516 3.213 50 0 IGAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101715533 557294566 /nfs/dbraw/zinc/29/45/66/557294566.db2.gz DASYZRBBXJODDA-FQEVSTJZSA-N 0 0 445.516 3.213 50 0 IGAARN O=c1cc(CN2CCN(c3ccccc3)CC2)nc2[nH]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795851 557298360 /nfs/dbraw/zinc/29/83/60/557298360.db2.gz GJBRSPCGHHYXLM-UHFFFAOYSA-N 0 0 449.946 3.005 50 0 IGAARN COc1ccc(CNc2nn3c(nc(CNc4c(C)cccc4C)cc3=O)[nH]2)cc1OC ZINC000101796766 557298676 /nfs/dbraw/zinc/29/86/76/557298676.db2.gz YGNJDLZLDMOZMP-UHFFFAOYSA-N 0 0 434.500 3.276 50 0 IGAARN O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014075819 557299126 /nfs/dbraw/zinc/29/91/26/557299126.db2.gz ZRHFXBAFONXGRG-BQYQJAHWSA-N 0 0 447.513 3.108 50 0 IGAARN Cc1cc2oc(=O)cc(COC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2cc1Cl ZINC000102127837 557312862 /nfs/dbraw/zinc/31/28/62/557312862.db2.gz XEIBVMCVAGEXHA-GASCZTMLSA-N 0 0 431.872 3.363 50 0 IGAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000102128848 557313129 /nfs/dbraw/zinc/31/31/29/557313129.db2.gz PNUSBBYADXYGLB-SFTDATJTSA-N 0 0 432.476 3.323 50 0 IGAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032904210 557317102 /nfs/dbraw/zinc/31/71/02/557317102.db2.gz LBFZYXHVFWQQDT-LJQANCHMSA-N 0 0 430.530 3.473 50 0 IGAARN COc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000102288443 557317452 /nfs/dbraw/zinc/31/74/52/557317452.db2.gz GQKGRHOMOASTDK-PMACEKPBSA-N 0 0 442.537 3.480 50 0 IGAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCc3ccc(C)o3)c1)c2=O ZINC000032959319 557319167 /nfs/dbraw/zinc/31/91/67/557319167.db2.gz DIOVKXFFLIROGP-UHFFFAOYSA-N 0 0 449.488 3.292 50 0 IGAARN CN(C(=O)CN1CCN(C(=O)C(C)(C)C)CC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000072309088 557329360 /nfs/dbraw/zinc/32/93/60/557329360.db2.gz 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CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000023331908 557343877 /nfs/dbraw/zinc/34/38/77/557343877.db2.gz LOGDZZZWDOLILT-UHFFFAOYSA-N 0 0 448.523 3.062 50 0 IGAARN CNC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c2ccccc2O1 ZINC000102535776 557345146 /nfs/dbraw/zinc/34/51/46/557345146.db2.gz RHLMGYMKCPGLQI-SIKLNZKXSA-N 0 0 439.512 3.106 50 0 IGAARN Cc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)c1 ZINC000023333447 557347375 /nfs/dbraw/zinc/34/73/75/557347375.db2.gz CUXIHTBRCXRLSE-UHFFFAOYSA-N 0 0 440.525 3.055 50 0 IGAARN CCC(N[C@H](C)CCC[NH+](CC)CC)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000100190836 557363864 /nfs/dbraw/zinc/36/38/64/557363864.db2.gz DSMVVDSJUBKSED-DVSFIDLUSA-N 0 0 430.549 3.042 50 0 IGAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000023697566 557371719 /nfs/dbraw/zinc/37/17/19/557371719.db2.gz OJTFTIJODKJTSK-UHFFFAOYSA-N 0 0 438.915 3.243 50 0 IGAARN O=C(CSc1nnnn1C1CCCC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023873299 557377465 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NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000015617744 568800103 /nfs/dbraw/zinc/80/01/03/568800103.db2.gz RAHIAWMHMYXISL-UHFFFAOYSA-N 0 0 438.130 3.333 50 0 IGAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000015680413 568806021 /nfs/dbraw/zinc/80/60/21/568806021.db2.gz ROFHMCDKTKZNLG-LSDHHAIUSA-N 0 0 430.526 3.184 50 0 IGAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000015680734 568806489 /nfs/dbraw/zinc/80/64/89/568806489.db2.gz OSKVRXTXAQBKNT-UHFFFAOYSA-N 0 0 429.274 3.030 50 0 IGAARN COc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1OC ZINC000015681704 568806625 /nfs/dbraw/zinc/80/66/25/568806625.db2.gz JTBHSPWQHZZRDD-UHFFFAOYSA-N 0 0 425.460 3.391 50 0 IGAARN C[C@@H](CNS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1)c1ccccc1 ZINC000015720767 568811634 /nfs/dbraw/zinc/81/16/34/568811634.db2.gz FSAKBIFFVBOKEW-AWEZNQCLSA-N 0 0 441.534 3.021 50 0 IGAARN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2)cc1OC ZINC000015726306 568812314 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3.330 50 0 IGAARN O=C1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)Nc2ccccc21 ZINC000015828592 568841295 /nfs/dbraw/zinc/84/12/95/568841295.db2.gz IESKOUYKLSVHLK-UHFFFAOYSA-N 0 0 425.432 3.042 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc(N3CCOCC3)c3ccccc32)c(OC)c1 ZINC000015829823 568841475 /nfs/dbraw/zinc/84/14/75/568841475.db2.gz IEIACUSJEFMZJN-UHFFFAOYSA-N 0 0 440.525 3.214 50 0 IGAARN Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3nnc(C(F)(F)F)s3)CC2)c(C)c1 ZINC000015831686 568841714 /nfs/dbraw/zinc/84/17/14/568841714.db2.gz IBKRJUMGTWNYEA-UHFFFAOYSA-N 0 0 441.479 3.241 50 0 IGAARN CC(=O)c1cccc(NC(=O)Cn2c3nc(-c4ccc(Cl)cc4)nn3c(=O)cc2C)c1 ZINC000015858734 568846581 /nfs/dbraw/zinc/84/65/81/568846581.db2.gz CBFXVJKIKRXAMP-UHFFFAOYSA-N 0 0 435.871 3.361 50 0 IGAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccc(C)cc1 ZINC000015861063 568847996 /nfs/dbraw/zinc/84/79/96/568847996.db2.gz IBONCVIGEBMVIT-UHFFFAOYSA-N 0 0 440.569 3.199 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000015863951 568849523 /nfs/dbraw/zinc/84/95/23/568849523.db2.gz UWNVAZWVZYBUMM-SFHVURJKSA-N 0 0 444.513 3.241 50 0 IGAARN CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1 ZINC000015865777 568850528 /nfs/dbraw/zinc/85/05/28/568850528.db2.gz OLSBQKVGMFNRJM-IBGZPJMESA-N 0 0 428.535 3.479 50 0 IGAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000015881851 568855673 /nfs/dbraw/zinc/85/56/73/568855673.db2.gz XNJSQFSBFVIUMH-UHFFFAOYSA-N 0 0 429.567 3.117 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000015881627 568855900 /nfs/dbraw/zinc/85/59/00/568855900.db2.gz LFHZMYACYFWAPJ-UHFFFAOYSA-N 0 0 443.613 3.029 50 0 IGAARN CCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1OCC ZINC000015882380 568856443 /nfs/dbraw/zinc/85/64/43/568856443.db2.gz XXCVJWXIAKROPR-UHFFFAOYSA-N 0 0 439.560 3.227 50 0 IGAARN COc1cc(C(=O)OCC(=O)NC(=O)CCSc2ccccc2)ccc1OC(F)F ZINC000015913513 568858726 /nfs/dbraw/zinc/85/87/26/568858726.db2.gz RLQPMRKPAZXLMA-UHFFFAOYSA-N 0 0 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COc1cc(/C=C/C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000032859683 568895895 /nfs/dbraw/zinc/89/58/95/568895895.db2.gz ARWFPLQJBDAPLW-VQHVLOKHSA-N 0 0 442.468 3.234 50 0 IGAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1 ZINC000013000278 568898141 /nfs/dbraw/zinc/89/81/41/568898141.db2.gz RDPMDARJEFJLQR-ZDUSSCGKSA-N 0 0 432.860 3.135 50 0 IGAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013002187 568898360 /nfs/dbraw/zinc/89/83/60/568898360.db2.gz SFSDAZHEBWUMTO-OAHLLOKOSA-N 0 0 441.793 3.124 50 0 IGAARN COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000013008371 568899568 /nfs/dbraw/zinc/89/95/68/568899568.db2.gz VESYRBPORDFLIC-UHFFFAOYSA-N 0 0 428.828 3.425 50 0 IGAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000013008720 568899744 /nfs/dbraw/zinc/89/97/44/568899744.db2.gz AMZKOEHNXKCGFS-MAUKXSAKSA-N 0 0 431.286 3.219 50 0 IGAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000013010806 568900089 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568935826 /nfs/dbraw/zinc/93/58/26/568935826.db2.gz GWSOEXLCUORTGY-CYBMUJFWSA-N 0 0 439.472 3.147 50 0 IGAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000016681926 568937828 /nfs/dbraw/zinc/93/78/28/568937828.db2.gz BRKMKYQMXLUTLE-UHFFFAOYSA-N 0 0 427.482 3.152 50 0 IGAARN Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c(=O)n(-c3ccccc3)c2n1 ZINC000064604514 568938899 /nfs/dbraw/zinc/93/88/99/568938899.db2.gz QHKXNVNTPLNDSA-SFHVURJKSA-N 0 0 428.492 3.042 50 0 IGAARN COc1cccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)NC(C)C)C2)nc3=O)c1 ZINC000064611704 568941601 /nfs/dbraw/zinc/94/16/01/568941601.db2.gz TYHNLMYUFXYVRT-HNNXBMFYSA-N 0 0 426.542 3.401 50 0 IGAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2cc(C)c(C)cc2N1 ZINC000064661189 568942483 /nfs/dbraw/zinc/94/24/83/568942483.db2.gz FADUGOFBLIKISS-UHFFFAOYSA-N 0 0 429.423 3.426 50 0 IGAARN CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(CC2CC2)C1=O ZINC000036029819 568943546 /nfs/dbraw/zinc/94/35/46/568943546.db2.gz 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CCOC(=O)C1=C(COc2ccc(F)cc2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036083707 568947447 /nfs/dbraw/zinc/94/74/47/568947447.db2.gz HSHNDWFJPJHCMF-OAQYLSRUSA-N 0 0 444.459 3.435 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccc(F)cc3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085529 568948084 /nfs/dbraw/zinc/94/80/84/568948084.db2.gz SYKZLNLWOVDCQB-UHFFFAOYSA-N 0 0 448.429 3.281 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)Nc2cccc(F)c2)nn(-c2ccccc2)c1=O ZINC000036086072 568948444 /nfs/dbraw/zinc/94/84/44/568948444.db2.gz PGKUYPVBMOSEDU-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN O=C(NCc1ccccc1)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2)c1=O ZINC000036087341 568948753 /nfs/dbraw/zinc/94/87/53/568948753.db2.gz VLHTYVULEJWGKS-UHFFFAOYSA-N 0 0 446.894 3.026 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)NCC2CC2)nn(-c2ccc(C(C)C)cc2)c1=O ZINC000036088054 568949518 /nfs/dbraw/zinc/94/95/18/568949518.db2.gz HHDNOIJGSWGYRX-UHFFFAOYSA-N 0 0 432.524 3.014 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)NCC3CC3)nn(-c3ccc(C(C)C)cc3)c2=O)c1 ZINC000036087974 568949521 /nfs/dbraw/zinc/94/95/21/568949521.db2.gz KSPMCYSKDCGURK-UHFFFAOYSA-N 0 0 432.524 3.014 50 0 IGAARN Cc1cc(C)cc(-n2nc(C(=O)Nc3cccc(F)c3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093950 568950775 /nfs/dbraw/zinc/95/07/75/568950775.db2.gz REJNNHNPNRJCHG-UHFFFAOYSA-N 0 0 444.466 3.451 50 0 IGAARN CCNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000064759459 568951895 /nfs/dbraw/zinc/95/18/95/568951895.db2.gz XOBCPELFGQRDAP-UHFFFAOYSA-N 0 0 428.851 3.091 50 0 IGAARN COc1ccc(OCC(=O)N2CCC(n3nc(-c4ccsc4)ccc3=O)CC2)cc1 ZINC000064761384 568952222 /nfs/dbraw/zinc/95/22/22/568952222.db2.gz GJHCLXCJNBDHFZ-UHFFFAOYSA-N 0 0 425.510 3.223 50 0 IGAARN COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(F)c(Cl)c3)CC2=O)cc1OC ZINC000064761460 568952510 /nfs/dbraw/zinc/95/25/10/568952510.db2.gz LHJFJHSBXCEITG-INIZCTEOSA-N 0 0 434.895 3.204 50 0 IGAARN Cc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)ccc1N1CCNC1=O ZINC000064762840 568952892 /nfs/dbraw/zinc/95/28/92/568952892.db2.gz YMASESIBBOIRBS-UHFFFAOYSA-N 0 0 432.274 3.311 50 0 IGAARN CC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776121 568955115 /nfs/dbraw/zinc/95/51/15/568955115.db2.gz CWFCGYWNQNMUDD-OAQYLSRUSA-N 0 0 447.514 3.327 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000036119679 568956766 /nfs/dbraw/zinc/95/67/66/568956766.db2.gz FDXODQYFEYFSRX-HXUWFJFHSA-N 0 0 428.554 3.138 50 0 IGAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(C)=O ZINC000036120487 568957465 /nfs/dbraw/zinc/95/74/65/568957465.db2.gz LDTYLSFKQCFFAE-IBGZPJMESA-N 0 0 434.533 3.277 50 0 IGAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(C)=O ZINC000036120488 568957511 /nfs/dbraw/zinc/95/75/11/568957511.db2.gz LDTYLSFKQCFFAE-LJQANCHMSA-N 0 0 434.533 3.277 50 0 IGAARN Cc1cc(Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791612 568959065 /nfs/dbraw/zinc/95/90/65/568959065.db2.gz HGQBUXFYLLOWLG-IBGZPJMESA-N 0 0 429.484 3.147 50 0 IGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)NCc2cccc(OC)c2)c1C ZINC000064792344 568959303 /nfs/dbraw/zinc/95/93/03/568959303.db2.gz JNVBIWFHYJLNDA-UHFFFAOYSA-N 0 0 445.523 3.144 50 0 IGAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc2N1C(=O)C1CC1 ZINC000036147230 568962379 /nfs/dbraw/zinc/96/23/79/568962379.db2.gz NFBSRIQWUBPVDT-KRWDZBQOSA-N 0 0 431.602 3.013 50 0 IGAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccccc1 ZINC000036159117 568966936 /nfs/dbraw/zinc/96/69/36/568966936.db2.gz YVRCPRLDOCZQBU-QGZVFWFLSA-N 0 0 427.570 3.263 50 0 IGAARN CSc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn32)cc1 ZINC000064836655 568969375 /nfs/dbraw/zinc/96/93/75/568969375.db2.gz HYNLNWPSXJMIGT-UHFFFAOYSA-N 0 0 429.571 3.183 50 0 IGAARN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064837115 568969546 /nfs/dbraw/zinc/96/95/46/568969546.db2.gz XSQYTNYTNWZBCU-UHFFFAOYSA-N 0 0 439.537 3.089 50 0 IGAARN CCOc1cc(CNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)ccc1OC ZINC000064839610 568969640 /nfs/dbraw/zinc/96/96/40/568969640.db2.gz XCXLZPQVTITYSI-OAHLLOKOSA-N 0 0 434.496 3.173 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CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCCOC)c1 ZINC000036219122 568977596 /nfs/dbraw/zinc/97/75/96/568977596.db2.gz JGJHSEHVYHPGOR-VXKWHMMOSA-N 0 0 439.512 3.168 50 0 IGAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccco4)cc3)n2)cc1 ZINC000064873345 568978286 /nfs/dbraw/zinc/97/82/86/568978286.db2.gz BTXYUXRQZAMASF-UHFFFAOYSA-N 0 0 445.475 3.386 50 0 IGAARN COc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000064889095 568980132 /nfs/dbraw/zinc/98/01/32/568980132.db2.gz HATJEFQTWVMCIB-UHFFFAOYSA-N 0 0 442.541 3.248 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889185 568980205 /nfs/dbraw/zinc/98/02/05/568980205.db2.gz ODGLOVXHOBWPBA-UHFFFAOYSA-N 0 0 447.948 3.206 50 0 IGAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)Nc2ccc(F)cc2F)n1 ZINC000064892086 568982928 /nfs/dbraw/zinc/98/29/28/568982928.db2.gz CBQHELJGICDXSV-CQSZACIVSA-N 0 0 438.434 3.142 50 0 IGAARN COc1ccccc1CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)C)CC1 ZINC000036255690 568985060 /nfs/dbraw/zinc/98/50/60/568985060.db2.gz ZKFFCUBQIYYLHO-DEOSSOPVSA-N 0 0 429.605 3.103 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)cc1 ZINC000064922837 568986075 /nfs/dbraw/zinc/98/60/75/568986075.db2.gz XXGBHLSLMJLBFQ-UHFFFAOYSA-N 0 0 447.557 3.183 50 0 IGAARN CC(=O)c1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064927534 568987085 /nfs/dbraw/zinc/98/70/85/568987085.db2.gz CHXZBXDACOZQPK-UHFFFAOYSA-N 0 0 434.471 3.429 50 0 IGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1cccc2ccccc21 ZINC000006789924 568987920 /nfs/dbraw/zinc/98/79/20/568987920.db2.gz NKYWYLDBKVLGAL-FQEVSTJZSA-N 0 0 425.554 3.214 50 0 IGAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)Cc1ccccc1 ZINC000169679108 568990175 /nfs/dbraw/zinc/99/01/75/568990175.db2.gz WBQBVLFRPTUSMO-AEFFLSMTSA-N 0 0 441.597 3.161 50 0 IGAARN COc1ccc(S(=O)(=O)c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000064942736 568992239 /nfs/dbraw/zinc/99/22/39/568992239.db2.gz GSSFUYFPKZRWIS-UHFFFAOYSA-N 0 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ZINC000036309103 568995892 /nfs/dbraw/zinc/99/58/92/568995892.db2.gz UZMPTRFNNKSFLX-UGKGYDQZSA-N 0 0 446.613 3.281 50 0 IGAARN CC(C)NC(=O)N1CCN([C@H](C(=O)N[C@@H](C)CCc2ccccc2)C2CCCC2)CC1 ZINC000036310577 568996652 /nfs/dbraw/zinc/99/66/52/568996652.db2.gz QNCRDDMHWNPHED-REWPJTCUSA-N 0 0 428.621 3.418 50 0 IGAARN COc1ccc(NC(=O)N2CCN([C@@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1 ZINC000036310372 568996680 /nfs/dbraw/zinc/99/66/80/568996680.db2.gz VPNHIERQGBBAAF-JOCHJYFZSA-N 0 0 440.544 3.313 50 0 IGAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CC(C)C)CC2)cc1OC ZINC000036311841 568997384 /nfs/dbraw/zinc/99/73/84/568997384.db2.gz WQQSTUKVMPPFSQ-HSZRJFAPSA-N 0 0 431.577 3.391 50 0 IGAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C ZINC000064977098 569077488 /nfs/dbraw/zinc/07/74/88/569077488.db2.gz ZPOBPFIMHRQHOM-UHFFFAOYSA-N 0 0 443.569 3.367 50 0 IGAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000036340211 569078791 /nfs/dbraw/zinc/07/87/91/569078791.db2.gz 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COc1cc2c(cc1CNC(=O)CSc1nnc(C)n1-c1ccccc1)OCCCO2 ZINC000064987062 569082603 /nfs/dbraw/zinc/08/26/03/569082603.db2.gz MMEVIEZSUMDMNX-UHFFFAOYSA-N 0 0 440.525 3.154 50 0 IGAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)o2)cc1 ZINC000064988135 569082901 /nfs/dbraw/zinc/08/29/01/569082901.db2.gz YEQTWRPTGALPCY-UHFFFAOYSA-N 0 0 448.932 3.002 50 0 IGAARN O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000036354068 569084050 /nfs/dbraw/zinc/08/40/50/569084050.db2.gz HXAYDJPOLHEYJO-RMKNXTFCSA-N 0 0 434.565 3.014 50 0 IGAARN CSc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2ncn(C)c3=O)cc1 ZINC000064991924 569084328 /nfs/dbraw/zinc/08/43/28/569084328.db2.gz COJQWZKWXAEMMP-UHFFFAOYSA-N 0 0 439.928 3.425 50 0 IGAARN CCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2ncn(C)c3=O)cc1 ZINC000064991925 569084369 /nfs/dbraw/zinc/08/43/69/569084369.db2.gz LSWAZADZKZKBNO-UHFFFAOYSA-N 0 0 437.887 3.101 50 0 IGAARN O=C(Nc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000064991569 569084599 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C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235659 569357287 /nfs/dbraw/zinc/35/72/87/569357287.db2.gz ANVOZVAEHONJAH-OGWOLHLISA-N 0 0 444.582 3.406 50 0 IGAARN CCOC(CNC(=O)C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)OCC ZINC000020241542 569358019 /nfs/dbraw/zinc/35/80/19/569358019.db2.gz ZYIZSRKKQBVJQB-NDEPHWFRSA-N 0 0 428.938 3.067 50 0 IGAARN CC(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281249 569358723 /nfs/dbraw/zinc/35/87/23/569358723.db2.gz JWKVFHPAPCZUTI-SFHVURJKSA-N 0 0 444.582 3.282 50 0 IGAARN CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000020288146 569359371 /nfs/dbraw/zinc/35/93/71/569359371.db2.gz KJUBAJCXUXYJIM-HXOBKFHXSA-N 0 0 431.602 3.191 50 0 IGAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccco2)N1CCCN1CCOCC1 ZINC000020308801 569359560 /nfs/dbraw/zinc/35/95/60/569359560.db2.gz MMCDEZRQUVFUGC-LJQANCHMSA-N 0 0 428.872 3.307 50 0 IGAARN CSCC[C@H](CO)NC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 ZINC000080357309 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CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000009499233 556295558 /nfs/dbraw/zinc/29/55/58/556295558.db2.gz OCMOXJULXFUBPD-UHFFFAOYSA-N 0 0 426.498 3.394 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000009525869 556296363 /nfs/dbraw/zinc/29/63/63/556296363.db2.gz YNDZDPLWLZDULR-GOSISDBHSA-N 0 0 438.480 3.015 50 0 IGAARN Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000013733645 556296836 /nfs/dbraw/zinc/29/68/36/556296836.db2.gz LNKIYIOZSJVHHH-LJQANCHMSA-N 0 0 442.903 3.039 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032741772 556303707 /nfs/dbraw/zinc/30/37/07/556303707.db2.gz MCCKGEAAVYZLGN-JASOLATCSA-N 0 0 449.551 3.160 50 0 IGAARN CCS(=O)(=O)N1CCC(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)CC1 ZINC000032744797 556305150 /nfs/dbraw/zinc/30/51/50/556305150.db2.gz FUJGGIOGMBOLMY-UHFFFAOYSA-N 0 0 436.534 3.202 50 0 IGAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)Cc3ccco3)C2=O)cc1C ZINC000032736682 556306540 /nfs/dbraw/zinc/30/65/40/556306540.db2.gz UXPUAFVVLLYRNQ-VWLOTQADSA-N 0 0 431.492 3.350 50 0 IGAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)cc1C ZINC000009830610 556311432 /nfs/dbraw/zinc/31/14/32/556311432.db2.gz PHFSGYCFMFMBHN-UHFFFAOYSA-N 0 0 443.525 3.025 50 0 IGAARN O[C@@H](COC[C@@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000032751057 556313052 /nfs/dbraw/zinc/31/30/52/556313052.db2.gz PYMIDKUGDTUOQI-OALUTQOASA-N 0 0 430.505 3.117 50 0 IGAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032745106 556314448 /nfs/dbraw/zinc/31/44/48/556314448.db2.gz ZOFQDKLQIJTLHJ-UHFFFAOYSA-N 0 0 438.311 3.090 50 0 IGAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(NC(=O)[C@H]2CCCO2)c1 ZINC000013843236 556318152 /nfs/dbraw/zinc/31/81/52/556318152.db2.gz GUWCMSUPURJSQL-LEWJYISDSA-N 0 0 437.496 3.482 50 0 IGAARN CC(C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(C(C)(C)C)cc1 ZINC000032759304 556319077 /nfs/dbraw/zinc/31/90/77/556319077.db2.gz 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COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 ZINC000013944692 556342039 /nfs/dbraw/zinc/34/20/39/556342039.db2.gz IFRAJURCRZNBKN-HNNXBMFYSA-N 0 0 441.557 3.256 50 0 IGAARN CC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011702744 556347335 /nfs/dbraw/zinc/34/73/35/556347335.db2.gz VGKLKBUHVJQBSS-JOCHJYFZSA-N 0 0 431.540 3.437 50 0 IGAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(CC)o2)C1 ZINC000011709490 556347554 /nfs/dbraw/zinc/34/75/54/556347554.db2.gz SSDYNEIMCUYPSF-QFIPXVFZSA-N 0 0 431.558 3.447 50 0 IGAARN CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)NC3CCCCCC3)c2n1C ZINC000011789721 556354910 /nfs/dbraw/zinc/35/49/10/556354910.db2.gz YBTAMLAJSYXVGO-UHFFFAOYSA-N 0 0 449.621 3.443 50 0 IGAARN CC(C)CC[C@]1(C2CCN(C(=O)CC3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O ZINC000011791359 556356056 /nfs/dbraw/zinc/35/60/56/556356056.db2.gz VVCYSAGGDZWRHS-XMMPIXPASA-N 0 0 426.561 3.347 50 0 IGAARN CN(Cc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022933210 556357873 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NS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl ZINC000015355260 556522975 /nfs/dbraw/zinc/52/29/75/556522975.db2.gz HVNRQTTUJDOUOA-UHFFFAOYSA-N 0 0 428.253 3.048 50 0 IGAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000015360718 556523381 /nfs/dbraw/zinc/52/33/81/556523381.db2.gz DDQXMKSCKDUGJG-UHFFFAOYSA-N 0 0 427.353 3.435 50 0 IGAARN C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000015417452 556526868 /nfs/dbraw/zinc/52/68/68/556526868.db2.gz UTTMZUKJCDTZPP-SFHVURJKSA-N 0 0 444.601 3.457 50 0 IGAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013591092 556529386 /nfs/dbraw/zinc/52/93/86/556529386.db2.gz AWKHIWWGNOKKDK-RCCKNPSSSA-N 0 0 435.505 3.052 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000013591016 556529446 /nfs/dbraw/zinc/52/94/46/556529446.db2.gz SLXLNCGIXBHXDF-YMFQVDJJSA-N 0 0 436.508 3.246 50 0 IGAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000015525326 556533103 /nfs/dbraw/zinc/53/31/03/556533103.db2.gz WHPVUQGOXMLECP-UHFFFAOYSA-N 0 0 449.504 3.235 50 0 IGAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000013625064 556536674 /nfs/dbraw/zinc/53/66/74/556536674.db2.gz UUEVSSQMGRMSPS-GFCCVEGCSA-N 0 0 436.946 3.384 50 0 IGAARN CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000013624779 556536775 /nfs/dbraw/zinc/53/67/75/556536775.db2.gz ZWHMNIHKRPGVRW-FQEVSTJZSA-N 0 0 438.915 3.093 50 0 IGAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3Cl)n2N)c(OC)c1 ZINC000032719449 556537284 /nfs/dbraw/zinc/53/72/84/556537284.db2.gz ODNGSYRIFKRVTO-LBPRGKRZSA-N 0 0 447.948 3.299 50 0 IGAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccoc3)sc2=N1 ZINC000032476153 556538116 /nfs/dbraw/zinc/53/81/16/556538116.db2.gz LOXHYEMNCBBPFA-FGGAIWKESA-N 0 0 441.512 3.467 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)C1 ZINC000015614962 556538344 /nfs/dbraw/zinc/53/83/44/556538344.db2.gz FHYWRFKEVVXNAU-IBGZPJMESA-N 0 0 444.553 3.235 50 0 IGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000032903527 556539945 /nfs/dbraw/zinc/53/99/45/556539945.db2.gz XFDLJXDOMUDCNR-GOSISDBHSA-N 0 0 435.484 3.421 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000015659549 556541571 /nfs/dbraw/zinc/54/15/71/556541571.db2.gz NOQGDMNLWXQGAW-VOSMRYOYSA-N 0 0 448.544 3.115 50 0 IGAARN Cc1ccn(C[C@H](C)CNC(=O)c2nc(Cn3c4ccccc4nc3C(F)(F)F)no2)n1 ZINC000013640610 556542130 /nfs/dbraw/zinc/54/21/30/556542130.db2.gz JOBWVIVBTVTRGX-GFCCVEGCSA-N 0 0 447.421 3.057 50 0 IGAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904375 556543757 /nfs/dbraw/zinc/54/37/57/556543757.db2.gz ZSWVIJGUHWOIBQ-KRWDZBQOSA-N 0 0 425.920 3.299 50 0 IGAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)cc1C ZINC000015725704 556547158 /nfs/dbraw/zinc/54/71/58/556547158.db2.gz JQUZCSXNYHGBIS-UHFFFAOYSA-N 0 0 425.913 3.097 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000032721646 556547171 /nfs/dbraw/zinc/54/71/71/556547171.db2.gz LZZFRHVERIAZRT-UHFFFAOYSA-N 0 0 440.415 3.363 50 0 IGAARN CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000072303300 556547813 /nfs/dbraw/zinc/54/78/13/556547813.db2.gz HTCXTMUKEZEYGK-DBXWQHBBSA-N 0 0 434.565 3.173 50 0 IGAARN CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000072304936 556549614 /nfs/dbraw/zinc/54/96/14/556549614.db2.gz CHELWMMHSHFOPI-GOSISDBHSA-N 0 0 433.480 3.465 50 0 IGAARN O=c1/c(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)sc2nc3ccccc3n12 ZINC000015769513 556549951 /nfs/dbraw/zinc/54/99/51/556549951.db2.gz HPEZOSFBXVGHEU-ZHZULCJRSA-N 0 0 434.498 3.225 50 0 IGAARN Cc1cccc(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccccc4N3)C[C@@H]2C)c1 ZINC000033250004 556556728 /nfs/dbraw/zinc/55/67/28/556556728.db2.gz XHKNSOKUNNGFIF-KRWDZBQOSA-N 0 0 426.542 3.025 50 0 IGAARN COc1ccccc1CNC(=O)CCn1cnc2onc(-c3ccccc3Cl)c2c1=O ZINC000033250016 556556764 /nfs/dbraw/zinc/55/67/64/556556764.db2.gz PDTGRUDHZORZFF-UHFFFAOYSA-N 0 0 438.871 3.420 50 0 IGAARN COc1ccc(CNC(=O)CCn2cnc3onc(-c4cc(F)cc(F)c4)c3c2=O)cc1 ZINC000033250136 556556953 /nfs/dbraw/zinc/55/69/53/556556953.db2.gz OLASUBBLWCLNNA-UHFFFAOYSA-N 0 0 440.406 3.045 50 0 IGAARN COc1cc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC(C)C ZINC000015851708 556557688 /nfs/dbraw/zinc/55/76/88/556557688.db2.gz QEYDMXKKRDVWEI-SFHVURJKSA-N 0 0 426.513 3.377 50 0 IGAARN COCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274625 556558775 /nfs/dbraw/zinc/55/87/75/556558775.db2.gz XHKMLENISPBIKF-UHFFFAOYSA-N 0 0 430.570 3.480 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1 ZINC000033274781 556559116 /nfs/dbraw/zinc/55/91/16/556559116.db2.gz MLZPIHHOZMSRET-UHFFFAOYSA-N 0 0 429.542 3.250 50 0 IGAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(NC(N)=O)CC1 ZINC000072306320 556559924 /nfs/dbraw/zinc/55/99/24/556559924.db2.gz YEXWLLIRMPRQQG-UHFFFAOYSA-N 0 0 438.912 3.374 50 0 IGAARN NC(=O)c1ccc(NC(=O)CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000071284198 556559994 /nfs/dbraw/zinc/55/99/94/556559994.db2.gz SEYOJGLFHZXQPP-UHFFFAOYSA-N 0 0 433.512 3.177 50 0 IGAARN CC(C)c1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2ccc3c(c2)OCCO3)cc1 ZINC000015923302 556564601 /nfs/dbraw/zinc/56/46/01/556564601.db2.gz HHNNXLHDOARSIQ-UHFFFAOYSA-N 0 0 426.498 3.186 50 0 IGAARN NC(=O)[C@H](c1ccc(Br)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000072308519 556565218 /nfs/dbraw/zinc/56/52/18/556565218.db2.gz MWABIRQXTYHBEQ-FQEVSTJZSA-N 0 0 425.330 3.346 50 0 IGAARN COc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1OC ZINC000033825536 556568181 /nfs/dbraw/zinc/56/81/81/556568181.db2.gz INQJDOYLFNUMOR-CXUHLZMHSA-N 0 0 444.310 3.145 50 0 IGAARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000015973492 556570370 /nfs/dbraw/zinc/57/03/70/556570370.db2.gz PYTRLORTKHPBDD-DNVFCKCGSA-N 0 0 435.549 3.171 50 0 IGAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCC2 ZINC000016193211 556575480 /nfs/dbraw/zinc/57/54/80/556575480.db2.gz FMZJWZXUQZKROM-UHFFFAOYSA-N 0 0 429.542 3.159 50 0 IGAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000060240949 556580681 /nfs/dbraw/zinc/58/06/81/556580681.db2.gz IIWHKOQLEFTYGI-OAHLLOKOSA-N 0 0 447.507 3.373 50 0 IGAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016093055 556582468 /nfs/dbraw/zinc/58/24/68/556582468.db2.gz MNTVEZLXYQGUNU-UHFFFAOYSA-N 0 0 429.325 3.229 50 0 IGAARN O=C(NCc1ccco1)N1CCC(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000032913109 556587236 /nfs/dbraw/zinc/58/72/36/556587236.db2.gz WQVSSLQZOLALCH-IBGZPJMESA-N 0 0 431.558 3.471 50 0 IGAARN C[C@@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000072311875 556591662 /nfs/dbraw/zinc/59/16/62/556591662.db2.gz LPBYTUGMXLZNAA-QGZVFWFLSA-N 0 0 441.528 3.474 50 0 IGAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc1Cl ZINC000016325649 556600853 /nfs/dbraw/zinc/60/08/53/556600853.db2.gz VHKNBGQRUZCEEK-PWSUYJOCSA-N 0 0 447.007 3.027 50 0 IGAARN O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000016400579 556605464 /nfs/dbraw/zinc/60/54/64/556605464.db2.gz VGKVHNWOWWOVIK-UHFFFAOYSA-N 0 0 428.535 3.380 50 0 IGAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(C)o3)s2)cc1 ZINC000032987020 556606780 /nfs/dbraw/zinc/60/67/80/556606780.db2.gz KMBDXLRUDYNFTB-UHFFFAOYSA-N 0 0 432.527 3.250 50 0 IGAARN O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCCc1ccccc1 ZINC000032987588 556607961 /nfs/dbraw/zinc/60/79/61/556607961.db2.gz SWNPYXQETHTXBE-UHFFFAOYSA-N 0 0 428.489 3.195 50 0 IGAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000016455675 556609749 /nfs/dbraw/zinc/60/97/49/556609749.db2.gz NJSCVDNOIDGVJT-FKIZINRSSA-N 0 0 448.292 3.233 50 0 IGAARN COc1ccc(-n2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000013495582 556610195 /nfs/dbraw/zinc/61/01/95/556610195.db2.gz WJOFRNHCZRQSEW-UHFFFAOYSA-N 0 0 440.297 3.466 50 0 IGAARN Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)[nH]c(=O)c2c1C ZINC000032995775 556611013 /nfs/dbraw/zinc/61/10/13/556611013.db2.gz ABMFSSXIZMANJC-ZIAGYGMSSA-N 0 0 445.566 3.179 50 0 IGAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCCc2c(C(N)=O)cccc21 ZINC000032915893 556613170 /nfs/dbraw/zinc/61/31/70/556613170.db2.gz DFAUCALLVKEPKI-UHFFFAOYSA-N 0 0 439.331 3.088 50 0 IGAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)n1 ZINC000038654859 556615336 /nfs/dbraw/zinc/61/53/36/556615336.db2.gz ZBWOFIFVLYKKEJ-UHFFFAOYSA-N 0 0 444.582 3.069 50 0 IGAARN O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000016695111 556628578 /nfs/dbraw/zinc/62/85/78/556628578.db2.gz ROYOAOBBQJLPGI-INIZCTEOSA-N 0 0 432.502 3.136 50 0 IGAARN CCOC(=O)c1sc2[nH]c([C@@H](C)N3CCN(c4ccccc4)CC3)nc(=O)c2c1C ZINC000016699333 556629171 /nfs/dbraw/zinc/62/91/71/556629171.db2.gz FBFYUXRPLAELCK-OAHLLOKOSA-N 0 0 426.542 3.353 50 0 IGAARN COc1ccc(OC)c(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)c1 ZINC000016728981 556630951 /nfs/dbraw/zinc/63/09/51/556630951.db2.gz DKGDMBXIPODKHZ-UDWIEESQSA-N 0 0 437.521 3.418 50 0 IGAARN CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 ZINC000016730724 556631342 /nfs/dbraw/zinc/63/13/42/556631342.db2.gz JGXVNCFCVBSVGV-XMHGGMMESA-N 0 0 435.505 3.331 50 0 IGAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100614671 556631671 /nfs/dbraw/zinc/63/16/71/556631671.db2.gz ZWYIGGAREXJFLE-IBGZPJMESA-N 0 0 428.510 3.206 50 0 IGAARN COCc1nn2c(nnc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392122 556638080 /nfs/dbraw/zinc/63/80/80/556638080.db2.gz DPVYYJLGVGUMBZ-UHFFFAOYSA-N 0 0 445.454 3.449 50 0 IGAARN CCCCOC(=O)c1ccc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)cc1 ZINC000016752767 556638172 /nfs/dbraw/zinc/63/81/72/556638172.db2.gz XHUSXQGKKHAUAH-UHFFFAOYSA-N 0 0 425.894 3.133 50 0 IGAARN Cc1nn2c(ncc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397732 556639694 /nfs/dbraw/zinc/63/96/94/556639694.db2.gz STNWDDAYEFWHKZ-UHFFFAOYSA-N 0 0 437.931 3.395 50 0 IGAARN COc1cc2c3c(c1)C(CN1CCN(c4ccccc4F)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000409417619 556641956 /nfs/dbraw/zinc/64/19/56/556641956.db2.gz JRHWLUAXQYZERN-UHFFFAOYSA-N 0 0 435.499 3.361 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719634 556644796 /nfs/dbraw/zinc/64/47/96/556644796.db2.gz LJDFXOLWKLNPSV-CQSZACIVSA-N 0 0 442.006 3.480 50 0 IGAARN CC(C)C(=O)N1CCc2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2[C@@H]1c1ccccc1 ZINC000037604269 556645480 /nfs/dbraw/zinc/64/54/80/556645480.db2.gz OYHLTNKTWZCCDQ-DVECYGJZSA-N 0 0 436.552 3.443 50 0 IGAARN COc1ccc2cc(CCNC(=O)c3ccccc3I)c(=O)[nH]c2c1 ZINC000011726457 556646879 /nfs/dbraw/zinc/64/68/79/556646879.db2.gz PCNLAQBRXXFWAH-UHFFFAOYSA-N 0 0 448.260 3.114 50 0 IGAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)ccn1 ZINC000032922139 556647682 /nfs/dbraw/zinc/64/76/82/556647682.db2.gz WUVFLQOFHAZJQY-GOSISDBHSA-N 0 0 436.464 3.388 50 0 IGAARN COc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1 ZINC000038487378 556649028 /nfs/dbraw/zinc/64/90/28/556649028.db2.gz HELBZGHUSGFCND-UHFFFAOYSA-N 0 0 448.870 3.111 50 0 IGAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(C)c5)c(=O)n4ccn3n2)cc1 ZINC000038487405 556649191 /nfs/dbraw/zinc/64/91/91/556649191.db2.gz AMDPDVOWOZHYLC-UHFFFAOYSA-N 0 0 442.479 3.075 50 0 IGAARN O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)Nc1ccc2c(c1)OCO2 ZINC000011737914 556649862 /nfs/dbraw/zinc/64/98/62/556649862.db2.gz ZKRRKPAXCNKUJU-UHFFFAOYSA-N 0 0 426.429 3.328 50 0 IGAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(F)cc1F ZINC000011758521 556653012 /nfs/dbraw/zinc/65/30/12/556653012.db2.gz PKNANZJCPZZAFX-UHFFFAOYSA-N 0 0 430.415 3.418 50 0 IGAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 ZINC000011758589 556653193 /nfs/dbraw/zinc/65/31/93/556653193.db2.gz MMCHUAPZAJIDQO-UHFFFAOYSA-N 0 0 434.481 3.036 50 0 IGAARN COc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccccc5)n4ccn3n2)cc1 ZINC000038652200 556653650 /nfs/dbraw/zinc/65/36/50/556653650.db2.gz KXGQBOKYHMHNDT-UHFFFAOYSA-N 0 0 444.520 3.461 50 0 IGAARN COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 ZINC000017062345 556654671 /nfs/dbraw/zinc/65/46/71/556654671.db2.gz GCYBNNZSHPSKJT-UHFFFAOYSA-N 0 0 432.586 3.426 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000017064411 556654891 /nfs/dbraw/zinc/65/48/91/556654891.db2.gz RVNOCPDPWXNOQR-UHFFFAOYSA-N 0 0 430.448 3.089 50 0 IGAARN COc1ccc(-c2cc3ncnc(N4CCCC[C@H]4CNS(C)(=O)=O)c3s2)cc1 ZINC000032926974 556656128 /nfs/dbraw/zinc/65/61/28/556656128.db2.gz UYLZZKLLBHDPGW-HNNXBMFYSA-N 0 0 432.571 3.275 50 0 IGAARN COCCCNC(=O)C(=O)Nc1ccc(-c2nnc(Nc3ccc(OC)cc3)s2)cc1 ZINC000011797234 556657554 /nfs/dbraw/zinc/65/75/54/556657554.db2.gz MFZAQSXAALSEGI-UHFFFAOYSA-N 0 0 441.513 3.049 50 0 IGAARN CCN(C(=O)c1cc2c(n1Cc1ccccc1)n(C)c(=O)n(C)c2=O)c1cccc(C)c1 ZINC000011845032 556660862 /nfs/dbraw/zinc/66/08/62/556660862.db2.gz RZAPLKCAUHGWCO-UHFFFAOYSA-N 0 0 430.508 3.062 50 0 IGAARN Cn1nccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@H](C(C)(C)C)C2 ZINC000017097170 556661222 /nfs/dbraw/zinc/66/12/22/556661222.db2.gz JYEAEWYDDHNXKN-AWEZNQCLSA-N 0 0 430.574 3.357 50 0 IGAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1C ZINC000011854905 556662161 /nfs/dbraw/zinc/66/21/61/556662161.db2.gz HLSIFMRPILJYCK-UHFFFAOYSA-N 0 0 435.465 3.282 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)c(OC)c1 ZINC000017112532 556667709 /nfs/dbraw/zinc/66/77/09/556667709.db2.gz UZRHMYPOIGWDPK-MRXNPFEDSA-N 0 0 439.497 3.110 50 0 IGAARN COC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N(c2ccc3c(c2)OCCO3)[C@]1(O)C(C)C ZINC000248149476 556669274 /nfs/dbraw/zinc/66/92/74/556669274.db2.gz ATXBLJHPOZNELU-MZKRTTBSSA-N 0 0 442.537 3.027 50 0 IGAARN CNC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(Cl)cc3)ccc1=O)CCCC2 ZINC000011914233 556673722 /nfs/dbraw/zinc/67/37/22/556673722.db2.gz DIFYWGPJQXLIPG-UHFFFAOYSA-N 0 0 442.928 3.438 50 0 IGAARN Cc1cc2oc(C(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C ZINC000011915010 556674240 /nfs/dbraw/zinc/67/42/40/556674240.db2.gz IWMVDCTZVOTSQW-SFHVURJKSA-N 0 0 443.496 3.378 50 0 IGAARN CN(CCCNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)CC(F)(F)F ZINC000032932638 556675855 /nfs/dbraw/zinc/67/58/55/556675855.db2.gz VPKMZWDZXQAKNX-UHFFFAOYSA-N 0 0 443.539 3.308 50 0 IGAARN CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)c2)C1=O ZINC000012004246 556680147 /nfs/dbraw/zinc/68/01/47/556680147.db2.gz CPMRHHYLVZEKCE-UHFFFAOYSA-N 0 0 436.873 3.024 50 0 IGAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)c(Cl)c2)C1=O ZINC000012006057 556680507 /nfs/dbraw/zinc/68/05/07/556680507.db2.gz NRADKRXECLPVKT-ZDUSSCGKSA-N 0 0 445.928 3.106 50 0 IGAARN Cc1ccc(-c2nnc(N3CCN(C(=O)CSc4nc[nH]n4)CC3)c3ccccc32)cc1 ZINC000018179484 556685870 /nfs/dbraw/zinc/68/58/70/556685870.db2.gz JETHZSGIMUZAHA-UHFFFAOYSA-N 0 0 445.552 3.164 50 0 IGAARN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2n1C(F)F ZINC000010639064 556686589 /nfs/dbraw/zinc/68/65/89/556686589.db2.gz ZMBBSAFRRCYTFP-ZDUSSCGKSA-N 0 0 436.484 3.215 50 0 IGAARN CC(C)(CC(=O)NCc1cccs1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005819 556689885 /nfs/dbraw/zinc/68/98/85/556689885.db2.gz JPCLSNIHKRBWBC-UHFFFAOYSA-N 0 0 439.516 3.356 50 0 IGAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 ZINC000033024499 556695511 /nfs/dbraw/zinc/69/55/11/556695511.db2.gz BTDYGZXKEHUDQN-UHFFFAOYSA-N 0 0 441.557 3.010 50 0 IGAARN CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000013576739 556698323 /nfs/dbraw/zinc/69/83/23/556698323.db2.gz LCBKVJMDADCWJU-GOTSBHOMSA-N 0 0 437.517 3.201 50 0 IGAARN O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000013572914 556698993 /nfs/dbraw/zinc/69/89/93/556698993.db2.gz GTJKIXFJIJJNLT-FGZHOGPDSA-N 0 0 431.536 3.208 50 0 IGAARN O=C(COC(=O)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024278806 556700303 /nfs/dbraw/zinc/70/03/03/556700303.db2.gz LDKWZFZEMOAIKR-UHFFFAOYSA-N 0 0 427.810 3.259 50 0 IGAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN([C@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000013723434 556719008 /nfs/dbraw/zinc/71/90/08/556719008.db2.gz BJXCALBTKBGMOJ-INIZCTEOSA-N 0 0 441.505 3.116 50 0 IGAARN COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 ZINC000054274346 556729805 /nfs/dbraw/zinc/72/98/05/556729805.db2.gz GGHHTAAGPQLARE-UHFFFAOYSA-N 0 0 425.924 3.182 50 0 IGAARN CC(C)(C)OC(=O)[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)CN1 ZINC000055095184 556734377 /nfs/dbraw/zinc/73/43/77/556734377.db2.gz QREXUOPICBXMBR-IFXJQAMLSA-N 0 0 427.497 3.287 50 0 IGAARN COC(=O)c1cn(CC(=O)N2CCCN(C)c3nc4ccccc4nc32)c2ccccc12 ZINC000019295433 556734487 /nfs/dbraw/zinc/73/44/87/556734487.db2.gz RYJWBQDXWPSSGW-UHFFFAOYSA-N 0 0 429.480 3.244 50 0 IGAARN Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)s1 ZINC000055133411 556735760 /nfs/dbraw/zinc/73/57/60/556735760.db2.gz GPDWQCYTRGWVEL-QGZVFWFLSA-N 0 0 425.476 3.082 50 0 IGAARN CC(C)(C)NS(=O)(=O)c1cc(C(=O)OC[C@H]2COc3ccccc3O2)ccc1Cl ZINC000019316626 556735874 /nfs/dbraw/zinc/73/58/74/556735874.db2.gz GFLWHWQZVMJJLK-CQSZACIVSA-N 0 0 439.917 3.414 50 0 IGAARN COCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C ZINC000055168973 556736983 /nfs/dbraw/zinc/73/69/83/556736983.db2.gz JWTCMTDMRSSPTJ-FQEVSTJZSA-N 0 0 434.606 3.472 50 0 IGAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1 ZINC000013829321 556744728 /nfs/dbraw/zinc/74/47/28/556744728.db2.gz PWMXNBPWTQYMFX-UHFFFAOYSA-N 0 0 426.498 3.390 50 0 IGAARN COc1ccccc1C(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013854945 556746561 /nfs/dbraw/zinc/74/65/61/556746561.db2.gz XKXGBCAHHJRUTJ-UHFFFAOYSA-N 0 0 435.455 3.246 50 0 IGAARN COCCn1c(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc2ccccc21 ZINC000206228586 556748636 /nfs/dbraw/zinc/74/86/36/556748636.db2.gz PAZYXFFRVBWEBE-HXUWFJFHSA-N 0 0 432.480 3.097 50 0 IGAARN O=C(NC1CCCCC1)NC1CCN(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000058018854 556754141 /nfs/dbraw/zinc/75/41/41/556754141.db2.gz BGSVBWKLWGDJKZ-UHFFFAOYSA-N 0 0 449.939 3.299 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000058018588 556754161 /nfs/dbraw/zinc/75/41/61/556754161.db2.gz KTHFQDLYGTZKOO-QGZVFWFLSA-N 0 0 444.875 3.315 50 0 IGAARN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000058023074 556754566 /nfs/dbraw/zinc/75/45/66/556754566.db2.gz VNOSYWNNWVVYDB-GOSISDBHSA-N 0 0 429.542 3.134 50 0 IGAARN COCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccco1 ZINC000058047224 556755066 /nfs/dbraw/zinc/75/50/66/556755066.db2.gz OEOFTJUCQJQDPF-HXUWFJFHSA-N 0 0 439.493 3.405 50 0 IGAARN CN(C[C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1)C(=O)OC(C)(C)C ZINC000058104148 556758501 /nfs/dbraw/zinc/75/85/01/556758501.db2.gz HKRVVQAIZCIMFD-CQSZACIVSA-N 0 0 442.969 3.255 50 0 IGAARN CC(C)[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2ccccc2)no1 ZINC000058130774 556760227 /nfs/dbraw/zinc/76/02/27/556760227.db2.gz JSYWSHZWGNHPTO-IBGZPJMESA-N 0 0 440.525 3.404 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2noc(-c3ccccc3)n2)cc1 ZINC000058144990 556761392 /nfs/dbraw/zinc/76/13/92/556761392.db2.gz MYYYOUQAWPQTBN-NTCAYCPXSA-N 0 0 440.525 3.097 50 0 IGAARN COC(=O)[C@H](CC(C)C)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000062001608 556764334 /nfs/dbraw/zinc/76/43/34/556764334.db2.gz KAZHXVNHEGLXAT-INIZCTEOSA-N 0 0 445.512 3.288 50 0 IGAARN Cn1ccnc1CN1CCC(C(=O)Nc2cc(-c3ccccc3Br)[nH]n2)CC1 ZINC000058162092 556765695 /nfs/dbraw/zinc/76/56/95/556765695.db2.gz KGSAJRMZBABDLA-UHFFFAOYSA-N 0 0 443.349 3.423 50 0 IGAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000058166738 556766769 /nfs/dbraw/zinc/76/67/69/556766769.db2.gz PGJOMQXIBWVKRH-AWEZNQCLSA-N 0 0 448.511 3.099 50 0 IGAARN NC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCCC2 ZINC000058172510 556768562 /nfs/dbraw/zinc/76/85/62/556768562.db2.gz OCQPYRBMDBQENZ-AWEZNQCLSA-N 0 0 433.599 3.407 50 0 IGAARN Cc1cccc(NC(=O)N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)c1 ZINC000058264652 556776461 /nfs/dbraw/zinc/77/64/61/556776461.db2.gz NCPDBACTJWCXSI-UHFFFAOYSA-N 0 0 425.514 3.415 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(SC3CCCC3)cc2)C[C@H](C)O1 ZINC000058358155 556782944 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O=C(CSCc1cc(=O)n2cc(Br)ccc2n1)NCc1ccc(F)cc1 ZINC000023412011 557091790 /nfs/dbraw/zinc/09/17/90/557091790.db2.gz YMRXNPBNCKQZKD-UHFFFAOYSA-N 0 0 436.306 3.146 50 0 IGAARN O=C(CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1)NCc1ccccc1 ZINC000033309994 557092618 /nfs/dbraw/zinc/09/26/18/557092618.db2.gz QESLPFHJSFWMAN-UHFFFAOYSA-N 0 0 437.544 3.351 50 0 IGAARN COCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000033310226 557093533 /nfs/dbraw/zinc/09/35/33/557093533.db2.gz XEVHXPQBIYQKRA-QGZVFWFLSA-N 0 0 439.516 3.337 50 0 IGAARN O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)Nc1nccs1 ZINC000049364220 557094607 /nfs/dbraw/zinc/09/46/07/557094607.db2.gz ILWQYNHWBMYXCR-UHFFFAOYSA-N 0 0 436.563 3.191 50 0 IGAARN COc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc2c1O[C@@H](C)C2 ZINC000023498901 557094963 /nfs/dbraw/zinc/09/49/63/557094963.db2.gz ILHFZKOLSHJEKY-LBPRGKRZSA-N 0 0 433.302 3.458 50 0 IGAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(C)c4C)CC3)nc2N)cc1 ZINC000049401552 557097095 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Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 ZINC000023673249 557104981 /nfs/dbraw/zinc/10/49/81/557104981.db2.gz POMWWPCNJQDUOR-UHFFFAOYSA-N 0 0 443.544 3.312 50 0 IGAARN O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000023673675 557105041 /nfs/dbraw/zinc/10/50/41/557105041.db2.gz AOWMGRDPTUMAPO-HXUWFJFHSA-N 0 0 448.007 3.344 50 0 IGAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1C(F)(F)F ZINC000585147603 557105409 /nfs/dbraw/zinc/10/54/09/557105409.db2.gz FNGJNDJHEPVHLU-UHFFFAOYSA-N 0 0 425.432 3.169 50 0 IGAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4cc(F)cc(F)c4)c(=O)n32)c1 ZINC000049410700 557105887 /nfs/dbraw/zinc/10/58/87/557105887.db2.gz OZXQLPGQMQHQRQ-UHFFFAOYSA-N 0 0 438.438 3.477 50 0 IGAARN CC[C@H]1CCCCN1C(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O ZINC000049411421 557106379 /nfs/dbraw/zinc/10/63/79/557106379.db2.gz VGZXLFVOKSAEBQ-SFHVURJKSA-N 0 0 428.558 3.281 50 0 IGAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000023692685 557106978 /nfs/dbraw/zinc/10/69/78/557106978.db2.gz DTABXCFPFFLICR-MRXNPFEDSA-N 0 0 429.542 3.293 50 0 IGAARN CCCN1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1 ZINC000049420821 557107142 /nfs/dbraw/zinc/10/71/42/557107142.db2.gz CRTVRUIABFWDGO-UHFFFAOYSA-N 0 0 437.548 3.091 50 0 IGAARN COc1ccc(S(=O)(=O)CC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 ZINC000049431328 557109842 /nfs/dbraw/zinc/10/98/42/557109842.db2.gz SDNFFTZKJVLZMC-UHFFFAOYSA-N 0 0 446.550 3.149 50 0 IGAARN CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C(C)C)cc1 ZINC000023735847 557111940 /nfs/dbraw/zinc/11/19/40/557111940.db2.gz XRKVGDVVZZODOR-NRFANRHFSA-N 0 0 429.586 3.246 50 0 IGAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3c(C)cc(C)[nH]c3=O)C2)c2ccccc12 ZINC000049590101 557116688 /nfs/dbraw/zinc/11/66/88/557116688.db2.gz ARIRPPZHMSOFRK-SFHVURJKSA-N 0 0 447.535 3.322 50 0 IGAARN O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023817872 557118057 /nfs/dbraw/zinc/11/80/57/557118057.db2.gz TWERSALLDBCQSV-SFHVURJKSA-N 0 0 435.952 3.490 50 0 IGAARN CCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1 ZINC000049694024 557118086 /nfs/dbraw/zinc/11/80/86/557118086.db2.gz MTGHEECLSJPYEC-YLZCUGDYSA-N 0 0 446.573 3.117 50 0 IGAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023820084 557119313 /nfs/dbraw/zinc/11/93/13/557119313.db2.gz BQRRJCZMMCZLJU-UHFFFAOYSA-N 0 0 441.915 3.154 50 0 IGAARN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023845545 557119967 /nfs/dbraw/zinc/11/99/67/557119967.db2.gz JNSQVAVUKDISPA-QGZVFWFLSA-N 0 0 448.535 3.023 50 0 IGAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1 ZINC000023873301 557122356 /nfs/dbraw/zinc/12/23/56/557122356.db2.gz AGUHFESZLQMVEG-UHFFFAOYSA-N 0 0 438.553 3.086 50 0 IGAARN Cc1sc2nc(CN3CCN(C(=O)CCn4ccc5ccccc54)CC3)[nH]c(=O)c2c1C ZINC000023882384 557123083 /nfs/dbraw/zinc/12/30/83/557123083.db2.gz CFHQNKNGTPDKMA-UHFFFAOYSA-N 0 0 449.580 3.291 50 0 IGAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000023908004 557124718 /nfs/dbraw/zinc/12/47/18/557124718.db2.gz AJBHLFMAMMWMLP-QFIPXVFZSA-N 0 0 438.509 3.063 50 0 IGAARN COC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 ZINC000000648318 557124831 /nfs/dbraw/zinc/12/48/31/557124831.db2.gz WJOCGIAIEWAGLP-UHFFFAOYSA-N 0 0 443.550 3.391 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccccc4Cl)ccc3c2=O)cc1 ZINC000004791436 557125079 /nfs/dbraw/zinc/12/50/79/557125079.db2.gz MSVPMIYXAGITOC-UHFFFAOYSA-N 0 0 449.894 3.330 50 0 IGAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000023950740 557127372 /nfs/dbraw/zinc/12/73/72/557127372.db2.gz SNTSQLMXPGXPHQ-VLIAUNLRSA-N 0 0 427.455 3.177 50 0 IGAARN C[C@@H]1CN(C(=O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000017897011 557127601 /nfs/dbraw/zinc/12/76/01/557127601.db2.gz MCIWKJNHWWETKN-GASCZTMLSA-N 0 0 435.981 3.249 50 0 IGAARN O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1 ZINC000023955870 557127675 /nfs/dbraw/zinc/12/76/75/557127675.db2.gz HMZPDTIWPRXYHB-UHFFFAOYSA-N 0 0 434.521 3.242 50 0 IGAARN CN(C)C(=O)[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccccc1 ZINC000017948204 557129877 /nfs/dbraw/zinc/12/98/77/557129877.db2.gz BMJWAWPGTVDQGB-IBGZPJMESA-N 0 0 441.532 3.165 50 0 IGAARN C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000017963209 557133473 /nfs/dbraw/zinc/13/34/73/557133473.db2.gz UDTBWGWZYWYSLM-LLVKDONJSA-N 0 0 426.325 3.299 50 0 IGAARN Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000024758348 557134591 /nfs/dbraw/zinc/13/45/91/557134591.db2.gz CZYXPUPYTAUOBZ-UHFFFAOYSA-N 0 0 434.945 3.340 50 0 IGAARN C[C@@H](OC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2)C(=O)N1CCOCC1 ZINC000010933046 557136985 /nfs/dbraw/zinc/13/69/85/557136985.db2.gz HJCWAOBKRGNBFB-CQSZACIVSA-N 0 0 434.558 3.160 50 0 IGAARN O=C(c1cccc(I)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024136101 557138075 /nfs/dbraw/zinc/13/80/75/557138075.db2.gz QLMPDNXBTZEGBG-UHFFFAOYSA-N 0 0 448.304 3.184 50 0 IGAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137191 557138352 /nfs/dbraw/zinc/13/83/52/557138352.db2.gz OMTPHNPXJQTXRU-UHFFFAOYSA-N 0 0 436.487 3.088 50 0 IGAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(CCCN1CCOCC1)C3=O ZINC000024193031 557140474 /nfs/dbraw/zinc/14/04/74/557140474.db2.gz AOARXBPHTFRYEB-QFIPXVFZSA-N 0 0 434.492 3.075 50 0 IGAARN Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000024293068 557143225 /nfs/dbraw/zinc/14/32/25/557143225.db2.gz BXUOFXBHPFFTHB-UHFFFAOYSA-N 0 0 426.904 3.422 50 0 IGAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)on2)cc1 ZINC000024335145 557144467 /nfs/dbraw/zinc/14/44/67/557144467.db2.gz NRAMOYUERYZCOC-UHFFFAOYSA-N 0 0 449.479 3.135 50 0 IGAARN Cn1ccnc1[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccccc1F ZINC000024440685 557146954 /nfs/dbraw/zinc/14/69/54/557146954.db2.gz GYSGQLTYDDTEEV-PKOBYXMFSA-N 0 0 429.883 3.218 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(OCC)cc2)CC1 ZINC000024472003 557147760 /nfs/dbraw/zinc/14/77/60/557147760.db2.gz NFNMRNQUFJNKTM-UHFFFAOYSA-N 0 0 447.561 3.134 50 0 IGAARN Cc1cc(NC(=O)[C@@H](OC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2ccccc2)no1 ZINC000024534786 557150392 /nfs/dbraw/zinc/15/03/92/557150392.db2.gz PXBDHMPISIHEIN-NRFANRHFSA-N 0 0 432.436 3.389 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000024609086 557154302 /nfs/dbraw/zinc/15/43/02/557154302.db2.gz SUXZUYSGNNKXAG-UHFFFAOYSA-N 0 0 444.553 3.352 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024610122 557154474 /nfs/dbraw/zinc/15/44/74/557154474.db2.gz MBIBHTRTYUNGIZ-UHFFFAOYSA-N 0 0 448.516 3.183 50 0 IGAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSc3ccccc3)CC2)c1 ZINC000024611916 557155106 /nfs/dbraw/zinc/15/51/06/557155106.db2.gz FIDIALUVXJYVNP-UHFFFAOYSA-N 0 0 432.611 3.445 50 0 IGAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000024652206 557157392 /nfs/dbraw/zinc/15/73/92/557157392.db2.gz CGTXAAHCISSABY-UHFFFAOYSA-N 0 0 443.550 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557391965 /nfs/dbraw/zinc/39/19/65/557391965.db2.gz RKTVHUAOACABMA-UHFFFAOYSA-N 0 0 435.459 3.067 50 0 IGAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1OC ZINC000011694906 557392599 /nfs/dbraw/zinc/39/25/99/557392599.db2.gz GBELCMRJYJHUSH-PUCZYUMASA-N 0 0 437.500 3.352 50 0 IGAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NCc1ccccc1 ZINC000011696061 557394184 /nfs/dbraw/zinc/39/41/84/557394184.db2.gz IQRXCVWPUDLRBR-UHFFFAOYSA-N 0 0 429.929 3.242 50 0 IGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3)c12 ZINC000011696179 557394410 /nfs/dbraw/zinc/39/44/10/557394410.db2.gz COWCYYAKZYRBOO-OAHLLOKOSA-N 0 0 444.582 3.454 50 0 IGAARN COc1ccc(-c2csc(NC(=O)CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2)cc1 ZINC000033434169 557397316 /nfs/dbraw/zinc/39/73/16/557397316.db2.gz QYZNVAHQUGUHBB-WBVHZDCISA-N 0 0 436.537 3.038 50 0 IGAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)O[C@@H]2CCOC2=O)cc1OC ZINC000033477396 557400917 /nfs/dbraw/zinc/40/09/17/557400917.db2.gz 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COc1ccc([C@@H](C)NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000051316734 557465027 /nfs/dbraw/zinc/46/50/27/557465027.db2.gz VASWJTCIQXGNOP-CQSZACIVSA-N 0 0 435.509 3.087 50 0 IGAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl ZINC000051316740 557465084 /nfs/dbraw/zinc/46/50/84/557465084.db2.gz QAODRUPTQLNNJU-UHFFFAOYSA-N 0 0 425.901 3.171 50 0 IGAARN COc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316773 557465730 /nfs/dbraw/zinc/46/57/30/557465730.db2.gz GHFAMSPJJRSHQY-UHFFFAOYSA-N 0 0 443.435 3.126 50 0 IGAARN O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1ccc(F)cc1 ZINC000051316897 557465863 /nfs/dbraw/zinc/46/58/63/557465863.db2.gz QONBBYGCWSFOKG-UHFFFAOYSA-N 0 0 442.248 3.098 50 0 IGAARN Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(Br)cc4)cc3c2=O)cc1 ZINC000051316883 557465920 /nfs/dbraw/zinc/46/59/20/557465920.db2.gz KENRXFKRUZJXRL-UHFFFAOYSA-N 0 0 438.285 3.268 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000105329471 557495357 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AXQUUILXQDGYTQ-UHFFFAOYSA-N 0 0 430.512 3.349 50 0 IGAARN Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2I)c1Cl ZINC000002784187 557522129 /nfs/dbraw/zinc/52/21/29/557522129.db2.gz NPMBHQWYYGIKTB-UHFFFAOYSA-N 0 0 434.690 3.113 50 0 IGAARN COc1ccc(-n2c3nc(-c4ccc(Cl)c(Cl)c4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080842 557527731 /nfs/dbraw/zinc/52/77/31/557527731.db2.gz VACOTHVXTYGVCT-UHFFFAOYSA-N 0 0 430.251 3.190 50 0 IGAARN Cn1cccc1CN(Cc1cccs1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000211076736 557533400 /nfs/dbraw/zinc/53/34/00/557533400.db2.gz SRTMMUIGCIRWPX-UHFFFAOYSA-N 0 0 441.578 3.313 50 0 IGAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000211091317 557533897 /nfs/dbraw/zinc/53/38/97/557533897.db2.gz GVRRKKLJCFXTJQ-JOCHJYFZSA-N 0 0 449.532 3.212 50 0 IGAARN COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)cc1 ZINC000211077530 557533907 /nfs/dbraw/zinc/53/39/07/557533907.db2.gz UTHSVPVTWFSQRC-UHFFFAOYSA-N 0 0 430.468 3.490 50 0 IGAARN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000107067096 557534556 /nfs/dbraw/zinc/53/45/56/557534556.db2.gz FBGGSYIIUULKIN-HRAATJIYSA-N 0 0 426.513 3.414 50 0 IGAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000045509926 557543804 /nfs/dbraw/zinc/54/38/04/557543804.db2.gz LFKPXFXCVNZATJ-SNVBAGLBSA-N 0 0 436.299 3.061 50 0 IGAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1 ZINC000045896510 557546219 /nfs/dbraw/zinc/54/62/19/557546219.db2.gz AONBDXQMRDNXBR-UHFFFAOYSA-N 0 0 431.492 3.291 50 0 IGAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NCc4ccccc4OC)n3n2)cc1 ZINC000045939145 557548309 /nfs/dbraw/zinc/54/83/09/557548309.db2.gz VKEOANHXPMWFEL-UHFFFAOYSA-N 0 0 449.536 3.064 50 0 IGAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3ccc(SC4CCCCC4)nn3c1=O)CCO2 ZINC000045970837 557558319 /nfs/dbraw/zinc/55/83/19/557558319.db2.gz FOHMOEKEIHRNCV-UHFFFAOYSA-N 0 0 439.541 3.050 50 0 IGAARN COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)c2sc(-c3ccsc3)nc2C)nn1 ZINC000040152501 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COc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n21 ZINC000015732551 568815331 /nfs/dbraw/zinc/81/53/31/568815331.db2.gz BZOUZIYBIJFWHM-UHFFFAOYSA-N 0 0 441.900 3.477 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1cccc(Cl)c1 ZINC000015768618 568822068 /nfs/dbraw/zinc/82/20/68/568822068.db2.gz XDGBLKCLDUYYKE-UHFFFAOYSA-N 0 0 432.929 3.442 50 0 IGAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2=O)s1 ZINC000015771598 568822505 /nfs/dbraw/zinc/82/25/05/568822505.db2.gz MCZSAYJITXQTKM-UHFFFAOYSA-N 0 0 434.477 3.323 50 0 IGAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2C)c2ccco2)cc1 ZINC000015781207 568825820 /nfs/dbraw/zinc/82/58/20/568825820.db2.gz AUZJEJTWYMBPKF-OAQYLSRUSA-N 0 0 429.494 3.307 50 0 IGAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cc(OC)ccc1OC ZINC000015781767 568826194 /nfs/dbraw/zinc/82/61/94/568826194.db2.gz XCNZRLVEIBSQMG-GOSISDBHSA-N 0 0 444.484 3.415 50 0 IGAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)ccc21 ZINC000015784375 568827453 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568937814 /nfs/dbraw/zinc/93/78/14/568937814.db2.gz FEZDHDVYTXCIFT-UHFFFAOYSA-N 0 0 436.541 3.325 50 0 IGAARN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-n3c(C)c[nH]c3=O)c2)C1 ZINC000089568350 568937827 /nfs/dbraw/zinc/93/78/27/568937827.db2.gz GWHTVYURMPLQBP-QGZVFWFLSA-N 0 0 426.904 3.145 50 0 IGAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1ccc(F)cc1F ZINC000064611372 568940268 /nfs/dbraw/zinc/94/02/68/568940268.db2.gz HRKVTRWXOCWUNY-HSZRJFAPSA-N 0 0 427.495 3.193 50 0 IGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CCC4)C(C)C)CC3)nn2)cc1 ZINC000036069490 568945406 /nfs/dbraw/zinc/94/54/06/568945406.db2.gz BKVDYCVTYXMCEI-UHFFFAOYSA-N 0 0 435.572 3.138 50 0 IGAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)C(C)C)C(C)C)CC3)nn2)cc1 ZINC000036070069 568945555 /nfs/dbraw/zinc/94/55/55/568945555.db2.gz LGKOEGOLFUZHPW-UHFFFAOYSA-N 0 0 437.588 3.384 50 0 IGAARN CC(C)CN(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CCC1 ZINC000036072667 568945692 /nfs/dbraw/zinc/94/56/92/568945692.db2.gz 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3.090 50 0 IGAARN O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1cc(F)ccc1F ZINC000009741163 569565213 /nfs/dbraw/zinc/56/52/13/569565213.db2.gz OQTKNUOCMOGEMC-HNNXBMFYSA-N 0 0 433.479 3.113 50 0 IGAARN O=C(Nc1cccnc1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009750592 569566032 /nfs/dbraw/zinc/56/60/32/569566032.db2.gz FNCBCLOGHZNDFD-UHFFFAOYSA-N 0 0 425.466 3.296 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCOc2ccc(C)cc2)cc1 ZINC000009754168 569566136 /nfs/dbraw/zinc/56/61/36/569566136.db2.gz GENVCRWSOCLBML-JOCHJYFZSA-N 0 0 445.537 3.363 50 0 IGAARN COc1ccc(-n2ccnc(SCC(=O)NCCc3ccccc3)c2=O)cc1Cl ZINC000009761396 569566214 /nfs/dbraw/zinc/56/62/14/569566214.db2.gz DKHIZRMAPYOYRC-UHFFFAOYSA-N 0 0 429.929 3.346 50 0 IGAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1Cl ZINC000009761944 569566396 /nfs/dbraw/zinc/56/63/96/569566396.db2.gz ALNFIVVPVABBGC-UHFFFAOYSA-N 0 0 427.844 3.080 50 0 IGAARN CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)Nc1cccc(F)c1 ZINC000009761869 569566397 /nfs/dbraw/zinc/56/63/97/569566397.db2.gz KQQZAMRGYCGCQI-UHFFFAOYSA-N 0 0 445.834 3.219 50 0 IGAARN O=C(CSc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1)N1CCCC1 ZINC000009764581 569566759 /nfs/dbraw/zinc/56/67/59/569566759.db2.gz JTRRCQAUTMXRCL-UHFFFAOYSA-N 0 0 438.549 3.143 50 0 IGAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000009766322 569566841 /nfs/dbraw/zinc/56/68/41/569566841.db2.gz MQSYPMCYRJOFST-HNNXBMFYSA-N 0 0 445.541 3.469 50 0 IGAARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2cccc(OC)c2)cc1 ZINC000009778920 569567296 /nfs/dbraw/zinc/56/72/96/569567296.db2.gz PGCOCPMHOGCEBA-FGZHOGPDSA-N 0 0 428.444 3.457 50 0 IGAARN COc1cccc([C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccccc2OC)c1 ZINC000009778828 569567359 /nfs/dbraw/zinc/56/73/59/569567359.db2.gz AYBUDSJLFBOFPO-FGZHOGPDSA-N 0 0 428.444 3.457 50 0 IGAARN C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c2ccccc2S1 ZINC000009779553 569567413 /nfs/dbraw/zinc/56/74/13/569567413.db2.gz BSXFNZIXSRILMX-INIZCTEOSA-N 0 0 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O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009797438 569568502 /nfs/dbraw/zinc/56/85/02/569568502.db2.gz LKYIZSMEQTZSGT-UHFFFAOYSA-N 0 0 443.569 3.340 50 0 IGAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N([C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000009797853 569568516 /nfs/dbraw/zinc/56/85/16/569568516.db2.gz JVMWFXSUSRZBRP-RDJZCZTQSA-N 0 0 446.569 3.077 50 0 IGAARN COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccccc4)c(C)n3n2)cc1 ZINC000009808957 569569040 /nfs/dbraw/zinc/56/90/40/569569040.db2.gz FLRDDUWOBOJBJM-UHFFFAOYSA-N 0 0 435.509 3.072 50 0 IGAARN COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2nccc(C)n2)cc1=O ZINC000009815302 569569213 /nfs/dbraw/zinc/56/92/13/569569213.db2.gz ULCOCIBEKLASTA-UHFFFAOYSA-N 0 0 444.944 3.217 50 0 IGAARN O=C(CNC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccc(F)cc1 ZINC000009817691 569569274 /nfs/dbraw/zinc/56/92/74/569569274.db2.gz MINDZUIYAZLBRT-UHFFFAOYSA-N 0 0 440.452 3.358 50 0 IGAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000009819723 569569371 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COc1ccc(N(C(=O)c2c(F)cccc2Cl)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009833937 569570497 /nfs/dbraw/zinc/57/04/97/569570497.db2.gz YTZAYHFJEDKGMN-GFCCVEGCSA-N 0 0 425.865 3.454 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1 ZINC000009835177 569570626 /nfs/dbraw/zinc/57/06/26/569570626.db2.gz IGUCIKKLNPBRNW-UHFFFAOYSA-N 0 0 432.542 3.418 50 0 IGAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009836705 569570724 /nfs/dbraw/zinc/57/07/24/569570724.db2.gz MBAVOXLNIROHQL-UHFFFAOYSA-N 0 0 430.526 3.471 50 0 IGAARN COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C ZINC000009837861 569570779 /nfs/dbraw/zinc/57/07/79/569570779.db2.gz LPQRRFIFQFMJSR-UHFFFAOYSA-N 0 0 429.498 3.442 50 0 IGAARN COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1 ZINC000009837780 569570787 /nfs/dbraw/zinc/57/07/87/569570787.db2.gz ZEUIJLPWWCYPOJ-UHFFFAOYSA-N 0 0 429.498 3.442 50 0 IGAARN COc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn21 ZINC000009838719 569570824 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569576599 /nfs/dbraw/zinc/57/65/99/569576599.db2.gz JGXAXKOFGWXVAD-NRFANRHFSA-N 0 0 441.553 3.069 50 0 IGAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC(c1ccccc1)c1ccccc1 ZINC000010046040 569577501 /nfs/dbraw/zinc/57/75/01/569577501.db2.gz SPIQUEGSYLMMRO-UHFFFAOYSA-N 0 0 434.517 3.170 50 0 IGAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1-c1cccc(C)c1C ZINC000010101204 569577775 /nfs/dbraw/zinc/57/77/75/569577775.db2.gz NKLUZNLPFNRRJJ-UHFFFAOYSA-N 0 0 427.508 3.421 50 0 IGAARN Cc1c(C)n(-c2ccc(C)cc2C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n12 ZINC000010101536 569577829 /nfs/dbraw/zinc/57/78/29/569577829.db2.gz RGGXPYMAQIYDMF-UHFFFAOYSA-N 0 0 427.508 3.421 50 0 IGAARN Cc1cn2c3c(nc2n1[C@H](C)c1ccccc1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000010103840 569577857 /nfs/dbraw/zinc/57/78/57/569577857.db2.gz NVVHLITWRZOVEP-MRXNPFEDSA-N 0 0 431.471 3.255 50 0 IGAARN CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000010105126 569577867 /nfs/dbraw/zinc/57/78/67/569577867.db2.gz 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CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2nccs2)CC1 ZINC000010270046 569580005 /nfs/dbraw/zinc/58/00/05/569580005.db2.gz BZGXDRTXJIHSIJ-GYVBGXKYSA-N 0 0 430.618 3.149 50 0 IGAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2nccs2)CC1 ZINC000010270045 569580045 /nfs/dbraw/zinc/58/00/45/569580045.db2.gz BZGXDRTXJIHSIJ-HJGBXLFDSA-N 0 0 430.618 3.149 50 0 IGAARN CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc5c(c4)OCO5)c3)c2)n1 ZINC000071768498 569580728 /nfs/dbraw/zinc/58/07/28/569580728.db2.gz ABGAFQRJYHBLFV-UHFFFAOYSA-N 0 0 432.440 3.099 50 0 IGAARN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071768670 569580803 /nfs/dbraw/zinc/58/08/03/569580803.db2.gz IFTQXTNFVDEAJR-UHFFFAOYSA-N 0 0 444.451 3.162 50 0 IGAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337025 569581135 /nfs/dbraw/zinc/58/11/35/569581135.db2.gz DXIAYEKPUPWIRZ-FCHUYYIVSA-N 0 0 438.447 3.415 50 0 IGAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337027 569581147 /nfs/dbraw/zinc/58/11/47/569581147.db2.gz DXIAYEKPUPWIRZ-VXKWHMMOSA-N 0 0 438.447 3.415 50 0 IGAARN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000010342399 569581362 /nfs/dbraw/zinc/58/13/62/569581362.db2.gz ISDKVIMAKDBFEG-UHFFFAOYSA-N 0 0 438.449 3.074 50 0 IGAARN O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000010382269 569581734 /nfs/dbraw/zinc/58/17/34/569581734.db2.gz GZZFITISNKQJOP-LJQANCHMSA-N 0 0 436.961 3.368 50 0 IGAARN O=C(c1ccc(Br)o1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000071807949 569581795 /nfs/dbraw/zinc/58/17/95/569581795.db2.gz QIKQYRKXOOVKQV-UHFFFAOYSA-N 0 0 439.331 3.420 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000010388905 569581805 /nfs/dbraw/zinc/58/18/05/569581805.db2.gz RNKFXNGOBOKQHY-OAHLLOKOSA-N 0 0 436.530 3.140 50 0 IGAARN NC(=O)c1cccc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000071852387 569582538 /nfs/dbraw/zinc/58/25/38/569582538.db2.gz GSYZSOHAMJMCMR-XMMPIXPASA-N 0 0 431.511 3.210 50 0 IGAARN O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000010474043 569582547 /nfs/dbraw/zinc/58/25/47/569582547.db2.gz PRMDQYYCSGSMRP-UHFFFAOYSA-N 0 0 429.542 3.010 50 0 IGAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)NCCc1ccc(Br)s1 ZINC000010502526 569582599 /nfs/dbraw/zinc/58/25/99/569582599.db2.gz KKUFNVFRLCQEHJ-UHFFFAOYSA-N 0 0 432.299 3.326 50 0 IGAARN COC(=O)c1nc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)sc1CC(C)C ZINC000072400905 569583720 /nfs/dbraw/zinc/58/37/20/569583720.db2.gz ZLMHOAFECHVTQW-UHFFFAOYSA-N 0 0 442.541 3.600 50 0 IGAARN Cc1cccn2cc(-c3cccc(NC(=O)c4c[nH]c(=O)n(Cc5ccco5)c4=O)c3)nc12 ZINC000077099849 569585324 /nfs/dbraw/zinc/58/53/24/569585324.db2.gz SDYLCNSBHODJFT-UHFFFAOYSA-N 0 0 441.447 3.053 50 0 IGAARN CC(C)c1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 ZINC000077146462 569585651 /nfs/dbraw/zinc/58/56/51/569585651.db2.gz VNCZVCPCDLLRDW-UHFFFAOYSA-N 0 0 434.540 3.479 50 0 IGAARN Cc1cc(C)n(CCN2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1 ZINC000077190884 569585911 /nfs/dbraw/zinc/58/59/11/569585911.db2.gz WVBGYCZZNARUNZ-UHFFFAOYSA-N 0 0 431.389 3.122 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)cc1 ZINC000077200159 569586298 /nfs/dbraw/zinc/58/62/98/569586298.db2.gz CFTXDIMYRVKYPD-MOPGFXCFSA-N 0 0 445.541 3.227 50 0 IGAARN C[C@@H]1CSc2ccccc2N(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000021717703 569587171 /nfs/dbraw/zinc/58/71/71/569587171.db2.gz OMKADUXQVJGBKO-INIZCTEOSA-N 0 0 431.583 3.257 50 0 IGAARN CC[C@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943470 569587184 /nfs/dbraw/zinc/58/71/84/569587184.db2.gz OIAFRWBUQYNKAJ-GOSISDBHSA-N 0 0 429.952 3.017 50 0 IGAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000000624750 193860580 /nfs/dbraw/zinc/86/05/80/193860580.db2.gz KPIITHXFBLMHDB-UHFFFAOYSA-N 0 0 426.523 3.237 50 0 IGAARN CCOc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000000652236 193872744 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COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000002428438 555778115 /nfs/dbraw/zinc/77/81/15/555778115.db2.gz AVYWPVVRWVNCLL-QGZVFWFLSA-N 0 0 433.445 3.489 50 0 IGAARN COCCCNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000002668428 555796865 /nfs/dbraw/zinc/79/68/65/555796865.db2.gz OIQQVGHODJYKJR-KRWDZBQOSA-N 0 0 430.526 3.172 50 0 IGAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2O)cc1 ZINC000002699243 555800065 /nfs/dbraw/zinc/80/00/65/555800065.db2.gz VPMGHPYGKOGPFN-UHFFFAOYSA-N 0 0 429.523 3.363 50 0 IGAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccccc1C ZINC000034693378 555806548 /nfs/dbraw/zinc/80/65/48/555806548.db2.gz YHONMYWDDVQXAN-HXUWFJFHSA-N 0 0 430.508 3.193 50 0 IGAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccccc2)cc1 ZINC000034694359 555809516 /nfs/dbraw/zinc/80/95/16/555809516.db2.gz IENXCUJEAVCTHV-UHFFFAOYSA-N 0 0 444.491 3.299 50 0 IGAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000002835637 555832956 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Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000002887345 555858686 /nfs/dbraw/zinc/85/86/86/555858686.db2.gz ZCUXOEDSKHPMBO-GOSISDBHSA-N 0 0 445.585 3.482 50 0 IGAARN CC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002962473 555867943 /nfs/dbraw/zinc/86/79/43/555867943.db2.gz AVQAIGIDNMSEAV-KRWDZBQOSA-N 0 0 434.558 3.431 50 0 IGAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(OC)c(OC)c2)CN(C(C)=O)C1 ZINC000034732267 555872255 /nfs/dbraw/zinc/87/22/55/555872255.db2.gz CFDRQPSYHMMQES-NHCUHLMSSA-N 0 0 440.540 3.023 50 0 IGAARN COc1ccccc1CCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000034739187 555891469 /nfs/dbraw/zinc/89/14/69/555891469.db2.gz FVONHWNIHOMAHI-MOPGFXCFSA-N 0 0 444.475 3.163 50 0 IGAARN CC(C)c1ccc(NC(=O)N2CCc3nc(N4CCN(C)CC4)nc(N(C)C)c3C2)cc1 ZINC000034756605 555901739 /nfs/dbraw/zinc/90/17/39/555901739.db2.gz WGNDTYNGUXNEFM-UHFFFAOYSA-N 0 0 437.592 3.008 50 0 IGAARN Cc1cccc([C@H]2[C@@H](C(=O)NCCCN3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 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432.889 3.427 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nc1 ZINC000002752623 556137198 /nfs/dbraw/zinc/13/71/98/556137198.db2.gz ICCURSVWOJYHSQ-UHFFFAOYSA-N 0 0 433.420 3.129 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)c1c(I)cnn1C)CCCC2 ZINC000002782143 556138026 /nfs/dbraw/zinc/13/80/26/556138026.db2.gz PSDWQKOEAXOBFO-UHFFFAOYSA-N 0 0 445.282 3.004 50 0 IGAARN Cc1nn(C)cc1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002778018 556140804 /nfs/dbraw/zinc/14/08/04/556140804.db2.gz PXEFOMVHMXGSPZ-UHFFFAOYSA-N 0 0 434.260 3.242 50 0 IGAARN O=C(NCCc1ccccc1Cl)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000002952247 556151551 /nfs/dbraw/zinc/15/15/51/556151551.db2.gz BFLWOCDGNMERST-UHFFFAOYSA-N 0 0 433.895 3.364 50 0 IGAARN Cc1ccc(C(=O)N/C(=C\c2cccc(Br)c2)C(=O)N2CCOCC2)cc1 ZINC000008400334 556165861 /nfs/dbraw/zinc/16/58/61/556165861.db2.gz IHTAZXRFJSEBFZ-RGEXLXHISA-N 0 0 429.314 3.387 50 0 IGAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)COc2ccccc2)s1 ZINC000008438396 556174363 /nfs/dbraw/zinc/17/43/63/556174363.db2.gz ZIUREAWLUNLQSG-UHFFFAOYSA-N 0 0 430.511 3.295 50 0 IGAARN O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1n[nH]cc1I ZINC000008441855 556176781 /nfs/dbraw/zinc/17/67/81/556176781.db2.gz WLGOTJYHZSFWDU-UHFFFAOYSA-N 0 0 437.285 3.388 50 0 IGAARN CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1OC ZINC000008741822 556207442 /nfs/dbraw/zinc/20/74/42/556207442.db2.gz QHSNTKCALOCZCF-UWVAXJGDSA-N 0 0 438.402 3.198 50 0 IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008748162 556210030 /nfs/dbraw/zinc/21/00/30/556210030.db2.gz FFIYJDUOKQDRJD-CQSZACIVSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN C[C@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)c1nc2ccccc2c(=O)[nH]1 ZINC000008785144 556215228 /nfs/dbraw/zinc/21/52/28/556215228.db2.gz FCOWINJQKUVLQZ-LBPRGKRZSA-N 0 0 438.488 3.225 50 0 IGAARN CC[C@H](OC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 ZINC000008927516 556234708 /nfs/dbraw/zinc/23/47/08/556234708.db2.gz ZUUUNDIVRCENPK-WMZOPIPTSA-N 0 0 428.872 3.038 50 0 IGAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000008951847 556236177 /nfs/dbraw/zinc/23/61/77/556236177.db2.gz JVHUELKOHHQLTM-UHFFFAOYSA-N 0 0 447.738 3.370 50 0 IGAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 ZINC000009129534 556248488 /nfs/dbraw/zinc/24/84/88/556248488.db2.gz CVAXXIZYLRVQGF-QHAWAJNXSA-N 0 0 439.487 3.115 50 0 IGAARN Cn1c2cn(-c3cccc(O)c3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000009185394 556250526 /nfs/dbraw/zinc/25/05/26/556250526.db2.gz VLKUDONXVRFDPF-UHFFFAOYSA-N 0 0 426.270 3.163 50 0 IGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000009190931 556253253 /nfs/dbraw/zinc/25/32/53/556253253.db2.gz NFSOMWOGFDNJIE-SJLPKXTDSA-N 0 0 435.590 3.225 50 0 IGAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000009260970 556268750 /nfs/dbraw/zinc/26/87/50/556268750.db2.gz SKMNSDGKUODECX-CRRKTRLDSA-N 0 0 440.477 3.302 50 0 IGAARN CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000009261204 556269006 /nfs/dbraw/zinc/26/90/06/556269006.db2.gz FCGRIWAPSJETCY-AWNIVKPZSA-N 0 0 430.276 3.066 50 0 IGAARN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000009262374 556269491 /nfs/dbraw/zinc/26/94/91/556269491.db2.gz OCJIRBVBADTOSY-WOJBJXKFSA-N 0 0 425.460 3.327 50 0 IGAARN Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000013688757 556278294 /nfs/dbraw/zinc/27/82/94/556278294.db2.gz JCGZIXLJLVJHLT-LJQANCHMSA-N 0 0 442.903 3.039 50 0 IGAARN Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000013688754 556278364 /nfs/dbraw/zinc/27/83/64/556278364.db2.gz JCGZIXLJLVJHLT-IBGZPJMESA-N 0 0 442.903 3.039 50 0 IGAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)N3CCC(C(N)=O)CC3)cc1)c2=O ZINC000013688987 556278600 /nfs/dbraw/zinc/27/86/00/556278600.db2.gz HPHNYEIDAWIYMB-UHFFFAOYSA-N 0 0 436.464 3.240 50 0 IGAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000013689526 556278930 /nfs/dbraw/zinc/27/89/30/556278930.db2.gz SDNFUDVTWMGUHG-UHFFFAOYSA-N 0 0 443.507 3.004 50 0 IGAARN Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000013693304 556282951 /nfs/dbraw/zinc/28/29/51/556282951.db2.gz LCEBKDLQVHEZST-IBGZPJMESA-N 0 0 426.904 3.317 50 0 IGAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1nc3ccccc3c(=O)[nH]1)C(C)C)C2=O ZINC000032731034 556283277 /nfs/dbraw/zinc/28/32/77/556283277.db2.gz AYGJUDHLMOCXBR-UHFFFAOYSA-N 0 0 446.507 3.045 50 0 IGAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccccc1Cl ZINC000009339654 556283402 /nfs/dbraw/zinc/28/34/02/556283402.db2.gz ANENLLUJFMXJCE-OXRZLYTFSA-N 0 0 442.899 3.201 50 0 IGAARN COc1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013718900 556288649 /nfs/dbraw/zinc/28/86/49/556288649.db2.gz BKUCZPMXGLWCKR-KRWDZBQOSA-N 0 0 441.509 3.179 50 0 IGAARN COc1cc(C)cc2oc(=O)c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c12 ZINC000009429875 556291315 /nfs/dbraw/zinc/29/13/15/556291315.db2.gz HKMGMOZPUGQJKF-UHFFFAOYSA-N 0 0 447.491 3.397 50 0 IGAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)[C@H]1CCCO1 ZINC000013723337 556291629 /nfs/dbraw/zinc/29/16/29/556291629.db2.gz CPJPIVRDACYYGG-LJQANCHMSA-N 0 0 434.558 3.400 50 0 IGAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000009442188 556292167 /nfs/dbraw/zinc/29/21/67/556292167.db2.gz NQNCVKXSKPJQCX-CVEARBPZSA-N 0 0 447.557 3.017 50 0 IGAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000009489232 556294898 /nfs/dbraw/zinc/29/48/98/556294898.db2.gz POBPECXKDMVSCU-AWEZNQCLSA-N 0 0 445.903 3.468 50 0 IGAARN COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000013732568 556296054 /nfs/dbraw/zinc/29/60/54/556296054.db2.gz HGAWNLSRCGQUQF-MRXNPFEDSA-N 0 0 441.509 3.179 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1 ZINC000013739148 556298152 /nfs/dbraw/zinc/29/81/52/556298152.db2.gz RTLVPAJKTJTATR-IWBOAXGBSA-N 0 0 430.529 3.463 50 0 IGAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000032740516 556301769 /nfs/dbraw/zinc/30/17/69/556301769.db2.gz ILLADXHKKGFSAD-UHFFFAOYSA-N 0 0 442.541 3.325 50 0 IGAARN CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1S(=O)(=O)N(C)C ZINC000032744719 556304822 /nfs/dbraw/zinc/30/48/22/556304822.db2.gz WDPNEFMSGVXGDY-UHFFFAOYSA-N 0 0 428.514 3.148 50 0 IGAARN C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032736241 556306067 /nfs/dbraw/zinc/30/60/67/556306067.db2.gz MUNWPQGFJJHICG-JTQLQIEISA-N 0 0 430.454 3.196 50 0 IGAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3Cc2cccc(C)c2)C1 ZINC000009830507 556311047 /nfs/dbraw/zinc/31/10/47/556311047.db2.gz DGVMOARLCNPRBL-UHFFFAOYSA-N 0 0 445.544 3.475 50 0 IGAARN CCCn1c2sc3c(c2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O)CCN(C(C)=O)C3 ZINC000009830546 556311324 /nfs/dbraw/zinc/31/13/24/556311324.db2.gz BTCSSDCJDRQBOA-UHFFFAOYSA-N 0 0 435.908 3.321 50 0 IGAARN Cc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 ZINC000009830928 556311954 /nfs/dbraw/zinc/31/19/54/556311954.db2.gz JLIGYCHWUCLOFB-UHFFFAOYSA-N 0 0 432.455 3.001 50 0 IGAARN CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)cc1 ZINC000009830939 556311992 /nfs/dbraw/zinc/31/19/92/556311992.db2.gz WYDIPSBKIDWYFS-UHFFFAOYSA-N 0 0 448.910 3.461 50 0 IGAARN O[C@@H](COC[C@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000032751062 556313072 /nfs/dbraw/zinc/31/30/72/556313072.db2.gz PYMIDKUGDTUOQI-RBUKOAKNSA-N 0 0 430.505 3.117 50 0 IGAARN COc1cccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 ZINC000009850152 556313877 /nfs/dbraw/zinc/31/38/77/556313877.db2.gz ROLHIQHKMMNRJA-JOCHJYFZSA-N 0 0 443.455 3.329 50 0 IGAARN CN(CCOc1ccc(Br)cc1)C(=O)CSc1nnnn1-c1ccccc1 ZINC000032745076 556314430 /nfs/dbraw/zinc/31/44/30/556314430.db2.gz NCGLDUJNBOHSHJ-UHFFFAOYSA-N 0 0 448.346 3.054 50 0 IGAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccccc3Cl)C2)c1 ZINC000065059435 556317284 /nfs/dbraw/zinc/31/72/84/556317284.db2.gz LBGKCUMZBKLXMF-OAQYLSRUSA-N 0 0 436.961 3.456 50 0 IGAARN CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2nc3ccccc3nc21 ZINC000032760630 556320832 /nfs/dbraw/zinc/32/08/32/556320832.db2.gz JNEJESFHKBRBDW-INIZCTEOSA-N 0 0 435.553 3.417 50 0 IGAARN COc1cc(SC)ccc1C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 ZINC000013856305 556320851 /nfs/dbraw/zinc/32/08/51/556320851.db2.gz HDUYDYQYVBVNHV-UHFFFAOYSA-N 0 0 435.552 3.495 50 0 IGAARN O=C(NCc1ccccc1)NC1(C(=O)NCc2ccccc2Cn2ccnc2)CCCC1 ZINC000032754680 556324039 /nfs/dbraw/zinc/32/40/39/556324039.db2.gz XXUFJQPUFDDJDQ-UHFFFAOYSA-N 0 0 431.540 3.360 50 0 IGAARN Cc1cccc(-n2c(SC[C@H]3CN=C(c4ccccc4)O3)nnc2N2CCOCC2)c1 ZINC000032777208 556328674 /nfs/dbraw/zinc/32/86/74/556328674.db2.gz XBTOCPIPORENFI-HXUWFJFHSA-N 0 0 435.553 3.350 50 0 IGAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1OC ZINC000010297126 556330098 /nfs/dbraw/zinc/33/00/98/556330098.db2.gz PQNFSYWBBXEBFL-GOSISDBHSA-N 0 0 437.847 3.201 50 0 IGAARN Cc1cccc(N2CCN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)CC2)c1 ZINC000032778037 556331223 /nfs/dbraw/zinc/33/12/23/556331223.db2.gz FQQYVVQPCXJFQT-UHFFFAOYSA-N 0 0 425.533 3.238 50 0 IGAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cnc2n(c1=O)CCS2 ZINC000032768905 556333429 /nfs/dbraw/zinc/33/34/29/556333429.db2.gz HANMPJHRHPHZNO-UHFFFAOYSA-N 0 0 443.960 3.136 50 0 IGAARN COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccccc3O)C2=O)cc1OC ZINC000013943695 556340938 /nfs/dbraw/zinc/34/09/38/556340938.db2.gz XTLRGIQIZAQSPJ-XMHGGMMESA-N 0 0 443.459 3.384 50 0 IGAARN CCOC(=O)CN1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064452013 556341401 /nfs/dbraw/zinc/34/14/01/556341401.db2.gz XTVCNIPCCRAIMM-UHFFFAOYSA-N 0 0 442.589 3.353 50 0 IGAARN COCCCN1C(=O)C[C@@](CC(=O)NCCc2ccc(Cl)cc2)(c2ccccc2)C1=O ZINC000011787270 556354165 /nfs/dbraw/zinc/35/41/65/556354165.db2.gz XSMZHGWSEABOEM-DEOSSOPVSA-N 0 0 442.943 3.122 50 0 IGAARN COc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000014009859 556354402 /nfs/dbraw/zinc/35/44/02/556354402.db2.gz ZPIIKAUVSKZDMO-LZYBPNLTSA-N 0 0 429.860 3.197 50 0 IGAARN CCS(=O)(=O)c1ncc(CN(CCO)Cc2cccs2)n1CCCc1ccccc1 ZINC000011819893 556362023 /nfs/dbraw/zinc/36/20/23/556362023.db2.gz RWZNWQWKXHEFEE-UHFFFAOYSA-N 0 0 447.626 3.366 50 0 IGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)C1 ZINC000014083126 556363302 /nfs/dbraw/zinc/36/33/02/556363302.db2.gz HHLGYFPEFLCUSF-MRXNPFEDSA-N 0 0 448.516 3.350 50 0 IGAARN Cc1nn(-c2ccccc2)nc1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000014084738 556364251 /nfs/dbraw/zinc/36/42/51/556364251.db2.gz OXRXWIQNVJWWCW-UHFFFAOYSA-N 0 0 428.290 3.015 50 0 IGAARN CCCCNS(=O)(=O)c1ccc2[nH]c(S[C@H](C)C(=O)NCc3ccccc3)nc2c1 ZINC000014094742 556366607 /nfs/dbraw/zinc/36/66/07/556366607.db2.gz NMDGHDJRVVZEAH-OAHLLOKOSA-N 0 0 446.598 3.438 50 0 IGAARN C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000014095918 556367796 /nfs/dbraw/zinc/36/77/96/556367796.db2.gz VYEGBYFBVNZZTM-FUHWJXTLSA-N 0 0 443.594 3.063 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCN1S(=O)(=O)c1ccccc1Cl ZINC000014101815 556368166 /nfs/dbraw/zinc/36/81/66/556368166.db2.gz RTAAGUOSOUCHOM-ZDUSSCGKSA-N 0 0 449.381 3.077 50 0 IGAARN C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011871156 556369045 /nfs/dbraw/zinc/36/90/45/556369045.db2.gz ZIDZETYQLSMMGV-CYBMUJFWSA-N 0 0 447.436 3.384 50 0 IGAARN O=C(Nc1ccccc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000014128730 556373796 /nfs/dbraw/zinc/37/37/96/556373796.db2.gz OLCXQCFEYAZTCS-UHFFFAOYSA-N 0 0 435.549 3.445 50 0 IGAARN CCn1c(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)nnc1-c1ccco1 ZINC000014129353 556374485 /nfs/dbraw/zinc/37/44/85/556374485.db2.gz KNLOZKKQAFXWJB-UHFFFAOYSA-N 0 0 425.514 3.093 50 0 IGAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000014134923 556374780 /nfs/dbraw/zinc/37/47/80/556374780.db2.gz ZUJBSHKIDTVUJR-UHFFFAOYSA-N 0 0 448.475 3.071 50 0 IGAARN CCc1nc2cc(N)cc(C(=O)NCc3cnn(Cc4ccccc4)c3)c2n1CCCOC ZINC000011911545 556375334 /nfs/dbraw/zinc/37/53/34/556375334.db2.gz SYMCEZMHHYFCBX-UHFFFAOYSA-N 0 0 446.555 3.392 50 0 IGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C2CC2)C2CCCCC2)CC1 ZINC000032800784 556375514 /nfs/dbraw/zinc/37/55/14/556375514.db2.gz FMYHZLHZGCZWLW-UHFFFAOYSA-N 0 0 448.585 3.198 50 0 IGAARN C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 ZINC000011912549 556375635 /nfs/dbraw/zinc/37/56/35/556375635.db2.gz PRJSADOBTAGPFU-HCJXQIAPSA-N 0 0 438.553 3.295 50 0 IGAARN CCCS(=O)(=O)c1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1C[C@@H]1CCCO1 ZINC000011935075 556377862 /nfs/dbraw/zinc/37/78/62/556377862.db2.gz SRHHXHZBQWQVKQ-FQEVSTJZSA-N 0 0 448.564 3.498 50 0 IGAARN CCn1ccnc1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011935716 556378311 /nfs/dbraw/zinc/37/83/11/556378311.db2.gz MNCXKLSXYRDZNW-UHFFFAOYSA-N 0 0 430.556 3.382 50 0 IGAARN O=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000014182465 556382871 /nfs/dbraw/zinc/38/28/71/556382871.db2.gz BNTQHTIJNNEFQQ-UHFFFAOYSA-N 0 0 429.007 3.451 50 0 IGAARN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(Br)cc1 ZINC000014185639 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C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4cccnc43)cc2)C[C@@H](C)O1 ZINC000013108468 556462369 /nfs/dbraw/zinc/46/23/69/556462369.db2.gz DJPJHIBSRUCLFJ-HZPDHXFCSA-N 0 0 425.510 3.285 50 0 IGAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000013110174 556464212 /nfs/dbraw/zinc/46/42/12/556464212.db2.gz AMLBQMOQHHJCGC-JNCPLXCYSA-N 0 0 432.586 3.090 50 0 IGAARN COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(-n4cnnn4)cc3)cc2)cc1 ZINC000013112621 556465208 /nfs/dbraw/zinc/46/52/08/556465208.db2.gz JCEBYWMDCRTOQR-UHFFFAOYSA-N 0 0 429.436 3.280 50 0 IGAARN CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000013112574 556465247 /nfs/dbraw/zinc/46/52/47/556465247.db2.gz XSEFBMBHKNCDNU-LSRZYVKLSA-N 0 0 430.545 3.085 50 0 IGAARN Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2nnc3ccccn32)nn1-c1ccccc1Cl ZINC000029075980 556466607 /nfs/dbraw/zinc/46/66/07/556466607.db2.gz UAAGKJFXQHXECA-KRWDZBQOSA-N 0 0 434.887 3.214 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2c2nnc3ccccn32)c1 ZINC000029073464 556466659 /nfs/dbraw/zinc/46/66/59/556466659.db2.gz SBICJAKIMRMKJL-IBGZPJMESA-N 0 0 441.557 3.046 50 0 IGAARN COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC ZINC000013114641 556467107 /nfs/dbraw/zinc/46/71/07/556467107.db2.gz DMDCQLUDAAASQY-UHFFFAOYSA-N 0 0 430.979 3.234 50 0 IGAARN O=C1c2cccc(N3CCN(C/C=C/c4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000014972926 556467374 /nfs/dbraw/zinc/46/73/74/556467374.db2.gz JKFQSLSWHDHNTJ-OWLMGLOSSA-N 0 0 431.536 3.297 50 0 IGAARN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN1CCC[C@H](CO)C1 ZINC000014972010 556467480 /nfs/dbraw/zinc/46/74/80/556467480.db2.gz FMBFTDRIBYNWDX-HNNXBMFYSA-N 0 0 428.920 3.455 50 0 IGAARN COc1ccc(Br)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000013114997 556467586 /nfs/dbraw/zinc/46/75/86/556467586.db2.gz ZYRYXLNLWAVJJL-UHFFFAOYSA-N 0 0 439.331 3.495 50 0 IGAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1N1CCOCC1 ZINC000029117726 556467799 /nfs/dbraw/zinc/46/77/99/556467799.db2.gz VHVASQIIYGRWSR-UHFFFAOYSA-N 0 0 431.518 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556472326 /nfs/dbraw/zinc/47/23/26/556472326.db2.gz RDWIQUVTHUCITN-GOSISDBHSA-N 0 0 438.509 3.181 50 0 IGAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000029331639 556472596 /nfs/dbraw/zinc/47/25/96/556472596.db2.gz PFFOIKSNHBTVNK-UHFFFAOYSA-N 0 0 431.422 3.227 50 0 IGAARN Cn1c(CCNC(=O)Cc2cccc(C(F)(F)F)c2)nnc1SC[C@@H]1CCCO1 ZINC000014986946 556473025 /nfs/dbraw/zinc/47/30/25/556473025.db2.gz WZKGKZGCVANAOQ-HNNXBMFYSA-N 0 0 428.480 3.006 50 0 IGAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000013122410 556474804 /nfs/dbraw/zinc/47/48/04/556474804.db2.gz XDDPXSHALMGOJN-IBGZPJMESA-N 0 0 436.468 3.293 50 0 IGAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000029469902 556476206 /nfs/dbraw/zinc/47/62/06/556476206.db2.gz LZCGTOUNFJVFQC-UHFFFAOYSA-N 0 0 436.493 3.125 50 0 IGAARN Cc1cc(=O)c(C(=O)NCc2cccnc2)c(CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000014995084 556477252 /nfs/dbraw/zinc/47/72/52/556477252.db2.gz IONZIQUXMZIHHL-JOCHJYFZSA-N 0 0 431.536 3.446 50 0 IGAARN CCCCCNC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000013130855 556480117 /nfs/dbraw/zinc/48/01/17/556480117.db2.gz HIRNAXAJHFGWKG-GOSISDBHSA-N 0 0 430.574 3.419 50 0 IGAARN Cc1nonc1CN(C)[C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 ZINC000015003994 556480990 /nfs/dbraw/zinc/48/09/90/556480990.db2.gz DRMHWUOOHIQNIM-KRWDZBQOSA-N 0 0 435.553 3.495 50 0 IGAARN CC(C)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013134342 556482362 /nfs/dbraw/zinc/48/23/62/556482362.db2.gz JRKMBNCYUHNNER-UHFFFAOYSA-N 0 0 440.466 3.025 50 0 IGAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c2cc1C ZINC000013137175 556484077 /nfs/dbraw/zinc/48/40/77/556484077.db2.gz XVQAUJXVSATJAN-UHFFFAOYSA-N 0 0 448.491 3.195 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000013137438 556484331 /nfs/dbraw/zinc/48/43/31/556484331.db2.gz VAGUEPCIQPXXFF-CALCHBBNSA-N 0 0 446.569 3.300 50 0 IGAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)cc1F ZINC000013137285 556484335 /nfs/dbraw/zinc/48/43/35/556484335.db2.gz WRUCSRGEKJAGKI-UHFFFAOYSA-N 0 0 440.468 3.025 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CCCCC3)n1N)CCC2 ZINC000013137403 556484424 /nfs/dbraw/zinc/48/44/24/556484424.db2.gz NJYPCXQZKUZLCM-UHFFFAOYSA-N 0 0 435.575 3.107 50 0 IGAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1S(N)(=O)=O ZINC000013138126 556485048 /nfs/dbraw/zinc/48/50/48/556485048.db2.gz QTTKNGKQUNAVSB-UHFFFAOYSA-N 0 0 442.522 3.304 50 0 IGAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)NC1CCCC1 ZINC000013145598 556487754 /nfs/dbraw/zinc/48/77/54/556487754.db2.gz CQJSOCMEYBSLAK-AWEZNQCLSA-N 0 0 434.489 3.231 50 0 IGAARN CS(=O)(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 ZINC000030231332 556492099 /nfs/dbraw/zinc/49/20/99/556492099.db2.gz BCWPOAXNVKGMTR-UHFFFAOYSA-N 0 0 439.472 3.426 50 0 IGAARN CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000030274144 556492302 /nfs/dbraw/zinc/49/23/02/556492302.db2.gz JMZXFQOETGAFNS-MAUKXSAKSA-N 0 0 447.532 3.062 50 0 IGAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015066809 556492925 /nfs/dbraw/zinc/49/29/25/556492925.db2.gz PCQFDTJDWGKJAW-UHFFFAOYSA-N 0 0 436.556 3.341 50 0 IGAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000015067965 556493869 /nfs/dbraw/zinc/49/38/69/556493869.db2.gz LOAKEAKZRJYJNY-UHFFFAOYSA-N 0 0 430.556 3.293 50 0 IGAARN CC(C)CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013163539 556493997 /nfs/dbraw/zinc/49/39/97/556493997.db2.gz GZGDWRJHZXIEEZ-UHFFFAOYSA-N 0 0 432.542 3.385 50 0 IGAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000013164071 556495401 /nfs/dbraw/zinc/49/54/01/556495401.db2.gz GACQFKDRQCPXPP-LJQANCHMSA-N 0 0 441.487 3.357 50 0 IGAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013164361 556496488 /nfs/dbraw/zinc/49/64/88/556496488.db2.gz WULQCFQIOLOEPQ-UHFFFAOYSA-N 0 0 439.537 3.341 50 0 IGAARN Cc1sc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)nc1-c1ccc(F)c(F)c1 ZINC000030605939 556499389 /nfs/dbraw/zinc/49/93/89/556499389.db2.gz JJGWNJLFUKQBPI-KRWDZBQOSA-N 0 0 441.463 3.455 50 0 IGAARN c1ccc2c(c1)OC[C@@H](CNc1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)O2 ZINC000030619478 556500098 /nfs/dbraw/zinc/50/00/98/556500098.db2.gz FJWWSXJHZFZVBL-OAHLLOKOSA-N 0 0 438.553 3.264 50 0 IGAARN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cnc(SC)nc2)CC1 ZINC000015078959 556500250 /nfs/dbraw/zinc/50/02/50/556500250.db2.gz RSJLMCKYAYWIOP-UHFFFAOYSA-N 0 0 428.558 3.143 50 0 IGAARN CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(=O)[nH]1 ZINC000032878802 556502242 /nfs/dbraw/zinc/50/22/42/556502242.db2.gz JNBOQWIJSNPUSL-UHFFFAOYSA-N 0 0 443.554 3.453 50 0 IGAARN COc1ccccc1[C@@H]1O[C@@H](C)Cn2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000015085359 556502260 /nfs/dbraw/zinc/50/22/60/556502260.db2.gz RPRHSVGXSKLXJD-WNSKOXEYSA-N 0 0 431.492 3.222 50 0 IGAARN COCCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000013402690 556504462 /nfs/dbraw/zinc/50/44/62/556504462.db2.gz DSXUGXGBVUXNEO-UHFFFAOYSA-N 0 0 430.448 3.053 50 0 IGAARN Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015122858 556504993 /nfs/dbraw/zinc/50/49/93/556504993.db2.gz HGAAQAAQYPNSNU-UHFFFAOYSA-N 0 0 441.528 3.232 50 0 IGAARN COc1cc(CCNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000015135456 556505857 /nfs/dbraw/zinc/50/58/57/556505857.db2.gz NKDUUGOSOILMSA-UHFFFAOYSA-N 0 0 447.887 3.473 50 0 IGAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000013533307 556512930 /nfs/dbraw/zinc/51/29/30/556512930.db2.gz UYOTWKZQTDHUIK-UHFFFAOYSA-N 0 0 439.468 3.059 50 0 IGAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C(C)C)c1 ZINC000032889219 556513985 /nfs/dbraw/zinc/51/39/85/556513985.db2.gz XGDGJWKRZKPZDR-SZNDQCEHSA-N 0 0 428.485 3.064 50 0 IGAARN COc1ccc([C@H](CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2c[nH]c3ccccc32)cc1 ZINC000032895512 556515149 /nfs/dbraw/zinc/51/51/49/556515149.db2.gz 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COc1cccc(NC(=O)[C@@H](NCc2ccc(N3CCOCC3)nc2)c2ccccc2)c1 ZINC000032891463 556519204 /nfs/dbraw/zinc/51/92/04/556519204.db2.gz VBBBZAXCKYPYFD-DEOSSOPVSA-N 0 0 432.524 3.396 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000032892983 556520420 /nfs/dbraw/zinc/52/04/20/556520420.db2.gz GHTUBORWRGAGSU-UHFFFAOYSA-N 0 0 428.554 3.199 50 0 IGAARN COc1ccc(O[C@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000032893086 556520788 /nfs/dbraw/zinc/52/07/88/556520788.db2.gz HZJCUIPWMFOHFZ-QGZVFWFLSA-N 0 0 444.553 3.226 50 0 IGAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)nc2ncccc2c1=O ZINC000032893435 556521033 /nfs/dbraw/zinc/52/10/33/556521033.db2.gz BYXKTJDMKJTJRR-CQSZACIVSA-N 0 0 440.525 3.146 50 0 IGAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc(C(C)C)n1 ZINC000015357410 556522828 /nfs/dbraw/zinc/52/28/28/556522828.db2.gz NMPRDRHRRIHUHE-UHFFFAOYSA-N 0 0 444.479 3.318 50 0 IGAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 ZINC000013574147 556524391 /nfs/dbraw/zinc/52/43/91/556524391.db2.gz ORHXXDFYIYTTIC-RGEXLXHISA-N 0 0 426.494 3.186 50 0 IGAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000015403421 556524510 /nfs/dbraw/zinc/52/45/10/556524510.db2.gz NAYWMTXTWKOQRA-UHFFFAOYSA-N 0 0 448.493 3.246 50 0 IGAARN Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)n1C ZINC000015407844 556524849 /nfs/dbraw/zinc/52/48/49/556524849.db2.gz CNZAVOWJOUZDMG-UHFFFAOYSA-N 0 0 444.384 3.138 50 0 IGAARN Cc1ccc(CSc2nn3c(nc4c(c3=O)CN(C[C@H]3CCCO3)CC4)s2)cc1 ZINC000015414314 556526465 /nfs/dbraw/zinc/52/64/65/556526465.db2.gz HJXDVVLNXKNFIQ-MRXNPFEDSA-N 0 0 428.583 3.289 50 0 IGAARN O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)NCCc1ccc(Cl)cc1 ZINC000013591955 556530104 /nfs/dbraw/zinc/53/01/04/556530104.db2.gz OZOKYDMSYSVHFY-UHFFFAOYSA-N 0 0 438.940 3.469 50 0 IGAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)o2)c(OC)cc1Cl ZINC000013593246 556531269 /nfs/dbraw/zinc/53/12/69/556531269.db2.gz RSLAXILMGAIMSU-QGZVFWFLSA-N 0 0 430.852 3.173 50 0 IGAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000013624855 556536667 /nfs/dbraw/zinc/53/66/67/556536667.db2.gz ILCCBPINYPTFDC-UHFFFAOYSA-N 0 0 438.915 3.355 50 0 IGAARN CCN(CC)C(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 ZINC000032719195 556537069 /nfs/dbraw/zinc/53/70/69/556537069.db2.gz DGLLIUPCRGYYJE-UHFFFAOYSA-N 0 0 439.581 3.308 50 0 IGAARN CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4cccc(Cl)c4)NN32)cc1OC ZINC000004574560 556540235 /nfs/dbraw/zinc/54/02/35/556540235.db2.gz JYUOQGLUKGPCCU-IBGZPJMESA-N 0 0 439.903 3.184 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000032722849 556548016 /nfs/dbraw/zinc/54/80/16/556548016.db2.gz DENUXQVBVKGXFP-WIYYLYMNSA-N 0 0 446.569 3.109 50 0 IGAARN Cn1ccnc1[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1F ZINC000032905100 556550137 /nfs/dbraw/zinc/55/01/37/556550137.db2.gz GNUMKJZVARYMBH-HSZRJFAPSA-N 0 0 433.487 3.182 50 0 IGAARN Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015778376 556550641 /nfs/dbraw/zinc/55/06/41/556550641.db2.gz CQOSHPZYEZUFSI-UHFFFAOYSA-N 0 0 431.496 3.088 50 0 IGAARN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCc1cccc(Cl)c1)c(=O)n2C ZINC000015779977 556551488 /nfs/dbraw/zinc/55/14/88/556551488.db2.gz CEVFTYGOZWJQBI-UHFFFAOYSA-N 0 0 435.915 3.330 50 0 IGAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c(OC)c1 ZINC000015830027 556554709 /nfs/dbraw/zinc/55/47/09/556554709.db2.gz JGZIXILBRSWGLC-HXUWFJFHSA-N 0 0 432.542 3.368 50 0 IGAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115307 556554871 /nfs/dbraw/zinc/55/48/71/556554871.db2.gz LTWYYBRXFTVDBD-FQEVSTJZSA-N 0 0 428.554 3.377 50 0 IGAARN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000013678599 556555515 /nfs/dbraw/zinc/55/55/15/556555515.db2.gz RAZPYSBTCQVQLI-UHFFFAOYSA-N 0 0 435.549 3.445 50 0 IGAARN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nncc(-c2ccccc2)n1 ZINC000072305783 556556486 /nfs/dbraw/zinc/55/64/86/556556486.db2.gz 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Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016000243 556572422 /nfs/dbraw/zinc/57/24/22/556572422.db2.gz DMLNYBOCYBNNON-FAODYONGSA-N 0 0 439.874 3.219 50 0 IGAARN CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 ZINC000032909548 556573878 /nfs/dbraw/zinc/57/38/78/556573878.db2.gz UNZGSPKSZRKMSK-BBRMVZONSA-N 0 0 432.318 3.436 50 0 IGAARN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000072310407 556576145 /nfs/dbraw/zinc/57/61/45/556576145.db2.gz OPDXLNJDZROVEY-CQSZACIVSA-N 0 0 440.447 3.074 50 0 IGAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016046419 556580379 /nfs/dbraw/zinc/58/03/79/556580379.db2.gz MFVZLYXIBMYOIG-ZDUSSCGKSA-N 0 0 449.492 3.047 50 0 IGAARN COC(=O)c1ccc(COC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000016050938 556581267 /nfs/dbraw/zinc/58/12/67/556581267.db2.gz YNKRWRDMRGANCW-ZHZULCJRSA-N 0 0 430.420 3.461 50 0 IGAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000032911108 556582187 /nfs/dbraw/zinc/58/21/87/556582187.db2.gz FCIINHNKZBZLMJ-HSZRJFAPSA-N 0 0 444.535 3.112 50 0 IGAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cnc2sccn2c1=O ZINC000016111735 556583614 /nfs/dbraw/zinc/58/36/14/556583614.db2.gz KRZIAGSCMFWWJI-UHFFFAOYSA-N 0 0 434.852 3.345 50 0 IGAARN COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000016116052 556584125 /nfs/dbraw/zinc/58/41/25/556584125.db2.gz UCBWOFROUWUNKO-UHFFFAOYSA-N 0 0 431.341 3.127 50 0 IGAARN COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000034872868 556585097 /nfs/dbraw/zinc/58/50/97/556585097.db2.gz NOPDZLMLJITFPB-INIZCTEOSA-N 0 0 427.570 3.420 50 0 IGAARN CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000034878976 556585312 /nfs/dbraw/zinc/58/53/12/556585312.db2.gz QVIPDDQHNGCYJT-AWEZNQCLSA-N 0 0 443.345 3.385 50 0 IGAARN COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c(OC)c1 ZINC000016215519 556591569 /nfs/dbraw/zinc/59/15/69/556591569.db2.gz GPZALCZAOSDDQE-UHFFFAOYSA-N 0 0 432.420 3.127 50 0 IGAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)C ZINC000016226920 556593097 /nfs/dbraw/zinc/59/30/97/556593097.db2.gz PGNGNKZZBRGUFU-UHFFFAOYSA-N 0 0 428.514 3.257 50 0 IGAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1N1CCCC1=O ZINC000016261656 556595114 /nfs/dbraw/zinc/59/51/14/556595114.db2.gz MYNMAOWXUFOGJA-UHFFFAOYSA-N 0 0 436.537 3.492 50 0 IGAARN C[C@H]1CCCN(C(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)c2=O)C1 ZINC000032977770 556600654 /nfs/dbraw/zinc/60/06/54/556600654.db2.gz JWXCBFDPPNDSAD-INIZCTEOSA-N 0 0 425.916 3.123 50 0 IGAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc1Cl ZINC000016325650 556600799 /nfs/dbraw/zinc/60/07/99/556600799.db2.gz VHKNBGQRUZCEEK-JQWIXIFHSA-N 0 0 447.007 3.027 50 0 IGAARN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3Br)ccc21 ZINC000032983315 556601883 /nfs/dbraw/zinc/60/18/83/556601883.db2.gz SMGYOIXGIAYGNN-UHFFFAOYSA-N 0 0 430.306 3.233 50 0 IGAARN COCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000037400947 556602954 /nfs/dbraw/zinc/60/29/54/556602954.db2.gz MJCUBZKWJOIDSY-UHFFFAOYSA-N 0 0 445.493 3.231 50 0 IGAARN O=C(CNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1cccnc1 ZINC000037426083 556603616 /nfs/dbraw/zinc/60/36/16/556603616.db2.gz AJEQYKYGEORLJK-UHFFFAOYSA-N 0 0 435.431 3.347 50 0 IGAARN Cc1ccc(-c2ncc(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)s2)c(C)c1 ZINC000060276066 556605513 /nfs/dbraw/zinc/60/55/13/556605513.db2.gz QBDVAMVFBNIXTR-UHFFFAOYSA-N 0 0 449.580 3.291 50 0 IGAARN COc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000032987163 556606978 /nfs/dbraw/zinc/60/69/78/556606978.db2.gz DDWGUIVFWOMTMK-UHFFFAOYSA-N 0 0 446.529 3.488 50 0 IGAARN Cc1noc(C)c1CCNC(=O)CSCc1nnc(C(=O)Nc2ccccc2C)s1 ZINC000032987324 556607246 /nfs/dbraw/zinc/60/72/46/556607246.db2.gz DFZGYSDHGVBLGU-UHFFFAOYSA-N 0 0 445.570 3.296 50 0 IGAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CSc1nc(SC)ns1 ZINC000016447744 556608090 /nfs/dbraw/zinc/60/80/90/556608090.db2.gz XCNDSNCNSDFLJC-UHFFFAOYSA-N 0 0 435.556 3.353 50 0 IGAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3cccc(OC)c3)s2)cc1 ZINC000032987793 556608231 /nfs/dbraw/zinc/60/82/31/556608231.db2.gz QYCJMALYPVIHJH-UHFFFAOYSA-N 0 0 440.525 3.447 50 0 IGAARN COc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987244 556609540 /nfs/dbraw/zinc/60/95/40/556609540.db2.gz YKPWIIMYLBWJHD-UHFFFAOYSA-N 0 0 446.529 3.488 50 0 IGAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)c1cccs1 ZINC000016472474 556609696 /nfs/dbraw/zinc/60/96/96/556609696.db2.gz HLPJZPSBPIJDFX-UHFFFAOYSA-N 0 0 449.598 3.402 50 0 IGAARN O=C1c2ccccc2C(=O)N1C=C(O)n1nc(-c2ccco2)nc1NCc1cccs1 ZINC000016474608 556609914 /nfs/dbraw/zinc/60/99/14/556609914.db2.gz LACQJBHUMYJIGT-UHFFFAOYSA-N 0 0 433.449 3.148 50 0 IGAARN COc1ccc([C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c2nccn2C)cc1 ZINC000016474737 556610220 /nfs/dbraw/zinc/61/02/20/556610220.db2.gz HAENLLLSMZQQJI-GOSISDBHSA-N 0 0 433.917 3.005 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000016475446 556610371 /nfs/dbraw/zinc/61/03/71/556610371.db2.gz XGVCLPYFKBMHFL-UHFFFAOYSA-N 0 0 430.526 3.327 50 0 IGAARN Cc1ccccc1NC(=O)N1CCN(c2cc(=O)n3nc(-c4ccco4)sc3n2)CC1 ZINC000032996187 556611443 /nfs/dbraw/zinc/61/14/43/556611443.db2.gz KEFXYSDTXAKOSE-UHFFFAOYSA-N 0 0 436.497 3.074 50 0 IGAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccccc2)c1 ZINC000016547184 556614690 /nfs/dbraw/zinc/61/46/90/556614690.db2.gz DTYQXCCMXNOMPG-UHFFFAOYSA-N 0 0 441.484 3.099 50 0 IGAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000100563724 556620710 /nfs/dbraw/zinc/62/07/10/556620710.db2.gz VCFSAPQHUUBITR-NVXWUHKLSA-N 0 0 432.263 3.291 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(C)cc3)c(O)c12 ZINC000100563739 556620757 /nfs/dbraw/zinc/62/07/57/556620757.db2.gz HCFSDELSXXTONQ-WMZOPIPTSA-N 0 0 426.270 3.081 50 0 IGAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCc2ccc(C(C)(C)C)cc2)CC1 ZINC000016680169 556623441 /nfs/dbraw/zinc/62/34/41/556623441.db2.gz BAXXXJJVNBOYGD-UHFFFAOYSA-N 0 0 433.574 3.468 50 0 IGAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000016681185 556623830 /nfs/dbraw/zinc/62/38/30/556623830.db2.gz OBPLDCMUPRAKDM-UHFFFAOYSA-N 0 0 432.505 3.117 50 0 IGAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000016684617 556625134 /nfs/dbraw/zinc/62/51/34/556625134.db2.gz LQSNFQOSXWSSMZ-XVTZWQNCSA-N 0 0 437.544 3.186 50 0 IGAARN Cc1cc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)n1C(C)C ZINC000016685030 556625515 /nfs/dbraw/zinc/62/55/15/556625515.db2.gz NDCXDQSILRQWIS-LJQANCHMSA-N 0 0 432.542 3.063 50 0 IGAARN Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCCC5)nc4C)cc(=O)[nH]3)nc2c1 ZINC000039383755 556628412 /nfs/dbraw/zinc/62/84/12/556628412.db2.gz QPEJWLBQQHODKS-UHFFFAOYSA-N 0 0 428.500 3.439 50 0 IGAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000039455388 556629141 /nfs/dbraw/zinc/62/91/41/556629141.db2.gz MKYKFCRCTSTVGC-NRFANRHFSA-N 0 0 435.480 3.306 50 0 IGAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000016699474 556629485 /nfs/dbraw/zinc/62/94/85/556629485.db2.gz ZRAFLGYHQHQUPZ-UHFFFAOYSA-N 0 0 435.871 3.360 50 0 IGAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000033794505 556635736 /nfs/dbraw/zinc/63/57/36/556635736.db2.gz XZIWRVDZTJVJGD-UHFFFAOYSA-N 0 0 426.450 3.385 50 0 IGAARN CCCCOc1cccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)c1 ZINC000016742059 556635815 /nfs/dbraw/zinc/63/58/15/556635815.db2.gz SFRBSHNUJLYKTI-KYYPIKSYSA-N 0 0 435.505 3.390 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[C@H]1CCCO1 ZINC000016752154 556637796 /nfs/dbraw/zinc/63/77/96/556637796.db2.gz LYJVEOZTXXIILY-BZQUYTCOSA-N 0 0 448.450 3.177 50 0 IGAARN Cc1ccccc1C(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040395860 556638476 /nfs/dbraw/zinc/63/84/76/556638476.db2.gz MYXMZJIRIZNQAV-UHFFFAOYSA-N 0 0 430.855 3.452 50 0 IGAARN CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000061535808 556639007 /nfs/dbraw/zinc/63/90/07/556639007.db2.gz SJHRSBALLAPEFZ-SINXNMPMSA-N 0 0 441.528 3.267 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000016756594 556639281 /nfs/dbraw/zinc/63/92/81/556639281.db2.gz YKVSDHFTONNTHR-UHFFFAOYSA-N 0 0 430.498 3.249 50 0 IGAARN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000409414725 556640011 /nfs/dbraw/zinc/64/00/11/556640011.db2.gz VMMBBINILGQGET-JOCHJYFZSA-N 0 0 429.476 3.211 50 0 IGAARN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000409415226 556641724 /nfs/dbraw/zinc/64/17/24/556641724.db2.gz XJPWPPNBGMAUGL-IAGOWNOFSA-N 0 0 440.887 3.419 50 0 IGAARN O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)NCC(F)(F)F ZINC000061565266 556642286 /nfs/dbraw/zinc/64/22/86/556642286.db2.gz JVDNJJSYFUDZLA-UHFFFAOYSA-N 0 0 449.179 3.130 50 0 IGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1nc(Cl)ccc1Cl ZINC000011712693 556643531 /nfs/dbraw/zinc/64/35/31/556643531.db2.gz GOTWLKMXMWWBNB-UHFFFAOYSA-N 0 0 430.675 3.296 50 0 IGAARN C[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000011713029 556643558 /nfs/dbraw/zinc/64/35/58/556643558.db2.gz IPTYURVWSJIEDR-ZDUSSCGKSA-N 0 0 445.463 3.317 50 0 IGAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719442 556644822 /nfs/dbraw/zinc/64/48/22/556644822.db2.gz ZUBPVKDJUHEOBK-CYBMUJFWSA-N 0 0 427.979 3.171 50 0 IGAARN O=C(CSc1nnc2[nH]c(=O)c(-c3ccc(Cl)cc3)nn21)Nc1cccc(F)c1 ZINC000016838796 556645436 /nfs/dbraw/zinc/64/54/36/556645436.db2.gz UWTBKYDEURUOAL-UHFFFAOYSA-N 0 0 430.852 3.003 50 0 IGAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2cccnc2)ccc1=O ZINC000011743802 556649887 /nfs/dbraw/zinc/64/98/87/556649887.db2.gz MAMNHNTXRJPTLG-CYBMUJFWSA-N 0 0 433.295 3.196 50 0 IGAARN C[C@@H](NC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1)c1ccco1 ZINC000011747883 556650305 /nfs/dbraw/zinc/65/03/05/556650305.db2.gz BYPNVRVYVQWVRA-SJORKVTESA-N 0 0 433.578 3.256 50 0 IGAARN COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)c(OC)c1 ZINC000011758578 556653151 /nfs/dbraw/zinc/65/31/51/556653151.db2.gz RYGBCOJBJXAZOU-UHFFFAOYSA-N 0 0 436.497 3.267 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 ZINC000011758626 556653450 /nfs/dbraw/zinc/65/34/50/556653450.db2.gz DTSIUIWYSYEEQU-UHFFFAOYSA-N 0 0 437.460 3.039 50 0 IGAARN O=C(N[C@H]1CCCCNC1=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000071823410 556653467 /nfs/dbraw/zinc/65/34/67/556653467.db2.gz HEMIGFBLTVHIBW-SFHVURJKSA-N 0 0 439.313 3.458 50 0 IGAARN C[C@@H]1CCc2c(sc3ncnc(NCCCN(Cc4cccnc4)S(C)(=O)=O)c32)C1 ZINC000032927015 556656036 /nfs/dbraw/zinc/65/60/36/556656036.db2.gz TWXYDWAYONGVKU-OAHLLOKOSA-N 0 0 445.614 3.475 50 0 IGAARN NC(=O)c1ccc(NC(=O)CCCSc2ccc(NC(=O)c3cccs3)nn2)cc1 ZINC000011794211 556656222 /nfs/dbraw/zinc/65/62/22/556656222.db2.gz IQLGPNPFASKVIE-UHFFFAOYSA-N 0 0 441.538 3.400 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000011835242 556659675 /nfs/dbraw/zinc/65/96/75/556659675.db2.gz DCUFVMBYLIKKEU-UHFFFAOYSA-N 0 0 436.559 3.127 50 0 IGAARN COC(=O)c1c(NC(=O)CN2CCC3(CC2)OCCO3)sc(C)c1-c1ccccc1 ZINC000017096995 556660625 /nfs/dbraw/zinc/66/06/25/556660625.db2.gz MFXJSZDYUWUIMO-UHFFFAOYSA-N 0 0 430.526 3.288 50 0 IGAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1)NC1CCCC1 ZINC000017097040 556661037 /nfs/dbraw/zinc/66/10/37/556661037.db2.gz FOGFZUUVJDRRSK-INIZCTEOSA-N 0 0 430.530 3.004 50 0 IGAARN COc1cccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)c1OC ZINC000011854378 556661800 /nfs/dbraw/zinc/66/18/00/556661800.db2.gz KINSKUFFNDRDCP-UHFFFAOYSA-N 0 0 437.481 3.262 50 0 IGAARN Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017097652 556661978 /nfs/dbraw/zinc/66/19/78/556661978.db2.gz AVZNAFQLSINNFH-UHFFFAOYSA-N 0 0 431.583 3.166 50 0 IGAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc(F)cc2)[nH]c(=O)c1C ZINC000011854962 556662181 /nfs/dbraw/zinc/66/21/81/556662181.db2.gz QBMYUJHLLXHQOH-UHFFFAOYSA-N 0 0 439.472 3.458 50 0 IGAARN COc1cc(OC)c(C)c(N2Cc3cnc([S@](C)=O)nc3N(C3CCCC3)C2=O)c1 ZINC000044126758 556666066 /nfs/dbraw/zinc/66/60/66/556666066.db2.gz GGPBJBAHBCHJBP-SSEXGKCCSA-N 0 0 430.530 3.429 50 0 IGAARN NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Br)ccc2oc1=O ZINC000011866244 556666262 /nfs/dbraw/zinc/66/62/62/556666262.db2.gz CDXIKQKKMHYQCO-UHFFFAOYSA-N 0 0 442.221 3.193 50 0 IGAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OCCCn1c(=O)[nH]c2ccccc21 ZINC000011111696 556666519 /nfs/dbraw/zinc/66/65/19/556666519.db2.gz JMPYLUBEJOVJCN-QGZVFWFLSA-N 0 0 431.901 3.419 50 0 IGAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000017112475 556667696 /nfs/dbraw/zinc/66/76/96/556667696.db2.gz BAXRFLPBJBLXSU-QFIPXVFZSA-N 0 0 432.480 3.357 50 0 IGAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCc4ccncc4)[C@H]3C2)c1 ZINC000248138381 556668979 /nfs/dbraw/zinc/66/89/79/556668979.db2.gz OIFWVQYTVWIESS-ILBGXUMGSA-N 0 0 428.536 3.274 50 0 IGAARN O=C(CCC(=O)c1cccs1)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000011907144 556671827 /nfs/dbraw/zinc/67/18/27/556671827.db2.gz YNUGPYKVSYSDOR-HXUWFJFHSA-N 0 0 428.535 3.437 50 0 IGAARN O=C(c1cc(N2CCCCS2(=O)=O)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000011907150 556671830 /nfs/dbraw/zinc/67/18/30/556671830.db2.gz ZTEKYRUFQAJAEP-UHFFFAOYSA-N 0 0 433.961 3.232 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc2)cc1 ZINC000032932395 556675712 /nfs/dbraw/zinc/67/57/12/556675712.db2.gz VECBDZMUHPESSP-HXUWFJFHSA-N 0 0 431.558 3.029 50 0 IGAARN CC(C)NC(=O)N1CCC(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000032933322 556677524 /nfs/dbraw/zinc/67/75/24/556677524.db2.gz HELACJPFMVAUTD-KRWDZBQOSA-N 0 0 429.561 3.116 50 0 IGAARN C[C@@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017824820 556679572 /nfs/dbraw/zinc/67/95/72/556679572.db2.gz KGTBBGPAVFFEMB-RETMOJTFSA-N 0 0 445.515 3.426 50 0 IGAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325638 556680264 /nfs/dbraw/zinc/68/02/64/556680264.db2.gz 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O=C(COC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1)N1CCSc2ccccc21 ZINC000032937230 556689919 /nfs/dbraw/zinc/68/99/19/556689919.db2.gz JAKNKJPSGQKTQD-SFHVURJKSA-N 0 0 431.558 3.175 50 0 IGAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 ZINC000046006333 556690440 /nfs/dbraw/zinc/69/04/40/556690440.db2.gz ZPMYQSMOHIYNBX-UHFFFAOYSA-N 0 0 426.492 3.367 50 0 IGAARN OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 ZINC000252584468 556691959 /nfs/dbraw/zinc/69/19/59/556691959.db2.gz APLVRJOYADCOGV-YVEFUNNKSA-N 0 0 427.307 3.462 50 0 IGAARN CCOc1ccccc1CNC(=O)c1cccc(NC(=O)c2nnc(COC)s2)c1 ZINC000033027602 556707029 /nfs/dbraw/zinc/70/70/29/556707029.db2.gz MCTJKYJODJRMEK-UHFFFAOYSA-N 0 0 426.498 3.266 50 0 IGAARN O=C(COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)NCc1ccco1 ZINC000019166154 556707100 /nfs/dbraw/zinc/70/71/00/556707100.db2.gz XKGSKTBDVDTUJM-UHFFFAOYSA-N 0 0 426.494 3.318 50 0 IGAARN COCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3C)s2)cc1 ZINC000033028031 556708414 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IGAARN CCOC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)C1 ZINC000033250481 556891410 /nfs/dbraw/zinc/89/14/10/556891410.db2.gz SFHHKICUSXCNPI-LJQANCHMSA-N 0 0 445.585 3.435 50 0 IGAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000033250640 556891529 /nfs/dbraw/zinc/89/15/29/556891529.db2.gz ZGKLLLJWROMKHP-SGWGQVFISA-N 0 0 443.569 3.485 50 0 IGAARN CCc1nc(-c2ccc(-n3cc(C(=O)NCc4ccc5c(c4)OCO5)c(C)n3)cc2)no1 ZINC000033258525 556896113 /nfs/dbraw/zinc/89/61/13/556896113.db2.gz GULNYTHVJZAQJZ-UHFFFAOYSA-N 0 0 431.452 3.452 50 0 IGAARN Cc1cc(C)cc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)c1 ZINC000033258787 556896641 /nfs/dbraw/zinc/89/66/41/556896641.db2.gz RVHIQTRHPBQNBV-UHFFFAOYSA-N 0 0 446.551 3.317 50 0 IGAARN Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000019831558 556926770 /nfs/dbraw/zinc/92/67/70/556926770.db2.gz XQOPSAPMIYZCHW-DEOSSOPVSA-N 0 0 447.510 3.064 50 0 IGAARN 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557106161 /nfs/dbraw/zinc/10/61/61/557106161.db2.gz BHVPWPHETATXPV-UHFFFAOYSA-N 0 0 433.511 3.404 50 0 IGAARN Cc1ccc(N2CN(CC(=O)Nc3cccnc3Cl)S(=O)(=O)c3cccnc32)cc1 ZINC000049411496 557106598 /nfs/dbraw/zinc/10/65/98/557106598.db2.gz DZFMMSZOUSWQKS-UHFFFAOYSA-N 0 0 443.916 3.177 50 0 IGAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccccc1F ZINC000049411530 557106948 /nfs/dbraw/zinc/10/69/48/557106948.db2.gz VWWAALUVIQAOMT-UHFFFAOYSA-N 0 0 430.436 3.098 50 0 IGAARN CCOCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421220 557107864 /nfs/dbraw/zinc/10/78/64/557107864.db2.gz BUQLTBLCOFIXHE-QGZVFWFLSA-N 0 0 440.569 3.411 50 0 IGAARN O=C1C[C@@H](SC(=S)N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000113481276 557110152 /nfs/dbraw/zinc/11/01/52/557110152.db2.gz YKBFPTGSHHZYLI-LJQANCHMSA-N 0 0 425.579 3.154 50 0 IGAARN O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000049544939 557111187 /nfs/dbraw/zinc/11/11/87/557111187.db2.gz TXZUCMCJCHXSKD-UHFFFAOYSA-N 0 0 431.496 3.344 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CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000011367118 557114292 /nfs/dbraw/zinc/11/42/92/557114292.db2.gz KNHNGDMDKVRYPM-UHFFFAOYSA-N 0 0 444.431 3.137 50 0 IGAARN COc1cccc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2N)c1 ZINC000000687518 557114702 /nfs/dbraw/zinc/11/47/02/557114702.db2.gz TUOBKBGPBBMRLL-UHFFFAOYSA-N 0 0 425.470 3.153 50 0 IGAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000023762621 557114970 /nfs/dbraw/zinc/11/49/70/557114970.db2.gz WFWLRGLARAXWSR-HSZRJFAPSA-N 0 0 436.556 3.120 50 0 IGAARN Cc1nc(-c2ccc(CNC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)s2)cs1 ZINC000023846414 557120388 /nfs/dbraw/zinc/12/03/88/557120388.db2.gz GQCWROQWDBQOHB-UHFFFAOYSA-N 0 0 432.571 3.297 50 0 IGAARN COC(=O)c1cc(NC(=O)c2ccc(I)cc2)cc(C(=O)OC)c1 ZINC000001219707 557120440 /nfs/dbraw/zinc/12/04/40/557120440.db2.gz BVQGMJUQPDXEQX-UHFFFAOYSA-N 0 0 439.205 3.117 50 0 IGAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000023877608 557122370 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Cc1ccccc1-n1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1N1CCOCC1 ZINC000017840580 557125182 /nfs/dbraw/zinc/12/51/82/557125182.db2.gz OWACDJHBPKPVSP-HXUWFJFHSA-N 0 0 437.569 3.334 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000004791925 557125416 /nfs/dbraw/zinc/12/54/16/557125416.db2.gz ACKMRVGDIMOUFP-UHFFFAOYSA-N 0 0 443.503 3.028 50 0 IGAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846823 557125969 /nfs/dbraw/zinc/12/59/69/557125969.db2.gz HWLXTJIWFLLLSV-UHFFFAOYSA-N 0 0 447.607 3.468 50 0 IGAARN Cc1nc(-c2ccc(CCNc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc2)cs1 ZINC000023934920 557126237 /nfs/dbraw/zinc/12/62/37/557126237.db2.gz YYPWJQBLKYEJIP-UHFFFAOYSA-N 0 0 444.582 3.189 50 0 IGAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2ccccc2s1 ZINC000017912650 557128254 /nfs/dbraw/zinc/12/82/54/557128254.db2.gz NYAPMVJWLZNKOR-UHFFFAOYSA-N 0 0 438.553 3.163 50 0 IGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000023990217 557130219 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CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)CC2=O)cc1 ZINC000011446168 557148623 /nfs/dbraw/zinc/14/86/23/557148623.db2.gz YIPPOMIMBUKZTB-INIZCTEOSA-N 0 0 437.496 3.212 50 0 IGAARN Cc1cc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1Cl ZINC000011450788 557149428 /nfs/dbraw/zinc/14/94/28/557149428.db2.gz UBWGZVINCPOESQ-UHFFFAOYSA-N 0 0 428.963 3.058 50 0 IGAARN CS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000024508785 557149503 /nfs/dbraw/zinc/14/95/03/557149503.db2.gz FIDWKGASFCNFLL-UHFFFAOYSA-N 0 0 430.961 3.270 50 0 IGAARN Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c43)C1=O)n(C)c(=O)n2C ZINC000585091606 557150377 /nfs/dbraw/zinc/15/03/77/557150377.db2.gz OFWWWKWUCDUISA-UHFFFAOYSA-N 0 0 429.476 3.064 50 0 in-vitro IGAARN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000011481930 557152836 /nfs/dbraw/zinc/15/28/36/557152836.db2.gz NHBWHHYIPQSIIC-UHFFFAOYSA-N 0 0 432.904 3.446 50 0 IGAARN CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043941933 557153074 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IGAARN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1I ZINC000011531035 557160293 /nfs/dbraw/zinc/16/02/93/557160293.db2.gz VRFAJIRSAHBHSP-UHFFFAOYSA-N 0 0 439.644 3.237 50 0 IGAARN Cc1c(NC(=O)[C@H](C)OC(=O)CCOc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000024771055 557165913 /nfs/dbraw/zinc/16/59/13/557165913.db2.gz AVEUISUJGXJTGT-SFHVURJKSA-N 0 0 437.496 3.132 50 0 IGAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)CC2=O)cc1C ZINC000206840286 557166436 /nfs/dbraw/zinc/16/64/36/557166436.db2.gz NOVGPTBDOFYZMK-GHTZIAJQSA-N 0 0 446.507 3.332 50 0 IGAARN COc1ccc(CCC(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000024777276 557167073 /nfs/dbraw/zinc/16/70/73/557167073.db2.gz ZDOXPBQQFHHNGI-XMMPIXPASA-N 0 0 432.524 3.130 50 0 IGAARN COc1ccc(NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000024814565 557168727 /nfs/dbraw/zinc/16/87/27/557168727.db2.gz UEOHBVYJSFYJJM-HSZRJFAPSA-N 0 0 445.519 3.133 50 0 IGAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024837022 557172275 /nfs/dbraw/zinc/17/22/75/557172275.db2.gz XRQGNSKFHCVQMZ-KRWDZBQOSA-N 0 0 440.525 3.155 50 0 IGAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000024838988 557172953 /nfs/dbraw/zinc/17/29/53/557172953.db2.gz QTEHSGZROLGMDE-UHFFFAOYSA-N 0 0 435.571 3.098 50 0 IGAARN CN(CC(=O)N[C@H]1CCSc2ccc(F)cc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010964445 557174922 /nfs/dbraw/zinc/17/49/22/557174922.db2.gz MSPUHTZLRNTUMC-INIZCTEOSA-N 0 0 428.938 3.453 50 0 IGAARN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000024938934 557181477 /nfs/dbraw/zinc/18/14/77/557181477.db2.gz JKMNPFACYVNBMI-NSHDSACASA-N 0 0 431.486 3.053 50 0 IGAARN COc1cccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 ZINC000024963463 557182714 /nfs/dbraw/zinc/18/27/14/557182714.db2.gz DVSLPJTWSRVNSD-CYBMUJFWSA-N 0 0 449.540 3.081 50 0 IGAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000024972836 557184034 /nfs/dbraw/zinc/18/40/34/557184034.db2.gz 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Cc1c(OCc2nnc(SCC(=O)Nc3nncs3)n2C)ccc2ccccc21 ZINC000009303591 557186008 /nfs/dbraw/zinc/18/60/08/557186008.db2.gz HJGBKVNTSPJDCF-UHFFFAOYSA-N 0 0 426.527 3.438 50 0 IGAARN CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1N1CCOCC1 ZINC000069929544 557189081 /nfs/dbraw/zinc/18/90/81/557189081.db2.gz QYKALMVEHRAWQB-UHFFFAOYSA-N 0 0 428.537 3.240 50 0 IGAARN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3CCN(C(=O)C(C)C)CC3)C2=O)cc1 ZINC000098004447 557189500 /nfs/dbraw/zinc/18/95/00/557189500.db2.gz QCWKAMTWGWLVOT-XMHGGMMESA-N 0 0 443.569 3.042 50 0 IGAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000025024362 557189707 /nfs/dbraw/zinc/18/97/07/557189707.db2.gz JCGVGFHCRBGZKH-UHFFFAOYSA-N 0 0 425.510 3.051 50 0 IGAARN O=C1C(=O)N(Cc2ccccc2)C(=O)N1Cc1csc(COc2ccc(F)cc2)n1 ZINC000025045570 557190465 /nfs/dbraw/zinc/19/04/65/557190465.db2.gz YZHSUQYJSFSZCA-UHFFFAOYSA-N 0 0 425.441 3.352 50 0 IGAARN CCn1c(SCC(=O)N2CCc3ccccc32)nnc1[C@H](C)NC(=O)c1ccco1 ZINC000009615152 557192084 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IGAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1C ZINC000245311367 568914568 /nfs/dbraw/zinc/91/45/68/568914568.db2.gz ODGLKQQJSRDQJP-UECWXEIQSA-N 0 0 435.911 3.388 50 0 IGAARN CC(C)CN(C(=O)c1csc(-c2cccs2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000026769213 568916515 /nfs/dbraw/zinc/91/65/15/568916515.db2.gz HEGMPKGDZJYMOT-UHFFFAOYSA-N 0 0 447.586 3.263 50 0 IGAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSC1=Nc2ccccc2CS1 ZINC000016547472 568920889 /nfs/dbraw/zinc/92/08/89/568920889.db2.gz QQBGCOQUCROXGT-GFCCVEGCSA-N 0 0 433.580 3.279 50 0 IGAARN CN1CC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375127 568922144 /nfs/dbraw/zinc/92/21/44/568922144.db2.gz BJRLCIXXQJXXFE-UGKGYDQZSA-N 0 0 425.916 3.164 50 0 IGAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1 ZINC000089453660 568925361 /nfs/dbraw/zinc/92/53/61/568925361.db2.gz MGCDFHYAZAKJMY-UHFFFAOYSA-N 0 0 445.541 3.131 50 0 IGAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccccc2OC)CC1 ZINC000089473623 568926506 /nfs/dbraw/zinc/92/65/06/568926506.db2.gz SZAZZNHLFYVQCM-JOCHJYFZSA-N 0 0 430.932 3.340 50 0 IGAARN C[C@@H](C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000089478496 568926544 /nfs/dbraw/zinc/92/65/44/568926544.db2.gz QVDHXIPBTGHFNA-CVDCTZTESA-N 0 0 427.564 3.255 50 0 IGAARN COCC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450808 568928930 /nfs/dbraw/zinc/92/89/30/568928930.db2.gz PUYWDZGECOWAJI-UHFFFAOYSA-N 0 0 446.552 3.102 50 0 IGAARN COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1 ZINC000064566124 568932802 /nfs/dbraw/zinc/93/28/02/568932802.db2.gz MVZAUHVBAKWGOQ-UHFFFAOYSA-N 0 0 433.443 3.483 50 0 IGAARN C[C@H](Oc1ccccc1)C(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000064566367 568933158 /nfs/dbraw/zinc/93/31/58/568933158.db2.gz FEYVYMZLQJEWMK-KRWDZBQOSA-N 0 0 443.507 3.413 50 0 IGAARN O=C(NC1CCCCC1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064567478 568933591 /nfs/dbraw/zinc/93/35/91/568933591.db2.gz PRGARFFEYJJKJK-UHFFFAOYSA-N 0 0 446.555 3.004 50 0 IGAARN Cc1c(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cnn1-c1cccc(Cl)c1 ZINC000089544943 568937036 /nfs/dbraw/zinc/93/70/36/568937036.db2.gz IGCCDEQNDVVBRW-UHFFFAOYSA-N 0 0 440.935 3.443 50 0 IGAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089573941 568937997 /nfs/dbraw/zinc/93/79/97/568937997.db2.gz UVVVZUGZRNQHNQ-AWEZNQCLSA-N 0 0 442.368 3.327 50 0 IGAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1 ZINC000064605351 568939687 /nfs/dbraw/zinc/93/96/87/568939687.db2.gz CZXBQTRLKGDDGA-UHFFFAOYSA-N 0 0 430.508 3.403 50 0 IGAARN CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(OC)c(OC)c4)c3[nH]2)C1 ZINC000064611727 568941589 /nfs/dbraw/zinc/94/15/89/568941589.db2.gz BXBYBZWNBRYOJW-AWEZNQCLSA-N 0 0 442.541 3.021 50 0 IGAARN CCOc1ccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 ZINC000064710103 568944626 /nfs/dbraw/zinc/94/46/26/568944626.db2.gz BCFOSDXGSNZIGX-UHFFFAOYSA-N 0 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CC(C)c1nnc(-c2ccc(=O)n(CC(=O)NCc3ccc(Br)cc3)c2)o1 ZINC000064759934 568952003 /nfs/dbraw/zinc/95/20/03/568952003.db2.gz USJUTJYMAUFRLN-UHFFFAOYSA-N 0 0 431.290 3.101 50 0 IGAARN COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)CC2=O)cc1OC ZINC000064761465 568952552 /nfs/dbraw/zinc/95/25/52/568952552.db2.gz XJQSPJUIJBQTLC-INIZCTEOSA-N 0 0 434.895 3.204 50 0 IGAARN CCC(=O)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789649 568957283 /nfs/dbraw/zinc/95/72/83/568957283.db2.gz HDSDIQQXFRJKLW-UHFFFAOYSA-N 0 0 443.500 3.372 50 0 IGAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036121080 568957648 /nfs/dbraw/zinc/95/76/48/568957648.db2.gz AGXGSYHVCDKYRK-TZIWHRDSSA-N 0 0 446.544 3.420 50 0 IGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)NCc2ccc(F)cc2)c1C ZINC000064792287 568959230 /nfs/dbraw/zinc/95/92/30/568959230.db2.gz NKEWNZBNEXBTIL-UHFFFAOYSA-N 0 0 433.487 3.274 50 0 IGAARN CCCNC(=O)CN1c2nnnn2[C@@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1 ZINC000064793478 568959801 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IGAARN O=S(=O)(c1cccs1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819210 568966046 /nfs/dbraw/zinc/96/60/46/568966046.db2.gz IBGZVEBWPFXERD-UHFFFAOYSA-N 0 0 428.461 3.221 50 0 IGAARN COCC(=O)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1cccc(OC)c1)C2=O ZINC000036165807 568968317 /nfs/dbraw/zinc/96/83/17/568968317.db2.gz CJECKMHAIQHGSN-NRFANRHFSA-N 0 0 432.929 3.270 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 ZINC000064835598 568968866 /nfs/dbraw/zinc/96/88/66/568968866.db2.gz RMISHAHKCIPSKF-UHFFFAOYSA-N 0 0 441.553 3.474 50 0 IGAARN CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)cc1 ZINC000064836425 568969426 /nfs/dbraw/zinc/96/94/26/568969426.db2.gz WTNFUQHDFIYPMR-UHFFFAOYSA-N 0 0 443.598 3.082 50 0 IGAARN CCOc1cc(CNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)ccc1OC ZINC000064839612 568969644 /nfs/dbraw/zinc/96/96/44/568969644.db2.gz XCXLZPQVTITYSI-HNNXBMFYSA-N 0 0 434.496 3.173 50 0 IGAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)c(F)c2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838479 568970145 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ZINC000009406865 569530209 /nfs/dbraw/zinc/53/02/09/569530209.db2.gz ARSVXMNHFOVPSO-UHFFFAOYSA-N 0 0 448.548 3.209 50 0 IGAARN Cc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2cc(C)cc(C)c2)c1 ZINC000009408177 569530484 /nfs/dbraw/zinc/53/04/84/569530484.db2.gz VZAOSROJEAKBSC-PMACEKPBSA-N 0 0 443.594 3.325 50 0 IGAARN Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1C ZINC000009408397 569530602 /nfs/dbraw/zinc/53/06/02/569530602.db2.gz OFRCWBJVENRPTH-RBUKOAKNSA-N 0 0 447.557 3.156 50 0 IGAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCc2cccnc2)c1C ZINC000009408570 569530660 /nfs/dbraw/zinc/53/06/60/569530660.db2.gz YWQDLGCDOVWHBZ-UHFFFAOYSA-N 0 0 445.523 3.144 50 0 IGAARN O=S1(=O)C[C@H]2N=C(SCCCc3ccccc3)N(c3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC000009411088 569531453 /nfs/dbraw/zinc/53/14/53/569531453.db2.gz BHOLOEVCWFLEBH-RTBURBONSA-N 0 0 444.578 3.165 50 0 IGAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1I)C[S@@](=O)C2 ZINC000009413570 569531762 /nfs/dbraw/zinc/53/17/62/569531762.db2.gz SVGVENDCCOWTEK-QHCPKHFHSA-N 0 0 443.310 3.257 50 0 IGAARN CCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009418605 569532432 /nfs/dbraw/zinc/53/24/32/569532432.db2.gz MGTVPHQNBZLXEH-UHFFFAOYSA-N 0 0 429.480 3.050 50 0 IGAARN Cn1c2cn(-c3cccc(O)c3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009422560 569532914 /nfs/dbraw/zinc/53/29/14/569532914.db2.gz ZNURLSPFVQIRSF-UHFFFAOYSA-N 0 0 426.270 3.163 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3cccc(C)c3)cc2C[C@@H]1C ZINC000009428953 569533610 /nfs/dbraw/zinc/53/36/10/569533610.db2.gz FTMKYFBAJMTJLI-KSFYIVLOSA-N 0 0 441.553 3.084 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3cccc(C)c3)cc2C[C@@H]1C ZINC000009428951 569533623 /nfs/dbraw/zinc/53/36/23/569533623.db2.gz FTMKYFBAJMTJLI-AOMKIAJQSA-N 0 0 441.553 3.084 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NC3CCCCCC3)C(C)C)cc2C[C@@H]1C ZINC000009429102 569533659 /nfs/dbraw/zinc/53/36/59/569533659.db2.gz USNSWKHFAHVSMI-AOMKIAJQSA-N 0 0 449.617 3.126 50 0 IGAARN Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Br)cc1F ZINC000009431247 569534111 /nfs/dbraw/zinc/53/41/11/569534111.db2.gz ZBOLGOWUMGNVIJ-UHFFFAOYSA-N 0 0 445.208 3.197 50 0 IGAARN Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Br)cc1 ZINC000009431244 569534113 /nfs/dbraw/zinc/53/41/13/569534113.db2.gz FQUSDFMTKZUPBS-UHFFFAOYSA-N 0 0 427.218 3.058 50 0 IGAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC ZINC000009431991 569534285 /nfs/dbraw/zinc/53/42/85/569534285.db2.gz VDQCSCYNHICDNV-RUZDIDTESA-N 0 0 432.476 3.286 50 0 IGAARN Cn1cc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c2ccccc21 ZINC000009433882 569534646 /nfs/dbraw/zinc/53/46/46/569534646.db2.gz QZOCAONSMZYJPN-DEOSSOPVSA-N 0 0 440.503 3.317 50 0 IGAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000009435823 569534900 /nfs/dbraw/zinc/53/49/00/569534900.db2.gz LRECMLKMTPOFIX-UHFFFAOYSA-N 0 0 435.505 3.308 50 0 IGAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009438563 569534953 /nfs/dbraw/zinc/53/49/53/569534953.db2.gz QYJDEVDBXHALAD-YLJYHZDGSA-N 0 0 436.574 3.103 50 0 IGAARN COC(=O)c1ccc2c(c1)nc(CSc1nnc(NCc3ccccc3)s1)[nH]c2=O ZINC000009442211 569535466 /nfs/dbraw/zinc/53/54/66/569535466.db2.gz NTZAEMPDKPYBJR-UHFFFAOYSA-N 0 0 439.522 3.466 50 0 IGAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 ZINC000009447429 569536010 /nfs/dbraw/zinc/53/60/10/569536010.db2.gz HECVGODILHGSIG-UHFFFAOYSA-N 0 0 435.513 3.179 50 0 IGAARN Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000009448950 569536183 /nfs/dbraw/zinc/53/61/83/569536183.db2.gz NXDXQAZZFWNPIS-UHFFFAOYSA-N 0 0 427.440 3.058 50 0 IGAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc(OC)c1OC ZINC000009457045 569536750 /nfs/dbraw/zinc/53/67/50/569536750.db2.gz KLJWNMJYFQIZLX-UHFFFAOYSA-N 0 0 443.529 3.032 50 0 IGAARN O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000009458024 569536785 /nfs/dbraw/zinc/53/67/85/569536785.db2.gz YJSIQVLNHSWEGI-INIZCTEOSA-N 0 0 431.897 3.276 50 0 IGAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=CC=NN2[C@@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000009461719 569537136 /nfs/dbraw/zinc/53/71/36/569537136.db2.gz YVMLKPTWSSJCBJ-NCYKPQTJSA-N 0 0 448.910 3.310 50 0 IGAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cccc(F)c3)n2N)n1 ZINC000009462447 569537291 /nfs/dbraw/zinc/53/72/91/569537291.db2.gz WOXYZWZJJQCONJ-UHFFFAOYSA-N 0 0 437.508 3.164 50 0 IGAARN COc1cc(-c2nnc(CSc3nnc(-c4ccco4)n3C)o2)cc(OC)c1OC ZINC000009465159 569537869 /nfs/dbraw/zinc/53/78/69/569537869.db2.gz YLKRMJVFVAUPDJ-UHFFFAOYSA-N 0 0 429.458 3.443 50 0 IGAARN CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000009465371 569537906 /nfs/dbraw/zinc/53/79/06/569537906.db2.gz NSJRSBCGHLXSGB-QFIPXVFZSA-N 0 0 428.554 3.306 50 0 IGAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccncc1 ZINC000009468025 569538497 /nfs/dbraw/zinc/53/84/97/569538497.db2.gz FJUPMTXSYZOGBR-UHFFFAOYSA-N 0 0 425.466 3.296 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009467889 569538529 /nfs/dbraw/zinc/53/85/29/569538529.db2.gz DISFNBZCEZKRLR-LJQANCHMSA-N 0 0 430.526 3.338 50 0 IGAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(I)cn1 ZINC000009477373 569539196 /nfs/dbraw/zinc/53/91/96/569539196.db2.gz AGLIZRXPHZEDOG-UHFFFAOYSA-N 0 0 447.685 3.475 50 0 IGAARN Cc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000009490620 569540216 /nfs/dbraw/zinc/54/02/16/569540216.db2.gz OYWHDVMPQDRLCO-UHFFFAOYSA-N 0 0 439.928 3.479 50 0 IGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009493335 569540733 /nfs/dbraw/zinc/54/07/33/569540733.db2.gz QSHIUWZKHMVUJL-QGZVFWFLSA-N 0 0 443.956 3.486 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000009502527 569541751 /nfs/dbraw/zinc/54/17/51/569541751.db2.gz QYEJNCZELADIGK-UHFFFAOYSA-N 0 0 428.554 3.076 50 0 IGAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)N1CCc2ccccc21 ZINC000009507173 569541951 /nfs/dbraw/zinc/54/19/51/569541951.db2.gz OEGCCZRMFBRHLE-UHFFFAOYSA-N 0 0 439.515 3.352 50 0 IGAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000009508683 569542343 /nfs/dbraw/zinc/54/23/43/569542343.db2.gz QNHSEQXQVGZVML-GFCCVEGCSA-N 0 0 442.566 3.262 50 0 IGAARN COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000009509260 569542494 /nfs/dbraw/zinc/54/24/94/569542494.db2.gz BSJKZRVVTKRBTJ-UHFFFAOYSA-N 0 0 434.558 3.148 50 0 IGAARN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4cccs4)n3N)sc2c1 ZINC000009514906 569543266 /nfs/dbraw/zinc/54/32/66/569543266.db2.gz HQDCUSRXEKDJLC-UHFFFAOYSA-N 0 0 432.556 3.460 50 0 IGAARN Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518075 569543934 /nfs/dbraw/zinc/54/39/34/569543934.db2.gz HAQRIGAMWYHUCH-UHFFFAOYSA-N 0 0 447.879 3.128 50 0 IGAARN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000009518139 569543968 /nfs/dbraw/zinc/54/39/68/569543968.db2.gz XHWDFODCWXSHQY-UHFFFAOYSA-N 0 0 443.916 3.297 50 0 IGAARN Cn1c2nc3n(c2c(=O)n(Cc2cccc(Cl)c2)c1=O)CCCN3CCc1ccccc1 ZINC000009519032 569544187 /nfs/dbraw/zinc/54/41/87/569544187.db2.gz KWHNUJPHBYMPPT-UHFFFAOYSA-N 0 0 449.942 3.051 50 0 IGAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)CCC3)n1 ZINC000009520818 569544350 /nfs/dbraw/zinc/54/43/50/569544350.db2.gz QTZZJNFXQDMYGL-UHFFFAOYSA-N 0 0 447.417 3.072 50 0 IGAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2c1C ZINC000009526607 569544462 /nfs/dbraw/zinc/54/44/62/569544462.db2.gz YJNMKEKXEVTMMR-UHFFFAOYSA-N 0 0 430.438 3.164 50 0 IGAARN Cc1ccc(C)c(Cn2cccc2CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000009527492 569544640 /nfs/dbraw/zinc/54/46/40/569544640.db2.gz XTOFIVFNNNSLJT-UHFFFAOYSA-N 0 0 425.510 3.077 50 0 IGAARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000009529210 569544799 /nfs/dbraw/zinc/54/47/99/569544799.db2.gz HCSBEKQYGKCBLZ-UHFFFAOYSA-N 0 0 425.510 3.366 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529909 569544986 /nfs/dbraw/zinc/54/49/86/569544986.db2.gz BXIUDNJIXVLVEZ-YSGRDPCXSA-N 0 0 443.594 3.118 50 0 IGAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000009545583 569546131 /nfs/dbraw/zinc/54/61/31/569546131.db2.gz MXOGOMJLMDMJGL-HXUWFJFHSA-N 0 0 435.263 3.415 50 0 IGAARN O=C(CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000009549323 569546610 /nfs/dbraw/zinc/54/66/10/569546610.db2.gz MWEVQEAUCQMLGU-UHFFFAOYSA-N 0 0 448.429 3.092 50 0 IGAARN COc1cccc(CNC(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)c1 ZINC000009561341 569547120 /nfs/dbraw/zinc/54/71/20/569547120.db2.gz OZLNJXVSOCAKSZ-UHFFFAOYSA-N 0 0 425.452 3.355 50 0 IGAARN O=C(COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21)NC[C@H]1CCCO1 ZINC000009562206 569547216 /nfs/dbraw/zinc/54/72/16/569547216.db2.gz WYPZQMGHJPJUPV-HXUWFJFHSA-N 0 0 446.503 3.473 50 0 IGAARN CCN(CC)S(=O)(=O)c1cc(NC(=S)NCc2ccc3c(c2)OCO3)ccc1C ZINC000009562558 569547316 /nfs/dbraw/zinc/54/73/16/569547316.db2.gz JDQHWNJUNIVSSV-UHFFFAOYSA-N 0 0 435.571 3.241 50 0 IGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 ZINC000009570949 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569572521 /nfs/dbraw/zinc/57/25/21/569572521.db2.gz HPCLFKNIXDEWKB-HXUWFJFHSA-N 0 0 445.479 3.182 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000009876009 569572601 /nfs/dbraw/zinc/57/26/01/569572601.db2.gz VBEXWFLPCIJBGN-JOCHJYFZSA-N 0 0 441.553 3.056 50 0 IGAARN O=C([C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000009876149 569572589 /nfs/dbraw/zinc/57/25/89/569572589.db2.gz ZYLVSTHMXAAQFF-NRFANRHFSA-N 0 0 437.565 3.081 50 0 IGAARN COc1cc(C(=O)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1OC(F)F ZINC000009901147 569573052 /nfs/dbraw/zinc/57/30/52/569573052.db2.gz HVUHGZLMACPEHG-UHFFFAOYSA-N 0 0 429.423 3.093 50 0 IGAARN COc1ccc(C)cc1CN(C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000009918889 569573437 /nfs/dbraw/zinc/57/34/37/569573437.db2.gz GARWARJQBRZWIZ-UHFFFAOYSA-N 0 0 426.538 3.484 50 0 IGAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000071279275 569573489 /nfs/dbraw/zinc/57/34/89/569573489.db2.gz HKYDIDWHPUYVDW-QWHCGFSZSA-N 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CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC000009963778 569575880 /nfs/dbraw/zinc/57/58/80/569575880.db2.gz JVHUYIZPFDNFJX-OAQYLSRUSA-N 0 0 448.541 3.157 50 0 IGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000009969283 569576026 /nfs/dbraw/zinc/57/60/26/569576026.db2.gz DTLVNXGQWHXDRD-NRFANRHFSA-N 0 0 442.537 3.257 50 0 IGAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)N[C@@H](C)c3ccccc3)c(C)c2c1=O ZINC000010013203 569577075 /nfs/dbraw/zinc/57/70/75/569577075.db2.gz XSAFCGDSGQHKSO-HNNXBMFYSA-N 0 0 426.542 3.126 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(F)cc2)c1 ZINC000010019816 569577169 /nfs/dbraw/zinc/57/71/69/569577169.db2.gz OQXQCYMOLMAVRD-UHFFFAOYSA-N 0 0 428.489 3.252 50 0 IGAARN Cc1cn2c3c(nc2n1[C@@H](C)c1ccccc1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000010103834 569577896 /nfs/dbraw/zinc/57/78/96/569577896.db2.gz RGYCLKIKIRLJBF-INIZCTEOSA-N 0 0 431.471 3.255 50 0 IGAARN Cc1cccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1C ZINC000010104755 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COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1C(F)(F)F ZINC000000815797 555562113 /nfs/dbraw/zinc/56/21/13/555562113.db2.gz ZRVIDQKGIWSTQT-ZDUSSCGKSA-N 0 0 425.403 3.397 50 0 IGAARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc2c(cc1Br)OCO2 ZINC000000816024 555562545 /nfs/dbraw/zinc/56/25/45/555562545.db2.gz JCYOZAHFBKBZRS-UHFFFAOYSA-N 0 0 438.274 3.101 50 0 IGAARN CCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000000835353 555566953 /nfs/dbraw/zinc/56/69/53/555566953.db2.gz WKMUIFFVYPOGAP-UHFFFAOYSA-N 0 0 427.320 3.253 50 0 IGAARN O=C(COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000866190 555574081 /nfs/dbraw/zinc/57/40/81/555574081.db2.gz YBMKBQCARMLTNN-NRFANRHFSA-N 0 0 429.428 3.026 50 0 IGAARN COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000000886788 555579278 /nfs/dbraw/zinc/57/92/78/555579278.db2.gz MIGYVGUPLNBEGD-UHFFFAOYSA-N 0 0 432.542 3.158 50 0 IGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000000890132 555579511 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3.418 50 0 IGAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000001054188 555614335 /nfs/dbraw/zinc/61/43/35/555614335.db2.gz BVUGBEKKCMCNEF-UHFFFAOYSA-N 0 0 437.880 3.062 50 0 IGAARN COc1ccc(N[C@H]2CC(=O)N(c3ccc(I)cc3C)C2=O)cc1 ZINC000001059628 555615845 /nfs/dbraw/zinc/61/58/45/555615845.db2.gz QUDUDLBPKUZIRW-HNNXBMFYSA-N 0 0 436.249 3.352 50 0 IGAARN CC1(C)Cc2nc3sc4c(ncnc4SCC(=O)N4CCOCC4)c3cc2CO1 ZINC000001067288 555619108 /nfs/dbraw/zinc/61/91/08/555619108.db2.gz LMUMHTRGXUCHBL-UHFFFAOYSA-N 0 0 430.555 3.042 50 0 IGAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12c1cc(CC)ccc1NC2=O ZINC000001075256 555623614 /nfs/dbraw/zinc/62/36/14/555623614.db2.gz KWGOFDLXIYAVKZ-VWLOTQADSA-N 0 0 444.491 3.107 50 0 IGAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3c(C)n[nH]c3C)C2=O)cc1OC ZINC000001120550 555637661 /nfs/dbraw/zinc/63/76/61/555637661.db2.gz AUFPNAAGWWMQPX-XMMPIXPASA-N 0 0 435.480 3.051 50 0 IGAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000001124179 555639557 /nfs/dbraw/zinc/63/95/57/555639557.db2.gz BXWBTOOBPTYDBV-UHFFFAOYSA-N 0 0 435.303 3.063 50 0 IGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000001131015 555644471 /nfs/dbraw/zinc/64/44/71/555644471.db2.gz NBBXGRZTGHHJCR-JOCHJYFZSA-N 0 0 428.554 3.260 50 0 IGAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000001139913 555649510 /nfs/dbraw/zinc/64/95/10/555649510.db2.gz YOSOPUATFLGLNP-UHFFFAOYSA-N 0 0 431.558 3.094 50 0 IGAARN NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I ZINC000001141682 555650252 /nfs/dbraw/zinc/65/02/52/555650252.db2.gz UOCROCSVFXLAJT-NTEUORMPSA-N 0 0 426.641 3.201 50 0 IGAARN CCOc1cc(OCC)c(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Br ZINC000001142698 555650974 /nfs/dbraw/zinc/65/09/74/555650974.db2.gz VBMYNDGYCRURHI-VGOFMYFVSA-N 0 0 444.303 3.456 50 0 IGAARN COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O ZINC000001147738 555654297 /nfs/dbraw/zinc/65/42/97/555654297.db2.gz GOGZIOBOTPJZHL-XNTDXEJSSA-N 0 0 431.242 3.098 50 0 IGAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)cc1 ZINC000001151883 555656769 /nfs/dbraw/zinc/65/67/69/555656769.db2.gz SIYXBTJCBFQPGT-UHFFFAOYSA-N 0 0 439.331 3.031 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001158243 555660193 /nfs/dbraw/zinc/66/01/93/555660193.db2.gz ZBGPXPFXICIVDZ-UHFFFAOYSA-N 0 0 434.489 3.042 50 0 IGAARN COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000001162660 555662631 /nfs/dbraw/zinc/66/26/31/555662631.db2.gz NDPYQWLWOFHOHL-YVLHZVERSA-N 0 0 444.440 3.053 50 0 IGAARN COc1ccc(OCC(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(OC)c2)cc1 ZINC000001302078 555689399 /nfs/dbraw/zinc/68/93/99/555689399.db2.gz XQFKLOOXYWACMU-UHFFFAOYSA-N 0 0 431.448 3.230 50 0 IGAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Br ZINC000001409853 555694382 /nfs/dbraw/zinc/69/43/82/555694382.db2.gz MFZJESFMPAKGSJ-UHFFFAOYSA-N 0 0 435.303 3.144 50 0 IGAARN CC(=O)N1CCc2nc3sc(C(=O)Nc4cc(C)on4)c(N)c3c(C(F)(F)F)c2C1 ZINC000001428876 555696174 /nfs/dbraw/zinc/69/61/74/555696174.db2.gz GWMFDBVNHOHYCX-UHFFFAOYSA-N 0 0 439.419 3.351 50 0 IGAARN Cc1cccc(C(=O)N[C@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)c1 ZINC000001452606 555699986 /nfs/dbraw/zinc/69/99/86/555699986.db2.gz TXERAAAMMMMLNF-HNNXBMFYSA-N 0 0 436.748 3.181 50 0 IGAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(I)c1 ZINC000001466651 555700892 /nfs/dbraw/zinc/70/08/92/555700892.db2.gz VKCVHDCZIKUHEG-UHFFFAOYSA-N 0 0 434.233 3.306 50 0 IGAARN C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000001549363 555702931 /nfs/dbraw/zinc/70/29/31/555702931.db2.gz DWJXYEABWRJFSP-XOBRGWDASA-N 0 0 432.467 3.211 50 0 in-vitro IGAARN NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)sc2c1CCCC2 ZINC000001787931 555715723 /nfs/dbraw/zinc/71/57/23/555715723.db2.gz OOPAEUHNZCDAIN-GDNBJRDFSA-N 0 0 441.534 3.401 50 0 IGAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889639 555725988 /nfs/dbraw/zinc/72/59/88/555725988.db2.gz RGPOFRVPSHCNMS-HNNXBMFYSA-N 0 0 447.948 3.390 50 0 IGAARN CCOc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000002060851 555731962 /nfs/dbraw/zinc/73/19/62/555731962.db2.gz HRRFPBKQPDKZMB-UHFFFAOYSA-N 0 0 436.599 3.209 50 0 IGAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000002222837 555759581 /nfs/dbraw/zinc/75/95/81/555759581.db2.gz CWHNAWOFOCNJCS-UHFFFAOYSA-N 0 0 445.504 3.467 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000002239912 555761227 /nfs/dbraw/zinc/76/12/27/555761227.db2.gz OYDHGLDWFBBXAO-LVSKKATPSA-N 0 0 438.936 3.452 50 0 IGAARN CCOCCCNC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002372041 555773329 /nfs/dbraw/zinc/77/33/29/555773329.db2.gz XBKNCZYYUUWJRM-UHFFFAOYSA-N 0 0 433.512 3.380 50 0 IGAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccc(OC)c1 ZINC000002448327 555780786 /nfs/dbraw/zinc/78/07/86/555780786.db2.gz RWDITXUIRCNKAW-UHFFFAOYSA-N 0 0 426.498 3.476 50 0 IGAARN O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000002721816 555802484 /nfs/dbraw/zinc/80/24/84/555802484.db2.gz ZXOCZDUPKFCCOV-CQSZACIVSA-N 0 0 448.522 3.155 50 0 IGAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=S ZINC000002730050 555803836 /nfs/dbraw/zinc/80/38/36/555803836.db2.gz FCLHBBBIXIJIFU-IBGZPJMESA-N 0 0 427.526 3.050 50 0 IGAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccccc2OC)c1=O ZINC000034693004 555805900 /nfs/dbraw/zinc/80/59/00/555805900.db2.gz BRVJADFBDGRRDP-UHFFFAOYSA-N 0 0 444.413 3.445 50 0 IGAARN C[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccc(F)cc1 ZINC000034694166 555809453 /nfs/dbraw/zinc/80/94/53/555809453.db2.gz ZEGUWBZFKPGPQK-JXFKEZNVSA-N 0 0 434.471 3.276 50 0 IGAARN COc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)C1=NCCS1 ZINC000002750662 555810119 /nfs/dbraw/zinc/81/01/19/555810119.db2.gz OAKWGCJVIOIVFX-UHFFFAOYSA-N 0 0 430.482 3.106 50 0 IGAARN CCNC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CC1 ZINC000034707582 555822212 /nfs/dbraw/zinc/82/22/12/555822212.db2.gz UDLYJGUUVQMVAY-UHFFFAOYSA-N 0 0 425.880 3.042 50 0 IGAARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 ZINC000002797548 555823064 /nfs/dbraw/zinc/82/30/64/555823064.db2.gz OMNVMBBAPYFRPF-UHFFFAOYSA-N 0 0 440.290 3.085 50 0 IGAARN Cc1ccccc1CSCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000002818188 555829146 /nfs/dbraw/zinc/82/91/46/555829146.db2.gz GHHZWXWHSPFKAK-UHFFFAOYSA-N 0 0 426.991 3.464 50 0 IGAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2cccnc2)s1 ZINC000002823203 555830436 /nfs/dbraw/zinc/83/04/36/555830436.db2.gz BBBKTRZBSBKKHE-UHFFFAOYSA-N 0 0 437.568 3.085 50 0 IGAARN COC(=O)c1ccccc1NC(=O)N[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002825664 555830978 /nfs/dbraw/zinc/83/09/78/555830978.db2.gz KNJRZKBBXXEAPD-NRFANRHFSA-N 0 0 443.459 3.460 50 0 IGAARN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000002835794 555832922 /nfs/dbraw/zinc/83/29/22/555832922.db2.gz CTHYHHKEZHSLAV-OAHLLOKOSA-N 0 0 430.559 3.130 50 0 IGAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000002836305 555832979 /nfs/dbraw/zinc/83/29/79/555832979.db2.gz RYKWDGJZSOQSOF-UHFFFAOYSA-N 0 0 440.525 3.415 50 0 IGAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(C)s1 ZINC000002841504 555835804 /nfs/dbraw/zinc/83/58/04/555835804.db2.gz DSVNGXALXPYLBS-UHFFFAOYSA-N 0 0 430.559 3.032 50 0 IGAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)COc1ccccc1 ZINC000002859580 555843901 /nfs/dbraw/zinc/84/39/01/555843901.db2.gz SCEICEMBRXZMDP-UHFFFAOYSA-N 0 0 425.466 3.433 50 0 IGAARN Cc1ccccc1OCC(=O)NCC(=O)OCc1cccc(C(=O)Oc2ccccc2)c1 ZINC000002863089 555845814 /nfs/dbraw/zinc/84/58/14/555845814.db2.gz CIDDOGXOPIUTNP-UHFFFAOYSA-N 0 0 433.460 3.453 50 0 IGAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000002876634 555852531 /nfs/dbraw/zinc/85/25/31/555852531.db2.gz NWNSMQDECYBLQW-UHFFFAOYSA-N 0 0 441.912 3.024 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000002883342 555856941 /nfs/dbraw/zinc/85/69/41/555856941.db2.gz RKGMMDHXCGCHAQ-MRXNPFEDSA-N 0 0 434.489 3.042 50 0 IGAARN Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)no1 ZINC000002884654 555857270 /nfs/dbraw/zinc/85/72/70/555857270.db2.gz BGMNODYHQJYOAN-UHFFFAOYSA-N 0 0 446.432 3.323 50 0 IGAARN CCNC(=O)N1C[C@H](C(=O)N2CCC[C@H](C(=O)OCC)C2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034715991 555865131 /nfs/dbraw/zinc/86/51/31/555865131.db2.gz NFZWLTCOWXQTOT-DYXWJJEUSA-N 0 0 447.551 3.418 50 0 IGAARN COCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002960993 555867607 /nfs/dbraw/zinc/86/76/07/555867607.db2.gz ZKTHRGHZKPBENB-UHFFFAOYSA-N 0 0 431.341 3.341 50 0 IGAARN CCOc1ccc(N([C@H](C)C(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000002980556 555871898 /nfs/dbraw/zinc/87/18/98/555871898.db2.gz JHKARZRIRPCRNO-QGZVFWFLSA-N 0 0 436.599 3.457 50 0 IGAARN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(OC)c(OC)c2)CN(C(C)=O)C1 ZINC000034732264 555872142 /nfs/dbraw/zinc/87/21/42/555872142.db2.gz CFDRQPSYHMMQES-SFTDATJTSA-N 0 0 440.540 3.023 50 0 IGAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000010549522 555890554 /nfs/dbraw/zinc/89/05/54/555890554.db2.gz WBXJWZSCOZRBOH-UGSOOPFHSA-N 0 0 437.949 3.495 50 0 IGAARN CC(=O)N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)CC1 ZINC000034760880 555904125 /nfs/dbraw/zinc/90/41/25/555904125.db2.gz CLUVRASTPBXPLX-QNGOZBTKSA-N 0 0 449.532 3.227 50 0 IGAARN CCCn1c2ccccc2nc1N1CCC(C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000034906604 555920702 /nfs/dbraw/zinc/92/07/02/555920702.db2.gz LKEVTRDPBYZJFV-IBGZPJMESA-N 0 0 426.561 3.464 50 0 IGAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3nc4ccc(OC)cc4s3)CC2)CC1 ZINC000004078772 555958616 /nfs/dbraw/zinc/95/86/16/555958616.db2.gz MGRGGHQTESCFHS-UHFFFAOYSA-N 0 0 431.558 3.323 50 0 IGAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 ZINC000004399747 555992924 /nfs/dbraw/zinc/99/29/24/555992924.db2.gz SIPFMFVGZMPIDS-MRXNPFEDSA-N 0 0 433.464 3.210 50 0 IGAARN O=C(CSc1nnc(CCCO)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005065375 556031050 /nfs/dbraw/zinc/03/10/50/556031050.db2.gz 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CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)C1CCN(S(C)(=O)=O)CC1)CCCC2 ZINC000002803774 556142720 /nfs/dbraw/zinc/14/27/20/556142720.db2.gz DMIGDPZKKDYKEH-CYBMUJFWSA-N 0 0 442.603 3.192 50 0 IGAARN O=C(NC(=S)NCc1ccccc1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002797417 556145810 /nfs/dbraw/zinc/14/58/10/556145810.db2.gz YWNHKNKQDPRUMZ-UHFFFAOYSA-N 0 0 429.343 3.498 50 0 IGAARN COc1ccc([C@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000008438573 556174613 /nfs/dbraw/zinc/17/46/13/556174613.db2.gz QMVTZHKRYFLFKP-BLRYILKCSA-N 0 0 434.529 3.133 50 0 IGAARN CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@H](c3ccc(F)cc3)N12 ZINC000008453295 556184137 /nfs/dbraw/zinc/18/41/37/556184137.db2.gz JZROPLMZSHIVDZ-IBGZPJMESA-N 0 0 436.443 3.382 50 0 IGAARN CN1C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=CC(c2cccs2)=NS1(=O)=O ZINC000008587878 556188315 /nfs/dbraw/zinc/18/83/15/556188315.db2.gz XWRFNUJAOIKMJD-UHFFFAOYSA-N 0 0 431.417 3.149 50 0 IGAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc1 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ZINC000033027807 556707863 /nfs/dbraw/zinc/70/78/63/556707863.db2.gz KNVQRFUVZDJWQW-UHFFFAOYSA-N 0 0 438.509 3.150 50 0 IGAARN O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027965 556708396 /nfs/dbraw/zinc/70/83/96/556708396.db2.gz ROSCVGLXZFMTSK-SFHVURJKSA-N 0 0 438.509 3.278 50 0 IGAARN Nc1nc(CSCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nc(Nc2ccccc2)n1 ZINC000019223869 556716072 /nfs/dbraw/zinc/71/60/72/556716072.db2.gz KEHGPFOREYLSHS-UHFFFAOYSA-N 0 0 446.439 3.391 50 0 IGAARN Cc1nonc1[C@@H]1CCCN1Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F ZINC000019225541 556716500 /nfs/dbraw/zinc/71/65/00/556716500.db2.gz YTIYDUHYTSXHMF-IBGZPJMESA-N 0 0 447.536 3.281 50 0 IGAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccn2)CC1)N1CCSCC1 ZINC000072328426 556725515 /nfs/dbraw/zinc/72/55/15/556725515.db2.gz FRBIHICGKJTMNO-UHFFFAOYSA-N 0 0 437.544 3.285 50 0 IGAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)COC(C)(C)C3 ZINC000013756258 556727041 /nfs/dbraw/zinc/72/70/41/556727041.db2.gz ROFPQDUCESECRO-UHFFFAOYSA-N 0 0 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Cc1csc2nc(COC(=O)c3ccccc3SCc3noc(C)n3)cc(=O)n12 ZINC000058014403 556753763 /nfs/dbraw/zinc/75/37/63/556753763.db2.gz VTCNXAAOSHNNQX-UHFFFAOYSA-N 0 0 428.495 3.405 50 0 IGAARN COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000058014567 556753811 /nfs/dbraw/zinc/75/38/11/556753811.db2.gz LYMJPWXZISCFLP-INIZCTEOSA-N 0 0 429.947 3.039 50 0 IGAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCN(Cc3cscn3)CC2)cc1 ZINC000058081239 556756747 /nfs/dbraw/zinc/75/67/47/556756747.db2.gz JIKGQZSFKYNERJ-UHFFFAOYSA-N 0 0 442.614 3.284 50 0 IGAARN COc1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000058109716 556758768 /nfs/dbraw/zinc/75/87/68/556758768.db2.gz QBPYMRWUONWTSF-AWEZNQCLSA-N 0 0 437.452 3.306 50 0 IGAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H]1CN(C)c1ccccc1)C2=O ZINC000058113159 556759189 /nfs/dbraw/zinc/75/91/89/556759189.db2.gz SNLCNHYDLOHACA-WLBKGHODSA-N 0 0 426.561 3.005 50 0 IGAARN CCN(Cc1cccc(F)c1)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000058134645 556760518 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CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000016048024 568869383 /nfs/dbraw/zinc/86/93/83/568869383.db2.gz UIVRRRWSFZKUBQ-UHFFFAOYSA-N 0 0 425.503 3.355 50 0 IGAARN CCOc1ccc(CCC2CCN(Cn3nc(C(=O)NC)c4ccccc4c3=O)CC2)cc1 ZINC000012944290 568870492 /nfs/dbraw/zinc/87/04/92/568870492.db2.gz XZXVYRWRDNBMDX-UHFFFAOYSA-N 0 0 448.567 3.457 50 0 IGAARN Cc1cc(N2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)nc(C(C)C)n1 ZINC000016103254 568870667 /nfs/dbraw/zinc/87/06/67/568870667.db2.gz CWMXEYXVTNHBJN-UHFFFAOYSA-N 0 0 429.952 3.031 50 0 IGAARN COC(=O)C1(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CCCCCC1 ZINC000012945391 568870933 /nfs/dbraw/zinc/87/09/33/568870933.db2.gz UXRVOGKPNDGWIO-OAQYLSRUSA-N 0 0 448.519 3.276 50 0 IGAARN Cn1c(=O)n(C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nc1C(F)(F)F ZINC000575614848 568881037 /nfs/dbraw/zinc/88/10/37/568881037.db2.gz KNOMKKFTAFWFOF-UHFFFAOYSA-N 0 0 437.447 3.201 50 0 IGAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccc(-n3cccn3)cc2)c2ccsc2)n1 ZINC000575614583 568881151 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COC(=O)c1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000013016457 568901598 /nfs/dbraw/zinc/90/15/98/568901598.db2.gz ZMXIDMYBHUXYKU-UHFFFAOYSA-N 0 0 439.537 3.241 50 0 IGAARN O=C(C[C@@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCc1ccccn1 ZINC000524730509 568904204 /nfs/dbraw/zinc/90/42/04/568904204.db2.gz LIQZSJRIQKELPS-QGZVFWFLSA-N 0 0 444.443 3.461 50 0 IGAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCC3)cc2)C(C(=O)OCCOC)=C1C ZINC000035710322 568907660 /nfs/dbraw/zinc/90/76/60/568907660.db2.gz NIJMQJNLPSQRBQ-HXUWFJFHSA-N 0 0 429.517 3.365 50 0 IGAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OC(=O)c1cccs1 ZINC000001794934 568907943 /nfs/dbraw/zinc/90/79/43/568907943.db2.gz UAKMLDZOEDYQJE-SFHVURJKSA-N 0 0 446.550 3.292 50 0 IGAARN Cc1c(C([O-])=CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+](=O)c2ccccc2n1O ZINC000138310704 568909252 /nfs/dbraw/zinc/90/92/52/568909252.db2.gz NWBLSLNPPDKFKZ-UHFFFAOYSA-O 0 0 435.243 3.189 50 0 IGAARN O=C1NC(=O)[C@H]2Sc3c(sc(=O)n3-c3ccccc3)[C@@H](c3c[nH]c4ccccc43)[C@H]12 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ZINC000065271945 569128809 /nfs/dbraw/zinc/12/88/09/569128809.db2.gz HKKQCTYKKGFWTQ-UHFFFAOYSA-N 0 0 438.981 3.186 50 0 IGAARN C=C1C(N2CCCN(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271932 569128865 /nfs/dbraw/zinc/12/88/65/569128865.db2.gz MWJLCSLZOZONTE-UHFFFAOYSA-N 0 0 446.617 3.485 50 0 IGAARN C=C1C(N2CCCN(C(=O)N[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271949 569128874 /nfs/dbraw/zinc/12/88/74/569128874.db2.gz PUAQFXRDLBECMN-QGZVFWFLSA-N 0 0 432.590 3.292 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(F)cc2C)CC3)CC1 ZINC000065273518 569129572 /nfs/dbraw/zinc/12/95/72/569129572.db2.gz XAYLWNBKFLAKAZ-OAHLLOKOSA-N 0 0 430.549 3.393 50 0 IGAARN O=C(Nc1ccccc1F)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273719 569130020 /nfs/dbraw/zinc/13/00/20/569130020.db2.gz IDOOYEXHFCXXPT-INIZCTEOSA-N 0 0 442.560 3.475 50 0 IGAARN C[C@@H]1Cc2ccc(-c3cc(CNC(=O)CCS(=O)(=O)c4ccccc4)no3)cc2O1 ZINC000036662497 569130380 /nfs/dbraw/zinc/13/03/80/569130380.db2.gz 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/nfs/dbraw/zinc/13/48/86/569134886.db2.gz DPABGFDRZGSQMX-UHFFFAOYSA-N 0 0 445.570 3.120 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)cc1 ZINC000065312673 569134988 /nfs/dbraw/zinc/13/49/88/569134988.db2.gz AJXJLULXFAAQND-HNNXBMFYSA-N 0 0 427.892 3.415 50 0 IGAARN Cc1cccc(C)c1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C ZINC000065319802 569135935 /nfs/dbraw/zinc/13/59/35/569135935.db2.gz OXFCJTBBNDEHRV-UHFFFAOYSA-N 0 0 429.571 3.338 50 0 IGAARN O=C(CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[nH]1)NC1CCCCC1 ZINC000036712360 569137343 /nfs/dbraw/zinc/13/73/43/569137343.db2.gz HFOMLRSFYTXPSH-UHFFFAOYSA-N 0 0 431.949 3.362 50 0 IGAARN Cc1ccccc1-c1noc(CCC(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)n1 ZINC000238870199 569137581 /nfs/dbraw/zinc/13/75/81/569137581.db2.gz MSFVYZFIJOUHMD-UHFFFAOYSA-N 0 0 449.898 3.224 50 0 IGAARN O=S(=O)(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 ZINC000170598629 569142454 /nfs/dbraw/zinc/14/24/54/569142454.db2.gz RHQPURHIBOYUAB-UHFFFAOYSA-N 0 0 425.890 3.141 50 0 IGAARN 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CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000089947880 569168562 /nfs/dbraw/zinc/16/85/62/569168562.db2.gz LJQZSTFKVDDRNK-FQEVSTJZSA-N 0 0 430.526 3.128 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1 ZINC000017012774 569170679 /nfs/dbraw/zinc/17/06/79/569170679.db2.gz ACIBIXSXLOLVAX-UHFFFAOYSA-N 0 0 439.541 3.048 50 0 IGAARN Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000017041896 569171664 /nfs/dbraw/zinc/17/16/64/569171664.db2.gz DBCTZWCLBKIKLT-UHFFFAOYSA-N 0 0 434.883 3.207 50 0 IGAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169705 569175318 /nfs/dbraw/zinc/17/53/18/569175318.db2.gz PWTZGTHTUKWILB-HXUWFJFHSA-N 0 0 448.516 3.057 50 0 IGAARN Cc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001059355 569176606 /nfs/dbraw/zinc/17/66/06/569176606.db2.gz IKRFCYLAYJCYIU-UHFFFAOYSA-N 0 0 430.267 3.223 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002095975 569179285 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COC(=O)c1c2c(sc1NC(=O)C1=C(c3ccccc3)S(=O)(=O)CCO1)CCCC2 ZINC000032102666 569460148 /nfs/dbraw/zinc/46/01/48/569460148.db2.gz CTDLHWPAPQHROQ-UHFFFAOYSA-N 0 0 447.534 3.166 50 0 IGAARN CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3C)nn2)n1 ZINC000004142773 569460405 /nfs/dbraw/zinc/46/04/05/569460405.db2.gz YFFWRGQKLDGUAJ-UHFFFAOYSA-N 0 0 425.493 3.472 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)Nc2ccncc2)cc1N(C)S(=O)(=O)c1ccc(F)cc1 ZINC000004149978 569460469 /nfs/dbraw/zinc/46/04/69/569460469.db2.gz WRIBZQDNTBTHSZ-UHFFFAOYSA-N 0 0 449.529 3.463 50 0 IGAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccccc1CN1CCOCC1 ZINC000032210343 569460798 /nfs/dbraw/zinc/46/07/98/569460798.db2.gz GRMVQNPRJLLSJY-UHFFFAOYSA-N 0 0 430.932 3.192 50 0 IGAARN CCOC(=O)[C@](NC(=O)Nc1ccc(OC)cc1OC)(OCC(F)(F)F)C(F)(F)F ZINC000004208158 569460912 /nfs/dbraw/zinc/46/09/12/569460912.db2.gz HXDIBHJPJFJBCZ-HNNXBMFYSA-N 0 0 448.316 3.226 50 0 IGAARN CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000059363626 569461028 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427.819 3.236 50 0 IGAARN COc1ccc(-c2cc3nn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)n3c(C)n2)cc1 ZINC000067226550 569465264 /nfs/dbraw/zinc/46/52/64/569465264.db2.gz RIJBCDGGWUHOPI-UHFFFAOYSA-N 0 0 431.496 3.439 50 0 IGAARN CC(C)c1cccc(NC(=O)Cn2c3c(-c4ccccc4)cn(C)c3c(=O)n(C)c2=O)c1 ZINC000067235394 569465327 /nfs/dbraw/zinc/46/53/27/569465327.db2.gz QRWQQAGEOSVZBC-UHFFFAOYSA-N 0 0 430.508 3.468 50 0 IGAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1OC ZINC000067237756 569465515 /nfs/dbraw/zinc/46/55/15/569465515.db2.gz YRKOTYZZMSFDCI-UHFFFAOYSA-N 0 0 430.530 3.437 50 0 IGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCCCc2ccccc2)c(=O)c1CCO ZINC000067300621 569468230 /nfs/dbraw/zinc/46/82/30/569468230.db2.gz RGHHQUHOVBSXFU-UHFFFAOYSA-N 0 0 439.943 3.156 50 0 IGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N[C@H](C)c2ccccc2)c(=O)c1CCO ZINC000067300776 569468236 /nfs/dbraw/zinc/46/82/36/569468236.db2.gz MDMYTPVXWMYNSG-OAHLLOKOSA-N 0 0 425.916 3.284 50 0 IGAARN CCCN(CCC)C(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(C(F)(F)F)cc1 ZINC000067301223 569468246 /nfs/dbraw/zinc/46/82/46/569468246.db2.gz NTYSLQDHIFBBIF-UHFFFAOYSA-N 0 0 439.478 3.421 50 0 IGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1CCO ZINC000067300773 569468279 /nfs/dbraw/zinc/46/82/79/569468279.db2.gz MDMYTPVXWMYNSG-HNNXBMFYSA-N 0 0 425.916 3.284 50 0 IGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCCC2=CCCCC2)c(=O)c1CCO ZINC000067301561 569468293 /nfs/dbraw/zinc/46/82/93/569468293.db2.gz HPUZGFGEKVUKME-UHFFFAOYSA-N 0 0 429.948 3.414 50 0 IGAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038729881 569468347 /nfs/dbraw/zinc/46/83/47/569468347.db2.gz XHADQFVJCBTJAR-SFTDATJTSA-N 0 0 432.499 3.314 50 0 IGAARN O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038729908 569468359 /nfs/dbraw/zinc/46/83/59/569468359.db2.gz YEKJOFFHLPNUAT-ROUUACIJSA-N 0 0 432.293 3.071 50 0 IGAARN CC1(C)Cc2cccc(OCC(=O)N3CCN(C(=O)[C@@H]4C[C@H]4c4cccs4)CC3)c2O1 ZINC000038730582 569468374 /nfs/dbraw/zinc/46/83/74/569468374.db2.gz NCKJSZJTOOKFQL-QZTJIDSGSA-N 0 0 440.565 3.315 50 0 IGAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCN(c3ccccc3O)CC2)cs1 ZINC000038739518 569468400 /nfs/dbraw/zinc/46/84/00/569468400.db2.gz CWFBIZRLFMRVLH-ZHACJKMWSA-N 0 0 448.548 3.392 50 0 IGAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc23)n1 ZINC000067317806 569468458 /nfs/dbraw/zinc/46/84/58/569468458.db2.gz RTLAYMGUSGIXBI-UHFFFAOYSA-N 0 0 446.463 3.220 50 0 IGAARN CCc1cccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 ZINC000067319294 569468521 /nfs/dbraw/zinc/46/85/21/569468521.db2.gz RLOYRXCWFWVQMG-UHFFFAOYSA-N 0 0 438.549 3.177 50 0 IGAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1OC ZINC000067322910 569468750 /nfs/dbraw/zinc/46/87/50/569468750.db2.gz TYEHRHHKJFCAJH-UHFFFAOYSA-N 0 0 443.891 3.457 50 0 IGAARN COc1ccccc1N1C[C@H](C(=O)NCc2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)CC1=O ZINC000038752000 569468805 /nfs/dbraw/zinc/46/88/05/569468805.db2.gz MANOLTUMZQWECQ-CRAIPNDOSA-N 0 0 447.491 3.343 50 0 IGAARN CCOc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(OC)c4)CC3)nc2N)cc1 ZINC000067336513 569468940 /nfs/dbraw/zinc/46/89/40/569468940.db2.gz NOGWNAPUNPVKLN-UHFFFAOYSA-N 0 0 448.527 3.045 50 0 IGAARN Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000038837170 569469219 /nfs/dbraw/zinc/46/92/19/569469219.db2.gz PXWUBGVBIHJHGU-UHFFFAOYSA-N 0 0 438.962 3.078 50 0 IGAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000038833975 569469250 /nfs/dbraw/zinc/46/92/50/569469250.db2.gz ROWYYENNVZHBLQ-INIZCTEOSA-N 0 0 425.304 3.005 50 0 IGAARN CCc1nn(CC(=O)NCCc2ccc(SC)cc2)c(=O)c2cc3sccc3n21 ZINC000008605012 569469318 /nfs/dbraw/zinc/46/93/18/569469318.db2.gz LSRKHTRVNHZIFB-UHFFFAOYSA-N 0 0 426.567 3.354 50 0 IGAARN CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2 ZINC000008629195 569469495 /nfs/dbraw/zinc/46/94/95/569469495.db2.gz JAGGTQVGXSDOKY-DTQAZKPQSA-N 0 0 445.475 3.430 50 0 IGAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000008703945 569470235 /nfs/dbraw/zinc/47/02/35/569470235.db2.gz ZXBFPILFSDNEPV-NRFANRHFSA-N 0 0 437.565 3.474 50 0 IGAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008709504 569470826 /nfs/dbraw/zinc/47/08/26/569470826.db2.gz SUHSUKXRTDBRNU-SFHVURJKSA-N 0 0 444.601 3.346 50 0 IGAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 ZINC000008721021 569471685 /nfs/dbraw/zinc/47/16/85/569471685.db2.gz CHSMFAKXQRQFGU-UHFFFAOYSA-N 0 0 447.564 3.107 50 0 IGAARN CSc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 ZINC000008723802 569471863 /nfs/dbraw/zinc/47/18/63/569471863.db2.gz DYMMXMPRZCPICQ-QGZVFWFLSA-N 0 0 440.974 3.234 50 0 IGAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000008723414 569471887 /nfs/dbraw/zinc/47/18/87/569471887.db2.gz OEVGTTQGUKVENI-UHFFFAOYSA-N 0 0 429.929 3.277 50 0 IGAARN COc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000008724786 569472080 /nfs/dbraw/zinc/47/20/80/569472080.db2.gz KLDXGWISWKPYFU-CQSZACIVSA-N 0 0 448.431 3.268 50 0 IGAARN CC(=O)c1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 ZINC000008729238 569472457 /nfs/dbraw/zinc/47/24/57/569472457.db2.gz GWFQQCAAMITGPM-UHFFFAOYSA-N 0 0 433.555 3.190 50 0 IGAARN O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(Br)cc1 ZINC000008746988 569473070 /nfs/dbraw/zinc/47/30/70/569473070.db2.gz CYISSNKBQZIGSX-UHFFFAOYSA-N 0 0 438.347 3.284 50 0 IGAARN COc1cccc(COC[C@@H](O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1 ZINC000008747898 569473169 /nfs/dbraw/zinc/47/31/69/569473169.db2.gz MXPYGOFRNZYEHS-UQBPGWFLSA-N 0 0 434.492 3.193 50 0 IGAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc32)C1=O ZINC000008750394 569473351 /nfs/dbraw/zinc/47/33/51/569473351.db2.gz SQYDBGIPVGCCEQ-QFIPXVFZSA-N 0 0 435.509 3.141 50 0 IGAARN O=C(CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1Br ZINC000008751224 569473402 /nfs/dbraw/zinc/47/34/02/569473402.db2.gz HMZRDTVDGUHNQY-HNNXBMFYSA-N 0 0 434.315 3.007 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(NC(C)=O)cc2)cc1 ZINC000008751217 569473422 /nfs/dbraw/zinc/47/34/22/569473422.db2.gz WDHXLWKKPVTCLF-UHFFFAOYSA-N 0 0 449.598 3.084 50 0 IGAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000008753447 569473690 /nfs/dbraw/zinc/47/36/90/569473690.db2.gz HLQNGDLAYGVALQ-QFIPXVFZSA-N 0 0 445.422 3.286 50 0 IGAARN CCNC(=O)N1c2ccccc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(=O)NCC ZINC000008764246 569474506 /nfs/dbraw/zinc/47/45/06/569474506.db2.gz IKDHSKPNOKCAGZ-DEOSSOPVSA-N 0 0 431.496 3.075 50 0 IGAARN CSCC[C@@H](CO)NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000008764948 569474699 /nfs/dbraw/zinc/47/46/99/569474699.db2.gz CAMGXRNBUVOHLE-KRWDZBQOSA-N 0 0 427.522 3.377 50 0 IGAARN COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3cccs3)s2)cc1 ZINC000008770719 569475193 /nfs/dbraw/zinc/47/51/93/569475193.db2.gz SODJJWXQNIXWJR-VZCXRCSSSA-N 0 0 428.539 3.371 50 0 IGAARN Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cc2s1 ZINC000008774277 569475273 /nfs/dbraw/zinc/47/52/73/569475273.db2.gz AQUWFLURSPUOFD-INIZCTEOSA-N 0 0 426.523 3.157 50 0 IGAARN Cc1c(C(=O)OC(C)C)sc2ncn(CCCN3C(=O)c4ccccc4C3=O)c(=O)c12 ZINC000008779653 569475512 /nfs/dbraw/zinc/47/55/12/569475512.db2.gz YPIYKYMDPPJGEY-UHFFFAOYSA-N 0 0 439.493 3.018 50 0 IGAARN CCc1ccc([C@@H]2CN3C(=O)CN(CCOC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789230 569475943 /nfs/dbraw/zinc/47/59/43/569475943.db2.gz USICYNKDAKWPGV-FNZWTVRRSA-N 0 0 431.536 3.408 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000008818860 569477019 /nfs/dbraw/zinc/47/70/19/569477019.db2.gz ANWMHAXVGHCKOG-CNSVBDKNSA-N 0 0 436.508 3.246 50 0 IGAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2cccc[n+]2[O-])cc1 ZINC000008824109 569477160 /nfs/dbraw/zinc/47/71/60/569477160.db2.gz OBPCYJBRKKCESL-UHFFFAOYSA-N 0 0 437.521 3.032 50 0 IGAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000008824579 569477198 /nfs/dbraw/zinc/47/71/98/569477198.db2.gz UWHDDBLTXFCLOZ-UHFFFAOYSA-N 0 0 446.459 3.449 50 0 IGAARN COc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000008828011 569477746 /nfs/dbraw/zinc/47/77/46/569477746.db2.gz QFTNPZLVGVQQDQ-JKSUJKDBSA-N 0 0 426.416 3.326 50 0 IGAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C1 ZINC000008840336 569478357 /nfs/dbraw/zinc/47/83/57/569478357.db2.gz LTOVQNQHESHIGQ-UHFFFAOYSA-N 0 0 436.599 3.493 50 0 IGAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 ZINC000008850115 569479275 /nfs/dbraw/zinc/47/92/75/569479275.db2.gz GSIMHYVQKSNSNF-XMMPIXPASA-N 0 0 435.480 3.296 50 0 IGAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(-c5nn[nH]n5)c4)CC3)c2c1C ZINC000008862397 569480126 /nfs/dbraw/zinc/48/01/26/569480126.db2.gz BPXYPBBTSXAUFO-UHFFFAOYSA-N 0 0 434.529 3.343 50 0 IGAARN CCN(C(=O)CN1CCNC(=O)[C@@H]1c1c(C)nn(-c2ccccc2)c1C)C1CCCCC1 ZINC000039982732 569482234 /nfs/dbraw/zinc/48/22/34/569482234.db2.gz LRHMFFBUGASKJA-DEOSSOPVSA-N 0 0 437.588 3.143 50 0 IGAARN COc1cccc(-c2nc(CNc3cccc(S(=O)(=O)N4CCOCC4)c3)cs2)c1 ZINC000039987687 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BEMUBGJYCACCDD-UHFFFAOYSA-N 0 0 439.375 3.207 50 0 IGAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCCCC2)CC1 ZINC000036019579 519710625 /nfs/dbraw/zinc/71/06/25/519710625.db2.gz DWYFGVTWPVPSIL-UHFFFAOYSA-N 0 0 443.592 3.147 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 ZINC000015867721 519725929 /nfs/dbraw/zinc/72/59/29/519725929.db2.gz MXZVGGBLLJAJRG-UHFFFAOYSA-N 0 0 428.514 3.480 50 0 IGAARN CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1ccccc1 ZINC000035986717 519740012 /nfs/dbraw/zinc/74/00/12/519740012.db2.gz SWFJPEKVLMALPJ-FQEVSTJZSA-N 0 0 443.588 3.055 50 0 IGAARN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1F ZINC000012521590 519749627 /nfs/dbraw/zinc/74/96/27/519749627.db2.gz IRFDTVPXCUJIGL-UHFFFAOYSA-N 0 0 449.548 3.096 50 0 IGAARN CC(C)CS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000012180607 519767601 /nfs/dbraw/zinc/76/76/01/519767601.db2.gz VAFPXPRMCZLOGF-UHFFFAOYSA-N 0 0 426.535 3.365 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 ZINC000012409171 519820090 /nfs/dbraw/zinc/82/00/90/519820090.db2.gz LNTAIRJODWNYJX-SFHVURJKSA-N 0 0 428.583 3.417 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013145982 519820304 /nfs/dbraw/zinc/82/03/04/519820304.db2.gz FUFWRWVFMGOOSQ-DEOSSOPVSA-N 0 0 436.552 3.466 50 0 IGAARN CC(C)c1ccc(CN2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000012790486 519835943 /nfs/dbraw/zinc/83/59/43/519835943.db2.gz LMSJECCIHFCYDM-FGZHOGPDSA-N 0 0 425.573 3.020 50 0 IGAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(N(C)C)cc1)[C@@H](C(=O)N(C)C)C2 ZINC000065167057 519878750 /nfs/dbraw/zinc/87/87/50/519878750.db2.gz QXNMKEXIKSYNMR-JOCHJYFZSA-N 0 0 436.556 3.147 50 0 IGAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000035948857 519882981 /nfs/dbraw/zinc/88/29/81/519882981.db2.gz LPANEWBEEJASHU-HXUWFJFHSA-N 0 0 442.516 3.034 50 0 IGAARN CCCNC(=O)N1CCN(c2nc(CC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000035990396 519883645 /nfs/dbraw/zinc/88/36/45/519883645.db2.gz SBNBYLCGOSTQOV-UHFFFAOYSA-N 0 0 425.512 3.067 50 0 IGAARN CC(C)c1nnc2ccc(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)nn21 ZINC000020728294 519892868 /nfs/dbraw/zinc/89/28/68/519892868.db2.gz KWYJPMMDKLZZHC-UHFFFAOYSA-N 0 0 431.544 3.304 50 0 IGAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045463 519896788 /nfs/dbraw/zinc/89/67/88/519896788.db2.gz KFJOVVSKWILGPR-SFTDATJTSA-N 0 0 426.513 3.094 50 0 IGAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044216 519896836 /nfs/dbraw/zinc/89/68/36/519896836.db2.gz ILFPEAVJISLVLW-UXHICEINSA-N 0 0 440.540 3.403 50 0 IGAARN CCN(C)C(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044577 520216273 /nfs/dbraw/zinc/21/62/73/520216273.db2.gz NQGZYNAPGNMAKJ-ROUUACIJSA-N 0 0 444.503 3.186 50 0 IGAARN CCCOc1c(OCC)cccc1[C@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000012506451 520299126 /nfs/dbraw/zinc/29/91/26/520299126.db2.gz 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CCOC(=O)C1=C(CN(Cc2cccs2)C[C@@H]2CCCO2)NC(=O)N[C@H]1c1ccco1 ZINC000036007189 520507630 /nfs/dbraw/zinc/50/76/30/520507630.db2.gz HNFLNDNMXUHNJQ-YWZLYKJASA-N 0 0 445.541 3.193 50 0 IGAARN CCOC(=O)C1=C(CN(Cc2cccs2)C[C@@H]2CCCO2)NC(=O)N[C@@H]1c1ccco1 ZINC000021584175 520507857 /nfs/dbraw/zinc/50/78/57/520507857.db2.gz HNFLNDNMXUHNJQ-MGPUTAFESA-N 0 0 445.541 3.193 50 0 IGAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415818 520515898 /nfs/dbraw/zinc/51/58/98/520515898.db2.gz RBPLWNQUAHYSJK-QHCPKHFHSA-N 0 0 435.524 3.315 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2N)NC(=O)N[C@@H]1c1cccs1 ZINC000012491572 520523029 /nfs/dbraw/zinc/52/30/29/520523029.db2.gz YAQQSYXKWZLOGM-MRXNPFEDSA-N 0 0 435.889 3.012 50 0 IGAARN CCOC(=O)C1=C(CSc2nnc(-c3c[nH]c4ccccc43)o2)NC(=O)N[C@@H]1CC ZINC000021174931 520528494 /nfs/dbraw/zinc/52/84/94/520528494.db2.gz ZXDGDFOTPOSXJB-CYBMUJFWSA-N 0 0 427.486 3.219 50 0 IGAARN CCCS(=O)(=O)c1ncc(CN(C)CCn2ccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000020599697 520546996 /nfs/dbraw/zinc/54/69/96/520546996.db2.gz VGRGBQUQZFLSJX-NRFANRHFSA-N 0 0 444.601 3.333 50 0 IGAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012782922 520553843 /nfs/dbraw/zinc/55/38/43/520553843.db2.gz JEKGISGYQQSFMI-OAQYLSRUSA-N 0 0 443.569 3.269 50 0 IGAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000021251260 520554762 /nfs/dbraw/zinc/55/47/62/520554762.db2.gz RSORZCHDRSEEFT-UHFFFAOYSA-N 0 0 431.558 3.288 50 0 IGAARN CCOC(=O)C1CCN(C(=O)CCN2c3ccccc3Sc3ncccc3C2=O)CC1 ZINC000020993478 520557048 /nfs/dbraw/zinc/55/70/48/520557048.db2.gz XLFHFKDKBYKNEC-UHFFFAOYSA-N 0 0 439.537 3.385 50 0 IGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)CO2 ZINC000035377107 520557764 /nfs/dbraw/zinc/55/77/64/520557764.db2.gz BOVMMUMESAFKJK-UHFFFAOYSA-N 0 0 445.903 3.195 50 0 IGAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022853529 520582827 /nfs/dbraw/zinc/58/28/27/520582827.db2.gz CDBDAZZOVGIHNF-SFHVURJKSA-N 0 0 444.557 3.432 50 0 IGAARN CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OCC)c1OCC ZINC000012539867 520671238 /nfs/dbraw/zinc/67/12/38/520671238.db2.gz CTUNPJAQIKJXOY-UHFFFAOYSA-N 0 0 436.530 3.385 50 0 IGAARN CCCCNC(=O)[C@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045657 520678214 /nfs/dbraw/zinc/67/82/14/520678214.db2.gz GINJTWFOHIUODJ-YADHBBJMSA-N 0 0 440.540 3.485 50 0 IGAARN CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N(C)CCc2ccccc2)c1=O ZINC000012128700 520689850 /nfs/dbraw/zinc/68/98/50/520689850.db2.gz RQSKRNLORPBSLM-UHFFFAOYSA-N 0 0 435.524 3.334 50 0 IGAARN CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 ZINC000012748808 520721653 /nfs/dbraw/zinc/72/16/53/520721653.db2.gz IFGMDJMVNUAMBE-XMMPIXPASA-N 0 0 437.496 3.358 50 0 IGAARN CCOC(=O)CN(C)C(=O)c1c(=O)cc(C)n(Cc2ccccn2)c1CCc1ccccc1 ZINC000014883248 520740862 /nfs/dbraw/zinc/74/08/62/520740862.db2.gz JFVWDEYVWTZRPS-UHFFFAOYSA-N 0 0 447.535 3.020 50 0 IGAARN CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(C)n1 ZINC000012226355 520766103 /nfs/dbraw/zinc/76/61/03/520766103.db2.gz QYVPJESVKHZORN-UHFFFAOYSA-N 0 0 442.497 3.499 50 0 IGAARN CCOC(=O)CNC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@H]1C ZINC000035564908 520783801 /nfs/dbraw/zinc/78/38/01/520783801.db2.gz VOLQAWPXCGSWMR-OAHLLOKOSA-N 0 0 447.923 3.014 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ncnc3ccccc32)c1 ZINC000012604856 520795704 /nfs/dbraw/zinc/79/57/04/520795704.db2.gz IDGVWSNNPFZNOI-UHFFFAOYSA-N 0 0 448.932 3.331 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000012562207 520795928 /nfs/dbraw/zinc/79/59/28/520795928.db2.gz XJTHWQBLRWLPGR-UHFFFAOYSA-N 0 0 426.922 3.397 50 0 IGAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)NCc4ccccc4)c3N)c(C)o2)cc1 ZINC000033291861 520819245 /nfs/dbraw/zinc/81/92/45/520819245.db2.gz DVXQUPMXKBHPSB-UHFFFAOYSA-N 0 0 432.484 3.201 50 0 IGAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000012807194 520820722 /nfs/dbraw/zinc/82/07/22/520820722.db2.gz ZOCJPKGRGDKMFU-HKUYNNGSSA-N 0 0 443.569 3.265 50 0 IGAARN CCOc1ccc(-c2noc(N3CCC(C(=O)NCc4ccccn4)CC3)n2)cc1OC ZINC000035375174 520829428 /nfs/dbraw/zinc/82/94/28/520829428.db2.gz BOVOTHWIZHNIDO-UHFFFAOYSA-N 0 0 437.500 3.072 50 0 IGAARN CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000021151288 520840173 /nfs/dbraw/zinc/84/01/73/520840173.db2.gz CBIGOSNAVUPCPO-UHFFFAOYSA-N 0 0 441.923 3.064 50 0 IGAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1Cl ZINC000012413300 520843637 /nfs/dbraw/zinc/84/36/37/520843637.db2.gz DAUIAXVACMIGCD-OAHLLOKOSA-N 0 0 440.930 3.216 50 0 IGAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(F)cc1F ZINC000020932022 520858380 /nfs/dbraw/zinc/85/83/80/520858380.db2.gz WXFFLEPABNTZFV-LJQANCHMSA-N 0 0 448.466 3.473 50 0 IGAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(OC)cc1 ZINC000020932075 520901366 /nfs/dbraw/zinc/90/13/66/520901366.db2.gz GBETURQUMXUINP-FQEVSTJZSA-N 0 0 442.512 3.204 50 0 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CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1cccc(Cl)c1Cl ZINC000008748174 556210033 /nfs/dbraw/zinc/21/00/33/556210033.db2.gz NYIHORJUBZLXER-CYBMUJFWSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(N)=O ZINC000010606275 556212580 /nfs/dbraw/zinc/21/25/80/556212580.db2.gz CGBGYFIIMXPBPF-AEFFLSMTSA-N 0 0 444.601 3.229 50 0 IGAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1O ZINC000008781323 556215032 /nfs/dbraw/zinc/21/50/32/556215032.db2.gz KCGJPQIGKYTZQW-GOSISDBHSA-N 0 0 432.860 3.304 50 0 biogenic,in-vitro IGAARN Cc1c(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)c(=O)n(-c2ccccc2)n1C ZINC000008854714 556227366 /nfs/dbraw/zinc/22/73/66/556227366.db2.gz BUKRRHTUJABFHX-UHFFFAOYSA-N 0 0 445.508 3.035 50 0 IGAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(=O)OC)cc1)C(C(=O)OC)=C(C)N2 ZINC000008884066 556230685 /nfs/dbraw/zinc/23/06/85/556230685.db2.gz UAADMPKYTPZGTJ-HNNXBMFYSA-N 0 0 429.498 3.063 50 0 IGAARN 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CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000011780756 556655282 /nfs/dbraw/zinc/65/52/82/556655282.db2.gz PGOLNPRUYJJJOD-UHFFFAOYSA-N 0 0 435.981 3.496 50 0 IGAARN CCOC(=O)CNC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(OC)c1 ZINC000033008646 556656202 /nfs/dbraw/zinc/65/62/02/556656202.db2.gz NDVBJFGNNYYXKG-UHFFFAOYSA-N 0 0 428.470 3.242 50 0 IGAARN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1 ZINC000011789640 556656614 /nfs/dbraw/zinc/65/66/14/556656614.db2.gz GJXPTFYGSIJAIG-HNNXBMFYSA-N 0 0 425.558 3.184 50 0 IGAARN CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@H]4[C@H](O)C[C@@]32CO)OCCO6)OCCO1 ZINC000248040225 556657896 /nfs/dbraw/zinc/65/78/96/556657896.db2.gz SPRGBCQVWWNTQI-YKYCMUQVSA-N 0 0 436.589 3.095 50 0 IGAARN CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C1CCCCC1 ZINC000011834768 556659079 /nfs/dbraw/zinc/65/90/79/556659079.db2.gz LLFSYYXNJKJPDS-IAGOWNOFSA-N 0 0 446.544 3.170 50 0 IGAARN Cn1nccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C(C)(C)C)C2 ZINC000017097171 556661130 /nfs/dbraw/zinc/66/11/30/556661130.db2.gz JYEAEWYDDHNXKN-CQSZACIVSA-N 0 0 430.574 3.357 50 0 IGAARN COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000011854965 556662124 /nfs/dbraw/zinc/66/21/24/556662124.db2.gz QVWLSUQTFWPHOE-UHFFFAOYSA-N 0 0 435.509 3.491 50 0 IGAARN COc1ccc(CCNC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1OC ZINC000011856811 556662429 /nfs/dbraw/zinc/66/24/29/556662429.db2.gz TZZQZPHGYMRSOR-UHFFFAOYSA-N 0 0 427.428 3.348 50 0 IGAARN COc1cc(OC)c(C)c(N2Cc3cnc([S@@](C)=O)nc3N(C3CCCC3)C2=O)c1 ZINC000044126763 556666139 /nfs/dbraw/zinc/66/61/39/556666139.db2.gz GGPBJBAHBCHJBP-PMERELPUSA-N 0 0 430.530 3.429 50 0 IGAARN COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000044803465 556667804 /nfs/dbraw/zinc/66/78/04/556667804.db2.gz CENMEEKQENJUAT-IBGZPJMESA-N 0 0 431.540 3.204 50 0 IGAARN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000044803468 556667876 /nfs/dbraw/zinc/66/78/76/556667876.db2.gz 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CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000044901776 556678193 /nfs/dbraw/zinc/67/81/93/556678193.db2.gz LUMRJCWREDZCSL-KRWDZBQOSA-N 0 0 426.542 3.437 50 0 IGAARN COc1ccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000012010035 556681038 /nfs/dbraw/zinc/68/10/38/556681038.db2.gz SRTRNXROIDOPET-UHFFFAOYSA-N 0 0 445.479 3.284 50 0 IGAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(Br)o2)[nH]c(=O)c1C ZINC000012008393 556681045 /nfs/dbraw/zinc/68/10/45/556681045.db2.gz XZBPNKLABGBCBW-UHFFFAOYSA-N 0 0 444.245 3.440 50 0 IGAARN COc1ccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000012008464 556681058 /nfs/dbraw/zinc/68/10/58/556681058.db2.gz HTQDMXKJRPKDIA-UHFFFAOYSA-N 0 0 433.468 3.412 50 0 IGAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000018283831 556688953 /nfs/dbraw/zinc/68/89/53/556688953.db2.gz PONFXZVCBOUXAZ-IBGZPJMESA-N 0 0 436.537 3.149 50 0 IGAARN O=C(NCCSCc1ccsc1)C(=O)Nc1cccc(I)c1 ZINC000032937325 556690045 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3.052 50 0 IGAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CCN(C(C)=O)C1 ZINC000065292012 556706755 /nfs/dbraw/zinc/70/67/55/556706755.db2.gz OLEKGJYEEPBGHS-XMMPIXPASA-N 0 0 447.645 3.442 50 0 IGAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000019148278 556707172 /nfs/dbraw/zinc/70/71/72/556707172.db2.gz VKLKSBNZQLYZBM-OAQYLSRUSA-N 0 0 426.538 3.298 50 0 IGAARN COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3(O)C(F)(F)F)[nH]n2)cc1OC ZINC000033027870 556708167 /nfs/dbraw/zinc/70/81/67/556708167.db2.gz DCTMRWZIHFZGMF-BLVKFPJESA-N 0 0 438.406 3.347 50 0 IGAARN COc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3(O)C(F)(F)F)[nH]n2)cc1OC ZINC000033027868 556708180 /nfs/dbraw/zinc/70/81/80/556708180.db2.gz DCTMRWZIHFZGMF-BUXKBTBVSA-N 0 0 438.406 3.347 50 0 IGAARN O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000071906465 556710686 /nfs/dbraw/zinc/71/06/86/556710686.db2.gz HOIBZLYMYXEXIX-CYBMUJFWSA-N 0 0 438.377 3.285 50 0 IGAARN O=c1oc2c(ccc3c2CN([C@@H]2CCS(=O)(=O)C2)CO3)cc1-c1ccc(Cl)cc1 ZINC000013691936 556711643 /nfs/dbraw/zinc/71/16/43/556711643.db2.gz QMXCOUZUVHUQNI-MRXNPFEDSA-N 0 0 431.897 3.452 50 0 IGAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCOCC4)c3)C2)cc1 ZINC000033034894 556716838 /nfs/dbraw/zinc/71/68/38/556716838.db2.gz QMODBSLTHDPHHB-RUZDIDTESA-N 0 0 449.595 3.331 50 0 IGAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc2N2CCCC2)cc1 ZINC000011135755 556719408 /nfs/dbraw/zinc/71/94/08/556719408.db2.gz XCQFNXQEPQNQNG-HNNXBMFYSA-N 0 0 430.578 3.281 50 0 IGAARN CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 ZINC000061718361 556724912 /nfs/dbraw/zinc/72/49/12/556724912.db2.gz FXZIYNVWNZZJAN-INIZCTEOSA-N 0 0 436.493 3.021 50 0 IGAARN O=C(c1ccco1)N1CCN(C(=O)c2c[nH]nc2-c2cccc(Br)c2)CC1 ZINC000072328700 556726500 /nfs/dbraw/zinc/72/65/00/556726500.db2.gz QNVYBHZCOWCSRA-UHFFFAOYSA-N 0 0 429.274 3.030 50 0 IGAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CN3CCC(O)CC3)nc(=O)c12 ZINC000033040081 556731908 /nfs/dbraw/zinc/73/19/08/556731908.db2.gz SDYIDEJMUFJPTF-UHFFFAOYSA-N 0 0 426.542 3.119 50 0 IGAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N(C)CC(=O)NC2CC2)n1 ZINC000019297089 556734498 /nfs/dbraw/zinc/73/44/98/556734498.db2.gz SHRNMRCUUGBTNU-UHFFFAOYSA-N 0 0 426.567 3.496 50 0 IGAARN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000055104294 556734913 /nfs/dbraw/zinc/73/49/13/556734913.db2.gz QRUNROLVRNCCHJ-UHFFFAOYSA-N 0 0 429.542 3.285 50 0 IGAARN Cn1cc(CN2CCN(c3nc4ccccc4o3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055244578 556738637 /nfs/dbraw/zinc/73/86/37/556738637.db2.gz KMEIONAQPAODEJ-UHFFFAOYSA-N 0 0 431.496 3.322 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000080338597 556738930 /nfs/dbraw/zinc/73/89/30/556738930.db2.gz APTREDVAOIKJCA-OAHLLOKOSA-N 0 0 443.935 3.157 50 0 IGAARN COC(=O)c1sc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C(=O)OC)c1C ZINC000033047643 556743214 /nfs/dbraw/zinc/74/32/14/556743214.db2.gz DVWOYORZCFRAHU-UHFFFAOYSA-N 0 0 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ZINC000062006926 556764939 /nfs/dbraw/zinc/76/49/39/556764939.db2.gz LETKBLBDELSKTQ-UHFFFAOYSA-N 0 0 436.512 3.351 50 0 IGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000062012581 556765953 /nfs/dbraw/zinc/76/59/53/556765953.db2.gz JNBIHLWHLCSKTI-UHFFFAOYSA-N 0 0 449.902 3.242 50 0 IGAARN CCN(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)cc1 ZINC000058171814 556768195 /nfs/dbraw/zinc/76/81/95/556768195.db2.gz DBRRDODPPQPHIB-OAQYLSRUSA-N 0 0 429.948 3.468 50 0 IGAARN CCn1c2ccccc2n(CCC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1=O ZINC000058264059 556775982 /nfs/dbraw/zinc/77/59/82/556775982.db2.gz RJYHPIGUCXKOGY-HXUWFJFHSA-N 0 0 434.500 3.172 50 0 IGAARN CC[C@H]1CCCCN1C(=O)CCNC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000058289464 556777777 /nfs/dbraw/zinc/77/77/77/556777777.db2.gz KDINJJVHCVGYIR-SFHVURJKSA-N 0 0 427.501 3.208 50 0 IGAARN O=C(NC[C@H]1CCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1)Nc1ccccc1 ZINC000058315861 556780327 /nfs/dbraw/zinc/78/03/27/556780327.db2.gz 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Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC(F)(F)F)cc3)=C2)cc1 ZINC000020366900 557011892 /nfs/dbraw/zinc/01/18/92/557011892.db2.gz STKGFEDGRAGKCB-UHFFFAOYSA-N 0 0 439.415 3.396 50 0 IGAARN Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000023134626 557017294 /nfs/dbraw/zinc/01/72/94/557017294.db2.gz FALMOQYYEQMLGG-UHFFFAOYSA-N 0 0 431.327 3.236 50 0 IGAARN CCCCOc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)cc1 ZINC000023134613 557017307 /nfs/dbraw/zinc/01/73/07/557017307.db2.gz ZSJSOIHCBQRTIC-UHFFFAOYSA-N 0 0 434.544 3.108 50 0 IGAARN CCn1c(SCC(=O)N2CCC(C(=O)OC)CC2)nnc1-c1cc2ccccc2o1 ZINC000010681965 557017651 /nfs/dbraw/zinc/01/76/51/557017651.db2.gz RWPGRDKGNHYCCN-UHFFFAOYSA-N 0 0 428.514 3.215 50 0 IGAARN CCOc1ccccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000046004503 557019330 /nfs/dbraw/zinc/01/93/30/557019330.db2.gz JOPBJGGTDVROHY-UHFFFAOYSA-N 0 0 448.589 3.348 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000023140342 557022711 /nfs/dbraw/zinc/02/27/11/557022711.db2.gz ZRVMBLNNGVGPDG-CQSZACIVSA-N 0 0 432.527 3.325 50 0 IGAARN COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nn2)cc1 ZINC000023142667 557024699 /nfs/dbraw/zinc/02/46/99/557024699.db2.gz KWNXBYRIYXUYGG-LJQANCHMSA-N 0 0 446.507 3.414 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCc3ccc(C)o3)C2)c1C ZINC000046046441 557025494 /nfs/dbraw/zinc/02/54/94/557025494.db2.gz BCTOXWJHNLUXHZ-SFHVURJKSA-N 0 0 443.544 3.197 50 0 IGAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000023151214 557027965 /nfs/dbraw/zinc/02/79/65/557027965.db2.gz LHKGFMUCGPNERT-NRFANRHFSA-N 0 0 448.527 3.195 50 0 IGAARN NC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153899 557028617 /nfs/dbraw/zinc/02/86/17/557028617.db2.gz ULJJIIDBNHGELL-LJQANCHMSA-N 0 0 449.532 3.184 50 0 IGAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032945327 557029001 /nfs/dbraw/zinc/02/90/01/557029001.db2.gz 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CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C ZINC000046146153 557044265 /nfs/dbraw/zinc/04/42/65/557044265.db2.gz ZRSLMHLLTASTNX-UHFFFAOYSA-N 0 0 435.933 3.357 50 0 IGAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccccc1OCC)n(C)c(=O)n2C ZINC000046146144 557044299 /nfs/dbraw/zinc/04/42/99/557044299.db2.gz AZPYSQVVMNSNJR-UHFFFAOYSA-N 0 0 445.541 3.102 50 0 IGAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000022921686 557047353 /nfs/dbraw/zinc/04/73/53/557047353.db2.gz CGXRTVMHPPUKHU-UHFFFAOYSA-N 0 0 438.572 3.340 50 0 IGAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)ccc1OCC(C)C ZINC000033271327 557048950 /nfs/dbraw/zinc/04/89/50/557048950.db2.gz XMWFMPOLURCQIQ-MRXNPFEDSA-N 0 0 447.499 3.136 50 0 IGAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(Br)c1)CC(=O)N2 ZINC000033271394 557049140 /nfs/dbraw/zinc/04/91/40/557049140.db2.gz VDNTWMXAZVBDOW-AWEZNQCLSA-N 0 0 438.289 3.163 50 0 IGAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022930888 557049728 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IGAARN COc1ccc(OC)c(S(=O)(=O)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000033274020 557053136 /nfs/dbraw/zinc/05/31/36/557053136.db2.gz FQWUYAHCLXWMEZ-UHFFFAOYSA-N 0 0 439.287 3.490 50 0 IGAARN CCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)c(OC)c2)C(C(N)=O)=C(C)N3)cc1 ZINC000017314999 557053184 /nfs/dbraw/zinc/05/31/84/557053184.db2.gz NRIUKXQCTQUPQQ-HXUWFJFHSA-N 0 0 435.484 3.135 50 0 IGAARN O=S(=O)(c1ccc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)o1)N1CCCC1 ZINC000048288307 557053972 /nfs/dbraw/zinc/05/39/72/557053972.db2.gz GFRLBBBTYCRFDE-UHFFFAOYSA-N 0 0 445.372 3.088 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000048274438 557055814 /nfs/dbraw/zinc/05/58/14/557055814.db2.gz BNPIRPWMMWTPRF-GOTSBHOMSA-N 0 0 442.581 3.411 50 0 IGAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000022980910 557055845 /nfs/dbraw/zinc/05/58/45/557055845.db2.gz KSKHAOYJSACRCI-GOSISDBHSA-N 0 0 437.587 3.170 50 0 IGAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 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LTJGMZGVPBIRCG-QFIPXVFZSA-N 0 0 440.544 3.326 50 0 IGAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 ZINC000017333126 557060386 /nfs/dbraw/zinc/06/03/86/557060386.db2.gz MFULEHFYLYXMTQ-QGZVFWFLSA-N 0 0 425.554 3.119 50 0 IGAARN CN1CCN(S(=O)(=O)c2ccc(SCc3coc(-c4ccc(F)cc4)n3)nc2)CC1 ZINC000023055320 557060869 /nfs/dbraw/zinc/06/08/69/557060869.db2.gz WYZVKNXVSLOESN-UHFFFAOYSA-N 0 0 448.545 3.104 50 0 IGAARN Cc1ccc(CN(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@@H]2CCc3ccccc32)cc1 ZINC000048299302 557061700 /nfs/dbraw/zinc/06/17/00/557061700.db2.gz LWJPZEISRBKOSB-JTHBVZDNSA-N 0 0 426.582 3.130 50 0 IGAARN O=C(NCc1ccccc1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000048299722 557061749 /nfs/dbraw/zinc/06/17/49/557061749.db2.gz FOMIIUHWAJTEGW-UHFFFAOYSA-N 0 0 438.549 3.049 50 0 IGAARN COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC1CC1 ZINC000017355912 557062297 /nfs/dbraw/zinc/06/22/97/557062297.db2.gz NSYHCCMWFGUMLW-KWJFTMPMSA-N 0 0 432.586 3.471 50 0 IGAARN CCc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)c1 ZINC000023078942 557062425 /nfs/dbraw/zinc/06/24/25/557062425.db2.gz ZQFCMWHENAANEC-GOSISDBHSA-N 0 0 441.553 3.025 50 0 IGAARN COc1ccc(CN2CCN(C(=O)CCc3nc(-c4ccsc4)no3)CC2)cc1F ZINC000023081051 557062750 /nfs/dbraw/zinc/06/27/50/557062750.db2.gz IAHFFJBNKKXIAD-UHFFFAOYSA-N 0 0 430.505 3.223 50 0 IGAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(Cc2cccc3ccccc32)nn1 ZINC000023129171 557066307 /nfs/dbraw/zinc/06/63/07/557066307.db2.gz ILLVFEKIQSOVEH-UHFFFAOYSA-N 0 0 433.556 3.245 50 0 IGAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(CN3CCOCC3)c2)cc1 ZINC000048313331 557067344 /nfs/dbraw/zinc/06/73/44/557067344.db2.gz FTUJQCXAMFMLCJ-UHFFFAOYSA-N 0 0 439.541 3.087 50 0 IGAARN COc1ccc(OCC(=O)N2CCc3c(c(COCc4ccccc4C)nn3C)C2)cc1 ZINC000033282621 557068056 /nfs/dbraw/zinc/06/80/56/557068056.db2.gz SMROZLGPDQNOEX-UHFFFAOYSA-N 0 0 435.524 3.418 50 0 IGAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000017360472 557069350 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557083978 /nfs/dbraw/zinc/08/39/78/557083978.db2.gz CNUIVPLPOQPONY-UHFFFAOYSA-N 0 0 440.544 3.388 50 0 IGAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000049004957 557084066 /nfs/dbraw/zinc/08/40/66/557084066.db2.gz KRDAPSWDMBANTD-UHFFFAOYSA-N 0 0 442.566 3.274 50 0 IGAARN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cc1 ZINC000023337821 557084808 /nfs/dbraw/zinc/08/48/08/557084808.db2.gz AUOVYOAANFBFIJ-QGZVFWFLSA-N 0 0 445.566 3.049 50 0 IGAARN O=C(NCc1ccc(F)cc1F)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000049006069 557084872 /nfs/dbraw/zinc/08/48/72/557084872.db2.gz OROKSMGNPXNQMV-UHFFFAOYSA-N 0 0 426.423 3.314 50 0 IGAARN CCOc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000023364514 557087944 /nfs/dbraw/zinc/08/79/44/557087944.db2.gz ZKNFFUKAHZKQOM-QGZVFWFLSA-N 0 0 444.963 3.322 50 0 IGAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 ZINC000023369334 557088388 /nfs/dbraw/zinc/08/83/88/557088388.db2.gz DNOBPPQVRYQIIR-IBGZPJMESA-N 0 0 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C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)C1=O ZINC000024863762 557172928 /nfs/dbraw/zinc/17/29/28/557172928.db2.gz WWCACFJFGIQASK-AWEZNQCLSA-N 0 0 449.488 3.157 50 0 IGAARN C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000024839935 557173192 /nfs/dbraw/zinc/17/31/92/557173192.db2.gz UCMGULODOVGUDO-OAHLLOKOSA-N 0 0 427.505 3.362 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 ZINC000024864942 557174927 /nfs/dbraw/zinc/17/49/27/557174927.db2.gz YEGIMZRDGYMAKS-UHFFFAOYSA-N 0 0 435.502 3.364 50 0 IGAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3Br)sc2c1 ZINC000000783728 557176701 /nfs/dbraw/zinc/17/67/01/557176701.db2.gz BAKCWHUWHIAMST-UHFFFAOYSA-N 0 0 441.328 3.480 50 0 IGAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000008857588 557177699 /nfs/dbraw/zinc/17/76/99/557177699.db2.gz YHANQUYJGBNXLB-UHFFFAOYSA-N 0 0 429.311 3.108 50 0 IGAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)n1 ZINC000024924609 557179533 /nfs/dbraw/zinc/17/95/33/557179533.db2.gz 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CCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)CCS(=O)(=O)c1ccccc1 ZINC000101035778 557214417 /nfs/dbraw/zinc/21/44/17/557214417.db2.gz BHGIXTSLDXZQQY-MRCUWXFGSA-N 0 0 434.539 3.031 50 0 IGAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000011622374 557215007 /nfs/dbraw/zinc/21/50/07/557215007.db2.gz HARBGUSRJOTEOT-YMXMSLLWSA-N 0 0 427.574 3.296 50 0 IGAARN C[C@@H]1C(=O)N(CC(=O)NCCCOCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000025605466 557218433 /nfs/dbraw/zinc/21/84/33/557218433.db2.gz FNJXXUOAZSBFKM-MRXNPFEDSA-N 0 0 429.904 3.220 50 0 IGAARN CCOc1cc2c(cc1NC(=O)[C@@H]1CS[C@@H](Cc3ccc(F)cc3)C(=O)N1)O[C@@H](C)C2 ZINC000025609422 557218968 /nfs/dbraw/zinc/21/89/68/557218968.db2.gz JNXKSOGKKMWFJH-FPSMJMQUSA-N 0 0 444.528 3.329 50 0 IGAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)c(F)c1 ZINC000010993741 557219702 /nfs/dbraw/zinc/21/97/02/557219702.db2.gz NBMHTCWGYSVUSE-UHFFFAOYSA-N 0 0 438.440 3.386 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCOc3ccccc3F)CC2)cc1 ZINC000010998637 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O=C(Nc1ccc(N2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)nc1)c1ccco1 ZINC000023321419 557232594 /nfs/dbraw/zinc/23/25/94/557232594.db2.gz DTCGGXCGLKNECS-UHFFFAOYSA-N 0 0 430.386 3.307 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)s1 ZINC000026057554 557232813 /nfs/dbraw/zinc/23/28/13/557232813.db2.gz RFNMWQDTTYAGGT-UHFFFAOYSA-N 0 0 428.535 3.159 50 0 IGAARN Cc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)ccc1F ZINC000026054841 557232910 /nfs/dbraw/zinc/23/29/10/557232910.db2.gz YHEMCLAJHVQJAI-UHFFFAOYSA-N 0 0 433.549 3.305 50 0 IGAARN O=C(CCc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000011694089 557232926 /nfs/dbraw/zinc/23/29/26/557232926.db2.gz WGMUMJLEHMRUPG-UHFFFAOYSA-N 0 0 425.916 3.386 50 0 IGAARN Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1C ZINC000018041000 557234355 /nfs/dbraw/zinc/23/43/55/557234355.db2.gz NNAHMZMGWWDAMX-SFHVURJKSA-N 0 0 427.932 3.402 50 0 IGAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)ccc1Cl ZINC000026121653 557235281 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557282993 /nfs/dbraw/zinc/28/29/93/557282993.db2.gz VPVVFVIKYHBGGM-NRFANRHFSA-N 0 0 435.524 3.260 50 0 IGAARN COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 ZINC000101128545 557283462 /nfs/dbraw/zinc/28/34/62/557283462.db2.gz JBEVTSXUNAAXKV-SGNDLWITSA-N 0 0 427.504 3.311 50 0 IGAARN CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3cccc(OC)c3)C2=O)cc1 ZINC000101160234 557283857 /nfs/dbraw/zinc/28/38/57/557283857.db2.gz FEKFNCJJQKXFQS-IBGZPJMESA-N 0 0 428.510 3.488 50 0 IGAARN Cc1cccc(CCNC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)c1 ZINC000101601589 557291292 /nfs/dbraw/zinc/29/12/92/557291292.db2.gz HJRFSHPBOQZDKG-UHFFFAOYSA-N 0 0 445.563 3.412 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 ZINC000101326305 557291415 /nfs/dbraw/zinc/29/14/15/557291415.db2.gz KRVRDNWUIPNHGW-WOJBJXKFSA-N 0 0 442.493 3.092 50 0 IGAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000011665800 557292259 /nfs/dbraw/zinc/29/22/59/557292259.db2.gz 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Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N ZINC000023942941 557388114 /nfs/dbraw/zinc/38/81/14/557388114.db2.gz YNUPESOMKDRBPW-LBPRGKRZSA-N 0 0 438.311 3.493 50 0 IGAARN O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1 ZINC000011693927 557391918 /nfs/dbraw/zinc/39/19/18/557391918.db2.gz MHFIPFVIPAYDNO-UHFFFAOYSA-N 0 0 425.851 3.322 50 0 IGAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1OC ZINC000011694908 557392933 /nfs/dbraw/zinc/39/29/33/557392933.db2.gz GBELCMRJYJHUSH-XMDBHEJHSA-N 0 0 437.500 3.352 50 0 IGAARN COc1ccc(CC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1OC ZINC000011695722 557393398 /nfs/dbraw/zinc/39/33/98/557393398.db2.gz KSRPYHXEPNJFOG-UHFFFAOYSA-N 0 0 440.931 3.434 50 0 IGAARN COC(=O)CC1CCN(C(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)CC1 ZINC000072406175 557398907 /nfs/dbraw/zinc/39/89/07/557398907.db2.gz RHSIYUHPMZYEIN-UHFFFAOYSA-N 0 0 434.492 3.415 50 0 IGAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000033497551 557402070 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O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000051316790 557465767 /nfs/dbraw/zinc/46/57/67/557465767.db2.gz CXXXSZXLFBTASY-UHFFFAOYSA-N 0 0 439.447 3.068 50 0 IGAARN Cc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316823 557465841 /nfs/dbraw/zinc/46/58/41/557465841.db2.gz MHOBQJIMCHNYCL-UHFFFAOYSA-N 0 0 441.463 3.104 50 0 IGAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccn1C ZINC000105009778 557472052 /nfs/dbraw/zinc/47/20/52/557472052.db2.gz VXGROLNGFJTTPR-FCHUYYIVSA-N 0 0 440.519 3.260 50 0 IGAARN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000105664961 557509983 /nfs/dbraw/zinc/50/99/83/557509983.db2.gz KLEWIAORGQQMCJ-ZNMIVQPWSA-N 0 0 429.966 3.309 50 0 IGAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000047152465 557517978 /nfs/dbraw/zinc/51/79/78/557517978.db2.gz SETCKUZHXSYNFK-WQRHYEAKSA-N 0 0 428.466 3.475 50 0 IGAARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 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O=C(C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1)N1CCCCC1 ZINC000045967489 557557164 /nfs/dbraw/zinc/55/71/64/557557164.db2.gz RVYQSBCCJIBSAU-UHFFFAOYSA-N 0 0 431.540 3.069 50 0 IGAARN O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 ZINC000045970829 557558300 /nfs/dbraw/zinc/55/83/00/557558300.db2.gz YMQSZBUKHXVIBJ-UHFFFAOYSA-N 0 0 445.976 3.328 50 0 IGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)CC2)cc1F ZINC000040113911 557701415 /nfs/dbraw/zinc/70/14/15/557701415.db2.gz LQYODRWPIRTYJR-ZHRRBRCNSA-N 0 0 426.488 3.217 50 0 IGAARN COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)COc2ccccc2-c2ccccc2)nn1 ZINC000040152512 557704354 /nfs/dbraw/zinc/70/43/54/557704354.db2.gz SBWLUEASIIUZST-PZJWPPBQSA-N 0 0 434.496 3.411 50 0 IGAARN COC(=O)c1ccc(CNS(=O)(=O)c2cccc3cncc(Br)c32)cc1 ZINC000225392209 557718061 /nfs/dbraw/zinc/71/80/61/557718061.db2.gz JKKAPLODEFQQKY-UHFFFAOYSA-N 0 0 435.299 3.262 50 0 IGAARN CO[C@@]1(C)CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000225435969 557722572 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IGAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000226404997 557806759 /nfs/dbraw/zinc/80/67/59/557806759.db2.gz ALETUIYAARVBEA-MAODMQOUSA-N 0 0 432.476 3.325 50 0 IGAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000229721330 557833120 /nfs/dbraw/zinc/83/31/20/557833120.db2.gz BHFZDEZYDGGBES-OAGGEKHMSA-N 0 0 432.590 3.446 50 0 IGAARN Cc1cccc2c1ncn(CCCC(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c2=O ZINC000229708879 557833127 /nfs/dbraw/zinc/83/31/27/557833127.db2.gz PPVSAFMZKIEPDQ-MJKGWSOKSA-N 0 0 427.545 3.358 50 0 IGAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000000862473 557836103 /nfs/dbraw/zinc/83/61/03/557836103.db2.gz QTLFFXGBONDYOQ-HXUWFJFHSA-N 0 0 443.525 3.153 50 0 IGAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@@H]12 ZINC000000866633 557839998 /nfs/dbraw/zinc/83/99/98/557839998.db2.gz IQDGTIMMBAGMCX-OLJONYEBSA-N 0 0 426.472 3.251 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)C[C@@H](C)O1 ZINC000014359975 557840389 /nfs/dbraw/zinc/84/03/89/557840389.db2.gz RLBAHLGZXBEFIN-YVHKJVDXSA-N 0 0 428.554 3.292 50 0 IGAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1 ZINC000239287452 557843663 /nfs/dbraw/zinc/84/36/63/557843663.db2.gz CVAXXIZYLRVQGF-NJDAHSKKSA-N 0 0 439.487 3.115 50 0 IGAARN CN(C)c1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000239287439 557843672 /nfs/dbraw/zinc/84/36/72/557843672.db2.gz CUBJUDWTXZYSGW-PUFAWVJESA-N 0 0 447.572 3.476 50 0 IGAARN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000241401148 557846468 /nfs/dbraw/zinc/84/64/68/557846468.db2.gz NBLWJBHRIAFWCC-IBGZPJMESA-N 0 0 447.557 3.110 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000000874121 557847959 /nfs/dbraw/zinc/84/79/59/557847959.db2.gz DYYGNMSXFNJJMU-UHFFFAOYSA-N 0 0 444.513 3.247 50 0 IGAARN CCOC(=O)CSCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000018709259 557855557 /nfs/dbraw/zinc/85/55/57/557855557.db2.gz QWDIFAHHRMYDBT-UHFFFAOYSA-N 0 0 436.125 3.244 50 0 IGAARN CC[C@@H]1CCc2sc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)cc2C1 ZINC000025055259 557857476 /nfs/dbraw/zinc/85/74/76/557857476.db2.gz JMQIDOUQRREKSJ-GOSISDBHSA-N 0 0 425.598 3.337 50 0 IGAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000906357 562919513 /nfs/dbraw/zinc/91/95/13/562919513.db2.gz GPHLAGJTUFOROM-GOSISDBHSA-N 0 0 426.450 3.322 50 0 IGAARN CCOC(=O)[C@](NC(=O)N(C1=NC[C@@H](C)S1)C1CCCCC1)(OC)C(F)(F)F ZINC000001659530 562924231 /nfs/dbraw/zinc/92/42/31/562924231.db2.gz RBVQLKSRTDJHBW-BZNIZROVSA-N 0 0 425.473 3.290 50 0 IGAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)c1 ZINC000002624175 562928563 /nfs/dbraw/zinc/92/85/63/562928563.db2.gz KHRUYGDISZSOKW-UHFFFAOYSA-N 0 0 427.482 3.403 50 0 IGAARN CC(=O)c1ccc(-n2c3sc(C(=O)c4ccc(Cl)cc4)c(N)c3c(=O)[nH]c2=O)cc1 ZINC000002638281 562929015 /nfs/dbraw/zinc/92/90/15/562929015.db2.gz DUEYLRLCKYDRQC-UHFFFAOYSA-N 0 0 439.880 3.410 50 0 IGAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1 ZINC000003036137 562931951 /nfs/dbraw/zinc/93/19/51/562931951.db2.gz LNASIENRJZIUEO-UHFFFAOYSA-N 0 0 431.739 3.087 50 0 IGAARN COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC ZINC000003257790 562933418 /nfs/dbraw/zinc/93/34/18/562933418.db2.gz BJXJECMTTJKIHJ-UHFFFAOYSA-N 0 0 429.256 3.139 50 0 IGAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3OC)nc2c1 ZINC000003265653 562933581 /nfs/dbraw/zinc/93/35/81/562933581.db2.gz VJJDACMCJHAVIW-UHFFFAOYSA-N 0 0 436.511 3.369 50 0 IGAARN COc1ccc(CNC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1OC ZINC000003283148 562933664 /nfs/dbraw/zinc/93/36/64/562933664.db2.gz XHLCVXPCOIOINE-VQHVLOKHSA-N 0 0 434.286 3.339 50 0 IGAARN Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000003365311 562934927 /nfs/dbraw/zinc/93/49/27/562934927.db2.gz GHWIDOPAXYVAFG-FQEVSTJZSA-N 0 0 435.476 3.477 50 0 aggregator IGAARN COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003408710 562935249 /nfs/dbraw/zinc/93/52/49/562935249.db2.gz GGCGVGUNHULDAV-UHFFFAOYSA-N 0 0 435.889 3.479 50 0 IGAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661132 562937628 /nfs/dbraw/zinc/93/76/28/562937628.db2.gz WVBNINPRELCVIX-DHIUTWEWSA-N 0 0 431.492 3.326 50 0 IGAARN CC[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCc1cccnc1 ZINC000004057199 562941303 /nfs/dbraw/zinc/94/13/03/562941303.db2.gz WOFZGKFWGMBOIF-PXNSSMCTSA-N 0 0 438.553 3.158 50 0 IGAARN Cn1cccc1Cc1nnc(SCC(=O)NCc2ccco2)n1CCc1ccccc1 ZINC000004077270 562941554 /nfs/dbraw/zinc/94/15/54/562941554.db2.gz RXMIKAWXBLXXDA-UHFFFAOYSA-N 0 0 435.553 3.452 50 0 IGAARN CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC ZINC000004078904 562941604 /nfs/dbraw/zinc/94/16/04/562941604.db2.gz IQZBXVNNHGLQLL-UHFFFAOYSA-N 0 0 439.556 3.389 50 0 aggregator IGAARN O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000004143354 562942307 /nfs/dbraw/zinc/94/23/07/562942307.db2.gz VTYCJHHVYGONQR-NSHDSACASA-N 0 0 449.417 3.289 50 0 IGAARN CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000006577404 562947601 /nfs/dbraw/zinc/94/76/01/562947601.db2.gz ARGDMLJTFIVXSR-UHFFFAOYSA-N 0 0 427.478 3.475 50 0 aggregator IGAARN Cc1ccccc1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000006901454 562948539 /nfs/dbraw/zinc/94/85/39/562948539.db2.gz YDLBZXYKCZHLFG-UHFFFAOYSA-N 0 0 425.554 3.441 50 0 IGAARN CCC(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000008396948 562949234 /nfs/dbraw/zinc/94/92/34/562949234.db2.gz MZQKMHPUONVZJI-UHFFFAOYSA-N 0 0 438.919 3.232 50 0 IGAARN COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(Cl)cc2)s1 ZINC000008588205 562950693 /nfs/dbraw/zinc/95/06/93/562950693.db2.gz LEANCGUAFJOZOX-UHFFFAOYSA-N 0 0 438.918 3.278 50 0 IGAARN COc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O ZINC000008589240 562951162 /nfs/dbraw/zinc/95/11/62/562951162.db2.gz WEZWYMNWDFPAKL-UHFFFAOYSA-N 0 0 445.431 3.198 50 0 IGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)c1 ZINC000008591232 562952028 /nfs/dbraw/zinc/95/20/28/562952028.db2.gz WIZHFMCOEYXOSA-UHFFFAOYSA-N 0 0 440.843 3.361 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)cc1 ZINC000008594665 562953067 /nfs/dbraw/zinc/95/30/67/562953067.db2.gz UWNHGLMWOCWADM-UHFFFAOYSA-N 0 0 437.500 3.298 50 0 IGAARN CCCCN(CC)C(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000008598333 562954245 /nfs/dbraw/zinc/95/42/45/562954245.db2.gz DMSOQEPSDXSENU-UHFFFAOYSA-N 0 0 438.619 3.425 50 0 IGAARN CN(C)c1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)c1 ZINC000008598490 562954310 /nfs/dbraw/zinc/95/43/10/562954310.db2.gz CICLKMWOKPYDMW-UHFFFAOYSA-N 0 0 430.555 3.399 50 0 IGAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)c1 ZINC000008598671 562954374 /nfs/dbraw/zinc/95/43/74/562954374.db2.gz GQZQSVAKSDRODE-SFHVURJKSA-N 0 0 441.553 3.309 50 0 IGAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008600299 562955037 /nfs/dbraw/zinc/95/50/37/562955037.db2.gz OYKHYWJAUSJXPA-UHFFFAOYSA-N 0 0 445.405 3.397 50 0 IGAARN CCOc1ccc(Cn2c(CNS(=O)(=O)c3cccs3)nc3cccnc32)cc1 ZINC000008600440 562955046 /nfs/dbraw/zinc/95/50/46/562955046.db2.gz QZEMASWJHDGPAL-UHFFFAOYSA-N 0 0 428.539 3.418 50 0 IGAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 ZINC000008601841 562955681 /nfs/dbraw/zinc/95/56/81/562955681.db2.gz VSAGOFKZYYPCRD-UHFFFAOYSA-N 0 0 434.521 3.109 50 0 IGAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1C ZINC000008601896 562955719 /nfs/dbraw/zinc/95/57/19/562955719.db2.gz WMOZKLLQIHGKPO-QGZVFWFLSA-N 0 0 441.552 3.152 50 0 IGAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000008601920 562955723 /nfs/dbraw/zinc/95/57/23/562955723.db2.gz LOQOQAWLLIGHNF-GOSISDBHSA-N 0 0 425.528 3.381 50 0 IGAARN COCCc1nn2c(nc(COC(=O)C(c3ccccc3)c3ccccc3)cc2=O)s1 ZINC000008605414 562956742 /nfs/dbraw/zinc/95/67/42/562956742.db2.gz RTHNWBQEDBJPOA-UHFFFAOYSA-N 0 0 435.505 3.215 50 0 IGAARN COc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)cc1 ZINC000008605493 562956748 /nfs/dbraw/zinc/95/67/48/562956748.db2.gz NPBZFGIXWLCAKU-UHFFFAOYSA-N 0 0 434.544 3.137 50 0 IGAARN COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 ZINC000008609363 562957782 /nfs/dbraw/zinc/95/77/82/562957782.db2.gz VBEMCEJJSMDRNT-UHFFFAOYSA-N 0 0 435.509 3.072 50 0 IGAARN COC(=O)c1cc2c(cc1NC(=O)c1cnn(-c3ccccc3)c1-n1cccc1)OCO2 ZINC000008610565 562958277 /nfs/dbraw/zinc/95/82/77/562958277.db2.gz WWFAMWWWDHCULW-UHFFFAOYSA-N 0 0 430.420 3.431 50 0 IGAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000008612337 562959160 /nfs/dbraw/zinc/95/91/60/562959160.db2.gz DYGSJKOALGBGHG-GOSISDBHSA-N 0 0 443.496 3.378 50 0 IGAARN CCCc1ccc(S(=O)(=O)N2CCC(c3nnnn3-c3ccc(OC)cc3)CC2)cc1 ZINC000008612956 562959315 /nfs/dbraw/zinc/95/93/15/562959315.db2.gz YXIUNTIVIOYLED-UHFFFAOYSA-N 0 0 441.557 3.192 50 0 IGAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](/C=C/c3ccccc3OC)N2C1=O ZINC000008666774 562960554 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CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4F)nnc3c2=O)cc1 ZINC000064593941 568936235 /nfs/dbraw/zinc/93/62/35/568936235.db2.gz KTKRWWWGGFNBEL-UHFFFAOYSA-N 0 0 439.472 3.149 50 0 IGAARN Cc1oc(-c2ccccc2)nc1Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 ZINC000064605407 568939609 /nfs/dbraw/zinc/93/96/09/568939609.db2.gz DDXWRNMLBHAYCR-UHFFFAOYSA-N 0 0 429.476 3.486 50 0 IGAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2N1 ZINC000064661222 568942511 /nfs/dbraw/zinc/94/25/11/568942511.db2.gz NSAAFJVTMSABMW-UHFFFAOYSA-N 0 0 444.285 3.293 50 0 IGAARN COCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704239 568944676 /nfs/dbraw/zinc/94/46/76/568944676.db2.gz NLFVIGQXBGAACQ-UHFFFAOYSA-N 0 0 434.541 3.006 50 0 IGAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@@H](C)C(C)C)c1 ZINC000036065555 568945253 /nfs/dbraw/zinc/94/52/53/568945253.db2.gz MIEDWEWXKVGBDR-NRFANRHFSA-N 0 0 442.604 3.400 50 0 IGAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1ccc(Cl)cc1 ZINC000036069044 568945398 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568953409 /nfs/dbraw/zinc/95/34/09/568953409.db2.gz ADEPASIPBPMYMI-UHFFFAOYSA-N 0 0 429.586 3.410 50 0 IGAARN Cc1cccc(N2CCN(C(=O)[C@@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)C[C@@H]2C)c1 ZINC000064775958 568954927 /nfs/dbraw/zinc/95/49/27/568954927.db2.gz QZTXVPAPXONRJW-RBUKOAKNSA-N 0 0 443.551 3.495 50 0 IGAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)=O ZINC000036117375 568955764 /nfs/dbraw/zinc/95/57/64/568955764.db2.gz WKAILBDJTXQSII-NRFANRHFSA-N 0 0 446.569 3.147 50 0 IGAARN COc1ccc(CCNC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 ZINC000064787915 568956268 /nfs/dbraw/zinc/95/62/68/568956268.db2.gz ZIPPSDZAIDEZTQ-UHFFFAOYSA-N 0 0 435.505 3.413 50 0 IGAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2cccnc2)cc1 ZINC000064792811 568959402 /nfs/dbraw/zinc/95/94/02/568959402.db2.gz XGMXSXZYAXQNJX-HSZRJFAPSA-N 0 0 437.507 3.143 50 0 IGAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 ZINC000036146133 568962094 /nfs/dbraw/zinc/96/20/94/568962094.db2.gz DATDTVWMSDEFRP-FQEVSTJZSA-N 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3.362 50 0 IGAARN CCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680025 568990420 /nfs/dbraw/zinc/99/04/20/568990420.db2.gz NSYNKNBYCMTUSQ-MHECFPHRSA-N 0 0 425.598 3.473 50 0 IGAARN Cc1sc2ncn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc3c2c1C ZINC000064945617 568992927 /nfs/dbraw/zinc/99/29/27/568992927.db2.gz FFDTVRQSTGJSNI-UHFFFAOYSA-N 0 0 446.330 3.432 50 0 IGAARN Cc1ccc(F)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O ZINC000064943852 568993062 /nfs/dbraw/zinc/99/30/62/568993062.db2.gz WHTVKRPKLMJGFS-UHFFFAOYSA-N 0 0 443.500 3.286 50 0 IGAARN COc1ccc(Cn2c3nn(Cc4cccc(C)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946288 568994143 /nfs/dbraw/zinc/99/41/43/568994143.db2.gz LCQKZOGJZNCFHI-UHFFFAOYSA-N 0 0 432.505 3.286 50 0 IGAARN COc1ccccc1Cn1c2nn(CCOc3ccccc3)c(=O)n2c2ccsc2c1=O ZINC000064946432 568994340 /nfs/dbraw/zinc/99/43/40/568994340.db2.gz XKLZBIGMZZKHDE-UHFFFAOYSA-N 0 0 448.504 3.008 50 0 IGAARN O=C(CSc1nc2ccccc2n2cnnc12)NCc1ccccc1Br ZINC000064948936 568994817 /nfs/dbraw/zinc/99/48/17/568994817.db2.gz KGTCDFLGSBNOJV-UHFFFAOYSA-N 0 0 428.315 3.449 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(C)c1 ZINC000064950820 568996105 /nfs/dbraw/zinc/99/61/05/568996105.db2.gz DMJYOFHETFVTHP-UHFFFAOYSA-N 0 0 427.570 3.394 50 0 IGAARN COC(=O)c1ccccc1NC(=O)Cn1c2ncccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000064951085 568996162 /nfs/dbraw/zinc/99/61/62/568996162.db2.gz RLTHRFAAIWYJHI-UHFFFAOYSA-N 0 0 430.464 3.229 50 0 IGAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1 ZINC000006806150 568996331 /nfs/dbraw/zinc/99/63/31/568996331.db2.gz PVEVNUHQLKTDQV-SFHVURJKSA-N 0 0 425.558 3.487 50 0 IGAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000064952112 568997276 /nfs/dbraw/zinc/99/72/76/568997276.db2.gz WOCNOAOFMWPQFK-UHFFFAOYSA-N 0 0 449.573 3.185 50 0 IGAARN CCC(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312521 568997728 /nfs/dbraw/zinc/99/77/28/568997728.db2.gz FAJOVXOJUYYYNU-UHFFFAOYSA-N 0 0 426.561 3.403 50 0 IGAARN COc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC(C)C)ccc32)cc1Cl ZINC000064956988 568999328 /nfs/dbraw/zinc/99/93/28/568999328.db2.gz ORQLHQDKJCLANM-UHFFFAOYSA-N 0 0 430.896 3.053 50 0 IGAARN COc1ccc(CNC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccc(OC)cc2)CC3=O)cc1 ZINC000064959166 568999821 /nfs/dbraw/zinc/99/98/21/568999821.db2.gz UORPBEBEPWYCHQ-KRWDZBQOSA-N 0 0 432.476 3.235 50 0 IGAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1Cl ZINC000064964064 569000802 /nfs/dbraw/zinc/00/08/02/569000802.db2.gz BGMJILGFGMANML-ZDUSSCGKSA-N 0 0 425.938 3.360 50 0 IGAARN CCOc1ccccc1-c1nc2c(c(C(N)=O)n1)n(CC)c(=O)n2-c1ccc(C)c(C)c1 ZINC000064966086 569001279 /nfs/dbraw/zinc/00/12/79/569001279.db2.gz UTNIPSHKPHMAHQ-UHFFFAOYSA-N 0 0 431.496 3.384 50 0 IGAARN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCc1ccc(Cl)cc1)c2=O ZINC000064970649 569076310 /nfs/dbraw/zinc/07/63/10/569076310.db2.gz PUNNPGINLOFGBU-UHFFFAOYSA-N 0 0 435.915 3.211 50 0 IGAARN COc1ccccc1CNC(=O)[C@H](C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971213 569076541 /nfs/dbraw/zinc/07/65/41/569076541.db2.gz VEXZIBJVYQDTOR-KRWDZBQOSA-N 0 0 431.496 3.085 50 0 IGAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1cccc(Br)c1 ZINC000064977591 569077457 /nfs/dbraw/zinc/07/74/57/569077457.db2.gz ANDRYCYNTVTYDK-UHFFFAOYSA-N 0 0 440.305 3.261 50 0 IGAARN CCOc1ccc(CCNC(=O)c2nnc(Cc3ccccc3OC)o2)cc1OCC ZINC000006821106 569077859 /nfs/dbraw/zinc/07/78/59/569077859.db2.gz UIHVLJMMEHDHIB-UHFFFAOYSA-N 0 0 425.485 3.439 50 0 IGAARN CC(=O)N1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2F)CC1 ZINC000036341477 569079298 /nfs/dbraw/zinc/07/92/98/569079298.db2.gz IXEFAFLRIZFJDK-DEOSSOPVSA-N 0 0 436.531 3.284 50 0 IGAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3cc(C)ccc32)cc1 ZINC000064986334 569082384 /nfs/dbraw/zinc/08/23/84/569082384.db2.gz MUTWOIKBWQEEJH-NRFANRHFSA-N 0 0 430.526 3.019 50 0 IGAARN COC(=O)c1ccc(NC(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064991283 569083573 /nfs/dbraw/zinc/08/35/73/569083573.db2.gz WMTSDSMANWYVNE-UHFFFAOYSA-N 0 0 429.433 3.038 50 0 IGAARN CCc1ccccc1NC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064991501 569084619 /nfs/dbraw/zinc/08/46/19/569084619.db2.gz XMIHXDMQYJDOGG-UHFFFAOYSA-N 0 0 425.470 3.403 50 0 IGAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4cccnc4)CC3)c2c1 ZINC000036357757 569084895 /nfs/dbraw/zinc/08/48/95/569084895.db2.gz QGDPERWLPUBJRQ-QFIPXVFZSA-N 0 0 435.528 3.101 50 0 IGAARN COCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)s1 ZINC000036358247 569085051 /nfs/dbraw/zinc/08/50/51/569085051.db2.gz RKMMLEFEXNWXFB-MOPGFXCFSA-N 0 0 438.509 3.242 50 0 IGAARN Cc1sc2nc(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)[nH]c(=O)c2c1C ZINC000036359036 569085495 /nfs/dbraw/zinc/08/54/95/569085495.db2.gz AEPDVWBSNWUYED-UHFFFAOYSA-N 0 0 440.554 3.113 50 0 IGAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(CCc2ccncc2)CC1 ZINC000036360033 569086570 /nfs/dbraw/zinc/08/65/70/569086570.db2.gz FHZYXPDLYVBKJJ-QHCPKHFHSA-N 0 0 449.555 3.143 50 0 IGAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCC3)c2oc1C(=O)N1CCOCC1 ZINC000065010767 569088322 /nfs/dbraw/zinc/08/83/22/569088322.db2.gz YWQLBTZPOZWXFA-UHFFFAOYSA-N 0 0 434.558 3.441 50 0 IGAARN CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NCC(C)C)c1)NC(=O)CCC2=O ZINC000065011144 569088433 /nfs/dbraw/zinc/08/84/33/569088433.db2.gz LRQOKIUJSYDJJZ-UHFFFAOYSA-N 0 0 432.546 3.118 50 0 IGAARN Cc1ccc(C)c(N2CCN(c3ccc(SCC(=O)NCc4ccco4)nn3)CC2)c1 ZINC000065026041 569090807 /nfs/dbraw/zinc/09/08/07/569090807.db2.gz KGIFCWLCCOHSQF-UHFFFAOYSA-N 0 0 437.569 3.422 50 0 IGAARN COC(=O)c1cc(OCC(=O)Nc2cc(F)ccc2F)c2cc(OC)c(OC)cc2n1 ZINC000065033494 569091955 /nfs/dbraw/zinc/09/19/55/569091955.db2.gz UTXPUDCROVLRSB-UHFFFAOYSA-N 0 0 432.379 3.334 50 0 IGAARN O=c1c2cccc(Cl)c2ncn1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000065034706 569092248 /nfs/dbraw/zinc/09/22/48/569092248.db2.gz RNUSOQDYJTYXBE-UHFFFAOYSA-N 0 0 439.871 3.354 50 0 IGAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CCc2ccccn2)CC1 ZINC000036383193 569092440 /nfs/dbraw/zinc/09/24/40/569092440.db2.gz CMVTZSDQKVEOEC-UHFFFAOYSA-N 0 0 433.883 3.303 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000036386058 569092915 /nfs/dbraw/zinc/09/29/15/569092915.db2.gz MBWZCPJVIKXWTF-QHCPKHFHSA-N 0 0 441.597 3.055 50 0 IGAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1)N(C(=O)NC(C)C)CC2 ZINC000006868872 569092930 /nfs/dbraw/zinc/09/29/30/569092930.db2.gz RMCYLKCVIKREAC-FQEVSTJZSA-N 0 0 425.529 3.459 50 0 IGAARN O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000169752514 569093221 /nfs/dbraw/zinc/09/32/21/569093221.db2.gz ICLLXWGLEQHAMI-UHFFFAOYSA-N 0 0 426.835 3.087 50 0 IGAARN COc1cccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c1 ZINC000169754947 569093981 /nfs/dbraw/zinc/09/39/81/569093981.db2.gz QMFKRTBTNQQYTK-UHFFFAOYSA-N 0 0 430.302 3.372 50 0 IGAARN Cc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)c1C ZINC000169757898 569094120 /nfs/dbraw/zinc/09/41/20/569094120.db2.gz SIMNRZLQSOYFSB-FQEVSTJZSA-N 0 0 425.872 3.473 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccccc2Cl)NC1=O ZINC000169758030 569094284 /nfs/dbraw/zinc/09/42/84/569094284.db2.gz QBLVNBRIFZLVCO-FQEVSTJZSA-N 0 0 425.872 3.473 50 0 IGAARN CCc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(Cl)cc4)nc3n(C)c2=O)cc1 ZINC000065057079 569095063 /nfs/dbraw/zinc/09/50/63/569095063.db2.gz LBZCMCAVQLWLED-UHFFFAOYSA-N 0 0 449.898 3.012 50 0 IGAARN CCn1c(=O)n(Cc2ccc(F)cc2Cl)c(=O)c2cnc(-c3ccc(OC)cc3)nc21 ZINC000065057540 569095254 /nfs/dbraw/zinc/09/52/54/569095254.db2.gz AZWHMSDCDVODCT-UHFFFAOYSA-N 0 0 440.862 3.490 50 0 IGAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(C)cc3C)C2)cc1 ZINC000065059248 569096000 /nfs/dbraw/zinc/09/60/00/569096000.db2.gz HDUOYVHWLAYECX-HSZRJFAPSA-N 0 0 430.570 3.419 50 0 IGAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)c1 ZINC000065059450 569096111 /nfs/dbraw/zinc/09/61/11/569096111.db2.gz RKZMXDUHQHSGCH-HSZRJFAPSA-N 0 0 444.553 3.005 50 0 IGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000065059578 569096165 /nfs/dbraw/zinc/09/61/65/569096165.db2.gz 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0 IGAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(Br)c3)CC2)c(C)s1 ZINC000058439949 569454787 /nfs/dbraw/zinc/45/47/87/569454787.db2.gz PXWTXDYDHRDPED-UHFFFAOYSA-N 0 0 443.388 3.274 50 0 IGAARN Cc1c([C@H](C)NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cnn1C ZINC000031542193 569456732 /nfs/dbraw/zinc/45/67/32/569456732.db2.gz RUBFFGFDNQPWLC-NSHDSACASA-N 0 0 431.587 3.016 50 0 IGAARN O=S(=O)(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000031722404 569457115 /nfs/dbraw/zinc/45/71/15/569457115.db2.gz QYBTXKIUKDXLLH-UHFFFAOYSA-N 0 0 425.388 3.463 50 0 IGAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1ccc(Cl)cc1 ZINC000031751745 569457216 /nfs/dbraw/zinc/45/72/16/569457216.db2.gz SAPUTBPKRAVHNZ-ZDUSSCGKSA-N 0 0 426.947 3.119 50 0 IGAARN COc1c(C)cnc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1C ZINC000031807044 569457462 /nfs/dbraw/zinc/45/74/62/569457462.db2.gz FIZIXPYBAJUMRT-NRFANRHFSA-N 0 0 426.492 3.271 50 0 IGAARN CCOC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1OCCO ZINC000031810616 569457656 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569469704 /nfs/dbraw/zinc/46/97/04/569469704.db2.gz IQKQMKHXNUGLNG-UHFFFAOYSA-N 0 0 427.404 3.237 50 0 IGAARN CCc1ccc(OCc2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2CC(C)C)cc1 ZINC000008658160 569469742 /nfs/dbraw/zinc/46/97/42/569469742.db2.gz MDRAEMQLPNOSTN-SFHVURJKSA-N 0 0 433.578 3.387 50 0 IGAARN O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000008661529 569469831 /nfs/dbraw/zinc/46/98/31/569469831.db2.gz JGINPHYFAZFIAM-UHFFFAOYSA-N 0 0 435.409 3.360 50 0 IGAARN CCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000008662684 569469988 /nfs/dbraw/zinc/46/99/88/569469988.db2.gz QLAZFZPOGCEYPV-UHFFFAOYSA-N 0 0 425.348 3.085 50 0 IGAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000008710157 569470890 /nfs/dbraw/zinc/47/08/90/569470890.db2.gz INMVSKVLSDWBKU-UHFFFAOYSA-N 0 0 437.374 3.402 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C ZINC000008716371 569471072 /nfs/dbraw/zinc/47/10/72/569471072.db2.gz PWXKNCLXKHNMGS-NEPJUHHUSA-N 0 0 430.482 3.279 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000008718207 569471285 /nfs/dbraw/zinc/47/12/85/569471285.db2.gz NWHQFBSJVQKRKZ-UHFFFAOYSA-N 0 0 439.537 3.023 50 0 IGAARN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008719324 569471402 /nfs/dbraw/zinc/47/14/02/569471402.db2.gz IZNVXSXARBLAIH-UHFFFAOYSA-N 0 0 428.304 3.050 50 0 IGAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)cc1Br ZINC000008720270 569471597 /nfs/dbraw/zinc/47/15/97/569471597.db2.gz KQFJFYTTYDRPBQ-UHFFFAOYSA-N 0 0 425.304 3.104 50 0 IGAARN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000008724454 569472043 /nfs/dbraw/zinc/47/20/43/569472043.db2.gz BSHOOKCLCLKUAG-LFPRZYRFSA-N 0 0 438.615 3.104 50 0 IGAARN CCCCn1c2nc(CSc3nccn3-c3cccc(C)c3C)n(C)c2c(=O)[nH]c1=O ZINC000008725191 569472061 /nfs/dbraw/zinc/47/20/61/569472061.db2.gz MQONRIDBLDVAOB-UHFFFAOYSA-N 0 0 438.557 3.318 50 0 IGAARN COc1cccc(COC[C@H](O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1 ZINC000008747900 569473180 /nfs/dbraw/zinc/47/31/80/569473180.db2.gz MXPYGOFRNZYEHS-CLOONOSVSA-N 0 0 434.492 3.193 50 0 IGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc2nc(C)cc(C)n21 ZINC000008751237 569473428 /nfs/dbraw/zinc/47/34/28/569473428.db2.gz VSJKLEXFMDXTJM-UHFFFAOYSA-N 0 0 443.558 3.384 50 0 IGAARN CCN(C(=O)[C@@H](C)OC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccccc1 ZINC000008752841 569473627 /nfs/dbraw/zinc/47/36/27/569473627.db2.gz SVXKGGPZXWYVKW-CQSZACIVSA-N 0 0 425.510 3.311 50 0 IGAARN CN1C(=O)C(=C(NCc2ccccc2Cl)Nc2ccccc2Cl)C(=O)N(C)C1=O ZINC000008757640 569474152 /nfs/dbraw/zinc/47/41/52/569474152.db2.gz XNCALWQROVVRIP-UHFFFAOYSA-N 0 0 433.295 3.457 50 0 IGAARN COC(=O)[C@@H](CC(C)C)NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000008764786 569474650 /nfs/dbraw/zinc/47/46/50/569474650.db2.gz JCXGKXMBIHHJNK-QGZVFWFLSA-N 0 0 439.464 3.248 50 0 IGAARN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008765326 569474746 /nfs/dbraw/zinc/47/47/46/569474746.db2.gz KTIZDNDPLNNSDE-HXUWFJFHSA-N 0 0 432.542 3.181 50 0 IGAARN O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008767865 569474964 /nfs/dbraw/zinc/47/49/64/569474964.db2.gz GEYLBHJQDKRJLI-GOSISDBHSA-N 0 0 441.528 3.156 50 0 IGAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000008776765 569475409 /nfs/dbraw/zinc/47/54/09/569475409.db2.gz RVCNYFLNKUFAEB-URXFXBBRSA-N 0 0 432.549 3.138 50 0 IGAARN COc1cccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789635 569475920 /nfs/dbraw/zinc/47/59/20/569475920.db2.gz HMWQBUPTQYVTNM-DWXRJYCRSA-N 0 0 445.519 3.379 50 0 IGAARN COc1cccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789634 569475949 /nfs/dbraw/zinc/47/59/49/569475949.db2.gz HMWQBUPTQYVTNM-QYBDOPJKSA-N 0 0 445.519 3.379 50 0 IGAARN O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)NC[C@H]1CCCO1 ZINC000008822891 569477142 /nfs/dbraw/zinc/47/71/42/569477142.db2.gz JKKGGQCEIBWAIK-SNVBAGLBSA-N 0 0 446.476 3.197 50 0 IGAARN COc1cc(C(=O)OCC(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008824847 569477206 /nfs/dbraw/zinc/47/72/06/569477206.db2.gz USBSRPSRFMJAID-UHFFFAOYSA-N 0 0 444.459 3.021 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000008824711 569477219 /nfs/dbraw/zinc/47/72/19/569477219.db2.gz QSCWRAVZMPSKSG-UHFFFAOYSA-N 0 0 425.539 3.358 50 0 IGAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)CCCc1c[nH]c3ccccc13)CCC2 ZINC000008825947 569477519 /nfs/dbraw/zinc/47/75/19/569477519.db2.gz WGRSBOXHROVFPZ-UHFFFAOYSA-N 0 0 425.510 3.322 50 0 IGAARN O=C(c1ccccc1Br)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008867447 569480242 /nfs/dbraw/zinc/48/02/42/569480242.db2.gz IHMUWRYQJOJQRP-HNNXBMFYSA-N 0 0 426.307 3.418 50 0 IGAARN O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000008867302 569480257 /nfs/dbraw/zinc/48/02/57/569480257.db2.gz GKUYXGHCYCEBKG-HSZRJFAPSA-N 0 0 429.428 3.443 50 0 IGAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)CC1 ZINC000008879719 569481386 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ZINC000040050647 569484213 /nfs/dbraw/zinc/48/42/13/569484213.db2.gz MUKJLNRAGSOEAA-GFCCVEGCSA-N 0 0 425.268 3.160 50 0 IGAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N3CCCc4cccc(F)c43)C2=O)cc1 ZINC000040051302 569484392 /nfs/dbraw/zinc/48/43/92/569484392.db2.gz GCLDSBRMTQRCLY-DEOSSOPVSA-N 0 0 439.487 3.057 50 0 IGAARN O=C(CSCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000040052652 569484536 /nfs/dbraw/zinc/48/45/36/569484536.db2.gz IZIFSJFCPMURDI-UHFFFAOYSA-N 0 0 449.935 3.135 50 0 IGAARN Cc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915158 569485540 /nfs/dbraw/zinc/48/55/40/569485540.db2.gz GZCAKLWTCYXMCB-GOSISDBHSA-N 0 0 425.506 3.239 50 0 IGAARN CC(C)Sc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008916752 569485887 /nfs/dbraw/zinc/48/58/87/569485887.db2.gz PMEZHLJISOKRMH-OAHLLOKOSA-N 0 0 439.990 3.460 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(C)cc3c1=O)C(=O)N2C[C@H]1CCCO1 ZINC000008917031 569485926 /nfs/dbraw/zinc/48/59/26/569485926.db2.gz 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C[C@H](Oc1cccc2c1CCC[C@@H]2O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008943293 569488825 /nfs/dbraw/zinc/48/88/25/569488825.db2.gz XNFPOBVWOIRTPD-KKSFZXQISA-N 0 0 444.553 3.247 50 0 IGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)CC2)cc1F ZINC000040113906 569489008 /nfs/dbraw/zinc/48/90/08/569489008.db2.gz LQYODRWPIRTYJR-AOMKIAJQSA-N 0 0 426.488 3.217 50 0 IGAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000008948505 569489165 /nfs/dbraw/zinc/48/91/65/569489165.db2.gz CDHKCFLNRSALEN-LVXARBLLSA-N 0 0 449.551 3.068 50 0 IGAARN CCOc1ccc2nc(SCC(=O)Nc3cc(S(N)(=O)=O)ccc3C)sc2c1 ZINC000008955422 569490126 /nfs/dbraw/zinc/49/01/26/569490126.db2.gz KNBOKCCUTKVKFP-UHFFFAOYSA-N 0 0 437.568 3.382 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)c3sc(C)nc3c2=O)cc1 ZINC000008955365 569490127 /nfs/dbraw/zinc/49/01/27/569490127.db2.gz HAFPFEBOKSSKKP-UHFFFAOYSA-N 0 0 436.493 3.484 50 0 IGAARN COc1cccc(-c2nn(CC(=O)Nc3ccccc3OC)c(=O)c3nc(C)sc32)c1 ZINC000008955881 569490161 /nfs/dbraw/zinc/49/01/61/569490161.db2.gz IXQHZWDTEVLWBL-UHFFFAOYSA-N 0 0 436.493 3.484 50 0 IGAARN COc1ccc(-c2nn(CC(=O)Nc3ccccc3)c(=O)c3nc(C)sc32)cc1OC ZINC000008955604 569490191 /nfs/dbraw/zinc/49/01/91/569490191.db2.gz XNYDVYWWDXBCHS-UHFFFAOYSA-N 0 0 436.493 3.484 50 0 IGAARN Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1 ZINC000040133347 569490475 /nfs/dbraw/zinc/49/04/75/569490475.db2.gz VQTFOOCAVHRQST-UHFFFAOYSA-N 0 0 427.766 3.349 50 0 IGAARN O=C(CCCn1ncn2c3ccoc3cc2c1=O)NCc1cccc(Br)c1 ZINC000008965141 569491329 /nfs/dbraw/zinc/49/13/29/569491329.db2.gz VBLKLFPFGQQIKP-UHFFFAOYSA-N 0 0 429.274 3.101 50 0 IGAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000008966195 569491693 /nfs/dbraw/zinc/49/16/93/569491693.db2.gz HPNOPTCRILIBTF-RUZDIDTESA-N 0 0 428.444 3.288 50 0 IGAARN CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1nc2ccccc2[nH]1 ZINC000040146150 569492213 /nfs/dbraw/zinc/49/22/13/569492213.db2.gz VDXXTCDXBUATCC-DNVCBOLYSA-N 0 0 425.533 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COc1ccc(CN(C)S(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1F ZINC000008987704 569494878 /nfs/dbraw/zinc/49/48/78/569494878.db2.gz WWCXLGPBJKEHQE-UHFFFAOYSA-N 0 0 448.310 3.435 50 0 IGAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1Br ZINC000040160969 569495108 /nfs/dbraw/zinc/49/51/08/569495108.db2.gz VWANFJRHEPRNCU-VXGBXAGGSA-N 0 0 429.311 3.132 50 0 IGAARN COc1ccc2c(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3Cc3cccnc3)c[nH]c2c1 ZINC000008993021 569495449 /nfs/dbraw/zinc/49/54/49/569495449.db2.gz ZQCLCCMTWHTKGP-VWNXMTODSA-N 0 0 449.532 3.421 50 0 IGAARN CCCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000008997714 569495951 /nfs/dbraw/zinc/49/59/51/569495951.db2.gz JUCSYHYXSJSDAK-CYBMUJFWSA-N 0 0 440.525 3.183 50 0 IGAARN Cn1c2nc3n(cc(-c4cccs4)n3-c3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000009014607 569496678 /nfs/dbraw/zinc/49/66/78/569496678.db2.gz JWBFZGXQXXERIN-UHFFFAOYSA-N 0 0 445.426 3.423 50 0 IGAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O)c1ccc2ccccc2c1 ZINC000009016683 569496846 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/nfs/dbraw/zinc/02/23/98/524022398.db2.gz SWPRYKJACQDENA-MRXNPFEDSA-N 0 0 442.585 3.196 50 0 IGAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1C ZINC000036004126 524023064 /nfs/dbraw/zinc/02/30/64/524023064.db2.gz SQWSPVPTWVIXBU-QFBILLFUSA-N 0 0 442.512 3.319 50 0 IGAARN COc1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c(OC)c1OC ZINC000012799969 524031098 /nfs/dbraw/zinc/03/10/98/524031098.db2.gz PSRIJZVYKDCRFQ-UHFFFAOYSA-N 0 0 439.434 3.084 50 0 IGAARN CCc1ccc([C@H](C)NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2N)cc1 ZINC000032950263 524043587 /nfs/dbraw/zinc/04/35/87/524043587.db2.gz DGJASFUBXVPUIJ-LIRRHRJNSA-N 0 0 439.541 3.036 50 0 IGAARN COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(OC)c1 ZINC000040930043 524046285 /nfs/dbraw/zinc/04/62/85/524046285.db2.gz FBTZBFCUTXBRKM-UHFFFAOYSA-N 0 0 436.512 3.282 50 0 IGAARN CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000020582184 524061890 /nfs/dbraw/zinc/06/18/90/524061890.db2.gz VPEZMLHYCNYHEO-UHFFFAOYSA-N 0 0 432.480 3.406 50 0 IGAARN COc1ccc(CNC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1OC ZINC000012195534 524065715 /nfs/dbraw/zinc/06/57/15/524065715.db2.gz YDAGNVXNABVSNR-UHFFFAOYSA-N 0 0 438.933 3.217 50 0 IGAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 ZINC000012755892 524078190 /nfs/dbraw/zinc/07/81/90/524078190.db2.gz FFVNVLSIXMFDSN-LBPRGKRZSA-N 0 0 430.917 3.284 50 0 IGAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)c1 ZINC000012419330 524120621 /nfs/dbraw/zinc/12/06/21/524120621.db2.gz ONJZINZBZPBILO-UHFFFAOYSA-N 0 0 425.510 3.185 50 0 IGAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1OC ZINC000020725726 524130636 /nfs/dbraw/zinc/13/06/36/524130636.db2.gz WZMISZFOJBDUOB-KRWDZBQOSA-N 0 0 437.485 3.288 50 0 IGAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O ZINC000012678846 524152417 /nfs/dbraw/zinc/15/24/17/524152417.db2.gz RBEQWSNQINJYAJ-BUKPSGGLSA-N 0 0 441.528 3.012 50 0 IGAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O ZINC000012678856 524179307 /nfs/dbraw/zinc/17/93/07/524179307.db2.gz RBEQWSNQINJYAJ-OSWMTFESSA-N 0 0 441.528 3.012 50 0 IGAARN COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCOCC2)c1 ZINC000036045917 524181549 /nfs/dbraw/zinc/18/15/49/524181549.db2.gz PUKCEMJRGCVBHB-RTWAWAEBSA-N 0 0 428.916 3.063 50 0 IGAARN COc1cccc([C@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCc2ccccc2)c1OC ZINC000036055355 524181573 /nfs/dbraw/zinc/18/15/73/524181573.db2.gz OMGNTNUPDAVEQC-UXHICEINSA-N 0 0 441.597 3.319 50 0 IGAARN C[C@@H](C(=O)NCCCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012866684 524184130 /nfs/dbraw/zinc/18/41/30/524184130.db2.gz KFBQSOSJSGXHKX-QLXKLKPCSA-N 0 0 444.535 3.341 50 0 IGAARN COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000020717826 524194660 /nfs/dbraw/zinc/19/46/60/524194660.db2.gz HSSYLIXWQHOKIN-HNNXBMFYSA-N 0 0 440.931 3.297 50 0 IGAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 ZINC000035597277 524195395 /nfs/dbraw/zinc/19/53/95/524195395.db2.gz FHWIHBQGFMMKFZ-UHFFFAOYSA-N 0 0 440.935 3.212 50 0 IGAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCCc2nc3ccccc3[nH]2)CC1=O ZINC000021528318 524219210 /nfs/dbraw/zinc/21/92/10/524219210.db2.gz OHQMVLIMDLPVKU-CQSZACIVSA-N 0 0 426.904 3.327 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO ZINC000012231082 524231423 /nfs/dbraw/zinc/23/14/23/524231423.db2.gz ITZWDDDAFMMLNB-UHFFFAOYSA-N 0 0 446.862 3.359 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1c2nc(-c3ccccc3C)nn2c(=O)cc1C ZINC000021802776 524232383 /nfs/dbraw/zinc/23/23/83/524232383.db2.gz RJYXEOPACBRXGD-UHFFFAOYSA-N 0 0 437.887 3.476 50 0 IGAARN Cc1ccc(C2=NN(C(=O)COc3cccc(-n4cnnn4)c3)[C@H](c3ccco3)C2)cc1 ZINC000012644308 524233074 /nfs/dbraw/zinc/23/30/74/524233074.db2.gz FANTVGCKAGQSJC-NRFANRHFSA-N 0 0 428.452 3.320 50 0 IGAARN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000012538448 524233667 /nfs/dbraw/zinc/23/36/67/524233667.db2.gz XRTJPFOEHWXISS-JOCHJYFZSA-N 0 0 437.540 3.183 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012807087 524242477 /nfs/dbraw/zinc/24/24/77/524242477.db2.gz PQJXFWZOANXNHF-QGZVFWFLSA-N 0 0 435.977 3.377 50 0 IGAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022790394 524263462 /nfs/dbraw/zinc/26/34/62/524263462.db2.gz OGRLRKVVBQVUHK-INIZCTEOSA-N 0 0 438.553 3.212 50 0 IGAARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012689359 524264679 /nfs/dbraw/zinc/26/46/79/524264679.db2.gz YNGYDJMILVAQBA-NRFANRHFSA-N 0 0 444.579 3.443 50 0 IGAARN COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nn1 ZINC000035595008 524270341 /nfs/dbraw/zinc/27/03/41/524270341.db2.gz SNIZFNROEDRBQV-AQTBWJFISA-N 0 0 436.537 3.275 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000018127211 524275509 /nfs/dbraw/zinc/27/55/09/524275509.db2.gz BPQFQUUCHHYCHF-UHFFFAOYSA-N 0 0 444.373 3.391 50 0 IGAARN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002653017 524279732 /nfs/dbraw/zinc/27/97/32/524279732.db2.gz XDYKBRKWGZVMAZ-UHFFFAOYSA-N 0 0 442.493 3.170 50 0 IGAARN COc1ccccc1-c1nc(S(C)(=O)=O)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000035928320 524282991 /nfs/dbraw/zinc/28/29/91/524282991.db2.gz YVASYIXDIBKXRA-UHFFFAOYSA-N 0 0 429.889 3.130 50 0 IGAARN COc1ccccc1-n1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)cn1 ZINC000012093408 524303623 /nfs/dbraw/zinc/30/36/23/524303623.db2.gz HLJYVFYRYRLBPB-JOCHJYFZSA-N 0 0 446.551 3.369 50 0 IGAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc31)[nH]c2=O ZINC000021716225 524308795 /nfs/dbraw/zinc/30/87/95/524308795.db2.gz LKMRLCPMWHOZQU-UHFFFAOYSA-N 0 0 447.520 3.189 50 0 IGAARN Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)oc2c1 ZINC000015831212 524342125 /nfs/dbraw/zinc/34/21/25/524342125.db2.gz ZJFVEVXGCFADTA-SFHVURJKSA-N 0 0 425.506 3.239 50 0 IGAARN Cc1ccc(CN(C)C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)c1 ZINC000012636304 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3.121 50 0 IGAARN COc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000021360916 524502369 /nfs/dbraw/zinc/50/23/69/524502369.db2.gz ADENQVHQJXQZLF-UHFFFAOYSA-N 0 0 433.512 3.138 50 0 IGAARN Cc1ccc(CNC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000033265306 524509009 /nfs/dbraw/zinc/50/90/09/524509009.db2.gz NOHBQSOFXYQSFT-UHFFFAOYSA-N 0 0 447.564 3.204 50 0 IGAARN Cc1cccc(N(C)S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)c1 ZINC000015720907 524522143 /nfs/dbraw/zinc/52/21/43/524522143.db2.gz NRTKOQROERRTBY-UHFFFAOYSA-N 0 0 439.468 3.150 50 0 IGAARN COc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 ZINC000035396719 524527610 /nfs/dbraw/zinc/52/76/10/524527610.db2.gz NCJRDZUPDJMUKB-UHFFFAOYSA-N 0 0 440.521 3.254 50 0 IGAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2 ZINC000021807735 524530707 /nfs/dbraw/zinc/53/07/07/524530707.db2.gz VNCOQFALDYDUFH-SFHVURJKSA-N 0 0 441.535 3.184 50 0 IGAARN COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000012864137 524542722 /nfs/dbraw/zinc/54/27/22/524542722.db2.gz UMYFMHJDAZDTIB-UHFFFAOYSA-N 0 0 425.504 3.035 50 0 IGAARN COc1ccccc1N1CCN(C(=O)COC(=O)c2sccc2-n2cccc2)CC1 ZINC000012512935 524545791 /nfs/dbraw/zinc/54/57/91/524545791.db2.gz ZKTLIUXZZMDSGP-UHFFFAOYSA-N 0 0 425.510 3.053 50 0 IGAARN Cc1ccc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)s1 ZINC000012709950 524559858 /nfs/dbraw/zinc/55/98/58/524559858.db2.gz NOXUEMDMXOYZJR-UHFFFAOYSA-N 0 0 442.990 3.443 50 0 IGAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccnc3SC(F)F)CC2)c1C ZINC000012769199 524592607 /nfs/dbraw/zinc/59/26/07/524592607.db2.gz UIQLCWBUMXTMOX-UHFFFAOYSA-N 0 0 434.512 3.410 50 0 IGAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)NCCCc1ccccc1 ZINC000015726629 524597700 /nfs/dbraw/zinc/59/77/00/524597700.db2.gz MWNQOSWUQAXNNI-CVEARBPZSA-N 0 0 446.594 3.278 50 0 IGAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1S(=O)(=O)N(C)C ZINC000015097216 524623184 /nfs/dbraw/zinc/62/31/84/524623184.db2.gz JAFVJTKZJKGQKT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/90/80/43/525908043.db2.gz QXYTUTKZIPKIEY-UHFFFAOYSA-N 0 0 430.508 3.315 50 0 IGAARN COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc32)c1 ZINC000012745039 525908548 /nfs/dbraw/zinc/90/85/48/525908548.db2.gz SLVOAYANTSXUMY-XMMPIXPASA-N 0 0 431.536 3.198 50 0 IGAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000017042680 525932597 /nfs/dbraw/zinc/93/25/97/525932597.db2.gz GWQBUSSXIXLNKZ-LLVKDONJSA-N 0 0 439.465 3.196 50 0 IGAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCc1ccccc1C)nc2C ZINC000020563360 525936902 /nfs/dbraw/zinc/93/69/02/525936902.db2.gz GUEBXEJPVNMPMI-IBGZPJMESA-N 0 0 429.524 3.427 50 0 IGAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 ZINC000035596865 525957080 /nfs/dbraw/zinc/95/70/80/525957080.db2.gz VQYSGEMIRDAKHE-INIZCTEOSA-N 0 0 436.537 3.352 50 0 IGAARN COc1cccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c1 ZINC000021097431 526002676 /nfs/dbraw/zinc/00/26/76/526002676.db2.gz OHPRMXTZGOUOAP-UHFFFAOYSA-N 0 0 441.553 3.292 50 0 IGAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)NC[C@H]1CCCO1 ZINC000012557751 526012171 /nfs/dbraw/zinc/01/21/71/526012171.db2.gz HFKWRHXOSUOXMW-RHSMWYFYSA-N 0 0 435.981 3.297 50 0 IGAARN C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000022085208 526013282 /nfs/dbraw/zinc/01/32/82/526013282.db2.gz AKPOVEVSVMTAFU-KBXCAEBGSA-N 0 0 441.532 3.384 50 0 IGAARN COc1cccc(CNS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1 ZINC000015669385 526028410 /nfs/dbraw/zinc/02/84/10/526028410.db2.gz WJBGOOKQGXBOAB-UHFFFAOYSA-N 0 0 439.537 3.111 50 0 IGAARN CSc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262280 526037910 /nfs/dbraw/zinc/03/79/10/526037910.db2.gz GXDRIULRNGBAFT-AWEZNQCLSA-N 0 0 446.554 3.431 50 0 IGAARN Cc1cc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)c(C)n1C[C@H]1CCCO1 ZINC000012798674 526050743 /nfs/dbraw/zinc/05/07/43/526050743.db2.gz GOUKBHQFEQFQTH-OAHLLOKOSA-N 0 0 437.529 3.406 50 0 IGAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 ZINC000012992719 534901838 /nfs/dbraw/zinc/90/18/38/534901838.db2.gz SGTOOXXRFAZXCP-UHFFFAOYSA-N 0 0 426.538 3.269 50 0 IGAARN COc1cccc(C[C@@]2(CCC(=O)N(C)Cc3ccc4nsnc4c3)CCC(=O)N2)c1 ZINC000015069163 526074263 /nfs/dbraw/zinc/07/42/63/526074263.db2.gz AYONUKHIPIVRCJ-QHCPKHFHSA-N 0 0 438.553 3.330 50 0 IGAARN COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)c1O ZINC000012408310 526080963 /nfs/dbraw/zinc/08/09/63/526080963.db2.gz PRQRFCGRNDXYMN-GBXCKJPGSA-N 0 0 439.533 3.293 50 0 IGAARN C[C@@H](c1ccccc1)N(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012769983 526086302 /nfs/dbraw/zinc/08/63/02/526086302.db2.gz USXGECKFQJPULC-IBGZPJMESA-N 0 0 441.597 3.443 50 0 IGAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5cccc(C)c5)CC4)c3=O)c2c1 ZINC000035424248 526109983 /nfs/dbraw/zinc/10/99/83/526109983.db2.gz JHOCIADWYWSDAZ-UHFFFAOYSA-N 0 0 429.524 3.234 50 0 IGAARN Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)nn1-c1ccccc1Cl ZINC000012677941 526129112 /nfs/dbraw/zinc/12/91/12/526129112.db2.gz 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434.496 3.469 50 0 IGAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000045899367 557546253 /nfs/dbraw/zinc/54/62/53/557546253.db2.gz SLNGFKREKGAUID-UHFFFAOYSA-N 0 0 433.895 3.143 50 0 IGAARN CCCCNC(=O)CSc1nc2c3cccnc3sc2c(=O)n1C[C@@H]1CCCO1 ZINC000045922769 557547819 /nfs/dbraw/zinc/54/78/19/557547819.db2.gz VWNHLJSRQLNKEC-ZDUSSCGKSA-N 0 0 432.571 3.194 50 0 IGAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000045938958 557548204 /nfs/dbraw/zinc/54/82/04/557548204.db2.gz LHKDUJINZUOMIJ-UHFFFAOYSA-N 0 0 435.387 3.427 50 0 IGAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21)Nc1ccc(Br)cc1 ZINC000045938945 557548224 /nfs/dbraw/zinc/54/82/24/557548224.db2.gz HWLGFLXEQISCSI-UHFFFAOYSA-N 0 0 446.286 3.171 50 0 IGAARN CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 ZINC000045961517 557555270 /nfs/dbraw/zinc/55/52/70/557555270.db2.gz CECLKZXRUXXHGP-UHFFFAOYSA-N 0 0 436.493 3.155 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000039476708 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COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 ZINC000000866636 557839928 /nfs/dbraw/zinc/83/99/28/557839928.db2.gz LPHAEBYJFJRVLR-LMGFAJPXSA-N 0 0 429.472 3.445 50 0 IGAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000002922648 557841401 /nfs/dbraw/zinc/84/14/01/557841401.db2.gz DZXJXASVUCVWKV-UHFFFAOYSA-N 0 0 428.489 3.089 50 0 IGAARN CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1F ZINC000238899388 557841650 /nfs/dbraw/zinc/84/16/50/557841650.db2.gz GDCPOSNVMOWPQH-GOSISDBHSA-N 0 0 429.423 3.424 50 0 IGAARN COc1ccc(-c2noc([C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C(C)C)n2)cc1 ZINC000238901391 557842066 /nfs/dbraw/zinc/84/20/66/557842066.db2.gz LXDOWTBSNUJIGT-LJQANCHMSA-N 0 0 445.497 3.192 50 0 IGAARN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)Cc1ccc(Br)cc1 ZINC000240465916 557845511 /nfs/dbraw/zinc/84/55/11/557845511.db2.gz GBIYRECDHAAIAU-UHFFFAOYSA-N 0 0 429.274 3.057 50 0 IGAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccc(C)cc2)c1 ZINC000034693486 557849000 /nfs/dbraw/zinc/84/90/00/557849000.db2.gz GDZLNNCJUQGGEH-UHFFFAOYSA-N 0 0 446.507 3.205 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000245227577 557849701 /nfs/dbraw/zinc/84/97/01/557849701.db2.gz JTVCOJURBGSKMC-JOCHJYFZSA-N 0 0 442.562 3.389 50 0 IGAARN CC[C@H]1CCc2sc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)cc2C1 ZINC000025055265 557857491 /nfs/dbraw/zinc/85/74/91/557857491.db2.gz JMQIDOUQRREKSJ-SFHVURJKSA-N 0 0 425.598 3.337 50 0 IGAARN COc1cccc(-c2nc(CSc3nc4c(nc(C)[nH]c4=O)n3C)c(C)o2)c1OC ZINC000019625892 560094107 /nfs/dbraw/zinc/09/41/07/560094107.db2.gz XQSRBHJKYQWLRM-UHFFFAOYSA-N 0 0 427.486 3.238 50 0 biogenic,in-vitro IGAARN Cn1c2nc3n(cc(C45CC6CC(CC(C6)C4)C5)n3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008779804 560210861 /nfs/dbraw/zinc/21/08/61/560210861.db2.gz SBHHPPCAAYCRQS-UHFFFAOYSA-N 0 0 443.551 3.203 50 0 biogenic,in-vitro IGAARN COc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000000982385 562919880 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3.017 50 0 IGAARN COc1ccccc1CNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938666 562930913 /nfs/dbraw/zinc/93/09/13/562930913.db2.gz VCLUAHWCSHSXTB-IBGZPJMESA-N 0 0 428.510 3.323 50 0 IGAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C2CC2)cc1 ZINC000002976676 562931453 /nfs/dbraw/zinc/93/14/53/562931453.db2.gz OAQQNQSZRXPQQV-HXUWFJFHSA-N 0 0 425.481 3.405 50 0 IGAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000003255997 562933400 /nfs/dbraw/zinc/93/34/00/562933400.db2.gz ZETBVENNQUPOPH-UHFFFAOYSA-N 0 0 444.509 3.199 50 0 IGAARN O=C(c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N1CCN(c2ccccc2)CC1 ZINC000003293781 562933826 /nfs/dbraw/zinc/93/38/26/562933826.db2.gz RLICYBJWLLTHBX-UHFFFAOYSA-N 0 0 432.501 3.026 50 0 IGAARN CCOC(=O)c1[nH]c(CSc2nnnn2-c2ccccc2C)c(C(=O)OCC)c1C ZINC000003295888 562933913 /nfs/dbraw/zinc/93/39/13/562933913.db2.gz KOJWSXXWBAEOSU-UHFFFAOYSA-N 0 0 429.502 3.253 50 0 IGAARN Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003365314 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0 0 437.477 3.215 50 0 IGAARN COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)sc2c1 ZINC000004035307 562941037 /nfs/dbraw/zinc/94/10/37/562941037.db2.gz HGOOYRMIPRDGGV-HNNXBMFYSA-N 0 0 425.557 3.308 50 0 IGAARN COc1cccc(CN2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000004110752 562942047 /nfs/dbraw/zinc/94/20/47/562942047.db2.gz SLFYZNJJJPKHGX-UHFFFAOYSA-N 0 0 439.375 3.354 50 0 IGAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1 ZINC000006577082 562947432 /nfs/dbraw/zinc/94/74/32/562947432.db2.gz SEFPQTPIKCDNJN-UHFFFAOYSA-N 0 0 437.525 3.207 50 0 IGAARN Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000006577432 562947593 /nfs/dbraw/zinc/94/75/93/562947593.db2.gz XHYFSGABAWEPAH-SSEXGKCCSA-N 0 0 430.457 3.083 50 0 aggregator IGAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccnc1 ZINC000006577435 562947596 /nfs/dbraw/zinc/94/75/96/562947596.db2.gz SHGCDRDWXZALPZ-UHFFFAOYSA-N 0 0 444.582 3.001 50 0 IGAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)c1 ZINC000006577467 562947655 /nfs/dbraw/zinc/94/76/55/562947655.db2.gz RCNOQRRCOLVPTI-LJQANCHMSA-N 0 0 437.521 3.477 50 0 IGAARN CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006578003 562948001 /nfs/dbraw/zinc/94/80/01/562948001.db2.gz LRVUWRRPIAVXPR-UHFFFAOYSA-N 0 0 435.546 3.334 50 0 IGAARN CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000006652860 562948159 /nfs/dbraw/zinc/94/81/59/562948159.db2.gz LEKZYDWUOLEIHQ-GOSISDBHSA-N 0 0 429.586 3.493 50 0 IGAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)c1 ZINC000006806179 562948401 /nfs/dbraw/zinc/94/84/01/562948401.db2.gz WPBGCXXSZDTIQV-GOSISDBHSA-N 0 0 425.558 3.487 50 0 IGAARN CC1CCN(C(=O)Cn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)CC1 ZINC000006867495 562948462 /nfs/dbraw/zinc/94/84/62/562948462.db2.gz PONZHYBBKIILKC-GOSISDBHSA-N 0 0 429.586 3.287 50 0 IGAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)CC)c(O)c3c2)cc1 ZINC000008584634 562950012 /nfs/dbraw/zinc/95/00/12/562950012.db2.gz LBCKGKHGGGKUBU-AWEZNQCLSA-N 0 0 443.525 3.256 50 0 IGAARN CCOCCCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000008590981 562951931 /nfs/dbraw/zinc/95/19/31/562951931.db2.gz MGFPPIUTXOIBAK-UHFFFAOYSA-N 0 0 431.537 3.356 50 0 IGAARN CCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccc(OC)cc3OC)c(=O)c21 ZINC000008590960 562951968 /nfs/dbraw/zinc/95/19/68/562951968.db2.gz OBQMTSJTHJCMLA-UHFFFAOYSA-N 0 0 448.523 3.137 50 0 IGAARN CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1 ZINC000008592817 562952490 /nfs/dbraw/zinc/95/24/90/562952490.db2.gz WRDMTUVYHLSMNH-UHFFFAOYSA-N 0 0 446.344 3.490 50 0 IGAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N[C@@H](C)CC)c2=O)CCC4)cc1 ZINC000008593180 562952557 /nfs/dbraw/zinc/95/25/57/562952557.db2.gz BJBRFNISMOERFE-AWEZNQCLSA-N 0 0 441.553 3.016 50 0 IGAARN CC(C)OCCCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008593213 562952625 /nfs/dbraw/zinc/95/26/25/562952625.db2.gz XBVLXDJZEOMEFI-UHFFFAOYSA-N 0 0 435.590 3.137 50 0 IGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)c(Cl)c1 ZINC000008593616 562952756 /nfs/dbraw/zinc/95/27/56/562952756.db2.gz PVCBCMZBAWVYTE-UHFFFAOYSA-N 0 0 434.905 3.224 50 0 IGAARN COC(=O)c1ccccc1NC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008593907 562952917 /nfs/dbraw/zinc/95/29/17/562952917.db2.gz JPWKBRVVBKKOND-UHFFFAOYSA-N 0 0 445.479 3.014 50 0 IGAARN CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000008594477 562952970 /nfs/dbraw/zinc/95/29/70/562952970.db2.gz YNYVAZHLFBRPMJ-UHFFFAOYSA-N 0 0 440.909 3.404 50 0 aggregator IGAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(C)=O)c3)c(C)o2)c1 ZINC000008597910 562954116 /nfs/dbraw/zinc/95/41/16/562954116.db2.gz NDAFHNHEEJHBFO-UHFFFAOYSA-N 0 0 442.493 3.415 50 0 IGAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000008601859 562955677 /nfs/dbraw/zinc/95/56/77/562955677.db2.gz OZMDXAFKMSUGCS-NRFANRHFSA-N 0 0 449.550 3.399 50 0 IGAARN Cc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccs3)cc2=O)s1 ZINC000008607013 562957203 /nfs/dbraw/zinc/95/72/03/562957203.db2.gz SNRIBIMLQOAMHT-UHFFFAOYSA-N 0 0 426.479 3.130 50 0 IGAARN COc1ccccc1C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000008607692 562957336 /nfs/dbraw/zinc/95/73/36/562957336.db2.gz WWDGIVGNRBYAAG-UHFFFAOYSA-N 0 0 435.461 3.374 50 0 IGAARN COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 ZINC000008607830 562957351 /nfs/dbraw/zinc/95/73/51/562957351.db2.gz ZIIOZZKMZMRLFX-UHFFFAOYSA-N 0 0 435.461 3.374 50 0 IGAARN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000008607919 562957353 /nfs/dbraw/zinc/95/73/53/562957353.db2.gz SDARZLBQHLQEDJ-UHFFFAOYSA-N 0 0 449.488 3.439 50 0 IGAARN CCCSCCCNC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000008609716 562957926 /nfs/dbraw/zinc/95/79/26/562957926.db2.gz DTTPGCFHTDWLOB-UHFFFAOYSA-N 0 0 439.585 3.428 50 0 IGAARN CC(C)c1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000008611498 562958618 /nfs/dbraw/zinc/95/86/18/562958618.db2.gz BFJRAVWPJKHKKY-UHFFFAOYSA-N 0 0 443.525 3.141 50 0 IGAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008671127 562960795 /nfs/dbraw/zinc/96/07/95/562960795.db2.gz MVXXWTAZLXFVHS-AWEZNQCLSA-N 0 0 446.554 3.129 50 0 IGAARN CC(C)CC(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008681033 562961641 /nfs/dbraw/zinc/96/16/41/562961641.db2.gz IGEABFIWFCLESG-UHFFFAOYSA-N 0 0 444.372 3.461 50 0 IGAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000008685357 562962487 /nfs/dbraw/zinc/96/24/87/562962487.db2.gz UJKSBOJNOHUYQE-GPLLRDDGSA-N 0 0 431.901 3.355 50 0 IGAARN CC(C)(CNC(=S)NCCc1ccccc1)CNC(=S)NCCc1ccccc1 ZINC000008773142 562964082 /nfs/dbraw/zinc/96/40/82/562964082.db2.gz TZQOONHGOXXLRH-UHFFFAOYSA-N 0 0 428.671 3.426 50 0 IGAARN CCOc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)cc1 ZINC000008831463 562965026 /nfs/dbraw/zinc/96/50/26/562965026.db2.gz WBDSCLCOIRFDGR-UHFFFAOYSA-N 0 0 439.522 3.489 50 0 IGAARN CN(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008897385 562965800 /nfs/dbraw/zinc/96/58/00/562965800.db2.gz NIPBWAHVKDHIDQ-ZDUSSCGKSA-N 0 0 433.580 3.096 50 0 IGAARN CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000009036164 562966681 /nfs/dbraw/zinc/96/66/81/562966681.db2.gz RLNIZXOVTKBVFM-AWEZNQCLSA-N 0 0 442.459 3.436 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCC1CCCCC1 ZINC000009119458 562967376 /nfs/dbraw/zinc/96/73/76/562967376.db2.gz ZWDREKKOLKNCND-KRWDZBQOSA-N 0 0 436.574 3.103 50 0 IGAARN COc1ccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)cc1OC ZINC000009130009 562967667 /nfs/dbraw/zinc/96/76/67/562967667.db2.gz LIJNSYSCNLRDSQ-UHFFFAOYSA-N 0 0 436.493 3.113 50 0 IGAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009168197 562967944 /nfs/dbraw/zinc/96/79/44/562967944.db2.gz SYZHPYYICPMYLD-FQEVSTJZSA-N 0 0 438.509 3.418 50 0 IGAARN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000009333455 562969304 /nfs/dbraw/zinc/96/93/04/562969304.db2.gz LPJBWMPKFHBCDE-UHFFFAOYSA-N 0 0 446.569 3.034 50 0 IGAARN COc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000009351279 562969438 /nfs/dbraw/zinc/96/94/38/562969438.db2.gz WHUKSHYXRRGLHU-UHFFFAOYSA-N 0 0 428.510 3.205 50 0 IGAARN COc1ccc(N(CC(C)C)S(=O)(=O)c2nnc(NC(=O)CC(C)C)s2)cc1 ZINC000009405034 562970077 /nfs/dbraw/zinc/97/00/77/562970077.db2.gz OJUGDJAEALAWBE-UHFFFAOYSA-N 0 0 426.564 3.383 50 0 IGAARN Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)c2ccccc21 ZINC000009435236 562971003 /nfs/dbraw/zinc/97/10/03/562971003.db2.gz DUZKGAKOQPCBNR-JWGURIENSA-N 0 0 427.508 3.352 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1C ZINC000009530160 562973055 /nfs/dbraw/zinc/97/30/55/562973055.db2.gz QZEGUAMHTOCGMS-UHFFFAOYSA-N 0 0 429.498 3.168 50 0 IGAARN CC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1 ZINC000009671910 562975207 /nfs/dbraw/zinc/97/52/07/562975207.db2.gz VPHSTIRGRVHLLV-SFHVURJKSA-N 0 0 436.339 3.415 50 0 IGAARN COc1cccc(CNC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 ZINC000009982720 562978235 /nfs/dbraw/zinc/97/82/35/562978235.db2.gz VRARBYORKKOKKM-SANMLTNESA-N 0 0 443.503 3.001 50 0 IGAARN COc1ccc(OC)c([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000013123510 562984729 /nfs/dbraw/zinc/98/47/29/562984729.db2.gz TZMAKOQJXCURSO-SFHVURJKSA-N 0 0 425.876 3.390 50 0 IGAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(Br)c1 ZINC000013123689 562984741 /nfs/dbraw/zinc/98/47/41/562984741.db2.gz FTZMPDMWTJKQCX-QGZVFWFLSA-N 0 0 441.289 3.372 50 0 IGAARN COc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 ZINC000035485609 563089913 /nfs/dbraw/zinc/08/99/13/563089913.db2.gz KPUWWZJUEIXHNB-ZEQRLZLVSA-N 0 0 429.520 3.076 50 0 IGAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC ZINC000037868513 563095960 /nfs/dbraw/zinc/09/59/60/563095960.db2.gz WVBNINPRELCVIX-GOTSBHOMSA-N 0 0 431.492 3.326 50 0 IGAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000015027262 568632162 /nfs/dbraw/zinc/63/21/62/568632162.db2.gz YMTXAYOXCLUXTP-OAQYLSRUSA-N 0 0 432.542 3.272 50 0 IGAARN COc1ccc(Cn2c(CN3CCC(C(=O)N4CCOCC4)CC3)nc3ccccc32)cc1 ZINC000247894779 568632249 /nfs/dbraw/zinc/63/22/49/568632249.db2.gz OFUSEVHUFCITGH-UHFFFAOYSA-N 0 0 448.567 3.164 50 0 IGAARN CN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000248144449 568633929 /nfs/dbraw/zinc/63/39/29/568633929.db2.gz RMPVVKZAKDJAOL-UHFFFAOYSA-N 0 0 435.547 3.151 50 0 IGAARN O=C(NCc1ccncc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025107447 568636565 /nfs/dbraw/zinc/63/65/65/568636565.db2.gz AKBUZWYARCVRIJ-HXUWFJFHSA-N 0 0 429.480 3.127 50 0 IGAARN O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019077939 568637953 /nfs/dbraw/zinc/63/79/53/568637953.db2.gz BEUSXZSHGRQHBK-UHFFFAOYSA-N 0 0 436.603 3.275 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@@H](C)C2)c(C)c1 ZINC000252508298 568639298 /nfs/dbraw/zinc/63/92/98/568639298.db2.gz XJMFGTGZBRQZAJ-IBGZPJMESA-N 0 0 436.599 3.004 50 0 IGAARN COC(=O)[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@H]4CC[C@@H]32)C1 ZINC000253503632 568643135 /nfs/dbraw/zinc/64/31/35/568643135.db2.gz XGYKXXRAKKQWDL-DBFOSNMMSA-N 0 0 446.540 3.392 50 0 IGAARN CC(=O)N(c1nc(COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cs1)c1ccccc1 ZINC000025203576 568647591 /nfs/dbraw/zinc/64/75/91/568647591.db2.gz PFZCRSOGTGZBLJ-UHFFFAOYSA-N 0 0 435.461 3.411 50 0 IGAARN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000025408736 568656700 /nfs/dbraw/zinc/65/67/00/568656700.db2.gz KLMFZDPLXLPZIR-UHFFFAOYSA-N 0 0 443.352 3.366 50 0 IGAARN COc1cc(Br)cc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc21 ZINC000001075831 568656720 /nfs/dbraw/zinc/65/67/20/568656720.db2.gz DFELGHFXAHBQLC-UHFFFAOYSA-N 0 0 432.226 3.223 50 0 IGAARN CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063376228 568739514 /nfs/dbraw/zinc/73/95/14/568739514.db2.gz DWVXOOBBWLALOE-RTWAWAEBSA-N 0 0 432.973 3.478 50 0 IGAARN O=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000006017348 568740235 /nfs/dbraw/zinc/74/02/35/568740235.db2.gz QLMWIYCYYIYZEN-UHFFFAOYSA-N 0 0 432.505 3.244 50 0 IGAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1 ZINC000006016883 568740281 /nfs/dbraw/zinc/74/02/81/568740281.db2.gz OPZCLKYTVWRZLX-UHFFFAOYSA-N 0 0 433.125 3.334 50 0 IGAARN Cc1c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cnn1-c1ccc(Br)cc1 ZINC000058702565 568740722 /nfs/dbraw/zinc/74/07/22/568740722.db2.gz WIGJPDCGTPJVEO-UHFFFAOYSA-N 0 0 433.350 3.274 50 0 IGAARN COc1cccc(CNC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1 ZINC000031613821 568741237 /nfs/dbraw/zinc/74/12/37/568741237.db2.gz IJUAVXDNGGJXNU-UHFFFAOYSA-N 0 0 432.505 3.198 50 0 IGAARN Cc1c(NC(=O)CSc2nnc3ccc4ccccc4n32)c(=O)n(-c2ccccc2)n1C ZINC000001924298 568742402 /nfs/dbraw/zinc/74/24/02/568742402.db2.gz KOORISZGPBQDAT-UHFFFAOYSA-N 0 0 444.520 3.411 50 0 IGAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccc(C)c(C)c4)no2)c3=O)cc1 ZINC000044166631 568749269 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Cc1ccc(-n2nc(N3CCCN(C(=O)Cc4ccccc4C)CC3)ccc2=O)cc1C ZINC000085654148 568832451 /nfs/dbraw/zinc/83/24/51/568832451.db2.gz JUIRTOSEEFETMY-UHFFFAOYSA-N 0 0 430.552 3.439 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(OC)cc1 ZINC000006131948 568844994 /nfs/dbraw/zinc/84/49/94/568844994.db2.gz NTAVKGIDWQQSLT-UHFFFAOYSA-N 0 0 448.570 3.223 50 0 IGAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000015863950 568849565 /nfs/dbraw/zinc/84/95/65/568849565.db2.gz UWNVAZWVZYBUMM-GOSISDBHSA-N 0 0 444.513 3.241 50 0 IGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000015880127 568853947 /nfs/dbraw/zinc/85/39/47/568853947.db2.gz BUTLJRYMSOBORB-MRXNPFEDSA-N 0 0 448.614 3.337 50 0 IGAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000015881850 568855656 /nfs/dbraw/zinc/85/56/56/568855656.db2.gz CUVZASPKZWIIAI-UHFFFAOYSA-N 0 0 435.958 3.072 50 0 IGAARN O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21)NCc1ccc(F)cc1 ZINC000015881712 568856070 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CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc4c(c2)CCC4)CC3)CC1 ZINC000065273451 569129570 /nfs/dbraw/zinc/12/95/70/569129570.db2.gz JBURUOGKKPYRGP-SFHVURJKSA-N 0 0 438.597 3.434 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(F)cc2F)CC3)CC1 ZINC000065273488 569129578 /nfs/dbraw/zinc/12/95/78/569129578.db2.gz VJNVJKRYCYDRBV-CYBMUJFWSA-N 0 0 434.512 3.224 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(OC)cc2C)CC3)CC1 ZINC000065273573 569129743 /nfs/dbraw/zinc/12/97/43/569129743.db2.gz IIHDBKRLNTZGBV-INIZCTEOSA-N 0 0 442.585 3.262 50 0 IGAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273558 569129768 /nfs/dbraw/zinc/12/97/68/569129768.db2.gz VWCXZPKYCRNPQU-LJQANCHMSA-N 0 0 440.613 3.240 50 0 IGAARN Cc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273604 569129906 /nfs/dbraw/zinc/12/99/06/569129906.db2.gz REEPRIIUKLKUJQ-QGZVFWFLSA-N 0 0 426.586 3.500 50 0 IGAARN Cc1oc(CNS(=O)(=O)c2cccc(Cl)c2C)nc1C(=O)N1CCC(C)CC1 ZINC000065293839 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569417436 /nfs/dbraw/zinc/41/74/36/569417436.db2.gz NMCOSZAJXSERBE-UHFFFAOYSA-N 0 0 431.543 3.404 50 0 IGAARN Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@H]2c2ccco2)cc1 ZINC000230026930 569417769 /nfs/dbraw/zinc/41/77/69/569417769.db2.gz IBWVDLQGQPPIOV-NCRNPNGZSA-N 0 0 432.476 3.027 50 0 IGAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000028727605 569418895 /nfs/dbraw/zinc/41/88/95/569418895.db2.gz HEHGCOFWZKBJSI-LBPRGKRZSA-N 0 0 441.347 3.061 50 0 IGAARN Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2Br)c1Br ZINC000002797427 569422162 /nfs/dbraw/zinc/42/21/62/569422162.db2.gz KSUYNKOKVHHMQO-UHFFFAOYSA-N 0 0 432.141 3.380 50 0 IGAARN Fc1ccc(-c2nc(CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)co2)cc1 ZINC000028965530 569423736 /nfs/dbraw/zinc/42/37/36/569423736.db2.gz UNVUMXOOWGDBMP-SFHVURJKSA-N 0 0 445.520 3.380 50 0 IGAARN Fc1ccc(-c2nc(CSc3nnc(N4CCOCC4)n3C[C@H]3CCCO3)co2)cc1 ZINC000028965536 569423756 /nfs/dbraw/zinc/42/37/56/569423756.db2.gz 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O=C(NCc1ccc(Cl)cc1)C1=NN(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000067350141 569469025 /nfs/dbraw/zinc/46/90/25/569469025.db2.gz MMUMIINXYIRFBY-UHFFFAOYSA-N 0 0 444.875 3.429 50 0 IGAARN CS(=O)(=O)N1CC[C@H](C(=O)NCCSc2ccccc2)Oc2ccc(Cl)cc21 ZINC000038836606 569469254 /nfs/dbraw/zinc/46/92/54/569469254.db2.gz VJHSZNLKIPNBIQ-GOSISDBHSA-N 0 0 440.974 3.166 50 0 IGAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc2ccccc2oc1=O ZINC000038934934 569469579 /nfs/dbraw/zinc/46/95/79/569469579.db2.gz LHGINRWXNCUKEG-MRXNPFEDSA-N 0 0 446.550 3.218 50 0 IGAARN O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)N1CCOCC1 ZINC000008659907 569469741 /nfs/dbraw/zinc/46/97/41/569469741.db2.gz HTWKAZNFWIYRKL-UHFFFAOYSA-N 0 0 441.528 3.161 50 0 IGAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 ZINC000008661543 569469848 /nfs/dbraw/zinc/46/98/48/569469848.db2.gz SKTKOJXNUHBLTL-HZSPNIEDSA-N 0 0 449.436 3.416 50 0 IGAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008708309 569470652 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O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009730335 569564471 /nfs/dbraw/zinc/56/44/71/569564471.db2.gz WNJNWZOKTPOYHR-UHFFFAOYSA-N 0 0 447.582 3.024 50 0 IGAARN COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000009731244 569564587 /nfs/dbraw/zinc/56/45/87/569564587.db2.gz ZVKWQUIXLIBGJL-OAHLLOKOSA-N 0 0 432.480 3.486 50 0 IGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000009731625 569564651 /nfs/dbraw/zinc/56/46/51/569564651.db2.gz WBBLGVSFKAZRAG-KRWDZBQOSA-N 0 0 444.413 3.437 50 0 IGAARN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000009740601 569565135 /nfs/dbraw/zinc/56/51/35/569565135.db2.gz KNCCNRACDLKJOF-NRFANRHFSA-N 0 0 449.550 3.399 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000009741211 569565179 /nfs/dbraw/zinc/56/51/79/569565179.db2.gz MEJBRLWWITVUAG-HXUWFJFHSA-N 0 0 447.944 3.041 50 0 IGAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000009742562 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C[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(Br)cc4)c(=O)c32)C1 ZINC000006163162 193887381 /nfs/dbraw/zinc/88/73/81/193887381.db2.gz NAFYNTPJPVFZCZ-SNVBAGLBSA-N 0 0 433.331 3.379 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1C ZINC000009834310 193900941 /nfs/dbraw/zinc/90/09/41/193900941.db2.gz DLMNTQYIDCOCHM-UHFFFAOYSA-N 0 0 433.530 3.091 50 0 IGAARN CN(C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)[C@@H]1CCCc2ccccc21 ZINC000009847236 193905240 /nfs/dbraw/zinc/90/52/40/193905240.db2.gz OTWOOYCSBSJTNW-HXUWFJFHSA-N 0 0 445.610 3.494 50 0 IGAARN Cc1ccccc1CN1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 ZINC000053517413 193929083 /nfs/dbraw/zinc/92/90/83/193929083.db2.gz IWGNUIWACADUSY-UHFFFAOYSA-N 0 0 434.931 3.393 50 0 IGAARN Cc1ccc2cnn(CCC(=O)Nc3cccc(CS(=O)(=O)NCC(C)C)c3)c2c1 ZINC000223232533 193955396 /nfs/dbraw/zinc/95/53/96/193955396.db2.gz YXKWOFUNLUZIOG-UHFFFAOYSA-N 0 0 428.558 3.449 50 0 IGAARN C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)c2ccccc2C1=O ZINC000009009414 132226441 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CC(=O)c1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012462120 518362742 /nfs/dbraw/zinc/36/27/42/518362742.db2.gz QTZHNNMDOCHFGV-UHFFFAOYSA-N 0 0 433.493 3.351 50 0 biogenic,in-vitro IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 ZINC000033467031 518404788 /nfs/dbraw/zinc/40/47/88/518404788.db2.gz YSVFAUZTWJCLQC-WCIBSUBMSA-N 0 0 432.929 3.089 50 0 IGAARN CC(C)Cn1c(CN(C)C[C@@H]2CCCCN2C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000022914095 519485245 /nfs/dbraw/zinc/48/52/45/519485245.db2.gz LOAZHJVSILVART-NRFANRHFSA-N 0 0 432.634 3.429 50 0 IGAARN CC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012419790 519593897 /nfs/dbraw/zinc/59/38/97/519593897.db2.gz ODQOFUHWEPVFMX-UHFFFAOYSA-N 0 0 439.537 3.460 50 0 IGAARN CC(=O)N1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012419793 519594207 /nfs/dbraw/zinc/59/42/07/519594207.db2.gz FYPPZUDCUWMUPZ-UHFFFAOYSA-N 0 0 439.537 3.460 50 0 IGAARN CC(=O)N1CCc2cc(NC(=O)CN(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)ccc21 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CC(C)Oc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752445 519779193 /nfs/dbraw/zinc/77/91/93/519779193.db2.gz DYZQWAQYCZOCDH-UHFFFAOYSA-N 0 0 425.558 3.235 50 0 IGAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000012769015 519798220 /nfs/dbraw/zinc/79/82/20/519798220.db2.gz PIQYGOJIIAWLRS-RBUKOAKNSA-N 0 0 444.403 3.221 50 0 IGAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009218653 519798795 /nfs/dbraw/zinc/79/87/95/519798795.db2.gz PPQWKDCSOAOFOR-JOCHJYFZSA-N 0 0 439.581 3.231 50 0 IGAARN CC(C)c1nc2oc3c(ncnc3NCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020533509 519872696 /nfs/dbraw/zinc/87/26/96/519872696.db2.gz ZPQGPHXTBILVPL-UHFFFAOYSA-N 0 0 425.533 3.490 50 0 IGAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccc(F)cc1)[C@@H](C(=O)N(C)C)C2 ZINC000065167169 519878678 /nfs/dbraw/zinc/87/86/78/519878678.db2.gz SDQSHFGPWPMFJL-OAQYLSRUSA-N 0 0 425.504 3.149 50 0 IGAARN CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000012310262 519883643 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CC(C)(CC(=O)NCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005799 556689870 /nfs/dbraw/zinc/68/98/70/556689870.db2.gz UCXCPNNZSDNVOC-UHFFFAOYSA-N 0 0 433.487 3.295 50 0 IGAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)NCc4ccccc4)nnc3c2=O)cc1 ZINC000046005722 556689902 /nfs/dbraw/zinc/68/99/02/556689902.db2.gz BKKSIQYVEHBIEG-SFHVURJKSA-N 0 0 445.523 3.164 50 0 IGAARN O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000252484353 556690131 /nfs/dbraw/zinc/69/01/31/556690131.db2.gz FURURAHPWCAHSB-LJQANCHMSA-N 0 0 441.915 3.260 50 0 IGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@H](NC(C)=O)c1ccccc1Cl ZINC000032937488 556690291 /nfs/dbraw/zinc/69/02/91/556690291.db2.gz DMODAVXKNABURN-KRWDZBQOSA-N 0 0 434.876 3.350 50 0 IGAARN CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)c1nc2ccccc2[nH]1 ZINC000252538420 556692355 /nfs/dbraw/zinc/69/23/55/556692355.db2.gz NATJFQFPHWOFRI-SPLOXXLWSA-N 0 0 449.511 3.194 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NCc3cccnc3)CC2)c1C 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CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)Nc1nccs1 ZINC000009263617 557184870 /nfs/dbraw/zinc/18/48/70/557184870.db2.gz TVVKFYSQROQCBX-CYBMUJFWSA-N 0 0 430.559 3.363 50 0 IGAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(CC(=O)Nc3ccccc3C)n2C)sc1C ZINC000009303439 557185782 /nfs/dbraw/zinc/18/57/82/557185782.db2.gz GCTWXMHUTBDATR-AWEZNQCLSA-N 0 0 444.586 3.497 50 0 IGAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)sc1C ZINC000009303491 557185789 /nfs/dbraw/zinc/18/57/89/557185789.db2.gz ZDSMVHQOGKJBLB-LBPRGKRZSA-N 0 0 448.549 3.328 50 0 IGAARN Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1O ZINC000009328590 557187172 /nfs/dbraw/zinc/18/71/72/557187172.db2.gz NSYPMMFQZNILIM-UHFFFAOYSA-N 0 0 431.905 3.086 50 0 IGAARN O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cc(F)ccc1F ZINC000097996780 557188266 /nfs/dbraw/zinc/18/82/66/557188266.db2.gz ZAJNQNHLSBSZNV-CAOOACKPSA-N 0 0 432.404 3.160 50 0 IGAARN COc1ccc2c(c1)sc(=NC(=O)CSCC(=O)N1CCCc3ccccc31)n2C ZINC000100825344 557189549 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Cc1nc2sc3c(c2c(=O)n1C[C@@H](O)COCc1ccc2c(c1)OCO2)CC[C@@H](C)C3 ZINC000025063066 557193581 /nfs/dbraw/zinc/19/35/81/557193581.db2.gz BBMUBVMUNLNOFI-CZUORRHYSA-N 0 0 442.537 3.198 50 0 IGAARN COC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cccs1 ZINC000072232405 557194516 /nfs/dbraw/zinc/19/45/16/557194516.db2.gz BNLPCVNPSZHJCE-CYBMUJFWSA-N 0 0 436.324 3.374 50 0 IGAARN CC(=O)c1nn(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100877305 557195633 /nfs/dbraw/zinc/19/56/33/557195633.db2.gz UOXCUMIRKOOANI-WMZOPIPTSA-N 0 0 426.270 3.081 50 0 IGAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCCCc1ccc(N(C)C)cc1 ZINC000025140711 557196561 /nfs/dbraw/zinc/19/65/61/557196561.db2.gz RWSZJFKYKWINLU-UHFFFAOYSA-N 0 0 439.585 3.258 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)/N=c3/sc4cc(C)ccc4n3C)CC2)cc1 ZINC000100892296 557198561 /nfs/dbraw/zinc/19/85/61/557198561.db2.gz GQTGFUCGTOFBGX-GHVJWSGMSA-N 0 0 443.594 3.385 50 0 IGAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000025214674 557200073 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Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000025784716 557226794 /nfs/dbraw/zinc/22/67/94/557226794.db2.gz HRLBRIRSDKPIKT-NRFANRHFSA-N 0 0 446.551 3.379 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)NCCn2c3ncccc3nc2-c2ccccc2)cc1 ZINC000032949660 557228020 /nfs/dbraw/zinc/22/80/20/557228020.db2.gz SPOZNSIAKBNZMM-UHFFFAOYSA-N 0 0 435.509 3.035 50 0 IGAARN O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCN(c2cnccn2)CC1 ZINC000025835887 557228108 /nfs/dbraw/zinc/22/81/08/557228108.db2.gz LMISDPTXZKKAPH-UHFFFAOYSA-N 0 0 430.537 3.379 50 0 IGAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025842152 557228388 /nfs/dbraw/zinc/22/83/88/557228388.db2.gz KXJCPNLMNMRKMY-UHFFFAOYSA-N 0 0 431.290 3.054 50 0 IGAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000025874009 557229052 /nfs/dbraw/zinc/22/90/52/557229052.db2.gz CVJAHNKACDODML-UHFFFAOYSA-N 0 0 436.555 3.452 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCCC1=CCCCC1 ZINC000011442560 557229153 /nfs/dbraw/zinc/22/91/53/557229153.db2.gz KDFNTZRDBIGNOM-SFHVURJKSA-N 0 0 448.585 3.413 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1OC ZINC000000806899 557229925 /nfs/dbraw/zinc/22/99/25/557229925.db2.gz YCWFGKLNDGPPCO-UHFFFAOYSA-N 0 0 432.542 3.360 50 0 IGAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000032950230 557234947 /nfs/dbraw/zinc/23/49/47/557234947.db2.gz BZJGGKQEERLUNK-CYBMUJFWSA-N 0 0 426.498 3.323 50 0 IGAARN COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)n[nH]2)cc1 ZINC000098211650 557235134 /nfs/dbraw/zinc/23/51/34/557235134.db2.gz OBLNHGGBVKYWQO-UHFFFAOYSA-N 0 0 433.512 3.396 50 0 IGAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(n2c(C)nc3cccnc32)CC1 ZINC000032950356 557235471 /nfs/dbraw/zinc/23/54/71/557235471.db2.gz NZZHIYWNHSRIQU-UHFFFAOYSA-N 0 0 427.530 3.032 50 0 IGAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1=Cc2ccccc2OC1 ZINC000018086145 557235977 /nfs/dbraw/zinc/23/59/77/557235977.db2.gz SUSHGOUSHVYXBI-UHFFFAOYSA-N 0 0 441.553 3.342 50 0 IGAARN Cc1ccc([C@@](O)(CCNC(=O)N2CCN(c3ccccc3F)CC2)C(F)(F)F)o1 ZINC000026289118 557238582 /nfs/dbraw/zinc/23/85/82/557238582.db2.gz JGPVKMUZZZYOFN-IBGZPJMESA-N 0 0 429.414 3.399 50 0 IGAARN COc1ccccc1C(=O)N1CCC[C@@]2(C1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000583649100 557240060 /nfs/dbraw/zinc/24/00/60/557240060.db2.gz WOXTYDUJRSKZKH-QFIPXVFZSA-N 0 0 427.888 3.075 50 0 IGAARN CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000026380831 557240195 /nfs/dbraw/zinc/24/01/95/557240195.db2.gz HQJLXSOQXRVPSF-UHFFFAOYSA-N 0 0 426.483 3.184 50 0 IGAARN Cc1ccc(CNC(=O)NCc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1 ZINC000583649871 557240613 /nfs/dbraw/zinc/24/06/13/557240613.db2.gz ZVDMPYNJZVFSLS-SFHVURJKSA-N 0 0 437.475 3.033 50 0 IGAARN CCCCn1nnnc1COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000026458073 557241728 /nfs/dbraw/zinc/24/17/28/557241728.db2.gz NZDWEQOWYOPNFZ-ZDUSSCGKSA-N 0 0 429.424 3.038 50 0 IGAARN O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000018173229 557245668 /nfs/dbraw/zinc/24/56/68/557245668.db2.gz SUIYDHRJGUCCAC-UHFFFAOYSA-N 0 0 442.310 3.127 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2ccccc2C(F)(F)F)NC(=O)N[C@@H]1c1ccco1 ZINC000018187060 557245909 /nfs/dbraw/zinc/24/59/09/557245909.db2.gz UIMOQLIBXJJMBX-MRXNPFEDSA-N 0 0 438.358 3.327 50 0 IGAARN CCCNC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl ZINC000018244019 557253934 /nfs/dbraw/zinc/25/39/34/557253934.db2.gz UFSXTJYKDTUQHN-FQEVSTJZSA-N 0 0 441.915 3.232 50 0 IGAARN COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000027017643 557254320 /nfs/dbraw/zinc/25/43/20/557254320.db2.gz GRTRMWJCEJSFHN-FQEVSTJZSA-N 0 0 445.475 3.457 50 0 IGAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl ZINC000000813706 557254935 /nfs/dbraw/zinc/25/49/35/557254935.db2.gz SDQKWAWOLFJNNH-UHFFFAOYSA-N 0 0 445.324 3.275 50 0 IGAARN COc1cccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000101113923 557256268 /nfs/dbraw/zinc/25/62/68/557256268.db2.gz YKEJAXGTXKVBKE-HPNDGRJYSA-N 0 0 444.447 3.248 50 0 IGAARN O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000027110575 557257215 /nfs/dbraw/zinc/25/72/15/557257215.db2.gz XYWDNRRCYBFKIE-ZDUSSCGKSA-N 0 0 427.258 3.491 50 0 IGAARN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 ZINC000027404134 557261800 /nfs/dbraw/zinc/26/18/00/557261800.db2.gz OZHIHIAZDXXRDF-LLVKDONJSA-N 0 0 435.855 3.300 50 0 IGAARN COc1cc2c(cc1/C=C/C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)O[C@H](C)C2 ZINC000012948343 557265148 /nfs/dbraw/zinc/26/51/48/557265148.db2.gz RULYMNSKUDJWTO-UKINESCASA-N 0 0 436.508 3.105 50 0 IGAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c2c(sc1NC(=O)c1cccc(Cl)c1)CCC2 ZINC000027663649 557269768 /nfs/dbraw/zinc/26/97/68/557269768.db2.gz WOPPAGSLNAOWPP-ZDUSSCGKSA-N 0 0 438.958 3.059 50 0 IGAARN O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664067 557269925 /nfs/dbraw/zinc/26/99/25/557269925.db2.gz HGSMYFWMMWXACW-AWEZNQCLSA-N 0 0 446.750 3.454 50 0 IGAARN O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664066 557269976 /nfs/dbraw/zinc/26/99/76/557269976.db2.gz HGSMYFWMMWXACW-CQSZACIVSA-N 0 0 446.750 3.454 50 0 IGAARN Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)COc3ccccc3Cl)s2)c1 ZINC000027664127 557270361 /nfs/dbraw/zinc/27/03/61/557270361.db2.gz XRWVOCJUPAIEPI-UHFFFAOYSA-N 0 0 437.930 3.491 50 0 IGAARN COc1cc(C)c(CN2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1OC ZINC000022925480 557273633 /nfs/dbraw/zinc/27/36/33/557273633.db2.gz FKBFOJFMVHLXOP-LJQANCHMSA-N 0 0 443.563 3.316 50 0 IGAARN Cc1c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000022957181 557275328 /nfs/dbraw/zinc/27/53/28/557275328.db2.gz CFAPNICMFPIIAK-UHFFFAOYSA-N 0 0 427.404 3.184 50 0 IGAARN COC(=O)c1cc(=O)n(Cc2ccc(OC)c(OC)c2)/c(=N/c2ccc(F)cc2)s1 ZINC000101487775 557287978 /nfs/dbraw/zinc/28/79/78/557287978.db2.gz IHTKABADEZYSSI-LNVKXUELSA-N 0 0 430.457 3.133 50 0 IGAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1ccccc1Cl ZINC000101711560 557294160 /nfs/dbraw/zinc/29/41/60/557294160.db2.gz 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NS(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000014118882 557307594 /nfs/dbraw/zinc/30/75/94/557307594.db2.gz KRVIYQLGEMLSPE-UHFFFAOYSA-N 0 0 432.505 3.117 50 0 IGAARN CC(C)(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000014139161 557309301 /nfs/dbraw/zinc/30/93/01/557309301.db2.gz DKLMSHBFZIHNTN-UHFFFAOYSA-N 0 0 432.542 3.023 50 0 IGAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccccc1-c1ccccc1 ZINC000102127615 557312889 /nfs/dbraw/zinc/31/28/89/557312889.db2.gz ZQEXNXBHQYKIOJ-BGYRXZFFSA-N 0 0 434.492 3.401 50 0 IGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000014168832 557313140 /nfs/dbraw/zinc/31/31/40/557313140.db2.gz ODHVOIDYGHDANW-UHFFFAOYSA-N 0 0 434.378 3.199 50 0 IGAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCCSc1ccc(Cl)cc1 ZINC000014200154 557317371 /nfs/dbraw/zinc/31/73/71/557317371.db2.gz JGYNHZFFWQEQIA-UHFFFAOYSA-N 0 0 440.974 3.395 50 0 IGAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCC(C)CC1 ZINC000102290194 557317788 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O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000222163210 557334175 /nfs/dbraw/zinc/33/41/75/557334175.db2.gz FWINPFBERRVCIE-VXKWHMMOSA-N 0 0 435.524 3.369 50 0 IGAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccccc4O)CC3)c2c1C ZINC000033424738 557334749 /nfs/dbraw/zinc/33/47/49/557334749.db2.gz RZWGAPOZRJSXDN-UHFFFAOYSA-N 0 0 439.585 3.173 50 0 IGAARN CNC(=O)[C@H]1CN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)c2ccccc2O1 ZINC000102533370 557344279 /nfs/dbraw/zinc/34/42/79/557344279.db2.gz GFFRNQYLVRJROO-XUZZJYLKSA-N 0 0 443.503 3.167 50 0 IGAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NC[C@@H]3COC(C)(C)O3)c2)cc1OC ZINC000023335980 557348516 /nfs/dbraw/zinc/34/85/16/557348516.db2.gz NIXAVNFVKDJNQL-LJQANCHMSA-N 0 0 437.496 3.438 50 0 IGAARN COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@@H]23)cc1OC ZINC000102557282 557358931 /nfs/dbraw/zinc/35/89/31/557358931.db2.gz DKRPKERPYQBJLG-FUHWJXTLSA-N 0 0 445.269 3.067 50 0 IGAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)[nH]n1 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429.879 3.248 50 0 IGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCCCC3)c12 ZINC000011696084 557393851 /nfs/dbraw/zinc/39/38/51/557393851.db2.gz WBIDFPUONKHFJN-SFHVURJKSA-N 0 0 438.553 3.392 50 0 IGAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)sc2C)cc1OCC ZINC000024072952 557395098 /nfs/dbraw/zinc/39/50/98/557395098.db2.gz XMBBXHKZOXNFQH-UHFFFAOYSA-N 0 0 426.560 3.422 50 0 IGAARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C ZINC000013955878 557397750 /nfs/dbraw/zinc/39/77/50/557397750.db2.gz HELFJTYHVREFRL-LLVKDONJSA-N 0 0 449.458 3.454 50 0 IGAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccccc1F ZINC000013955833 557397795 /nfs/dbraw/zinc/39/77/95/557397795.db2.gz ALOXBWCJLZYBKD-UHFFFAOYSA-N 0 0 431.468 3.488 50 0 IGAARN CCOc1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1O ZINC000033579160 557412622 /nfs/dbraw/zinc/41/26/22/557412622.db2.gz IOVONLXRUBPUHQ-BYODANBRSA-N 0 0 430.276 3.151 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)C[C@H](C)O1 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Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000044838398 557538780 /nfs/dbraw/zinc/53/87/80/557538780.db2.gz SCQLXATWRGUUFC-UHFFFAOYSA-N 0 0 437.931 3.435 50 0 IGAARN O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1ccc(Cl)cc1F ZINC000044837096 557538835 /nfs/dbraw/zinc/53/88/35/557538835.db2.gz GNUXSLPTSCZJMB-UHFFFAOYSA-N 0 0 447.257 3.121 50 0 IGAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccccc1Cl ZINC000045447706 557543567 /nfs/dbraw/zinc/54/35/67/557543567.db2.gz RKQWAAICIINJHO-QFIPXVFZSA-N 0 0 428.872 3.009 50 0 IGAARN C[C@@H]1CN([C@H](CNS(=O)(=O)c2ccc(F)cc2)c2c(F)cccc2Cl)CCO1 ZINC000109033299 557545259 /nfs/dbraw/zinc/54/52/59/557545259.db2.gz LJECRLQVCRFYAC-FZKQIMNGSA-N 0 0 430.904 3.359 50 0 IGAARN CC(C)CCNC(=O)CSc1nc2c3cccnc3sc2c(=O)n1C[C@@H]1CCCO1 ZINC000045922642 557547852 /nfs/dbraw/zinc/54/78/52/557547852.db2.gz VMWZEHABCUPLBN-AWEZNQCLSA-N 0 0 446.598 3.440 50 0 IGAARN Nc1nc(SCC(=O)NC2CCCCC2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925130 557549857 /nfs/dbraw/zinc/54/98/57/557549857.db2.gz BAGGKDHZPXXMBT-UHFFFAOYSA-N 0 0 447.007 3.148 50 0 IGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)CS2 ZINC000045960770 557554892 /nfs/dbraw/zinc/55/48/92/557554892.db2.gz MYPPIUFBKXXCHM-UHFFFAOYSA-N 0 0 427.526 3.255 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2N2CCCC2)cc1 ZINC000045962019 557556982 /nfs/dbraw/zinc/55/69/82/557556982.db2.gz OWVQYOLOVNPRMS-UHFFFAOYSA-N 0 0 442.493 3.371 50 0 IGAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)cc1Cl ZINC000045970692 557558051 /nfs/dbraw/zinc/55/80/51/557558051.db2.gz AZGLHJBMUVSNLB-UHFFFAOYSA-N 0 0 435.962 3.007 50 0 IGAARN COc1cccc(N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000040161517 557709639 /nfs/dbraw/zinc/70/96/39/557709639.db2.gz GRRJWAGMWQNRGP-UHFFFAOYSA-N 0 0 439.375 3.054 50 0 IGAARN C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000225499418 557730815 /nfs/dbraw/zinc/73/08/15/557730815.db2.gz SSDYKAPJHGKOIK-RXVVDRJESA-N 0 0 443.588 3.229 50 0 IGAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc(C3OCCO3)s2)CC1 ZINC000225638120 557755192 /nfs/dbraw/zinc/75/51/92/557755192.db2.gz GNMQHPHHSLQGPQ-OAHLLOKOSA-N 0 0 427.530 3.117 50 0 IGAARN C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000225716339 557767720 /nfs/dbraw/zinc/76/77/20/557767720.db2.gz WBVHWCXEIVNHJB-RXVVDRJESA-N 0 0 444.522 3.367 50 0 IGAARN O=C(Cn1cnc(-c2ccccc2)n1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000225740531 557771375 /nfs/dbraw/zinc/77/13/75/557771375.db2.gz KQKGLJBSKOSCAD-UHFFFAOYSA-N 0 0 439.273 3.074 50 0 IGAARN CC[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)cc1 ZINC000225833070 557782859 /nfs/dbraw/zinc/78/28/59/557782859.db2.gz ZFMFQHXOZNGWBO-LJQANCHMSA-N 0 0 441.594 3.312 50 0 IGAARN CCSc1nc2n(n1)[C@H](c1cn(C)nc1C)[C@@H](C(=O)Nc1ccccc1C)[C@@H](C)N2 ZINC000226439839 557807039 /nfs/dbraw/zinc/80/70/39/557807039.db2.gz IMXJZUHJSCUXIQ-FHLIZLRMSA-N 0 0 425.562 3.399 50 0 IGAARN Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1C[C@@H]1COc2ccccc2O1 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IGAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 ZINC000002456995 562927844 /nfs/dbraw/zinc/92/78/44/562927844.db2.gz OFDGTKZSUYFKKW-UHFFFAOYSA-N 0 0 426.498 3.410 50 0 IGAARN Cc1c(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000002501891 562928278 /nfs/dbraw/zinc/92/82/78/562928278.db2.gz MFHYLPQZMHEYJE-UHFFFAOYSA-N 0 0 427.329 3.197 50 0 IGAARN COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(Cl)cc4c3OCOC4)C2=O)cc1OC ZINC000002643525 562929075 /nfs/dbraw/zinc/92/90/75/562929075.db2.gz XFEHRXYGNIXIBQ-OAQYLSRUSA-N 0 0 432.860 3.191 50 0 IGAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000002952228 562931100 /nfs/dbraw/zinc/93/11/00/562931100.db2.gz OJMOJLURMSOBLM-UHFFFAOYSA-N 0 0 433.895 3.364 50 0 IGAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003023481 562931761 /nfs/dbraw/zinc/93/17/61/562931761.db2.gz NFDVWSVTKXNTFK-UHFFFAOYSA-N 0 0 432.395 3.118 50 0 IGAARN COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)cc1 ZINC000003048090 562932274 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CCOc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC ZINC000003334619 562934381 /nfs/dbraw/zinc/93/43/81/562934381.db2.gz YZGPETZTQCXLBW-UHFFFAOYSA-N 0 0 425.441 3.007 50 0 IGAARN Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1Cc1ccccc1 ZINC000003426091 562935618 /nfs/dbraw/zinc/93/56/18/562935618.db2.gz RJTNUIYAMZIMJS-UHFFFAOYSA-N 0 0 429.476 3.289 50 0 IGAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)NCCN1C(=O)CSC1=O ZINC000003534072 562936426 /nfs/dbraw/zinc/93/64/26/562936426.db2.gz KWSBCOKBNOZCAX-UHFFFAOYSA-N 0 0 438.534 3.201 50 0 IGAARN COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)o1 ZINC000003959091 562940070 /nfs/dbraw/zinc/94/00/70/562940070.db2.gz MXTLLOFVHXDPFC-UHFFFAOYSA-N 0 0 426.454 3.480 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1 ZINC000004110536 562941994 /nfs/dbraw/zinc/94/19/94/562941994.db2.gz CXJDRYJGBNHOHW-UHFFFAOYSA-N 0 0 437.949 3.021 50 0 IGAARN COc1ccc(-c2nc(CSCC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1OC ZINC000004110755 562942076 /nfs/dbraw/zinc/94/20/76/562942076.db2.gz FKRLONZUEAAFDF-UHFFFAOYSA-N 0 0 448.541 3.266 50 0 IGAARN COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 ZINC000006181882 562946426 /nfs/dbraw/zinc/94/64/26/562946426.db2.gz ZXUIHBQNPSDKNZ-FOCLMDBBSA-N 0 0 431.297 3.299 50 0 IGAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCn2ccnc2)ccc1Cl ZINC000006153407 562946305 /nfs/dbraw/zinc/94/63/05/562946305.db2.gz ZJSTVCJWWMQXEL-UHFFFAOYSA-N 0 0 432.933 3.182 50 0 IGAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c(O)c2c1 ZINC000006181460 562946421 /nfs/dbraw/zinc/94/64/21/562946421.db2.gz AFCBJIFFOSGURH-UHFFFAOYSA-N 0 0 425.510 3.310 50 0 IGAARN Cc1cccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1 ZINC000006442183 562946684 /nfs/dbraw/zinc/94/66/84/562946684.db2.gz MFWAFHMNZICKAQ-UHFFFAOYSA-N 0 0 441.578 3.494 50 0 IGAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000006878465 562948445 /nfs/dbraw/zinc/94/84/45/562948445.db2.gz WZKHVWIUYQNRIN-UHFFFAOYSA-N 0 0 430.559 3.283 50 0 aggregator IGAARN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1 ZINC000008587988 562950557 /nfs/dbraw/zinc/95/05/57/562950557.db2.gz IAWSRUAERHCSHH-QHCPKHFHSA-N 0 0 430.508 3.339 50 0 IGAARN Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 ZINC000008588038 562950577 /nfs/dbraw/zinc/95/05/77/562950577.db2.gz ORMAGRDHUIOUMC-CQSZACIVSA-N 0 0 432.527 3.078 50 0 IGAARN Cn1c2nc3n(c2c(=O)n(Cc2c(F)cccc2Cl)c1=O)CCN3c1ccc(F)cc1 ZINC000008588706 562950822 /nfs/dbraw/zinc/95/08/22/562950822.db2.gz MIMRZZJOCKTXKZ-UHFFFAOYSA-N 0 0 443.841 3.028 50 0 IGAARN CCCn1c2ccccc2c2cnn(CC(=O)N(CCCOC)Cc3ccco3)c(=O)c21 ZINC000008590945 562951955 /nfs/dbraw/zinc/95/19/55/562951955.db2.gz PYACXDAJHFTJEO-UHFFFAOYSA-N 0 0 436.512 3.420 50 0 IGAARN COc1ccccc1CNC(=O)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000008594321 562952995 /nfs/dbraw/zinc/95/29/95/562952995.db2.gz ZGEOSPQDQOWVCD-UHFFFAOYSA-N 0 0 425.452 3.355 50 0 IGAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008595629 562953560 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C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(Cl)cc3)N2C1=O ZINC000008609131 562957628 /nfs/dbraw/zinc/95/76/28/562957628.db2.gz CNJOHZRSUVGMDH-ZDUSSCGKSA-N 0 0 426.929 3.411 50 0 IGAARN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1)c1ccccc1 ZINC000008609390 562957857 /nfs/dbraw/zinc/95/78/57/562957857.db2.gz HZRNSRDNRIPUIS-SFHVURJKSA-N 0 0 439.581 3.499 50 0 IGAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCCC4)cc3oc2=O)c1 ZINC000008611458 562958568 /nfs/dbraw/zinc/95/85/68/562958568.db2.gz OCSPJJRCSZNYSG-UHFFFAOYSA-N 0 0 443.525 3.106 50 0 IGAARN COc1ccc(CCNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c(OC)c1OC ZINC000008619053 562959811 /nfs/dbraw/zinc/95/98/11/562959811.db2.gz YVBCYUVICQQGJG-HXUWFJFHSA-N 0 0 440.540 3.442 50 0 IGAARN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000008674055 562961358 /nfs/dbraw/zinc/96/13/58/562961358.db2.gz NZXIMIDAOOXTMM-HSZRJFAPSA-N 0 0 449.551 3.127 50 0 IGAARN Cc1ccccc1Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccco2)c1=O ZINC000008680359 562961521 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O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000056946341 563142895 /nfs/dbraw/zinc/14/28/95/563142895.db2.gz QNVNPRSAXBXPKI-OAQYLSRUSA-N 0 0 429.517 3.261 50 0 IGAARN O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056946288 563142938 /nfs/dbraw/zinc/14/29/38/563142938.db2.gz YKFQTXQQZYOFAE-OAQYLSRUSA-N 0 0 429.517 3.261 50 0 IGAARN CC(C)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057010953 563143017 /nfs/dbraw/zinc/14/30/17/563143017.db2.gz FSVLFPPPGQBSFJ-UHFFFAOYSA-N 0 0 445.567 3.292 50 0 IGAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 ZINC000018948245 568629006 /nfs/dbraw/zinc/62/90/06/568629006.db2.gz CENSBBASSYHHLD-UHFFFAOYSA-N 0 0 433.464 3.284 50 0 IGAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000019013268 568633189 /nfs/dbraw/zinc/63/31/89/568633189.db2.gz PGIXZSTZKPJWHO-UHFFFAOYSA-N 0 0 429.492 3.220 50 0 IGAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000000909753 568636615 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3.470 50 0 IGAARN Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(C)o1 ZINC000299760896 568755734 /nfs/dbraw/zinc/75/57/34/568755734.db2.gz RZYHIPRZJYPFJX-QHCPKHFHSA-N 0 0 435.568 3.483 50 0 IGAARN COc1ccccc1CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccccc2)CC3)CC1 ZINC000299768775 568756410 /nfs/dbraw/zinc/75/64/10/568756410.db2.gz KNYCYVHCFYJRHM-QHCPKHFHSA-N 0 0 447.579 3.282 50 0 IGAARN COc1ccc([C@H]2CCCN2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000015367238 568760759 /nfs/dbraw/zinc/76/07/59/568760759.db2.gz KZGULHLIBGYIAK-OAQYLSRUSA-N 0 0 440.540 3.443 50 0 IGAARN Cn1c2nnc(SCC(=O)Nc3ccccc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000001246386 568774957 /nfs/dbraw/zinc/77/49/57/568774957.db2.gz DMXLFJLTQVUUKD-UHFFFAOYSA-N 0 0 425.539 3.252 50 0 IGAARN Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1C ZINC000263615024 568775832 /nfs/dbraw/zinc/77/58/32/568775832.db2.gz AEIWENRUYDGPOP-QFIPXVFZSA-N 0 0 435.503 3.268 50 0 IGAARN COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)c(OC)c1 ZINC000263615358 568776117 /nfs/dbraw/zinc/77/61/17/568776117.db2.gz BZRFILDBSDLZGX-IBGZPJMESA-N 0 0 428.876 3.150 50 0 IGAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263618477 568777640 /nfs/dbraw/zinc/77/76/40/568777640.db2.gz TZVJDXRVFCNEBV-NRFANRHFSA-N 0 0 449.486 3.180 50 0 IGAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000025727486 568778634 /nfs/dbraw/zinc/77/86/34/568778634.db2.gz NZNQPZOLRWRMBR-UHFFFAOYSA-N 0 0 426.538 3.176 50 0 IGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171420 568782318 /nfs/dbraw/zinc/78/23/18/568782318.db2.gz KFBWCIFAXUWRNB-QRVBRYPASA-N 0 0 426.314 3.293 50 0 IGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3ccc(C)o3)cc21 ZINC000045913551 568783356 /nfs/dbraw/zinc/78/33/56/568783356.db2.gz UAXMDOWFVKUQOU-UHFFFAOYSA-N 0 0 427.320 3.128 50 0 IGAARN Cc1cc(N2C[C@@H](C(=O)N3CCc4ccc(O)cc4C3)CC2=O)ccc1Br ZINC000084086361 568791858 /nfs/dbraw/zinc/79/18/58/568791858.db2.gz 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O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cccs1 ZINC000084525667 568798583 /nfs/dbraw/zinc/79/85/83/568798583.db2.gz MUMVTLLLRLFQTI-FUHWJXTLSA-N 0 0 440.487 3.251 50 0 IGAARN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000084756424 568801070 /nfs/dbraw/zinc/80/10/70/568801070.db2.gz QIYLHZMQCKYECH-HKUYNNGSSA-N 0 0 436.394 3.351 50 0 IGAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000015677843 568805029 /nfs/dbraw/zinc/80/50/29/568805029.db2.gz GAJFKPLSGRLFKT-HXUWFJFHSA-N 0 0 445.585 3.185 50 0 IGAARN CC(=O)c1ccc(OCC(=O)NCCN2C(=O)SC(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000033473883 568807300 /nfs/dbraw/zinc/80/73/00/568807300.db2.gz HRUOCJVOAGJNHW-XDHOZWIPSA-N 0 0 442.468 3.260 50 0 IGAARN O=S(=O)(c1ccc(OCCSc2nccn2-c2ccccc2)cc1)N1CCOCC1 ZINC000025968427 568807499 /nfs/dbraw/zinc/80/74/99/568807499.db2.gz QLYLOFMVBPQMOQ-UHFFFAOYSA-N 0 0 445.566 3.064 50 0 IGAARN C[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1 ZINC000015734707 568816381 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50 0 IGAARN Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2=O)s1 ZINC000015771328 568822555 /nfs/dbraw/zinc/82/25/55/568822555.db2.gz VAAFLZCJSYMSRH-UHFFFAOYSA-N 0 0 434.477 3.377 50 0 IGAARN Cc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000015771456 568822563 /nfs/dbraw/zinc/82/25/63/568822563.db2.gz HKQYUKNPDDZHOR-UHFFFAOYSA-N 0 0 434.477 3.377 50 0 IGAARN COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)cc2)c1 ZINC000015772204 568822636 /nfs/dbraw/zinc/82/26/36/568822636.db2.gz HYYQUNXTVNDLBR-UHFFFAOYSA-N 0 0 433.420 3.214 50 0 IGAARN COc1ccccc1CNC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776456 568823776 /nfs/dbraw/zinc/82/37/76/568823776.db2.gz BJOUGTOYHVWNJZ-UHFFFAOYSA-N 0 0 434.475 3.133 50 0 IGAARN CCN(C(=O)CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21)c1ccccc1 ZINC000015776646 568823999 /nfs/dbraw/zinc/82/39/99/568823999.db2.gz JYFLVKPAVRRLSD-UHFFFAOYSA-N 0 0 444.495 3.451 50 0 IGAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000015781477 568825821 /nfs/dbraw/zinc/82/58/21/568825821.db2.gz RSEKGAYVUFESJP-UHFFFAOYSA-N 0 0 432.926 3.382 50 0 IGAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc21 ZINC000015784207 568826785 /nfs/dbraw/zinc/82/67/85/568826785.db2.gz DRYFHZGXWXGMKI-UHFFFAOYSA-N 0 0 439.581 3.328 50 0 IGAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)C2)o1 ZINC000085621507 568828242 /nfs/dbraw/zinc/82/82/42/568828242.db2.gz AVCJJLVKCHBHRR-QGZVFWFLSA-N 0 0 429.517 3.267 50 0 IGAARN Cc1onc2c1c(C)nn(CCCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)c2=O ZINC000085613735 568828256 /nfs/dbraw/zinc/82/82/56/568828256.db2.gz RIGOFSINYNRHDG-UHFFFAOYSA-N 0 0 443.935 3.092 50 0 IGAARN CC(C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000085643745 568829152 /nfs/dbraw/zinc/82/91/52/568829152.db2.gz JMANWPMGOZMJAC-UHFFFAOYSA-N 0 0 427.979 3.051 50 0 IGAARN CCc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(C)cc4)nn3ccn2c1=O ZINC000085643045 568829467 /nfs/dbraw/zinc/82/94/67/568829467.db2.gz XZKOIEKHJGGWLA-UHFFFAOYSA-N 0 0 426.480 3.320 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NC1CCCCCCC1 ZINC000085648491 568830599 /nfs/dbraw/zinc/83/05/99/568830599.db2.gz LDGGCSLSTPNXQW-UHFFFAOYSA-N 0 0 449.621 3.471 50 0 IGAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)c1C ZINC000085651897 568831616 /nfs/dbraw/zinc/83/16/16/568831616.db2.gz HEPYUFLLCBYURP-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN Cc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)cc1C ZINC000085651915 568831663 /nfs/dbraw/zinc/83/16/63/568831663.db2.gz UALMNOIAHHYWJV-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN CCOc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085654054 568832364 /nfs/dbraw/zinc/83/23/64/568832364.db2.gz AJWDBIOLGYSDPL-UHFFFAOYSA-N 0 0 432.524 3.292 50 0 IGAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cccc(SC)c2)C1=O ZINC000015827285 568840927 /nfs/dbraw/zinc/84/09/27/568840927.db2.gz UAPWKWVQGIXVPM-AWEZNQCLSA-N 0 0 433.555 3.459 50 0 IGAARN COc1ccc(-c2nc(Cn3c4ccccc4c(=O)n(C[C@H]4CCCO4)c3=O)c(C)o2)cc1 ZINC000015829325 568841269 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CS(=O)(=O)CC1(CSc2nnc(COc3ccc(Cl)cc3)o2)CCOCC1 ZINC000089484238 568926781 /nfs/dbraw/zinc/92/67/81/568926781.db2.gz QJDRYGIHAWZCFH-UHFFFAOYSA-N 0 0 432.951 3.236 50 0 IGAARN CNC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450928 568929089 /nfs/dbraw/zinc/92/90/89/568929089.db2.gz LENMLBOHTZMDHS-UHFFFAOYSA-N 0 0 443.552 3.413 50 0 IGAARN Cn1nc(COCc2ccccc2F)c2c1CCN(S(=O)(=O)Cc1ccccc1F)C2 ZINC000064566020 568932867 /nfs/dbraw/zinc/93/28/67/568932867.db2.gz LUAXKWLXYVCWKV-UHFFFAOYSA-N 0 0 447.507 3.303 50 0 IGAARN COc1cccc(CC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1 ZINC000064566134 568933051 /nfs/dbraw/zinc/93/30/51/568933051.db2.gz ZIYCTCDDBSNBOM-UHFFFAOYSA-N 0 0 447.470 3.412 50 0 IGAARN COc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1 ZINC000064566358 568933133 /nfs/dbraw/zinc/93/31/33/568933133.db2.gz VATVYSJCIIBHDQ-UHFFFAOYSA-N 0 0 429.480 3.268 50 0 IGAARN C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580555 568934475 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COc1cccc(CNC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)c1 ZINC000064971217 569076481 /nfs/dbraw/zinc/07/64/81/569076481.db2.gz WWWNFIFIDWTEPY-KRWDZBQOSA-N 0 0 431.496 3.085 50 0 IGAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)n2)cc1 ZINC000064977945 569077729 /nfs/dbraw/zinc/07/77/29/569077729.db2.gz KQXSQOKHTXOXTJ-UHFFFAOYSA-N 0 0 441.532 3.487 50 0 IGAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000064979483 569077776 /nfs/dbraw/zinc/07/77/76/569077776.db2.gz GXXOWXQEQUMQBS-UHFFFAOYSA-N 0 0 431.489 3.309 50 0 IGAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)cc1 ZINC000064977944 569077838 /nfs/dbraw/zinc/07/78/38/569077838.db2.gz HEIXNDDHIBWSRJ-UHFFFAOYSA-N 0 0 441.532 3.487 50 0 IGAARN CCc1nc(C)nc(N2CCN(C[C@H](O)COCC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340780 569078479 /nfs/dbraw/zinc/07/84/79/569078479.db2.gz XMMMMRPFJSIFCW-QFIPXVFZSA-N 0 0 444.595 3.233 50 0 IGAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C[C@@H](O)COC(C)(C)C)CC2)cc1 ZINC000036340499 569078881 /nfs/dbraw/zinc/07/88/81/569078881.db2.gz URVURBFCYVKGJY-JOCHJYFZSA-N 0 0 426.605 3.291 50 0 IGAARN CCc1nc(C)nc(N2CCN(C[C@H](O)COC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340614 569078891 /nfs/dbraw/zinc/07/88/91/569078891.db2.gz UUQRNWNHFPCTDU-QFIPXVFZSA-N 0 0 426.605 3.155 50 0 IGAARN COc1ccc(C2=NN(C(=O)CN3CCN(C)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341022 569079162 /nfs/dbraw/zinc/07/91/62/569079162.db2.gz CZPASMKJNYZZOP-QFIPXVFZSA-N 0 0 426.948 3.274 50 0 IGAARN COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCOCC2)c1 ZINC000036344370 569080114 /nfs/dbraw/zinc/08/01/14/569080114.db2.gz XHBHCDNAYPSNIK-HSZRJFAPSA-N 0 0 437.540 3.331 50 0 IGAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)o2)cc1 ZINC000064987814 569082533 /nfs/dbraw/zinc/08/25/33/569082533.db2.gz RBDJNEFYNDOYGZ-UHFFFAOYSA-N 0 0 435.889 3.087 50 0 IGAARN CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000064987614 569082679 /nfs/dbraw/zinc/08/26/79/569082679.db2.gz MTGJNBSUTSLZOJ-UHFFFAOYSA-N 0 0 432.402 3.427 50 0 IGAARN COc1ccc(NC(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c(OC)c1 ZINC000064991285 569083587 /nfs/dbraw/zinc/08/35/87/569083587.db2.gz MQJFYDSKCKSAJW-UHFFFAOYSA-N 0 0 431.449 3.268 50 0 IGAARN O=C(Nc1ccccc1F)c1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000064991755 569084761 /nfs/dbraw/zinc/08/47/61/569084761.db2.gz YOSYHTGVLFMQOV-UHFFFAOYSA-N 0 0 426.882 3.061 50 0 IGAARN CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3n2C)c1OC ZINC000036360331 569086285 /nfs/dbraw/zinc/08/62/85/569086285.db2.gz ZEWFUQIVYWCBPG-UHFFFAOYSA-N 0 0 435.459 3.338 50 0 IGAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C)o4)s3)CC2)cc1 ZINC000065003860 569086827 /nfs/dbraw/zinc/08/68/27/569086827.db2.gz BGAWMAXUJTWWQR-UHFFFAOYSA-N 0 0 431.539 3.425 50 0 IGAARN O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000065007145 569087646 /nfs/dbraw/zinc/08/76/46/569087646.db2.gz WEPCRVZXFHFALD-UHFFFAOYSA-N 0 0 448.545 3.051 50 0 IGAARN Cc1ccccc1CNc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nn1 ZINC000065009507 569088001 /nfs/dbraw/zinc/08/80/01/569088001.db2.gz TYZYHHSIRVBOAX-UHFFFAOYSA-N 0 0 438.553 3.393 50 0 IGAARN CC[C@H](C(=O)Nc1cc(F)ccc1F)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026795 569089947 /nfs/dbraw/zinc/08/99/47/569089947.db2.gz ACEFOCNMKOFRLY-QGZVFWFLSA-N 0 0 428.443 3.045 50 0 IGAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)Nc1ccc2c(c1)OCO2 ZINC000065025836 569090882 /nfs/dbraw/zinc/09/08/82/569090882.db2.gz OGJJTATYOSWHAS-UHFFFAOYSA-N 0 0 449.536 3.263 50 0 IGAARN O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)Nc1cc(F)ccc1F ZINC000065030753 569091380 /nfs/dbraw/zinc/09/13/80/569091380.db2.gz AGDNVHOXHAOAKX-UHFFFAOYSA-N 0 0 445.495 3.427 50 0 IGAARN Cc1cccc(CNC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1 ZINC000065030741 569091391 /nfs/dbraw/zinc/09/13/91/569091391.db2.gz LRPNKSOIFYKBSK-UHFFFAOYSA-N 0 0 437.569 3.135 50 0 IGAARN COC(=O)c1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2cc(Cl)ccc2n1 ZINC000065033418 569091696 /nfs/dbraw/zinc/09/16/96/569091696.db2.gz KCDXMMUFFRUWQU-UHFFFAOYSA-N 0 0 428.828 3.464 50 0 IGAARN COc1ccc(CNC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000065034826 569092004 /nfs/dbraw/zinc/09/20/04/569092004.db2.gz FVCFWMHZAHBSHK-UHFFFAOYSA-N 0 0 425.916 3.173 50 0 IGAARN O=c1c2ccc(Cl)cc2ncn1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000065034581 569092118 /nfs/dbraw/zinc/09/21/18/569092118.db2.gz PNAROCGMQUNYAG-UHFFFAOYSA-N 0 0 439.871 3.354 50 0 IGAARN Cc1nc(-c2cc(S(=O)(=O)NC(C)C)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036199 569092439 /nfs/dbraw/zinc/09/24/39/569092439.db2.gz FSDPCECXMZRCJY-UHFFFAOYSA-N 0 0 438.619 3.324 50 0 IGAARN CN1CCN(S(=O)(=O)c2ccc(SCc3cc(-c4cccs4)on3)nc2)CC1 ZINC000036386068 569092872 /nfs/dbraw/zinc/09/28/72/569092872.db2.gz IAVJYADGKDVTQD-UHFFFAOYSA-N 0 0 436.584 3.027 50 0 IGAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cccc(Cl)c1 ZINC000169752455 569093226 /nfs/dbraw/zinc/09/32/26/569093226.db2.gz SDRSFEKDJHSKMO-UHFFFAOYSA-N 0 0 426.835 3.087 50 0 IGAARN C[C@H](C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062408 569097664 /nfs/dbraw/zinc/09/76/64/569097664.db2.gz PBZWGXYEWNEAPF-LBPRGKRZSA-N 0 0 435.409 3.170 50 0 IGAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C3=C2C(=O)OC3)cc1 ZINC000169757953 569094175 /nfs/dbraw/zinc/09/41/75/569094175.db2.gz WERCKQBQWHLQCD-SBUREZEXSA-N 0 0 433.508 3.010 50 0 IGAARN COc1ccc(C)cc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O ZINC000169758061 569094297 /nfs/dbraw/zinc/09/42/97/569094297.db2.gz YGAQQVWRNSWLGH-HXUWFJFHSA-N 0 0 441.871 3.173 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000065059518 569096162 /nfs/dbraw/zinc/09/61/62/569096162.db2.gz WYQSHENHLJIAFM-QFIPXVFZSA-N 0 0 432.517 3.136 50 0 IGAARN C[C@@H](C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062410 569097675 /nfs/dbraw/zinc/09/76/75/569097675.db2.gz PBZWGXYEWNEAPF-GFCCVEGCSA-N 0 0 435.409 3.170 50 0 IGAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc12 ZINC000036391863 569098280 /nfs/dbraw/zinc/09/82/80/569098280.db2.gz KZWGURYCCNBPLI-UHFFFAOYSA-N 0 0 440.507 3.159 50 0 IGAARN NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC000036395016 569098737 /nfs/dbraw/zinc/09/87/37/569098737.db2.gz UJRPCZZRWXDHFV-UHFFFAOYSA-N 0 0 431.418 3.019 50 0 IGAARN Cc1cccc(OCc2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCC3)no2)c1 ZINC000065075981 569099197 /nfs/dbraw/zinc/09/91/97/569099197.db2.gz AXHVKJGFNTXEFL-UHFFFAOYSA-N 0 0 432.484 3.381 50 0 IGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccc(F)c(F)c1 ZINC000065077171 569100150 /nfs/dbraw/zinc/10/01/50/569100150.db2.gz CDDHLIPHNNRULC-UHFFFAOYSA-N 0 0 426.466 3.202 50 0 IGAARN C[C@H](CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077361 569100243 /nfs/dbraw/zinc/10/02/43/569100243.db2.gz FFZNRMYCIYDNKT-OAHLLOKOSA-N 0 0 444.578 3.258 50 0 IGAARN C[C@@H](CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077432 569100306 /nfs/dbraw/zinc/10/03/06/569100306.db2.gz WNPBDBPQSILZIG-ZDUSSCGKSA-N 0 0 436.530 3.129 50 0 IGAARN Cc1ccc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077616 569100338 /nfs/dbraw/zinc/10/03/38/569100338.db2.gz YQUOOEHQVZFLHG-OAHLLOKOSA-N 0 0 432.567 3.156 50 0 IGAARN COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078143 569100822 /nfs/dbraw/zinc/10/08/22/569100822.db2.gz AJYVEDZBFKHQID-ZDUSSCGKSA-N 0 0 434.539 3.178 50 0 IGAARN COc1ccc([C@H](NC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)C(C)C)cc1 ZINC000036397741 569100860 /nfs/dbraw/zinc/10/08/60/569100860.db2.gz UEIADKYAJDBOHC-XMMPIXPASA-N 0 0 447.620 3.152 50 0 IGAARN COc1ccc([C@@H](NC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)C(C)C)cc1 ZINC000036397740 569100876 /nfs/dbraw/zinc/10/08/76/569100876.db2.gz UEIADKYAJDBOHC-DEOSSOPVSA-N 0 0 447.620 3.152 50 0 IGAARN COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1OC ZINC000169775701 569101892 /nfs/dbraw/zinc/10/18/92/569101892.db2.gz XWNOJABLOMQTLL-UHFFFAOYSA-N 0 0 446.507 3.227 50 0 IGAARN COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1OC ZINC000169775944 569101909 /nfs/dbraw/zinc/10/19/09/569101909.db2.gz GCFFSZNRTULIBP-UHFFFAOYSA-N 0 0 446.507 3.227 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2ccncc2)CC1 ZINC000065082920 569102565 /nfs/dbraw/zinc/10/25/65/569102565.db2.gz KRTMHGLXZPVTPX-UHFFFAOYSA-N 0 0 448.527 3.297 50 0 IGAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000065097676 569104038 /nfs/dbraw/zinc/10/40/38/569104038.db2.gz NKHSHPASVYDMDX-UHFFFAOYSA-N 0 0 446.554 3.476 50 0 IGAARN CCCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000065101507 569105385 /nfs/dbraw/zinc/10/53/85/569105385.db2.gz IEHXNFQUCPWLPV-UHFFFAOYSA-N 0 0 444.894 3.287 50 0 IGAARN O=C(c1noc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc21)N1CCCCC1 ZINC000065115287 569106695 /nfs/dbraw/zinc/10/66/95/569106695.db2.gz BBAVETMXWMMGOE-UHFFFAOYSA-N 0 0 425.510 3.201 50 0 IGAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NC1CCCCCC1 ZINC000065116522 569107348 /nfs/dbraw/zinc/10/73/48/569107348.db2.gz QQPOSFDBWGZYEZ-UHFFFAOYSA-N 0 0 438.575 3.344 50 0 IGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2noc(-c3cccc(C)c3)n2)CC1 ZINC000065112042 569107928 /nfs/dbraw/zinc/10/79/28/569107928.db2.gz NASGLEUDZLOLNX-UHFFFAOYSA-N 0 0 441.509 3.400 50 0 IGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000065112139 569108103 /nfs/dbraw/zinc/10/81/03/569108103.db2.gz OBSQYIKSAVQVLQ-UHFFFAOYSA-N 0 0 445.472 3.231 50 0 IGAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)Cc3ccc(OC)cc3Cl)CC2)o1 ZINC000065117867 569108777 /nfs/dbraw/zinc/10/87/77/569108777.db2.gz XARIKAUWDGQAMD-UHFFFAOYSA-N 0 0 441.919 3.247 50 0 IGAARN Cc1nnc(-c2cccnc2N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000065117784 569108787 /nfs/dbraw/zinc/10/87/87/569108787.db2.gz VQUTZNWGNSISEU-UHFFFAOYSA-N 0 0 433.390 3.301 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000065131222 569109324 /nfs/dbraw/zinc/10/93/24/569109324.db2.gz MSZZTQNNZRELSU-UHFFFAOYSA-N 0 0 446.960 3.486 50 0 IGAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1ccccc1Cl ZINC000065131481 569109400 /nfs/dbraw/zinc/10/94/00/569109400.db2.gz OVQZFXVCTKGFDN-AWEZNQCLSA-N 0 0 445.976 3.356 50 0 IGAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)Nc1cccc(Cl)c1 ZINC000065131576 569109518 /nfs/dbraw/zinc/10/95/18/569109518.db2.gz ZOECOMFBAKNGGL-AWEZNQCLSA-N 0 0 445.976 3.356 50 0 IGAARN Cc1cccc(C)c1NC(=O)CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1 ZINC000065131621 569109607 /nfs/dbraw/zinc/10/96/07/569109607.db2.gz YFNVDCQFJFHFOP-KRWDZBQOSA-N 0 0 439.585 3.319 50 0 IGAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(F)c3)nn2)C1 ZINC000065132183 569109789 /nfs/dbraw/zinc/10/97/89/569109789.db2.gz ITGLJUDFECOEHP-HNNXBMFYSA-N 0 0 431.537 3.089 50 0 IGAARN Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)nc12 ZINC000065150790 569111502 /nfs/dbraw/zinc/11/15/02/569111502.db2.gz VMLVIWOTGKGUFR-UHFFFAOYSA-N 0 0 427.823 3.423 50 0 IGAARN Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CCc2cn(C)c3ncccc23)CC1 ZINC000065164783 569112753 /nfs/dbraw/zinc/11/27/53/569112753.db2.gz SOJPUDGSZIBFKD-UHFFFAOYSA-N 0 0 432.977 3.084 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O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nc[nH]n1 ZINC000253403258 569265058 /nfs/dbraw/zinc/26/50/58/569265058.db2.gz GZXXOSKVAKUQKS-FQEVSTJZSA-N 0 0 430.468 3.119 50 0 IGAARN O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCN(c2nsc3ccccc32)CC1 ZINC000253406143 569265362 /nfs/dbraw/zinc/26/53/62/569265362.db2.gz UFZPVXXDNUGICM-HNNXBMFYSA-N 0 0 444.944 3.475 50 0 IGAARN CC(C)COC1CCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000253419055 569266633 /nfs/dbraw/zinc/26/66/33/569266633.db2.gz HRESAJFDGPPYJN-HXUWFJFHSA-N 0 0 438.590 3.112 50 0 IGAARN COC(=O)c1cnccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000253430049 569267620 /nfs/dbraw/zinc/26/76/20/569267620.db2.gz DOQXYVBLHZRXJX-UHFFFAOYSA-N 0 0 431.514 3.074 50 0 IGAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCSCC1 ZINC000002308923 569272212 /nfs/dbraw/zinc/27/22/12/569272212.db2.gz CJVIKLRUZUNZPE-SNVBAGLBSA-N 0 0 426.336 3.093 50 0 IGAARN COC(=O)c1c(N)n(CCCOC(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002341667 569275217 /nfs/dbraw/zinc/27/52/17/569275217.db2.gz HGECOBNABUCLMV-UHFFFAOYSA-N 0 0 434.452 3.209 50 0 IGAARN COc1ccc(-c2c3c(cn2-c2ccc(OC)c(Cl)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000002343676 569275298 /nfs/dbraw/zinc/27/52/98/569275298.db2.gz PGUXTHVBLUPIQE-UHFFFAOYSA-N 0 0 425.872 3.366 50 0 IGAARN COc1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc(OC)c1OC ZINC000253470912 569282559 /nfs/dbraw/zinc/28/25/59/569282559.db2.gz AEUHPRISYHLCNL-AWEZNQCLSA-N 0 0 425.407 3.135 50 0 IGAARN COc1ccc(N2c3[nH]c(=O)n(C)c3[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000253471234 569282560 /nfs/dbraw/zinc/28/25/60/569282560.db2.gz OFYBIZNUENRYNQ-UZLBHIALSA-N 0 0 439.468 3.074 50 0 IGAARN CN1c2ccccc2N(CCNC(=O)c2cc(Br)ccc2Cl)S1(=O)=O ZINC000253473776 569282908 /nfs/dbraw/zinc/28/29/08/569282908.db2.gz YJYDHTGMOLATID-UHFFFAOYSA-N 0 0 444.738 3.034 50 0 IGAARN CC(=O)c1cn(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12 ZINC000253535975 569284161 /nfs/dbraw/zinc/28/41/61/569284161.db2.gz ZWGNPSHIQSNQIA-HXUWFJFHSA-N 0 0 432.480 3.141 50 0 IGAARN O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 ZINC000002374622 569289348 /nfs/dbraw/zinc/28/93/48/569289348.db2.gz IBRQAINZQFPGQE-SIFUEBAJSA-N 0 0 444.578 3.196 50 0 IGAARN CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000008873681 569291763 /nfs/dbraw/zinc/29/17/63/569291763.db2.gz YRXBNIRWFMHAMS-UHFFFAOYSA-N 0 0 447.553 3.075 50 0 IGAARN CCn1c(COC(=O)/C=C/c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009963860 569298710 /nfs/dbraw/zinc/29/87/10/569298710.db2.gz ITUIPSSLHRCBNC-KPKJPENVSA-N 0 0 431.489 3.202 50 0 IGAARN Cc1nc2sc([C@@H](c3cccs3)[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([O-])n2n1 ZINC000225423011 569299750 /nfs/dbraw/zinc/29/97/50/569299750.db2.gz VAASRWIMSKUICU-QWQRMKEZSA-N 0 0 439.566 3.237 50 0 IGAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1OC ZINC000002415555 569301405 /nfs/dbraw/zinc/30/14/05/569301405.db2.gz CMBLGDDXNHYBPQ-LJQANCHMSA-N 0 0 443.422 3.171 50 0 IGAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012937633 569305104 /nfs/dbraw/zinc/30/51/04/569305104.db2.gz QPIMPWVHLMGXNM-AWEZNQCLSA-N 0 0 444.481 3.047 50 0 IGAARN COc1ccc(S(=O)(=O)CC(=O)N=c2sc3ccc4ccccc4c3n2C)cc1 ZINC000013036549 569307460 /nfs/dbraw/zinc/30/74/60/569307460.db2.gz PZNGTEQSMOMJIN-QURGRASLSA-N 0 0 426.519 3.303 50 0 IGAARN CCn1c2ccccc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013037160 569307607 /nfs/dbraw/zinc/30/76/07/569307607.db2.gz DOZHFSZHCHWNTO-XTQSDGFTSA-N 0 0 447.557 3.390 50 0 IGAARN CCc1nn2c(nc(COc3ccc(NC(=O)COc4ccccc4)cc3)cc2=O)s1 ZINC000013368146 569314495 /nfs/dbraw/zinc/31/44/95/569314495.db2.gz LNYLRJUENSHEQZ-UHFFFAOYSA-N 0 0 436.493 3.310 50 0 IGAARN O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)C12CC3CC(CC(C3)C1)C2 ZINC000013370252 569314960 /nfs/dbraw/zinc/31/49/60/569314960.db2.gz QVCADFKTXPOBJD-UHFFFAOYSA-N 0 0 444.582 3.444 50 0 IGAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)ccc21 ZINC000328589314 569316712 /nfs/dbraw/zinc/31/67/12/569316712.db2.gz BRWDDWYTBHXTOI-UHFFFAOYSA-N 0 0 432.395 3.341 50 0 IGAARN O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000328596684 569317997 /nfs/dbraw/zinc/31/79/97/569317997.db2.gz PQMDLDOBKADQMG-UHFFFAOYSA-N 0 0 442.378 3.337 50 0 IGAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCc1nnc(-c2ccc(Br)s2)o1 ZINC000019357149 569318856 /nfs/dbraw/zinc/31/88/56/569318856.db2.gz GIKKXHHFWPXFSH-JTQLQIEISA-N 0 0 436.287 3.422 50 0 IGAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccc(N4CCCC4)cc3C)c(=O)c21 ZINC000019432519 569319470 /nfs/dbraw/zinc/31/94/70/569319470.db2.gz FNUKCDLLPRBDSW-UHFFFAOYSA-N 0 0 438.484 3.022 50 0 IGAARN O=C(NC[C@@H]1CCC[C@H](O)C1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000078875042 569319589 /nfs/dbraw/zinc/31/95/89/569319589.db2.gz GDRBDZDSRQWGBC-CJNGLKHVSA-N 0 0 449.400 3.061 50 0 IGAARN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000078875079 569319686 /nfs/dbraw/zinc/31/96/86/569319686.db2.gz LMQRJPPPXLHXIQ-CYBMUJFWSA-N 0 0 445.932 3.416 50 0 IGAARN CO[C@H](C)c1noc(CN2CCCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000079022037 569322563 /nfs/dbraw/zinc/32/25/63/569322563.db2.gz XQPQMHNLBLPURM-OAHLLOKOSA-N 0 0 436.940 3.300 50 0 IGAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000079023596 569322699 /nfs/dbraw/zinc/32/26/99/569322699.db2.gz YCXRVBTYMNCURC-HZPDHXFCSA-N 0 0 432.546 3.168 50 0 IGAARN CNC(=O)c1cc(Oc2cccc(OCC(=O)NCCc3ccc(F)cc3)c2C)ccn1 ZINC000079048291 569323221 /nfs/dbraw/zinc/32/32/21/569323221.db2.gz FCTDLVLBTYVGGT-UHFFFAOYSA-N 0 0 437.471 3.419 50 0 IGAARN COc1ccc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc1S(=O)(=O)NC1CC1 ZINC000079066633 569324270 /nfs/dbraw/zinc/32/42/70/569324270.db2.gz RXUPKDMHNOWJRS-OALUTQOASA-N 0 0 448.585 3.280 50 0 IGAARN COC(=O)c1ccc(CCN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1 ZINC000079072620 569324582 /nfs/dbraw/zinc/32/45/82/569324582.db2.gz CJWMUZJLSDIGGX-HXUWFJFHSA-N 0 0 431.286 3.245 50 0 IGAARN O=C(c1[nH]nc(C2CC2)c1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000079074499 569324712 /nfs/dbraw/zinc/32/47/12/569324712.db2.gz BPRRRMOJBOQGSN-UHFFFAOYSA-N 0 0 444.944 3.240 50 0 IGAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000019797342 569329642 /nfs/dbraw/zinc/32/96/42/569329642.db2.gz YMSLDYFBNAIZKQ-NRFANRHFSA-N 0 0 448.541 3.331 50 0 IGAARN Cc1cc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cccs2)c2cccnc2)ccc1F ZINC000019797367 569329670 /nfs/dbraw/zinc/32/96/70/569329670.db2.gz PYSCWMWCZNPIHS-QGZVFWFLSA-N 0 0 440.543 3.084 50 0 IGAARN CCCCN1CCn2c(nc3cc(NC(=O)Cn4nc(C)c5ccccc5c4=O)ccc32)C1 ZINC000019855408 569330610 /nfs/dbraw/zinc/33/06/10/569330610.db2.gz GJGUSPZSTRBVIR-UHFFFAOYSA-N 0 0 444.539 3.309 50 0 IGAARN COc1ccccc1CNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000019869018 569331325 /nfs/dbraw/zinc/33/13/25/569331325.db2.gz CLMTZBYHKRBINZ-UHFFFAOYSA-N 0 0 426.469 3.326 50 0 IGAARN CS(=O)(=O)c1ccc(CCC(=O)NCC(O)(c2cccs2)c2cccs2)cc1 ZINC000390827204 569353935 /nfs/dbraw/zinc/35/39/35/569353935.db2.gz FPSGDZDJTXRIPA-UHFFFAOYSA-N 0 0 435.592 3.198 50 0 IGAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000020216012 569356693 /nfs/dbraw/zinc/35/66/93/569356693.db2.gz ZCMCOIKDSVKAGV-QGZVFWFLSA-N 0 0 430.530 3.178 50 0 IGAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000020239549 569357581 /nfs/dbraw/zinc/35/75/81/569357581.db2.gz RQUSMKBGLBNLRS-KXPUMZMLSA-N 0 0 447.557 3.406 50 0 IGAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S@]3=O)cc1 ZINC000020243363 569358271 /nfs/dbraw/zinc/35/82/71/569358271.db2.gz WEOTZIDOKFNHOI-HKBQPEDESA-N 0 0 434.517 3.280 50 0 IGAARN Cc1cccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C ZINC000020284316 569358957 /nfs/dbraw/zinc/35/89/57/569358957.db2.gz QVDUMVAPWXJBBL-GOSISDBHSA-N 0 0 445.541 3.080 50 0 IGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000020328279 569360649 /nfs/dbraw/zinc/36/06/49/569360649.db2.gz ILDFEMDNXIUEIC-OAQYLSRUSA-N 0 0 442.537 3.455 50 0 IGAARN NS(=O)(=O)c1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc1 ZINC000020330016 569360721 /nfs/dbraw/zinc/36/07/21/569360721.db2.gz RFIROENBZUURMX-UHFFFAOYSA-N 0 0 429.889 3.240 50 0 IGAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1 ZINC000020353563 569361073 /nfs/dbraw/zinc/36/10/73/569361073.db2.gz CPQOTQYBQIIRAR-UHFFFAOYSA-N 0 0 434.883 3.456 50 0 IGAARN CCc1c(C(=O)N2CCC(c3ccnn3CCO)CC2)cnn1-c1cccc(Cl)c1 ZINC000095444570 569367055 /nfs/dbraw/zinc/36/70/55/569367055.db2.gz MFIMPLDZUGEIPN-UHFFFAOYSA-N 0 0 427.936 3.297 50 0 IGAARN CC(C)CCNS(=O)(=O)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000095446194 569367347 /nfs/dbraw/zinc/36/73/47/569367347.db2.gz RTVIOQSUXQHPFZ-UHFFFAOYSA-N 0 0 429.424 3.260 50 0 IGAARN O=C(NCCc1nc2ccccc2[nH]1)c1ccnc(Cl)c1I ZINC000095448595 569367608 /nfs/dbraw/zinc/36/76/08/569367608.db2.gz NKKIQQJOOKHJSE-UHFFFAOYSA-N 0 0 426.645 3.188 50 0 IGAARN CN(CCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000095455570 569368503 /nfs/dbraw/zinc/36/85/03/569368503.db2.gz PXXMRTDKHZUYCG-UHFFFAOYSA-N 0 0 431.577 3.231 50 0 IGAARN C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000095455451 569368516 /nfs/dbraw/zinc/36/85/16/569368516.db2.gz WWWBEYALQBFSRS-STQMWFEESA-N 0 0 435.373 3.030 50 0 IGAARN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000095459081 569369314 /nfs/dbraw/zinc/36/93/14/569369314.db2.gz STNLGOZDVNODNK-QRWLVFNGSA-N 0 0 434.558 3.278 50 0 IGAARN COc1cc(C(=O)Nc2csc(-c3ccccn3)n2)ccc1OCC(=O)NC(C)C ZINC000095468142 569371222 /nfs/dbraw/zinc/37/12/22/569371222.db2.gz CWIGUFFZXOCULY-UHFFFAOYSA-N 0 0 426.498 3.369 50 0 IGAARN O=C(NC[C@@H]1Cc2ccccc21)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000095468993 569371427 /nfs/dbraw/zinc/37/14/27/569371427.db2.gz BWBDJDYIJNZFIW-PZJWPPBQSA-N 0 0 438.574 3.320 50 0 IGAARN COc1ccc(CCC2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000095469847 569371661 /nfs/dbraw/zinc/37/16/61/569371661.db2.gz BTUYTSWMDVUEAK-VXKWHMMOSA-N 0 0 426.557 3.432 50 0 IGAARN COc1cn(CC(=O)NCCC2=CCCCC2)c(CN2CCc3ccccc3C2)cc1=O ZINC000095472574 569372115 /nfs/dbraw/zinc/37/21/15/569372115.db2.gz GCHKOMKWIRXIOS-UHFFFAOYSA-N 0 0 435.568 3.422 50 0 IGAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000095472754 569372184 /nfs/dbraw/zinc/37/21/84/569372184.db2.gz KMNZXAUZCZPVRQ-IBGZPJMESA-N 0 0 438.915 3.169 50 0 IGAARN O=C(NCCn1ccc2ccc(Br)cc21)c1cc(-n2cnnn2)ccc1Cl ZINC000095472094 569372205 /nfs/dbraw/zinc/37/22/05/569372205.db2.gz SLRVYYMXTSMRDR-UHFFFAOYSA-N 0 0 445.708 3.463 50 0 IGAARN COC(=O)C[C@H](c1cnn2cccnc12)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095479420 569373684 /nfs/dbraw/zinc/37/36/84/569373684.db2.gz VBALDIHXFOYZEA-MRXNPFEDSA-N 0 0 437.477 3.375 50 0 IGAARN COc1ccc2c(C)c(CC(=O)NCCCc3nc4ccccc4[nH]3)c(=O)oc2c1OC ZINC000095537781 569374611 /nfs/dbraw/zinc/37/46/11/569374611.db2.gz IPXUKTNKYCSCTF-UHFFFAOYSA-N 0 0 435.480 3.286 50 0 IGAARN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccccc1 ZINC000095903337 569375095 /nfs/dbraw/zinc/37/50/95/569375095.db2.gz IRGMEZVYFZTDHY-PXDATVDWSA-N 0 0 439.575 3.336 50 0 IGAARN CCOc1cc(Br)c(CC(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)cc1OCC ZINC000095964423 569377228 /nfs/dbraw/zinc/37/72/28/569377228.db2.gz GBFHOZHGFZBSSJ-KGLIPLIRSA-N 0 0 449.363 3.298 50 0 IGAARN Cn1nnc2cc(C(=O)N3C[C@H](NC(=O)OC(C)(C)C)CC[C@H]3C(F)(F)F)ccc21 ZINC000095993581 569378406 /nfs/dbraw/zinc/37/84/06/569378406.db2.gz GGBPRONTRYDGLL-DOMZBBRYSA-N 0 0 427.427 3.029 50 0 IGAARN CC(C)S(=O)(=O)c1ccc(CC(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000096004902 569379339 /nfs/dbraw/zinc/37/93/39/569379339.db2.gz XEGLQHPBELEFGW-OAQYLSRUSA-N 0 0 443.565 3.046 50 0 IGAARN Cc1noc(-c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c(Cl)c2)n1 ZINC000096006636 569379472 /nfs/dbraw/zinc/37/94/72/569379472.db2.gz LAEDMZBNNVZSIN-NRFANRHFSA-N 0 0 439.859 3.104 50 0 IGAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096011775 569379886 /nfs/dbraw/zinc/37/98/86/569379886.db2.gz HKDKVVUREVGBHK-HZPDHXFCSA-N 0 0 442.516 3.458 50 0 IGAARN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000096024410 569380543 /nfs/dbraw/zinc/38/05/43/569380543.db2.gz RCSKDLSNIGDNER-UHFFFAOYSA-N 0 0 426.498 3.387 50 0 IGAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4ncn(CC(C)C)c(=O)c4c3)ccc12 ZINC000096115145 569383173 /nfs/dbraw/zinc/38/31/73/569383173.db2.gz RUCWYHFHWQAZEZ-UHFFFAOYSA-N 0 0 433.464 3.485 50 0 IGAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000096117831 569384200 /nfs/dbraw/zinc/38/42/00/569384200.db2.gz KTYLDDLERDCMNP-KSSFIOAISA-N 0 0 441.557 3.383 50 0 IGAARN CSCC[C@H](NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1)c1nnc2ccccn21 ZINC000096117979 569384385 /nfs/dbraw/zinc/38/43/85/569384385.db2.gz KWXMPPZPOWBXAT-KRWDZBQOSA-N 0 0 436.545 3.188 50 0 IGAARN CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000096120331 569384921 /nfs/dbraw/zinc/38/49/21/569384921.db2.gz CFMICBFHNXQGGP-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/45/88/52/569458852.db2.gz CSWAHXXZCGDQMI-UHFFFAOYSA-N 0 0 429.513 3.307 50 0 IGAARN COc1ccc(CNC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)cc1OC ZINC000032094020 569459772 /nfs/dbraw/zinc/45/97/72/569459772.db2.gz QBVQRQNIDPJLNL-UHFFFAOYSA-N 0 0 445.475 3.342 50 0 IGAARN O=C(c1cc(-n2cnnn2)ccc1Br)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000032102087 569460112 /nfs/dbraw/zinc/46/01/12/569460112.db2.gz KLVCNYFVMLAWHN-UHFFFAOYSA-N 0 0 447.724 3.041 50 0 IGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000032124123 569460385 /nfs/dbraw/zinc/46/03/85/569460385.db2.gz IIIUYNBCEOAZJZ-NRFANRHFSA-N 0 0 436.468 3.393 50 0 IGAARN O=S(=O)(CCn1cnc2ccccc21)NCc1cccnc1Oc1cccc(F)c1 ZINC000032437818 569461672 /nfs/dbraw/zinc/46/16/72/569461672.db2.gz FTMIBGMERVHTCF-UHFFFAOYSA-N 0 0 426.473 3.482 50 0 IGAARN COc1cc2c(cc1NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)oc1ccccc12 ZINC000032450086 569461752 /nfs/dbraw/zinc/46/17/52/569461752.db2.gz NDVPXJGOLMOOHP-UHFFFAOYSA-N 0 0 436.445 3.378 50 0 IGAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)cc1 ZINC000032456837 569461776 /nfs/dbraw/zinc/46/17/76/569461776.db2.gz LXMPGXKRFRHURO-NHCUHLMSSA-N 0 0 441.528 3.302 50 0 IGAARN Cn1cccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccs5)n4n3)c2)c1=O ZINC000038585900 569464195 /nfs/dbraw/zinc/46/41/95/569464195.db2.gz NVRUFLIUSYESRG-UHFFFAOYSA-N 0 0 428.477 3.471 50 0 IGAARN O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1ccccc1F ZINC000067197295 569464378 /nfs/dbraw/zinc/46/43/78/569464378.db2.gz ZBIXUUHMBQXINR-UHFFFAOYSA-N 0 0 442.248 3.098 50 0 IGAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)NCc1ccc(F)cc1 ZINC000067208518 569464715 /nfs/dbraw/zinc/46/47/15/569464715.db2.gz UPSFGAGYBHRPRX-UHFFFAOYSA-N 0 0 427.439 3.167 50 0 IGAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)cc1F ZINC000067208640 569464755 /nfs/dbraw/zinc/46/47/55/569464755.db2.gz DHLSZHNZTZXNLS-UHFFFAOYSA-N 0 0 443.438 3.498 50 0 IGAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1C ZINC000067218465 569464989 /nfs/dbraw/zinc/46/49/89/569464989.db2.gz ZBNTWVXSBIFVKV-UHFFFAOYSA-N 0 0 449.488 3.198 50 0 IGAARN Cc1cc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238177 569465580 /nfs/dbraw/zinc/46/55/80/569465580.db2.gz BHCZKOSLODFJKW-UHFFFAOYSA-N 0 0 442.541 3.216 50 0 IGAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000067239104 569465639 /nfs/dbraw/zinc/46/56/39/569465639.db2.gz DZQQMZCZARYPCO-ZDUSSCGKSA-N 0 0 428.514 3.141 50 0 IGAARN Cc1cc(C)n(CC(=O)Nc2ccc(N(C)C)cc2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000067255180 569466019 /nfs/dbraw/zinc/46/60/19/569466019.db2.gz FIESNHSLHFSERW-UHFFFAOYSA-N 0 0 439.537 3.003 50 0 IGAARN COC(=O)c1ccccc1NC(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O ZINC000067289454 569467499 /nfs/dbraw/zinc/46/74/99/569467499.db2.gz OJWUOGSRJHUPNR-UHFFFAOYSA-N 0 0 444.447 3.299 50 0 IGAARN CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000067291011 569467658 /nfs/dbraw/zinc/46/76/58/569467658.db2.gz LWWJNDGWFDTVNW-UHFFFAOYSA-N 0 0 439.537 3.428 50 0 IGAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1cccc(Br)c1 ZINC000067299410 569468167 /nfs/dbraw/zinc/46/81/67/569468167.db2.gz VZZLPPPYRMYSRR-UHFFFAOYSA-N 0 0 435.347 3.224 50 0 IGAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(Cl)cc1 ZINC000067300676 569468203 /nfs/dbraw/zinc/46/82/03/569468203.db2.gz PUHDURVJZWRQLC-UHFFFAOYSA-N 0 0 441.915 3.363 50 0 IGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1CCO ZINC000067316595 569468390 /nfs/dbraw/zinc/46/83/90/569468390.db2.gz LDNJTJFXZOPRCE-HNNXBMFYSA-N 0 0 425.916 3.284 50 0 IGAARN COc1cccc(CNC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 ZINC000067320043 569468554 /nfs/dbraw/zinc/46/85/54/569468554.db2.gz MGLRCABVHUSHQL-UHFFFAOYSA-N 0 0 428.558 3.209 50 0 IGAARN COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000067322757 569468712 /nfs/dbraw/zinc/46/87/12/569468712.db2.gz VESHTHJFTBTZMN-UHFFFAOYSA-N 0 0 441.875 3.226 50 0 IGAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(C)cc4C)CC3)nc2N)cc1 ZINC000067336539 569468959 /nfs/dbraw/zinc/46/89/59/569468959.db2.gz GTSHWVZWJOIJIZ-UHFFFAOYSA-N 0 0 432.528 3.263 50 0 IGAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3O)cc2C)cc1 ZINC000067339130 569469017 /nfs/dbraw/zinc/46/90/17/569469017.db2.gz ZONUHVGTMYMEEA-YADHBBJMSA-N 0 0 446.569 3.204 50 0 IGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038904644 569469376 /nfs/dbraw/zinc/46/93/76/569469376.db2.gz KVWHELHXDSMAGP-UHFFFAOYSA-N 0 0 447.470 3.382 50 0 IGAARN CN(CC(=O)OCc1coc(-c2cccs2)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008630965 569469541 /nfs/dbraw/zinc/46/95/41/569469541.db2.gz APANZDBGEOFRLT-UHFFFAOYSA-N 0 0 426.903 3.420 50 0 IGAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000008661185 569469809 /nfs/dbraw/zinc/46/98/09/569469809.db2.gz DBVUPHCBCCWOIN-ZRGWGRIASA-N 0 0 434.558 3.317 50 0 IGAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c2c1=O ZINC000008660924 569469821 /nfs/dbraw/zinc/46/98/21/569469821.db2.gz AAIBZDKHDQTVNW-UHFFFAOYSA-N 0 0 430.505 3.335 50 0 IGAARN CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 ZINC000008661530 569469876 /nfs/dbraw/zinc/46/98/76/569469876.db2.gz SAIYHBHAPHPRQT-UHFFFAOYSA-N 0 0 435.409 3.170 50 0 IGAARN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1Cc1ccccc1 ZINC000008703970 569470263 /nfs/dbraw/zinc/47/02/63/569470263.db2.gz UIOFLXQFCJSBML-MRXNPFEDSA-N 0 0 433.541 3.185 50 0 IGAARN Cc1cccc(NC(=O)CNC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1C ZINC000008704839 569470376 /nfs/dbraw/zinc/47/03/76/569470376.db2.gz NAORPANSSLUIMJ-UHFFFAOYSA-N 0 0 433.295 3.075 50 0 IGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1-c1ccccc1F ZINC000008706924 569470548 /nfs/dbraw/zinc/47/05/48/569470548.db2.gz RNQJIBQFHYMUHH-UHFFFAOYSA-N 0 0 433.896 3.249 50 0 IGAARN COc1ccccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008706655 569470576 /nfs/dbraw/zinc/47/05/76/569470576.db2.gz JZXBNBNRPPHCJM-UHFFFAOYSA-N 0 0 428.485 3.494 50 0 IGAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008718211 569471241 /nfs/dbraw/zinc/47/12/41/569471241.db2.gz FOTSOGSLQRXMDW-UHFFFAOYSA-N 0 0 429.929 3.277 50 0 IGAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c1C ZINC000008723973 569471949 /nfs/dbraw/zinc/47/19/49/569471949.db2.gz KXWOXVPEZBVGFE-OAHLLOKOSA-N 0 0 435.571 3.377 50 0 IGAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008725991 569472213 /nfs/dbraw/zinc/47/22/13/569472213.db2.gz YZLSUFXEQBMYIS-UHFFFAOYSA-N 0 0 437.525 3.323 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000008726517 569472293 /nfs/dbraw/zinc/47/22/93/569472293.db2.gz HKPJVWDGMWAWJN-MRXNPFEDSA-N 0 0 431.558 3.095 50 0 IGAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000008735976 569472720 /nfs/dbraw/zinc/47/27/20/569472720.db2.gz MUHPZIADUHGWTN-GFCCVEGCSA-N 0 0 435.600 3.489 50 0 IGAARN COc1cccc(OC[C@H](O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000008754159 569473831 /nfs/dbraw/zinc/47/38/31/569473831.db2.gz QUCZBXCPUUQXCZ-GOSISDBHSA-N 0 0 443.521 3.339 50 0 IGAARN COc1ccc(C2=NN(C(=O)Cn3cnc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000008762585 569474354 /nfs/dbraw/zinc/47/43/54/569474354.db2.gz OAZFNPGZUYNBRQ-NRFANRHFSA-N 0 0 428.448 3.376 50 0 IGAARN Cc1cc(=O)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)nn1-c1ccccc1 ZINC000008774353 569475319 /nfs/dbraw/zinc/47/53/19/569475319.db2.gz XJNDRLJNRRHVIA-UHFFFAOYSA-N 0 0 447.520 3.240 50 0 IGAARN Cc1nn(CCOc2ccccc2)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000008781574 569475654 /nfs/dbraw/zinc/47/56/54/569475654.db2.gz XEPBXLDDWZVMEY-UHFFFAOYSA-N 0 0 427.814 3.399 50 0 IGAARN CC1(C)CCc2c(cc(OCC(=O)NCc3ccncc3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008791434 569476231 /nfs/dbraw/zinc/47/62/31/569476231.db2.gz VQXUTTYMYGEHPK-UHFFFAOYSA-N 0 0 434.492 3.476 50 0 IGAARN CC(C)Sc1nc2c(cnn2CCNC(=O)Cc2ccc(F)cc2)c(N2CCCC2)n1 ZINC000008797766 569476405 /nfs/dbraw/zinc/47/64/05/569476405.db2.gz AFDMPFHASFALTF-UHFFFAOYSA-N 0 0 442.564 3.425 50 0 IGAARN COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc32)c(OC)c1 ZINC000008808482 569476436 /nfs/dbraw/zinc/47/64/36/569476436.db2.gz OEFVYYUVOYLAFN-UHFFFAOYSA-N 0 0 431.514 3.099 50 0 IGAARN CCOc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000008825094 569477291 /nfs/dbraw/zinc/47/72/91/569477291.db2.gz IWKRXWFJPIQBFF-YBEGLDIGSA-N 0 0 430.844 3.388 50 0 IGAARN CN(C(=O)c1ccccc1Oc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008825449 569477421 /nfs/dbraw/zinc/47/74/21/569477421.db2.gz VZVGDKSNLRPLFT-UHFFFAOYSA-N 0 0 442.475 3.236 50 0 IGAARN COc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008828067 569477771 /nfs/dbraw/zinc/47/77/71/569477771.db2.gz VANIDXCDVLKKIF-DLBZAZTESA-N 0 0 437.315 3.070 50 0 IGAARN CN(C)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1 ZINC000008834047 569477878 /nfs/dbraw/zinc/47/78/78/569477878.db2.gz CXGKEPIQIFUSGP-UHFFFAOYSA-N 0 0 430.555 3.399 50 0 IGAARN O=C(CN1C(=O)c2ccccc2O[C@@H](c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000008867303 569480278 /nfs/dbraw/zinc/48/02/78/569480278.db2.gz GKUYXGHCYCEBKG-QHCPKHFHSA-N 0 0 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Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1C ZINC000039983284 569482268 /nfs/dbraw/zinc/48/22/68/569482268.db2.gz LQMJPBBANVWOIG-UHFFFAOYSA-N 0 0 435.977 3.074 50 0 IGAARN CC(=O)NCc1ccc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039984925 569482321 /nfs/dbraw/zinc/48/23/21/569482321.db2.gz NMUIPLXCKOTJPJ-UHFFFAOYSA-N 0 0 442.563 3.375 50 0 IGAARN COc1ccc(Cl)cc1COC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000039996302 569482397 /nfs/dbraw/zinc/48/23/97/569482397.db2.gz JWEQKXAKDCBSEF-MRXNPFEDSA-N 0 0 434.901 3.005 50 0 IGAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cnc(C)cn1 ZINC000008881423 569482897 /nfs/dbraw/zinc/48/28/97/569482897.db2.gz JZSNVZNRLMAVIV-UHFFFAOYSA-N 0 0 425.466 3.486 50 0 IGAARN O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)NCCc1ccccc1 ZINC000008883543 569483046 /nfs/dbraw/zinc/48/30/46/569483046.db2.gz FOFMAPMFGASNIO-UHFFFAOYSA-N 0 0 444.487 3.118 50 0 IGAARN NC(=O)CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1cccs1 ZINC000040039750 569483340 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442.541 3.250 50 0 IGAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCCCC1)cn2C ZINC000009724905 569563754 /nfs/dbraw/zinc/56/37/54/569563754.db2.gz IHQQMFLUZCQUIP-UHFFFAOYSA-N 0 0 445.585 3.118 50 0 IGAARN NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)C1 ZINC000009726683 569563929 /nfs/dbraw/zinc/56/39/29/569563929.db2.gz NCUIAXPNQAUUSG-OAQYLSRUSA-N 0 0 443.551 3.164 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2ccc(SC)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000009727220 569563984 /nfs/dbraw/zinc/56/39/84/569563984.db2.gz LIVMKSPVLNGVJL-IBGZPJMESA-N 0 0 426.494 3.437 50 0 IGAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009728258 569564095 /nfs/dbraw/zinc/56/40/95/569564095.db2.gz ZHQZNVPWKZQILP-ZJSXRUAMSA-N 0 0 447.516 3.184 50 0 IGAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[C@H](c1cccs1)c1ccccc1 ZINC000009728249 569564112 /nfs/dbraw/zinc/56/41/12/569564112.db2.gz ZHQZNVPWKZQILP-URXFXBBRSA-N 0 0 447.516 3.184 50 0 IGAARN Cc1nc2ccccc2n1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009728919 569564228 /nfs/dbraw/zinc/56/42/28/569564228.db2.gz QYTHDYDYNKISFA-UHFFFAOYSA-N 0 0 446.960 3.213 50 0 IGAARN O=C(CSc1nnnn1C1CCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009730126 569564340 /nfs/dbraw/zinc/56/43/40/569564340.db2.gz LVLKNBIIVUAOHT-KRWDZBQOSA-N 0 0 429.546 3.405 50 0 IGAARN O=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009731619 569564607 /nfs/dbraw/zinc/56/46/07/569564607.db2.gz YDQZDIIQOCCQNB-UHFFFAOYSA-N 0 0 440.569 3.421 50 0 IGAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)CN(C)c3nc4c(cccc4OC)s3)nc21 ZINC000070973439 569565762 /nfs/dbraw/zinc/56/57/62/569565762.db2.gz RCEYEUOUJCDWOW-LLVKDONJSA-N 0 0 446.554 3.429 50 0 IGAARN Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c1 ZINC000009747189 569565869 /nfs/dbraw/zinc/56/58/69/569565869.db2.gz DLFAZDALRHOGGR-QGZVFWFLSA-N 0 0 449.598 3.053 50 0 IGAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c(OC)c1 ZINC000009761437 569566253 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CSc1cccc(NC(=O)Cc2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)c1 ZINC000009860528 569571807 /nfs/dbraw/zinc/57/18/07/569571807.db2.gz BJTCETUZZUTUHA-ZWKOTPCHSA-N 0 0 447.607 3.270 50 0 IGAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2cccc(I)c2)on1 ZINC000009871496 569572386 /nfs/dbraw/zinc/57/23/86/569572386.db2.gz OBNVKEBABFXCBU-UHFFFAOYSA-N 0 0 428.226 3.372 50 0 IGAARN CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C ZINC000009878067 569572765 /nfs/dbraw/zinc/57/27/65/569572765.db2.gz VOSXZLIXXNKXLD-UHFFFAOYSA-N 0 0 449.496 3.221 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000009884740 569572769 /nfs/dbraw/zinc/57/27/69/569572769.db2.gz ROGJTQCYUPRMHC-UHFFFAOYSA-N 0 0 442.459 3.251 50 0 IGAARN CCn1c(CN2CCC[C@H]3CCCC[C@@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009914967 569573372 /nfs/dbraw/zinc/57/33/72/569573372.db2.gz GAZPYVLUNCUTHY-NQIIRXRSSA-N 0 0 446.617 3.232 50 0 IGAARN CC[C@H](C)N(C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000009946745 569574161 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IGAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(Cl)ccc3OC)nn2)cc1 ZINC000010324545 569580941 /nfs/dbraw/zinc/58/09/41/569580941.db2.gz VFCJSEHWAMTOEE-UHFFFAOYSA-N 0 0 449.916 3.172 50 0 IGAARN CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nc21 ZINC000010337248 569581207 /nfs/dbraw/zinc/58/12/07/569581207.db2.gz KXLKOBSIZRPXEF-ZHACJKMWSA-N 0 0 427.551 3.062 50 0 IGAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)c1C ZINC000010346411 569581369 /nfs/dbraw/zinc/58/13/69/569581369.db2.gz BLTVODBTDPEZNC-KBPBESRZSA-N 0 0 440.616 3.025 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)Cc2cc(OC)c(OC)cc2Br)n1 ZINC000010421156 569582007 /nfs/dbraw/zinc/58/20/07/569582007.db2.gz QSKIJRQPHNYBCF-UHFFFAOYSA-N 0 0 443.319 3.210 50 0 IGAARN O=C1N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000010433786 569582138 /nfs/dbraw/zinc/58/21/38/569582138.db2.gz OIHIEVFVLLSUNQ-IAGOWNOFSA-N 0 0 428.407 3.452 50 0 IGAARN O=C1N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000010433784 569582161 /nfs/dbraw/zinc/58/21/61/569582161.db2.gz OIHIEVFVLLSUNQ-SJORKVTESA-N 0 0 428.407 3.452 50 0 IGAARN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000010514147 569582610 /nfs/dbraw/zinc/58/26/10/569582610.db2.gz PYSXKFYYOMEZOO-UHFFFAOYSA-N 0 0 443.566 3.479 50 0 IGAARN Cc1cc(NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1 ZINC000390832706 569583927 /nfs/dbraw/zinc/58/39/27/569583927.db2.gz KZGRDOUIPAWVCK-SFTDATJTSA-N 0 0 435.480 3.661 50 0 IGAARN Cn1c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)nc2cc(Cl)ccc21 ZINC000063981901 569585091 /nfs/dbraw/zinc/58/50/91/569585091.db2.gz AZXJLRDPSWFEDY-UHFFFAOYSA-N 0 0 429.885 4.046 50 0 IGAARN Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000077101122 569585531 /nfs/dbraw/zinc/58/55/31/569585531.db2.gz VXGZYUBQJHDXQT-UHFFFAOYSA-N 0 0 430.271 3.149 50 0 IGAARN O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000077101002 569585564 /nfs/dbraw/zinc/58/55/64/569585564.db2.gz NTUYPEBCMCULDJ-UHFFFAOYSA-N 0 0 425.441 3.134 50 0 IGAARN Cn1nc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n(-c2ccccc2)c1=O ZINC000077146527 569585654 /nfs/dbraw/zinc/58/56/54/569585654.db2.gz XWINNSYSPVXHLZ-UHFFFAOYSA-N 0 0 429.480 3.246 50 0 IGAARN Cn1nc(C2CCN(C(=O)c3ccccc3Br)CC2)n(-c2ccccc2)c1=O ZINC000077135701 569585657 /nfs/dbraw/zinc/58/56/57/569585657.db2.gz NMIYDFVPHFBCJY-UHFFFAOYSA-N 0 0 441.329 3.353 50 0 IGAARN Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(Cl)s2)CC3)no1 ZINC000077196486 569586077 /nfs/dbraw/zinc/58/60/77/569586077.db2.gz LIEBDSYSPOICLN-UHFFFAOYSA-N 0 0 444.947 3.154 50 0 IGAARN Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2ccc(C)c(C)c2)C(=O)N(C(C)C)C1=O ZINC000016571246 569586862 /nfs/dbraw/zinc/58/68/62/569586862.db2.gz RTTLWDQPJYJWDY-UHFFFAOYSA-O 0 0 435.479 3.075 50 0 IGAARN CCOC(=O)CCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(C)c1C ZINC000017297006 569586930 /nfs/dbraw/zinc/58/69/30/569586930.db2.gz BRIKQCWLFXPRGL-UHFFFAOYSA-N 0 0 447.499 3.208 50 0 IGAARN CCOC(=O)c1ccc(NC(=S)N2CC(=O)N3CCc4ccc(F)cc4[C@H]3C2)cc1 ZINC000022658083 569587243 /nfs/dbraw/zinc/58/72/43/569587243.db2.gz IMCKFLTTZIXDOT-LJQANCHMSA-N 0 0 427.501 3.141 50 0 IGAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCC(N)=O)n3C2CCCC2)C1 ZINC000023306598 569587253 /nfs/dbraw/zinc/58/72/53/569587253.db2.gz ILOXUDJYFLFKSN-AWEZNQCLSA-N 0 0 436.603 3.149 50 0 IGAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000033168979 569587375 /nfs/dbraw/zinc/58/73/75/569587375.db2.gz DHYNQGXPZLJOKD-LJQANCHMSA-N 0 0 438.528 3.159 50 0 IGAARN COc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1 ZINC000033310632 569587479 /nfs/dbraw/zinc/58/74/79/569587479.db2.gz IJXCPXKUNLGDIB-FQEVSTJZSA-N 0 0 438.524 3.160 50 0 IGAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310581 569587499 /nfs/dbraw/zinc/58/74/99/569587499.db2.gz FRCNUUKUZVVRQZ-OAQYLSRUSA-N 0 0 442.943 3.425 50 0 IGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn3c(n2)CC[C@H](c2ccc(OC)cc2OC)C3)C1 ZINC000034899185 569587642 /nfs/dbraw/zinc/58/76/42/569587642.db2.gz 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O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009837995 193903127 /nfs/dbraw/zinc/90/31/27/193903127.db2.gz OBFYWVMVTCZLDM-LBPRGKRZSA-N 0 0 436.946 3.384 50 0 IGAARN O=C(NCCc1ccccc1)C1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009831730 193899331 /nfs/dbraw/zinc/89/93/31/193899331.db2.gz CPPVVIHOWDRISI-UHFFFAOYSA-N 0 0 449.370 3.129 50 0 IGAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccs1)Nc1ccccc1 ZINC000000639780 132228131 /nfs/dbraw/zinc/22/81/31/132228131.db2.gz UEUYVBFZPQTWIO-KRWDZBQOSA-N 0 0 427.507 3.293 50 0 IGAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000000655898 132228578 /nfs/dbraw/zinc/22/85/78/132228578.db2.gz JZZCHFQFWNKFSW-UHFFFAOYSA-N 0 0 435.549 3.231 50 0 IGAARN COc1cc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc(OC)c1OC ZINC000000812023 132230983 /nfs/dbraw/zinc/23/09/83/132230983.db2.gz RAKZXTPKWKAOAG-UHFFFAOYSA-N 0 0 441.528 3.269 50 0 IGAARN CC(C)(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009569865 132235092 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0 IGAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000016513102 556613265 /nfs/dbraw/zinc/61/32/65/556613265.db2.gz YSDBAKCZNMCMHI-UHFFFAOYSA-N 0 0 446.433 3.104 50 0 IGAARN CCOC(=O)COc1ccc([C@H](C)NC(=O)Cc2cc(C(C)=O)ccc2OC)cc1OC ZINC000032916079 556613538 /nfs/dbraw/zinc/61/35/38/556613538.db2.gz QWJOWMGURKZJSW-HNNXBMFYSA-N 0 0 443.496 3.268 50 0 IGAARN CCOC(=O)C1CCN(C(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)CC1 ZINC000016650290 556620262 /nfs/dbraw/zinc/62/02/62/556620262.db2.gz KWTYHLUECWXQFX-UHFFFAOYSA-N 0 0 425.510 3.147 50 0 IGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)c3ccc[nH]3)cc2)cc1 ZINC000016684645 556625105 /nfs/dbraw/zinc/62/51/05/556625105.db2.gz WAQZWJJIZLJJDO-UHFFFAOYSA-N 0 0 428.466 3.254 50 0 IGAARN O=C(NC[C@H]1CCCO1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998829 556626438 /nfs/dbraw/zinc/62/64/38/556626438.db2.gz NFGQNQUUXNKYPK-GOSISDBHSA-N 0 0 425.485 3.432 50 0 IGAARN CCOc1ccc(-c2nc3s/c(=C/c4cc(C)c(OC(C)=O)c(C)c4)c(=O)n3n2)cc1 ZINC000016731395 556631391 /nfs/dbraw/zinc/63/13/91/556631391.db2.gz YAAZZGSKGGSVKS-XDHOZWIPSA-N 0 0 435.505 3.307 50 0 IGAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc(Br)c3)c(=O)n2n1 ZINC000016737001 556633598 /nfs/dbraw/zinc/63/35/98/556633598.db2.gz SKLWIYZRPIMOGM-YBEGLDIGSA-N 0 0 442.294 3.054 50 0 IGAARN COCc1nn2c(nnc3c2ccn(C[C@@H]2CCCO2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396221 556639119 /nfs/dbraw/zinc/63/91/19/556639119.db2.gz JCGQMKCQRGGNGX-HNNXBMFYSA-N 0 0 425.876 3.085 50 0 IGAARN CCCn1nc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc2c1=O ZINC000016812296 556644741 /nfs/dbraw/zinc/64/47/41/556644741.db2.gz DMXZTQGTPPNQQJ-HNNXBMFYSA-N 0 0 447.491 3.144 50 0 IGAARN O=C(NC1CCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016845849 556646787 /nfs/dbraw/zinc/64/67/87/556646787.db2.gz YUWHFSNMOVEAIV-UHFFFAOYSA-N 0 0 433.599 3.322 50 0 IGAARN O=C(CNC(=O)c1ccccc1Br)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752025 556651152 /nfs/dbraw/zinc/65/11/52/556651152.db2.gz WJQZUQGOCDAYMJ-UHFFFAOYSA-N 0 0 448.298 3.199 50 0 IGAARN Cn1c(=O)c2c(SCc3ccccc3F)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758216 556652543 /nfs/dbraw/zinc/65/25/43/556652543.db2.gz KMSRYQCYMKYUBB-UHFFFAOYSA-N 0 0 426.448 3.265 50 0 IGAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000017016313 556653026 /nfs/dbraw/zinc/65/30/26/556653026.db2.gz XGIIXEXBMOLKKT-SFHVURJKSA-N 0 0 431.489 3.283 50 0 IGAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 ZINC000011758611 556653173 /nfs/dbraw/zinc/65/31/73/556653173.db2.gz LEBTUIDGUHMHAC-UHFFFAOYSA-N 0 0 440.460 3.098 50 0 IGAARN CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000032999701 556653257 /nfs/dbraw/zinc/65/32/57/556653257.db2.gz XSMCXZSISGNRPW-UHFFFAOYSA-N 0 0 436.622 3.132 50 0 IGAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@H](c1cccs1)N1CCOCC1 ZINC000032999975 556653489 /nfs/dbraw/zinc/65/34/89/556653489.db2.gz HQIYAVNERNQZMO-MRXNPFEDSA-N 0 0 438.475 3.306 50 0 IGAARN O=C(NC1CCCCC1)c1[nH]cnc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000033003862 556654492 /nfs/dbraw/zinc/65/44/92/556654492.db2.gz VMWIDWSIFXQINL-UHFFFAOYSA-N 0 0 430.936 3.249 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c(Br)c1 ZINC000032927572 556656346 /nfs/dbraw/zinc/65/63/46/556656346.db2.gz BZFZXPDFCUBTRG-LBPRGKRZSA-N 0 0 447.376 3.169 50 0 IGAARN C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1 ZINC000011789641 556656477 /nfs/dbraw/zinc/65/64/77/556656477.db2.gz GJXPTFYGSIJAIG-OAHLLOKOSA-N 0 0 425.558 3.184 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000100739594 556658517 /nfs/dbraw/zinc/65/85/17/556658517.db2.gz AFWBWXQHEHEVKX-WBVHZDCISA-N 0 0 446.688 3.426 50 0 IGAARN CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCCC(C)C)c(=O)c2cc1OCC ZINC000004598155 556664304 /nfs/dbraw/zinc/66/43/04/556664304.db2.gz JRTDMRZCIJWJNN-UHFFFAOYSA-N 0 0 433.549 3.210 50 0 IGAARN CCCC[C@H](CC)CNC(=O)CCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O ZINC000004598153 556664373 /nfs/dbraw/zinc/66/43/73/556664373.db2.gz JYNHUEPJRVYNHJ-INIZCTEOSA-N 0 0 433.549 3.210 50 0 IGAARN O=C(c1cc(-c2cccc(Br)c2)n[nH]1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000017099368 556664662 /nfs/dbraw/zinc/66/46/62/556664662.db2.gz OEPNUDXEKAOWHZ-HNNXBMFYSA-N 0 0 435.175 3.260 50 0 IGAARN O=C(CN1CCN(C(=O)NCc2ccccc2F)CC1)Nc1ccccc1C(F)(F)F ZINC000017117547 556668380 /nfs/dbraw/zinc/66/83/80/556668380.db2.gz FHCUIYMAFZJKGN-UHFFFAOYSA-N 0 0 438.425 3.310 50 0 IGAARN COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)no2)cc1OC ZINC000044417944 556669426 /nfs/dbraw/zinc/66/94/26/556669426.db2.gz YIIZXYBSNYAWTP-AWEZNQCLSA-N 0 0 425.441 3.292 50 0 IGAARN COc1ccc(-c2cn3c(C(=O)N4CCN(C(=O)c5ccco5)CC4)csc3n2)cc1 ZINC000011902203 556669801 /nfs/dbraw/zinc/66/98/01/556669801.db2.gz VTEIEFXYHHKXNB-UHFFFAOYSA-N 0 0 436.493 3.263 50 0 IGAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c(Cl)c1 ZINC000011904653 556670379 /nfs/dbraw/zinc/67/03/79/556670379.db2.gz SMUZUBXSHRELLH-UHFFFAOYSA-N 0 0 442.946 3.133 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCCC3)C[C@H](C)CC2 ZINC000011905514 556670969 /nfs/dbraw/zinc/67/09/69/556670969.db2.gz HXRDSFKYJKIMPD-LLVKDONJSA-N 0 0 447.582 3.352 50 0 IGAARN CCOC(=O)c1cc2c(N)c(C(=O)c3ccc(CCNC(C)=O)c(F)c3)sc2nc1C ZINC000032929380 556671149 /nfs/dbraw/zinc/67/11/49/556671149.db2.gz GPIMJARVDVWFOC-UHFFFAOYSA-N 0 0 443.500 3.412 50 0 IGAARN C[C@@H](NC(=O)c1cccs1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032930206 556671158 /nfs/dbraw/zinc/67/11/58/556671158.db2.gz SGWZHACQUWAPRJ-GFCCVEGCSA-N 0 0 426.464 3.065 50 0 IGAARN Cc1cc(C)c(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c(Cl)c1 ZINC000011906041 556671252 /nfs/dbraw/zinc/67/12/52/556671252.db2.gz PQVBPQWQJNLDKS-UHFFFAOYSA-N 0 0 442.946 3.133 50 0 IGAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100793411 556673840 /nfs/dbraw/zinc/67/38/40/556673840.db2.gz KFBWCIFAXUWRNB-OTWHNJEPSA-N 0 0 426.314 3.293 50 0 IGAARN CCN1c2cc(N3CCOCC3)c(F)cc2N[C@H]2C(C(=O)OCc3ccco3)=C(C)O[C@H]21 ZINC000017241588 556673974 /nfs/dbraw/zinc/67/39/74/556673974.db2.gz WPHIGVWTKCSZLX-FCHUYYIVSA-N 0 0 443.475 3.249 50 0 IGAARN NC(=O)N[C@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(Br)c1 ZINC000024135690 556676803 /nfs/dbraw/zinc/67/68/03/556676803.db2.gz OVUHCOQOFOVYHX-QGZVFWFLSA-N 0 0 445.317 3.314 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCc3cc(C(F)(F)F)ccc32)c1 ZINC000032935627 556678540 /nfs/dbraw/zinc/67/85/40/556678540.db2.gz FHOCNRLOZWFHAA-UHFFFAOYSA-N 0 0 441.475 3.347 50 0 IGAARN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NCCCc1ccccc1 ZINC000012004437 556680208 /nfs/dbraw/zinc/68/02/08/556680208.db2.gz ZYDZRGGAUZPDSQ-UHFFFAOYSA-N 0 0 436.599 3.145 50 0 IGAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(F)cc2)n1 ZINC000012007842 556680581 /nfs/dbraw/zinc/68/05/81/556680581.db2.gz XHMBITZDBMMCGK-UHFFFAOYSA-N 0 0 437.431 3.496 50 0 IGAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000018142173 556684637 /nfs/dbraw/zinc/68/46/37/556684637.db2.gz DQIPSSAHATXZIR-LJQANCHMSA-N 0 0 433.430 3.168 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Br)s1 ZINC000071860991 556686353 /nfs/dbraw/zinc/68/63/53/556686353.db2.gz YZYZDFINFZDJOL-OAHLLOKOSA-N 0 0 443.388 3.289 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000249691144 556688466 /nfs/dbraw/zinc/68/84/66/556688466.db2.gz LCYCYKCRGGTNNL-XUJKJYMVSA-N 0 0 435.911 3.186 50 0 IGAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21 ZINC000033023238 556691422 /nfs/dbraw/zinc/69/14/22/556691422.db2.gz BLJUYMSMHPOGTD-INIZCTEOSA-N 0 0 447.605 3.252 50 0 IGAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000252675619 556694572 /nfs/dbraw/zinc/69/45/72/556694572.db2.gz UNUIPZQYUXCGRB-JOCHJYFZSA-N 0 0 432.545 3.415 50 0 IGAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCC(C)(C)N5O ZINC000118918985 556696408 /nfs/dbraw/zinc/69/64/08/556696408.db2.gz XFSSIDMMBOJNER-HFTBZQKESA-N 0 0 434.597 3.473 50 0 IGAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCc4c[nH]cn4)c(C)c13)CCC(C)(C)O2 ZINC000013551404 556696971 /nfs/dbraw/zinc/69/69/71/556696971.db2.gz QVOOQSAACGXFHV-UHFFFAOYSA-N 0 0 439.512 3.228 50 0 IGAARN COc1ccc(CCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1OC ZINC000013572042 556698827 /nfs/dbraw/zinc/69/88/27/556698827.db2.gz UIJVFJJWSNFCFW-QNGOZBTKSA-N 0 0 431.492 3.229 50 0 IGAARN COCCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027236 556706789 /nfs/dbraw/zinc/70/67/89/556706789.db2.gz UMSJLPIVTSTTAK-UHFFFAOYSA-N 0 0 426.498 3.136 50 0 IGAARN COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000019171785 556707461 /nfs/dbraw/zinc/70/74/61/556707461.db2.gz JBEVTSXUNAAXKV-HJOGWXRNSA-N 0 0 427.504 3.311 50 0 IGAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCOCC4)c3n2)cc1 ZINC000019212154 556709761 /nfs/dbraw/zinc/70/97/61/556709761.db2.gz RLSZJIJKKNVVLR-UHFFFAOYSA-N 0 0 429.471 3.094 50 0 IGAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)c1=O ZINC000013693236 556711900 /nfs/dbraw/zinc/71/19/00/556711900.db2.gz QHJIBERICJOGLU-HNNXBMFYSA-N 0 0 441.505 3.116 50 0 IGAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013724071 556719010 /nfs/dbraw/zinc/71/90/10/556719010.db2.gz WPDDNGUQOAADLV-FQEVSTJZSA-N 0 0 449.532 3.243 50 0 IGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc3c(s2)CCCCC3)n1 ZINC000061717625 556724019 /nfs/dbraw/zinc/72/40/19/556724019.db2.gz JBIBZCVPUWQIHL-UHFFFAOYSA-N 0 0 428.489 3.422 50 0 IGAARN COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(F)cc2Cl)cc(OC)c1OC ZINC000072330837 556728317 /nfs/dbraw/zinc/72/83/17/556728317.db2.gz MZLFECTXMDRNNI-QPJJXVBHSA-N 0 0 437.851 3.378 50 0 IGAARN Cc1cccc(C)c1NC(=O)COC(=O)COc1ccc(I)cc1 ZINC000072330998 556728620 /nfs/dbraw/zinc/72/86/20/556728620.db2.gz HJLGDDGNWGDEOF-UHFFFAOYSA-N 0 0 439.249 3.469 50 0 IGAARN O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccc(F)c(Cl)c1 ZINC000072331823 556731045 /nfs/dbraw/zinc/73/10/45/556731045.db2.gz GMTMXDIDVVTUOB-UHFFFAOYSA-N 0 0 443.887 3.392 50 0 IGAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000005205515 556731861 /nfs/dbraw/zinc/73/18/61/556731861.db2.gz ILJPXWNNVJLDNS-UWJYYQICSA-N 0 0 429.561 3.028 50 0 IGAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCCc1ccc2c(c1)OCCO2 ZINC000011150694 556733945 /nfs/dbraw/zinc/73/39/45/556733945.db2.gz QWHCZTPJPCUIBY-UHFFFAOYSA-N 0 0 427.472 3.311 50 0 IGAARN O=S(=O)(c1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nc1)N1CCCC1 ZINC000078721868 556735389 /nfs/dbraw/zinc/73/53/89/556735389.db2.gz BLMWKNICALGHDX-OAQYLSRUSA-N 0 0 435.977 3.470 50 0 IGAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000078714634 556735419 /nfs/dbraw/zinc/73/54/19/556735419.db2.gz GUGCAPFNLWHIAE-UHFFFAOYSA-N 0 0 439.479 3.358 50 0 IGAARN Cc1nc(CCNC(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)sc1C ZINC000055131461 556735548 /nfs/dbraw/zinc/73/55/48/556735548.db2.gz JMMGPBKAWRHVDW-UHFFFAOYSA-N 0 0 443.548 3.182 50 0 IGAARN COCCn1c(CN(C)Cc2cccc3ccccc32)cnc1S(=O)(=O)CC1CC1 ZINC000055154195 556736413 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CSc1ncc(Cl)c(C(=O)NCc2ccnc(OCc3ccc4c(c3)OCO4)c2)n1 ZINC000058048754 556755395 /nfs/dbraw/zinc/75/53/95/556755395.db2.gz AJIGLLZDMDZZCY-UHFFFAOYSA-N 0 0 444.900 3.485 50 0 IGAARN Cc1nnc(CN2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)n1C ZINC000058052730 556755561 /nfs/dbraw/zinc/75/55/61/556755561.db2.gz AWISWZUTTCJRPQ-CYBMUJFWSA-N 0 0 435.454 3.071 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C ZINC000019424616 556755618 /nfs/dbraw/zinc/75/56/18/556755618.db2.gz XZHSUNOEHGCRTG-UHFFFAOYSA-N 0 0 447.538 3.343 50 0 IGAARN CCS(=O)(=O)N1CCC(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000019427241 556755638 /nfs/dbraw/zinc/75/56/38/556755638.db2.gz BVOZSRSLPMZBMR-NRFANRHFSA-N 0 0 444.553 3.280 50 0 IGAARN O=C(CN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1)NC1CC1 ZINC000058160467 556764430 /nfs/dbraw/zinc/76/44/30/556764430.db2.gz WAZOXMNCHMBLAM-UHFFFAOYSA-N 0 0 427.961 3.412 50 0 IGAARN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000058161179 556764954 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50 0 IGAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000024174366 557139435 /nfs/dbraw/zinc/13/94/35/557139435.db2.gz MXYRFYNOSFCSCJ-UHFFFAOYSA-N 0 0 441.434 3.296 50 0 IGAARN CCCC1=C(C(=O)OC(C)(C)C)[C@]2(c3ccccc3NC2=O)C(C(=O)OCC)=C(N)O1 ZINC000000706130 557139904 /nfs/dbraw/zinc/13/99/04/557139904.db2.gz BMCFFCDHVSYDJA-HSZRJFAPSA-N 0 0 428.485 3.036 50 0 IGAARN CC1=C(C(=O)OCc2ccccc2)[C@@]2(c3ccccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000000706077 557140031 /nfs/dbraw/zinc/14/00/31/557140031.db2.gz JYLCVOYUKAZWBB-VWLOTQADSA-N 0 0 448.475 3.046 50 0 IGAARN C[C@H](NC(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000024358761 557145077 /nfs/dbraw/zinc/14/50/77/557145077.db2.gz KUKIWOCKXJTXNE-MPXFRAOLSA-N 0 0 426.513 3.041 50 0 IGAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 ZINC000024365144 557145440 /nfs/dbraw/zinc/14/54/40/557145440.db2.gz JFAHODIQZJOTIK-UHFFFAOYSA-N 0 0 430.551 3.194 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCCc1ccc2c(c1)OCO2 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COc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C ZINC000009095954 557181786 /nfs/dbraw/zinc/18/17/86/557181786.db2.gz ZFKGJQFLRNGWDX-UHFFFAOYSA-N 0 0 449.536 3.472 50 0 IGAARN CC[C@@H](Sc1nnc(COc2ccccc2OC)n1C)C(=O)Nc1nnc(C)s1 ZINC000009289898 557183640 /nfs/dbraw/zinc/18/36/40/557183640.db2.gz HKWGDEAFRVGXEE-CQSZACIVSA-N 0 0 434.547 3.072 50 0 IGAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000009261598 557184351 /nfs/dbraw/zinc/18/43/51/557184351.db2.gz WDIROAPNPBSCPF-UHFFFAOYSA-N 0 0 440.312 3.376 50 0 IGAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000009262995 557184671 /nfs/dbraw/zinc/18/46/71/557184671.db2.gz BYOSJYTZVWBCJK-GOEBONIOSA-N 0 0 433.553 3.405 50 0 IGAARN Cc1nc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)sc1C ZINC000009302443 557185466 /nfs/dbraw/zinc/18/54/66/557185466.db2.gz VZWBGLJHYDNAEK-UHFFFAOYSA-N 0 0 444.586 3.417 50 0 IGAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCNS(=O)(=O)c2c(C)noc2C)cc1 ZINC000024987988 557186795 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CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc(F)cc1 ZINC000025106840 557195514 /nfs/dbraw/zinc/19/55/14/557195514.db2.gz IOGXHBSFGBPFAV-QGZVFWFLSA-N 0 0 430.505 3.381 50 0 IGAARN COc1c(Cl)cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1Cl ZINC000025139079 557196070 /nfs/dbraw/zinc/19/60/70/557196070.db2.gz YAHYWBIIGNBIQW-UHFFFAOYSA-N 0 0 446.338 3.485 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)/N=c3/sc4cc(F)ccc4n3C)CC2)cc1 ZINC000100892271 557198553 /nfs/dbraw/zinc/19/85/53/557198553.db2.gz KMVGKKMRRNUJIT-XTQSDGFTSA-N 0 0 447.557 3.216 50 0 IGAARN O=C(OCc1cn2cc(Cl)ccc2n1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000025285472 557202480 /nfs/dbraw/zinc/20/24/80/557202480.db2.gz XUZMPJBGYKQYCV-ZDUSSCGKSA-N 0 0 439.946 3.193 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)c1C ZINC000011573304 557203018 /nfs/dbraw/zinc/20/30/18/557203018.db2.gz OHAOVLGIEIQEMC-JTQLQIEISA-N 0 0 425.894 3.402 50 0 IGAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)c(OC)c1 ZINC000011584658 557204694 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Cc1cccc(Nc2ccc(NCCNS(=O)(=O)c3ccc4ccccc4c3)nn2)n1 ZINC000011697129 557394723 /nfs/dbraw/zinc/39/47/23/557394723.db2.gz GBFILHYWVRMEOI-UHFFFAOYSA-N 0 0 434.525 3.467 50 0 IGAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C ZINC000013956185 557398297 /nfs/dbraw/zinc/39/82/97/557398297.db2.gz IHVLVPUOLTVKOV-UHFFFAOYSA-N 0 0 449.536 3.220 50 0 IGAARN O=S(=O)(c1ccc(Cl)cc1)N1CN(C[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000104185476 557452470 /nfs/dbraw/zinc/45/24/70/557452470.db2.gz ZWZIVMYWEQDXOS-OAHLLOKOSA-N 0 0 430.917 3.435 50 0 IGAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000104861146 557462475 /nfs/dbraw/zinc/46/24/75/557462475.db2.gz SJWWCGSMRHCUPF-KZNAEPCWSA-N 0 0 431.558 3.286 50 0 IGAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000051316471 557464049 /nfs/dbraw/zinc/46/40/49/557464049.db2.gz RAUAASZZYZUMNW-UHFFFAOYSA-N 0 0 447.520 3.189 50 0 IGAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccn2C)C1 ZINC000105009238 557470821 /nfs/dbraw/zinc/47/08/21/557470821.db2.gz NSDOLSVYLRMNIH-PGRDOPGGSA-N 0 0 440.519 3.117 50 0 IGAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C(C)=O)cc2)C3)no1 ZINC000012030381 557523689 /nfs/dbraw/zinc/52/36/89/557523689.db2.gz VHVUFRZDAKASNC-UHFFFAOYSA-N 0 0 446.507 3.272 50 0 IGAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029945 557525135 /nfs/dbraw/zinc/52/51/35/557525135.db2.gz NNLBPJSFODWULV-CQSZACIVSA-N 0 0 448.349 3.207 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O ZINC000106613684 557530828 /nfs/dbraw/zinc/53/08/28/557530828.db2.gz JLTDWSUKYCVEDR-IAGOWNOFSA-N 0 0 439.585 3.227 50 0 IGAARN CC(C)C[C@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000106904376 557533004 /nfs/dbraw/zinc/53/30/04/557533004.db2.gz YOSDCWJMMOVRPT-CADBVGFASA-N 0 0 442.560 3.265 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000211077786 557533848 /nfs/dbraw/zinc/53/38/48/557533848.db2.gz ODCMFBXHIHJYBF-UHFFFAOYSA-N 0 0 430.424 3.168 50 0 IGAARN O=C1C[C@@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000044903381 557540471 /nfs/dbraw/zinc/54/04/71/557540471.db2.gz UHDVIWPORVQZFZ-KRWDZBQOSA-N 0 0 438.640 3.463 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)n2nnc(-c3ccc(Br)cc3)n2)c1C ZINC000045342535 557543389 /nfs/dbraw/zinc/54/33/89/557543389.db2.gz HQIQYEJWLNABCP-LLVKDONJSA-N 0 0 432.278 3.278 50 0 IGAARN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@H]1C ZINC000108919609 557544343 /nfs/dbraw/zinc/54/43/43/557544343.db2.gz WQYNNXMRFRZLRD-MSYCTHLASA-N 0 0 443.613 3.087 50 0 IGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C(C)=O)c1)C(=O)CS2 ZINC000045960871 557554847 /nfs/dbraw/zinc/55/48/47/557554847.db2.gz QZDUJKFCXZYNQP-UHFFFAOYSA-N 0 0 439.537 3.449 50 0 IGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc3C1)C(=O)CS2 ZINC000045960828 557554879 /nfs/dbraw/zinc/55/48/79/557554879.db2.gz GQUGONSVXFDPOU-UHFFFAOYSA-N 0 0 437.565 3.192 50 0 IGAARN CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)cc1 ZINC000045970613 557558134 /nfs/dbraw/zinc/55/81/34/557558134.db2.gz YXGUZQQHVTWPNS-UHFFFAOYSA-N 0 0 429.571 3.168 50 0 IGAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ccccc2F)CC1 ZINC000040069028 557688518 /nfs/dbraw/zinc/68/85/18/557688518.db2.gz XLXNLQWCSTVDQH-OAHLLOKOSA-N 0 0 446.320 3.290 50 0 IGAARN CC[C@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(OCCn2cccn2)cc1 ZINC000225397572 557718412 /nfs/dbraw/zinc/71/84/12/557718412.db2.gz SCLCFHHXNPQUHI-OAQYLSRUSA-N 0 0 443.525 3.109 50 0 IGAARN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000225399961 557718567 /nfs/dbraw/zinc/71/85/67/557718567.db2.gz KLVYVFDODRVWND-IEBWSBKVSA-N 0 0 449.567 3.369 50 0 IGAARN CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000225409195 557719624 /nfs/dbraw/zinc/71/96/24/557719624.db2.gz XZUDKYYJSBSKGJ-JPYJTQIMSA-N 0 0 434.521 3.492 50 0 IGAARN Cc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000225497950 557730596 /nfs/dbraw/zinc/73/05/96/557730596.db2.gz RYUXONDXGVUNTF-KUHUBIRLSA-N 0 0 433.555 3.330 50 0 IGAARN Cc1nccn1-c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cn1 ZINC000225504027 557731331 /nfs/dbraw/zinc/73/13/31/557731331.db2.gz PHFMAEYSGNFDMM-UHFFFAOYSA-N 0 0 439.313 3.255 50 0 IGAARN CSc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 ZINC000040478054 557753296 /nfs/dbraw/zinc/75/32/96/557753296.db2.gz VXDAXQIKKDLBIF-UHFFFAOYSA-N 0 0 440.916 3.050 50 0 IGAARN CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000225659713 557758233 /nfs/dbraw/zinc/75/82/33/557758233.db2.gz UXAPNMBGSSGUPX-HSZRJFAPSA-N 0 0 439.519 3.497 50 0 IGAARN O=C(NCCc1csc(=O)[nH]1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000225700010 557766222 /nfs/dbraw/zinc/76/62/22/557766222.db2.gz VJCUVKNVGZUEPP-IRLDBZIGSA-N 0 0 435.549 3.275 50 0 IGAARN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cccc(C(=O)N2CCCC2)n1 ZINC000225709844 557767111 /nfs/dbraw/zinc/76/71/11/557767111.db2.gz 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Cc1noc([C@H](NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C2CCOCC2)n1 ZINC000241171114 557846257 /nfs/dbraw/zinc/84/62/57/557846257.db2.gz KEHZYGOBLXMYHF-HXUWFJFHSA-N 0 0 442.516 3.011 50 0 IGAARN CC[C@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000241961256 557847073 /nfs/dbraw/zinc/84/70/73/557847073.db2.gz UQRFAYQJHYMTAO-LJQANCHMSA-N 0 0 431.489 3.467 50 0 IGAARN C[C@@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1)n1ccc2ccccc2c1=O ZINC000242106251 557847237 /nfs/dbraw/zinc/84/72/37/557847237.db2.gz WIEQROPCKKWFQE-AWEZNQCLSA-N 0 0 442.313 3.470 50 0 IGAARN Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1NC(=O)c1ccccc1F ZINC000242339104 557847766 /nfs/dbraw/zinc/84/77/66/557847766.db2.gz ZEYLEKCUIJJQPI-BWAGFHJFSA-N 0 0 426.488 3.388 50 0 IGAARN COc1ccc(S(=O)(=O)NCc2ccco2)cc1-c1nnc2c3ccccc3c(C)nn21 ZINC000001121579 562920560 /nfs/dbraw/zinc/92/05/60/562920560.db2.gz LPNHVBDXCGLOBH-UHFFFAOYSA-N 0 0 449.492 3.333 50 0 IGAARN COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000001213915 562920883 /nfs/dbraw/zinc/92/08/83/562920883.db2.gz SQBIDZGSWLVWJR-SFHVURJKSA-N 0 0 437.677 3.323 50 0 IGAARN NC(=O)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 ZINC000001895932 562925320 /nfs/dbraw/zinc/92/53/20/562925320.db2.gz JQZNBXVMRJATGE-UHFFFAOYSA-N 0 0 436.518 3.401 50 0 IGAARN CC(C)c1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000002351943 562927088 /nfs/dbraw/zinc/92/70/88/562927088.db2.gz CHRHKOKSIANFTL-UGKGYDQZSA-N 0 0 429.538 3.166 50 0 IGAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002619295 562928504 /nfs/dbraw/zinc/92/85/04/562928504.db2.gz HNOPXLIOVUGRIS-UHFFFAOYSA-N 0 0 439.449 3.165 50 0 IGAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCC(C)CC1 ZINC000002622835 562928589 /nfs/dbraw/zinc/92/85/89/562928589.db2.gz CFTFYKPCNBJUGF-PGEKIEPBSA-N 0 0 431.396 3.447 50 0 IGAARN CCOC(=O)Cc1cn2c(nc(CSCC(=O)Nc3ccc(C)c(C)c3)cc2=O)s1 ZINC000002655052 562929486 /nfs/dbraw/zinc/92/94/86/562929486.db2.gz BIYDGMUSKQFINS-UHFFFAOYSA-N 0 0 445.566 3.350 50 0 IGAARN COC(=O)c1cccc(NC(=O)N[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003245054 562933256 /nfs/dbraw/zinc/93/32/56/562933256.db2.gz MBZSVVDFZOWVIL-QGZVFWFLSA-N 0 0 437.905 3.059 50 0 IGAARN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000003293982 562933824 /nfs/dbraw/zinc/93/38/24/562933824.db2.gz OSUSQEWFVORUPE-GFCCVEGCSA-N 0 0 445.324 3.184 50 0 IGAARN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1c(F)cccc1Cl ZINC000003433974 562935757 /nfs/dbraw/zinc/93/57/57/562935757.db2.gz FBVDSHNBTDPDPU-UHFFFAOYSA-N 0 0 439.940 3.334 50 0 IGAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000003438807 562935848 /nfs/dbraw/zinc/93/58/48/562935848.db2.gz LINSNJWZVMEBRR-FQEVSTJZSA-N 0 0 426.542 3.475 50 0 aggregator IGAARN Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2s1 ZINC000003446267 562935957 /nfs/dbraw/zinc/93/59/57/562935957.db2.gz TWWSDFIGAQABSA-UHFFFAOYSA-N 0 0 431.539 3.186 50 0 IGAARN CC(=O)NC(=O)COC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 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/nfs/dbraw/zinc/84/98/99/568849899.db2.gz JUAVUXOYTCJLFI-UHFFFAOYSA-N 0 0 443.500 3.105 50 0 IGAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(OC)cc(OC)c3)c2)nn1 ZINC000015880857 568854502 /nfs/dbraw/zinc/85/45/02/568854502.db2.gz VHWHUIXFEJJUIS-UHFFFAOYSA-N 0 0 427.482 3.207 50 0 IGAARN Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4ccc5c(c4)OCO5)nn32)cc1 ZINC000015881716 568856076 /nfs/dbraw/zinc/85/60/76/568856076.db2.gz MPWBMQWUQSNANH-UHFFFAOYSA-N 0 0 433.493 3.237 50 0 IGAARN COc1ccc(OC)c(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)c1 ZINC000015881768 568856160 /nfs/dbraw/zinc/85/61/60/568856160.db2.gz ACVLVKLNKFNKNU-UHFFFAOYSA-N 0 0 437.481 3.245 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21 ZINC000015881774 568856162 /nfs/dbraw/zinc/85/61/62/568856162.db2.gz MSXYVRLPJLCDKQ-UHFFFAOYSA-N 0 0 449.492 3.404 50 0 IGAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)c1 ZINC000015882356 568856291 /nfs/dbraw/zinc/85/62/91/568856291.db2.gz CIRRBLXJHOQKTP-UHFFFAOYSA-N 0 0 433.512 3.068 50 0 IGAARN Cc1cccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000015883466 568857609 /nfs/dbraw/zinc/85/76/09/568857609.db2.gz XGNJYCUKQICGTR-UHFFFAOYSA-N 0 0 426.542 3.103 50 0 IGAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc2ccccc21 ZINC000015883425 568857630 /nfs/dbraw/zinc/85/76/30/568857630.db2.gz OVCCMTAIAKEOQF-UHFFFAOYSA-N 0 0 448.548 3.469 50 0 IGAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)cc1 ZINC000015884253 568858088 /nfs/dbraw/zinc/85/80/88/568858088.db2.gz JLHWIMCSQWFLQX-UHFFFAOYSA-N 0 0 427.526 3.435 50 0 IGAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000015922649 568858647 /nfs/dbraw/zinc/85/86/47/568858647.db2.gz DXDYYVQTJWXUBA-UHFFFAOYSA-N 0 0 434.489 3.348 50 0 IGAARN Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c(O)c2c1 ZINC000006181311 568867979 /nfs/dbraw/zinc/86/79/79/568867979.db2.gz SRPZGURHSHXDSE-UHFFFAOYSA-N 0 0 439.537 3.334 50 0 IGAARN Cc1[nH]c(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1C(=O)OC(C)C ZINC000016103393 568870661 /nfs/dbraw/zinc/87/06/61/568870661.db2.gz QQAKKBLGPBWCJR-UHFFFAOYSA-N 0 0 427.549 3.381 50 0 IGAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@@H](C(N)=O)C5)C4=O)cc3)sc2c1 ZINC000018031606 568875801 /nfs/dbraw/zinc/87/58/01/568875801.db2.gz KULZVIFUOPBMBG-APWZRJJASA-N 0 0 448.548 3.101 50 0 IGAARN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026468033 568877837 /nfs/dbraw/zinc/87/78/37/568877837.db2.gz GAFUYQGTXGCXKO-OAHLLOKOSA-N 0 0 433.455 3.162 50 0 IGAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1 ZINC000575606353 568878021 /nfs/dbraw/zinc/87/80/21/568878021.db2.gz GQEHSDDEBPHBNW-UHFFFAOYSA-N 0 0 442.459 3.115 50 0 IGAARN CC(C)Sc1ccc(CC(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1 ZINC000575611319 568879100 /nfs/dbraw/zinc/87/91/00/568879100.db2.gz DWLSVAFGZVHZTD-UHFFFAOYSA-N 0 0 437.562 3.186 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](c3cccs3)n3cccn3)n(C)n2)c1 ZINC000575613986 568879975 /nfs/dbraw/zinc/87/99/75/568879975.db2.gz 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CC(C)[C@H](CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCOCC1 ZINC000013012247 568901058 /nfs/dbraw/zinc/90/10/58/568901058.db2.gz DFNAOJVWCPUUGJ-NRFANRHFSA-N 0 0 443.613 3.338 50 0 IGAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000013019742 568902001 /nfs/dbraw/zinc/90/20/01/568902001.db2.gz ICSQJSNKYJPSCB-JOCHJYFZSA-N 0 0 438.505 3.286 50 0 IGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(Br)c1 ZINC000013020272 568902072 /nfs/dbraw/zinc/90/20/72/568902072.db2.gz HRVNQIOUCZPAOL-ZDUSSCGKSA-N 0 0 430.302 3.285 50 0 IGAARN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H](O)c1ccc(Cl)cc1F ZINC000390832920 568909716 /nfs/dbraw/zinc/90/97/16/568909716.db2.gz AGTCKIQXCWJTOE-ROUUACIJSA-N 0 0 426.822 3.098 50 0 IGAARN CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCC ZINC000238899895 568910047 /nfs/dbraw/zinc/91/00/47/568910047.db2.gz HFMIUQYLOXFQDO-OUCADQQQSA-N 0 0 427.931 3.438 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000240465939 568911873 /nfs/dbraw/zinc/91/18/73/568911873.db2.gz GBPLDBPHLYYSBS-IEZWGBDMSA-N 0 0 435.540 3.342 50 0 IGAARN C[C@@H](NC(=O)[C@]1(CC(=O)N[C@@H](C)C2CC2)CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000242273647 568912557 /nfs/dbraw/zinc/91/25/57/568912557.db2.gz YERQBORPLAAWEX-ATLLOTDBSA-N 0 0 441.572 3.235 50 0 IGAARN C[C@]1(Cc2ccccc2)OC(=O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@]2(C)O)[C@@]1(C)O ZINC000245255021 568913630 /nfs/dbraw/zinc/91/36/30/568913630.db2.gz DQGRJAZMPUBWTA-LWSSLDFYSA-N 0 0 440.496 3.226 50 0 IGAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5cc(C)ccc5N4[C@@H](C(C)=O)[C@H]3C2=O)cc1 ZINC000245254855 568913674 /nfs/dbraw/zinc/91/36/74/568913674.db2.gz CPRDYABZGSIJBI-MLCQCVOFSA-N 0 0 444.487 3.151 50 0 IGAARN COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 ZINC000026788326 568916848 /nfs/dbraw/zinc/91/68/48/568916848.db2.gz MPDIMWCRIDMENB-UHFFFAOYSA-N 0 0 440.887 3.298 50 0 IGAARN CCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000089286342 568918402 /nfs/dbraw/zinc/91/84/02/568918402.db2.gz GXOHYDBBNKGNMF-UHFFFAOYSA-N 0 0 426.513 3.066 50 0 IGAARN CN1c2ccc(S(=O)(=O)N3CCCN(Cc4cccs4)CC3)c3cccc(c23)C1=O ZINC000089385701 568921385 /nfs/dbraw/zinc/92/13/85/568921385.db2.gz CWMWNSCXNQQXBA-UHFFFAOYSA-N 0 0 441.578 3.388 50 0 IGAARN COc1ccc(CCNC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1OC ZINC000001962772 568924008 /nfs/dbraw/zinc/92/40/08/568924008.db2.gz PUWUKARJXBSRDB-UHFFFAOYSA-N 0 0 447.487 3.451 50 0 IGAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000089457520 568925531 /nfs/dbraw/zinc/92/55/31/568925531.db2.gz HHHVMXNKRMBXKW-SIKLNZKXSA-N 0 0 429.948 3.435 50 0 IGAARN COc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccc(F)c(F)c2)CC3)c1 ZINC000035818993 568927600 /nfs/dbraw/zinc/92/76/00/568927600.db2.gz ACEGSLJHRFFQTK-UHFFFAOYSA-N 0 0 426.423 3.238 50 0 IGAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(C)cc4)cc3)c(=O)c2cc1OC ZINC000064449189 568928529 /nfs/dbraw/zinc/92/85/29/568928529.db2.gz FQBLXKPMJCLMNS-UHFFFAOYSA-N 0 0 445.475 3.316 50 0 IGAARN CCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016652284 568929322 /nfs/dbraw/zinc/92/93/22/568929322.db2.gz HUHJXKSJMXAQOT-UHFFFAOYSA-N 0 0 441.572 3.159 50 0 IGAARN CCOc1ccccc1C(=O)N1CCc2c(c(-c3nnc(SC)n3CC)nn2C)C1 ZINC000064567147 568933315 /nfs/dbraw/zinc/93/33/15/568933315.db2.gz VTTQKPBUQTXXFP-UHFFFAOYSA-N 0 0 426.546 3.018 50 0 IGAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])CC1 ZINC000064580575 568934577 /nfs/dbraw/zinc/93/45/77/568934577.db2.gz WYYXSCHQCLKBSE-UHFFFAOYSA-N 0 0 431.558 3.253 50 0 IGAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])CC1 ZINC000064580562 568934584 /nfs/dbraw/zinc/93/45/84/568934584.db2.gz DDXAFEUUHNBWJW-UHFFFAOYSA-N 0 0 431.558 3.334 50 0 IGAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccn6)CC5)n3n2)CCC4)cc1 ZINC000064592856 568935636 /nfs/dbraw/zinc/93/56/36/568935636.db2.gz UKGHXQKUAQXZCX-UHFFFAOYSA-N 0 0 425.540 3.234 50 0 IGAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1OC ZINC000064593281 568935766 /nfs/dbraw/zinc/93/57/66/568935766.db2.gz SZHAJEVVULPPEY-UHFFFAOYSA-N 0 0 440.456 3.012 50 0 IGAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4cc(C)cc(C)c4)nnc3c2=O)c1 ZINC000064593704 568936013 /nfs/dbraw/zinc/93/60/13/568936013.db2.gz WQQIKLXQQDQYDD-UHFFFAOYSA-N 0 0 435.509 3.236 50 0 IGAARN CCOc1ccc(C(=O)N[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000006602095 568936385 /nfs/dbraw/zinc/93/63/85/568936385.db2.gz QROPPNJMWSQXNB-NRFANRHFSA-N 0 0 425.529 3.211 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089552913 568937329 /nfs/dbraw/zinc/93/73/29/568937329.db2.gz NRELNCAXFNDQAE-AWEZNQCLSA-N 0 0 442.368 3.327 50 0 IGAARN O=C(CSC1=NCCS1)Nc1ccc(NC(=O)CSC2=NCCS2)cc1 ZINC000002491681 568937616 /nfs/dbraw/zinc/93/76/16/568937616.db2.gz GPJXGDCNDMCQIJ-UHFFFAOYSA-N 0 0 426.614 3.236 50 0 IGAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000064605193 568939105 /nfs/dbraw/zinc/93/91/05/568939105.db2.gz KAIZJORBCKTQNI-UHFFFAOYSA-N 0 0 426.423 3.422 50 0 IGAARN O=C(N/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000027023884 568939217 /nfs/dbraw/zinc/93/92/17/568939217.db2.gz NMUVBVWUVREYFV-HEHNFIMWSA-N 0 0 446.459 3.129 50 0 IGAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 ZINC000064704064 568944523 /nfs/dbraw/zinc/94/45/23/568944523.db2.gz RJOQMEHMJXGXRB-UHFFFAOYSA-N 0 0 442.589 3.272 50 0 IGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036069403 568945476 /nfs/dbraw/zinc/94/54/76/568945476.db2.gz YAUYKLZRXJPTDR-UHFFFAOYSA-N 0 0 449.599 3.385 50 0 IGAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CC1 ZINC000036069309 568945539 /nfs/dbraw/zinc/94/55/39/568945539.db2.gz VRXFMZKMFVEGIH-LJQANCHMSA-N 0 0 435.572 3.077 50 0 IGAARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000036083783 568947418 /nfs/dbraw/zinc/94/74/18/568947418.db2.gz VXUQFKYAKCFDNV-OAQYLSRUSA-N 0 0 444.459 3.435 50 0 IGAARN O=C(NCCCN1CCCc2ccccc21)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000064746506 568949716 /nfs/dbraw/zinc/94/97/16/568949716.db2.gz ICDBECNJSFGLAZ-UHFFFAOYSA-N 0 0 447.539 3.146 50 0 IGAARN CCc1ccccc1NC(=O)NCCn1c(C)nc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000064755570 568951109 /nfs/dbraw/zinc/95/11/09/568951109.db2.gz SEVFDCZXMBPCDF-UHFFFAOYSA-N 0 0 443.573 3.416 50 0 IGAARN COCCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)N3CCOCC3)c(C)n21 ZINC000064761270 568952263 /nfs/dbraw/zinc/95/22/63/568952263.db2.gz ZTQNOAONHWABKB-UHFFFAOYSA-N 0 0 432.521 3.431 50 0 IGAARN CCCNC(=O)Cn1c(=O)c2oc3ccccc3c2n(Cc2ccc(Cl)cc2)c1=O ZINC000064769505 568953440 /nfs/dbraw/zinc/95/34/40/568953440.db2.gz DYFXRUIQDLXZPD-UHFFFAOYSA-N 0 0 425.872 3.137 50 0 IGAARN COC(=O)c1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000064775148 568954542 /nfs/dbraw/zinc/95/45/42/568954542.db2.gz ZKIMCYFYCPETRZ-UHFFFAOYSA-N 0 0 444.447 3.299 50 0 IGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775816 568954949 /nfs/dbraw/zinc/95/49/49/568954949.db2.gz AZKOPDFLJGFUAW-UHFFFAOYSA-N 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CCN(CC)C(=O)Cn1cnc2sc(C(=O)NCc3ccccc3Cl)c(C)c2c1=O ZINC000010013112 569577055 /nfs/dbraw/zinc/57/70/55/569577055.db2.gz AZFUNPRMZGYNKO-UHFFFAOYSA-N 0 0 446.960 3.218 50 0 IGAARN Nc1c2c3c(sc2[nH]c(=O)c1N1C(=O)N[C@]2(CCCc4sccc42)C1=O)CCCC3 ZINC000010022684 569577289 /nfs/dbraw/zinc/57/72/89/569577289.db2.gz XCPKYLUUFFZDAI-NRFANRHFSA-N 0 0 440.550 3.400 50 0 IGAARN CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000010099517 569577751 /nfs/dbraw/zinc/57/77/51/569577751.db2.gz QKEUMBSUEYCPAG-UHFFFAOYSA-N 0 0 447.582 3.151 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000010095608 569577756 /nfs/dbraw/zinc/57/77/56/569577756.db2.gz OEHUNGZNDRMZQX-UHFFFAOYSA-N 0 0 432.329 3.135 50 0 IGAARN Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c(C)c1 ZINC000010104812 569577876 /nfs/dbraw/zinc/57/78/76/569577876.db2.gz LFRZITAEWXAJGT-UHFFFAOYSA-N 0 0 429.524 3.298 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000010139199 569578104 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/nfs/dbraw/zinc/15/64/34/556156434.db2.gz NTZYHSAWOOVREO-UHFFFAOYSA-N 0 0 435.524 3.457 50 0 IGAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008385342 556161490 /nfs/dbraw/zinc/16/14/90/556161490.db2.gz PGCMKYSDQZTHOC-KRWDZBQOSA-N 0 0 426.307 3.418 50 0 IGAARN Cc1cc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)no1 ZINC000008399959 556165652 /nfs/dbraw/zinc/16/56/52/556165652.db2.gz VNCMXBQOCYQSQY-UHFFFAOYSA-N 0 0 428.495 3.301 50 0 IGAARN O=C1N[C@@H](c2ccc(OC(F)F)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008432906 556172180 /nfs/dbraw/zinc/17/21/80/556172180.db2.gz YMQUCPIBEBAZSR-SUNYJGFJSA-N 0 0 430.329 3.392 50 0 IGAARN COc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000008438571 556174664 /nfs/dbraw/zinc/17/46/64/556174664.db2.gz QMVTZHKRYFLFKP-JCUDRXCFSA-N 0 0 434.529 3.133 50 0 IGAARN CCCOc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000008444014 556178642 /nfs/dbraw/zinc/17/86/42/556178642.db2.gz HNKQHOBAHHRRBG-HNNXBMFYSA-N 0 0 427.295 3.438 50 0 IGAARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)o1 ZINC000008454867 556185304 /nfs/dbraw/zinc/18/53/04/556185304.db2.gz IQACKSUNPLEURF-SRKIZSPNSA-N 0 0 445.500 3.368 50 0 IGAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 ZINC000008586894 556188332 /nfs/dbraw/zinc/18/83/32/556188332.db2.gz SSORROYUURFZGD-UHFFFAOYSA-N 0 0 427.526 3.075 50 0 IGAARN COC(=O)c1c(N)n(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)nc1SC ZINC000008715330 556201823 /nfs/dbraw/zinc/20/18/23/556201823.db2.gz RYSWYEACVPCPOG-UHFFFAOYSA-N 0 0 441.391 3.444 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1 ZINC000008722533 556203407 /nfs/dbraw/zinc/20/34/07/556203407.db2.gz MOEWKIQTPKJVMK-UHFFFAOYSA-N 0 0 427.453 3.407 50 0 IGAARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1cccc(Cl)c1Cl ZINC000008748178 556210026 /nfs/dbraw/zinc/21/00/26/556210026.db2.gz NYIHORJUBZLXER-ZDUSSCGKSA-N 0 0 426.252 3.085 50 0 biogenic,in-vitro IGAARN CC[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 ZINC000008927512 556234792 /nfs/dbraw/zinc/23/47/92/556234792.db2.gz ZUUUNDIVRCENPK-AEFFLSMTSA-N 0 0 428.872 3.038 50 0 IGAARN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000008927576 556235126 /nfs/dbraw/zinc/23/51/26/556235126.db2.gz NBRWMIYVXFIUOB-CQSZACIVSA-N 0 0 449.290 3.221 50 0 IGAARN Cn1c2cc(Cl)c(S(=O)(=O)NCCOc3ccc4ccccc4c3)cc2oc1=O ZINC000008971567 556237666 /nfs/dbraw/zinc/23/76/66/556237666.db2.gz SUIDLILISLCHFM-UHFFFAOYSA-N 0 0 432.885 3.295 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F ZINC000008995456 556239416 /nfs/dbraw/zinc/23/94/16/556239416.db2.gz HCCSUHAPCMJJBL-UHFFFAOYSA-N 0 0 429.473 3.350 50 0 IGAARN C[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)OC12CC3CC(CC(C3)C1)C2 ZINC000009031702 556242043 /nfs/dbraw/zinc/24/20/43/556242043.db2.gz XFZNDMFDQTZJIN-LXGFQCHUSA-N 0 0 432.586 3.466 50 0 IGAARN COc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)cc(OC)c1OC ZINC000009088248 556245855 /nfs/dbraw/zinc/24/58/55/556245855.db2.gz LLZMDUPKZYHKIU-UHFFFAOYSA-N 0 0 443.529 3.032 50 0 IGAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)CC2=O)cc1 ZINC000009191042 556253463 /nfs/dbraw/zinc/25/34/63/556253463.db2.gz CJHRAMJCLPCDKP-NRFANRHFSA-N 0 0 431.536 3.176 50 0 IGAARN Cc1c(C)n(-c2ccccc2O)c2nc3c(c(=O)n(C/C=C\c4ccccc4)c(=O)n3C)n12 ZINC000097595376 556261713 /nfs/dbraw/zinc/26/17/13/556261713.db2.gz XBZYDBQJHALKOV-XFXZXTDPSA-N 0 0 441.491 3.174 50 0 IGAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009238968 556265280 /nfs/dbraw/zinc/26/52/80/556265280.db2.gz RSQXDNPCPXAILW-OALUTQOASA-N 0 0 425.514 3.392 50 0 IGAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009238965 556265303 /nfs/dbraw/zinc/26/53/03/556265303.db2.gz RSQXDNPCPXAILW-RTBURBONSA-N 0 0 425.514 3.392 50 0 IGAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000009260954 556268690 /nfs/dbraw/zinc/26/86/90/556268690.db2.gz WQZMKXMSDSRIKD-OTIXFSKASA-N 0 0 430.276 3.064 50 0 IGAARN COC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000009261116 556268955 /nfs/dbraw/zinc/26/89/55/556268955.db2.gz MVRATAQTTLPMIV-YBFXNURJSA-N 0 0 449.488 3.489 50 0 IGAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 ZINC000009296111 556275222 /nfs/dbraw/zinc/27/52/22/556275222.db2.gz YWGHAXYHJDTODZ-BOPFTXTBSA-N 0 0 444.896 3.274 50 0 IGAARN CC(C)C(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@H]1COc3ccccc3O1)n2C ZINC000013686763 556276658 /nfs/dbraw/zinc/27/66/58/556276658.db2.gz CXZJBFIBJRHTEZ-OAQYLSRUSA-N 0 0 436.512 3.057 50 0 IGAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000009306498 556276924 /nfs/dbraw/zinc/27/69/24/556276924.db2.gz GBQWNNRCIGAIBY-QZTJIDSGSA-N 0 0 425.554 3.316 50 0 IGAARN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000013688164 556277828 /nfs/dbraw/zinc/27/78/28/556277828.db2.gz AKFBAWKBTUMAAZ-UHFFFAOYSA-N 0 0 429.376 3.122 50 0 IGAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000013691722 556281038 /nfs/dbraw/zinc/28/10/38/556281038.db2.gz LMKKKJOECICNOX-QGZVFWFLSA-N 0 0 441.509 3.179 50 0 IGAARN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000009323997 556281764 /nfs/dbraw/zinc/28/17/64/556281764.db2.gz NUBDFQMSADCDQV-RQZCQDPDSA-N 0 0 432.885 3.449 50 0 IGAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711430 556284160 /nfs/dbraw/zinc/28/41/60/556284160.db2.gz MFKKEGBQIYDQRN-FQEVSTJZSA-N 0 0 429.542 3.106 50 0 IGAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000009426534 556290210 /nfs/dbraw/zinc/29/02/10/556290210.db2.gz LNPVHALTJMWCTN-SJORKVTESA-N 0 0 429.542 3.063 50 0 IGAARN COc1cc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)cc(OC)c1OC ZINC000009451701 556292771 /nfs/dbraw/zinc/29/27/71/556292771.db2.gz ZMOOOEJTPYDNBC-UHFFFAOYSA-N 0 0 426.454 3.058 50 0 IGAARN COc1ccc2[nH]cc(CCn3ccc4c(cnc5nc(-c6cccnc6)nn54)c3=O)c2c1 ZINC000013726308 556293220 /nfs/dbraw/zinc/29/32/20/556293220.db2.gz NXNQKZMZEDDVSN-UHFFFAOYSA-N 0 0 437.463 3.234 50 0 IGAARN O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000013730966 556295535 /nfs/dbraw/zinc/29/55/35/556295535.db2.gz PIKJQSKKPHRDJU-UHFFFAOYSA-N 0 0 448.350 3.278 50 0 IGAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000032740514 556301744 /nfs/dbraw/zinc/30/17/44/556301744.db2.gz RTVYZSKNWZAOCC-QGZVFWFLSA-N 0 0 438.571 3.475 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032741770 556303677 /nfs/dbraw/zinc/30/36/77/556303677.db2.gz MCCKGEAAVYZLGN-OWLPCRIASA-N 0 0 449.551 3.160 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O ZINC000032741935 556304082 /nfs/dbraw/zinc/30/40/82/556304082.db2.gz DPIYQBSQDCIVQI-UHFFFAOYSA-N 0 0 445.932 3.132 50 0 IGAARN CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000032738608 556308599 /nfs/dbraw/zinc/30/85/99/556308599.db2.gz LLDSQJIZNGFSDD-UHFFFAOYSA-N 0 0 434.514 3.192 50 0 IGAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21)NC1CCCCCCC1 ZINC000009830637 556311427 /nfs/dbraw/zinc/31/14/27/556311427.db2.gz BPOWOFIKRFBOQL-UHFFFAOYSA-N 0 0 449.573 3.045 50 0 IGAARN COC(=O)c1ccc([C@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)cc1 ZINC000009905528 556316058 /nfs/dbraw/zinc/31/60/58/556316058.db2.gz SATFVVBZIDSJTK-FQEVSTJZSA-N 0 0 449.467 3.010 50 0 IGAARN CCOc1cccc(C(=O)Nc2cccc(C(=O)NN3C(=O)c4ccccc4C3=O)c2)c1 ZINC000013838519 556317303 /nfs/dbraw/zinc/31/73/03/556317303.db2.gz HRIGJEIJADWFEG-UHFFFAOYSA-N 0 0 429.432 3.279 50 0 IGAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCOC)cc1 ZINC000009934044 556317564 /nfs/dbraw/zinc/31/75/64/556317564.db2.gz CYZZVSTVAFLOTA-FQEVSTJZSA-N 0 0 443.475 3.427 50 0 IGAARN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013856705 556321481 /nfs/dbraw/zinc/32/14/81/556321481.db2.gz JDKZJMMCRGFCAI-OAHLLOKOSA-N 0 0 449.290 3.221 50 0 IGAARN CCS(=O)(=O)N1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000032754713 556324096 /nfs/dbraw/zinc/32/40/96/556324096.db2.gz KQBHSPADDSNOTK-UHFFFAOYSA-N 0 0 432.508 3.448 50 0 IGAARN CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 ZINC000032755275 556324306 /nfs/dbraw/zinc/32/43/06/556324306.db2.gz IRAGMYTUMNWKSK-UHFFFAOYSA-N 0 0 436.489 3.310 50 0 IGAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032754936 556324349 /nfs/dbraw/zinc/32/43/49/556324349.db2.gz PHWMOIHHIOXOFT-HNNXBMFYSA-N 0 0 428.535 3.141 50 0 IGAARN COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)s2)cc1 ZINC000010060218 556324659 /nfs/dbraw/zinc/32/46/59/556324659.db2.gz BFZXFPMQTWJWCY-OAHLLOKOSA-N 0 0 438.509 3.138 50 0 IGAARN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000013880510 556325914 /nfs/dbraw/zinc/32/59/14/556325914.db2.gz SDKINQNKZAKGDS-UHFFFAOYSA-N 0 0 432.542 3.001 50 0 IGAARN CCn1c(SCC(=O)Nc2ccc(OC)c(NC(C)=O)c2)nnc1-c1cccnc1 ZINC000010231027 556327496 /nfs/dbraw/zinc/32/74/96/556327496.db2.gz YQKXZVMTSXTXQW-UHFFFAOYSA-N 0 0 426.502 3.058 50 0 IGAARN CC(C)(C)[C@@H](NC(=O)C1(NC=O)CCCC1)[C@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000013896031 556329343 /nfs/dbraw/zinc/32/93/43/556329343.db2.gz DRULLABBRXXWRQ-ROUUACIJSA-N 0 0 433.940 3.099 50 0 IGAARN CCN1C[C@@H](CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)Oc2ccccc21 ZINC000032778025 556331255 /nfs/dbraw/zinc/33/12/55/556331255.db2.gz DNMHAASQYYMEBZ-OAHLLOKOSA-N 0 0 438.553 3.072 50 0 IGAARN O=C(Cn1ncc2ccccc2c1=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000032764599 556331907 /nfs/dbraw/zinc/33/19/07/556331907.db2.gz QURIVDNCASJVGQ-UHFFFAOYSA-N 0 0 431.492 3.022 50 0 IGAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)s1 ZINC000032768611 556333503 /nfs/dbraw/zinc/33/35/03/556333503.db2.gz CUFZJLKRAWGMQY-FQEVSTJZSA-N 0 0 449.532 3.243 50 0 IGAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(C(C)(C)C)s4)CC3=O)c2c1 ZINC000013944691 556342013 /nfs/dbraw/zinc/34/20/13/556342013.db2.gz 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CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1 ZINC000013137752 556484396 /nfs/dbraw/zinc/48/43/96/556484396.db2.gz KZMGZAMDJBWKFO-HNNXBMFYSA-N 0 0 446.507 3.365 50 0 IGAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000013145405 556487598 /nfs/dbraw/zinc/48/75/98/556487598.db2.gz IYZXDHAEYRHHTI-HDICACEKSA-N 0 0 444.553 3.173 50 0 IGAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029990854 556488570 /nfs/dbraw/zinc/48/85/70/556488570.db2.gz HTAAKEJETUJRRP-SFHVURJKSA-N 0 0 437.525 3.279 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc3cc(O)ccc23)c1 ZINC000013148780 556490264 /nfs/dbraw/zinc/49/02/64/556490264.db2.gz QUBVZVTYRRPIQS-UHFFFAOYSA-N 0 0 432.498 3.359 50 0 IGAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000013149538 556491410 /nfs/dbraw/zinc/49/14/10/556491410.db2.gz ZCVUTTKZSPXHQF-UHFFFAOYSA-N 0 0 430.526 3.274 50 0 IGAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000030257073 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ZINC000017053862 556654567 /nfs/dbraw/zinc/65/45/67/556654567.db2.gz VYRIGTQZCKLFLG-UHFFFAOYSA-N 0 0 430.913 3.346 50 0 IGAARN O=c1n2ccccc2nn1Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000032926254 556655405 /nfs/dbraw/zinc/65/54/05/556655405.db2.gz FBMIMSNTHRWTKY-UHFFFAOYSA-N 0 0 432.505 3.273 50 0 IGAARN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000032927336 556656064 /nfs/dbraw/zinc/65/60/64/556656064.db2.gz PYXIOXFBQGRSBX-ROUUACIJSA-N 0 0 437.519 3.259 50 0 IGAARN COc1ccc(NC(C)=O)cc1NC(=O)CCCSc1ccc(NC(=O)C2CC2)nn1 ZINC000011793972 556656241 /nfs/dbraw/zinc/65/62/41/556656241.db2.gz XQEQGCGQDNRDNH-UHFFFAOYSA-N 0 0 443.529 3.303 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000100739592 556658506 /nfs/dbraw/zinc/65/85/06/556658506.db2.gz AFWBWXQHEHEVKX-NVXWUHKLSA-N 0 0 446.688 3.426 50 0 IGAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cc3)n2C)s1 ZINC000017097674 556662005 /nfs/dbraw/zinc/66/20/05/556662005.db2.gz SFTSZVZOXGEREZ-UHFFFAOYSA-N 0 0 431.591 3.473 50 0 IGAARN COc1cccc(COc2coc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2=O)c1 ZINC000011856952 556662393 /nfs/dbraw/zinc/66/23/93/556662393.db2.gz IZXKMGHKWRVIIY-UHFFFAOYSA-N 0 0 439.464 3.217 50 0 IGAARN Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c(C)c1 ZINC000011858132 556663249 /nfs/dbraw/zinc/66/32/49/556663249.db2.gz CJQLVKAYOYSTIV-UHFFFAOYSA-N 0 0 436.555 3.096 50 0 IGAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c(Cl)c1 ZINC000011905002 556670914 /nfs/dbraw/zinc/67/09/14/556670914.db2.gz OCJBAFMKODRYKF-CYBMUJFWSA-N 0 0 442.946 3.070 50 0 IGAARN COc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F ZINC000032929811 556672829 /nfs/dbraw/zinc/67/28/29/556672829.db2.gz JYXRTQIRIBQFQO-ZDUSSCGKSA-N 0 0 425.453 3.189 50 0 IGAARN Cc1sc2nc(CN3CCOCC3)nc(NCCCN(C)CC(F)(F)F)c2c1C ZINC000032932639 556675889 /nfs/dbraw/zinc/67/58/89/556675889.db2.gz VKDCWEKGAYRZTD-UHFFFAOYSA-N 0 0 431.528 3.436 50 0 IGAARN COc1ccccc1CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000248249138 556677540 /nfs/dbraw/zinc/67/75/40/556677540.db2.gz OFYGUPLPQAKTTG-OALUTQOASA-N 0 0 444.475 3.163 50 0 IGAARN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011997016 556679080 /nfs/dbraw/zinc/67/90/80/556679080.db2.gz YPZBJOHEWLPVQJ-IBGZPJMESA-N 0 0 439.537 3.191 50 0 IGAARN COC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325469 556679822 /nfs/dbraw/zinc/67/98/22/556679822.db2.gz JHIWMFGHAZWHOQ-OAHLLOKOSA-N 0 0 445.522 3.010 50 0 IGAARN Cc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)c1C ZINC000013517741 556681844 /nfs/dbraw/zinc/68/18/44/556681844.db2.gz OYLRXXYFTBNJIJ-CQSZACIVSA-N 0 0 443.550 3.308 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccc(-n3ccnc3)cc2)cc1 ZINC000072312600 556687616 /nfs/dbraw/zinc/68/76/16/556687616.db2.gz JAISFQWIJNNQAT-NRFANRHFSA-N 0 0 425.510 3.077 50 0 IGAARN O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000018250434 556688185 /nfs/dbraw/zinc/68/81/85/556688185.db2.gz FDAZJJPNEHJHAO-SFHVURJKSA-N 0 0 432.293 3.042 50 0 IGAARN C[C@@H](CC(=O)NCc1ccc(F)cc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005498 556689576 /nfs/dbraw/zinc/68/95/76/556689576.db2.gz ZXHUNNQYNUMHPN-OAHLLOKOSA-N 0 0 437.450 3.044 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136603057 556690103 /nfs/dbraw/zinc/69/01/03/556690103.db2.gz QJSXYMDBXXURBE-MSZDEVHKSA-N 0 0 429.520 3.149 50 0 IGAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000046141274 556692526 /nfs/dbraw/zinc/69/25/26/556692526.db2.gz FNJFCRUIVSDHBG-UHFFFAOYSA-N 0 0 447.538 3.301 50 0 IGAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000046141346 556692778 /nfs/dbraw/zinc/69/27/78/556692778.db2.gz UCZTVJVSOFCHGA-UHFFFAOYSA-N 0 0 425.919 3.448 50 0 IGAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033024560 556695908 /nfs/dbraw/zinc/69/59/08/556695908.db2.gz HSHRMKHWSHTKME-GFCCVEGCSA-N 0 0 449.964 3.211 50 0 IGAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)s2)cc1 ZINC000033024704 556697006 /nfs/dbraw/zinc/69/70/06/556697006.db2.gz SQMCATQERHHBMQ-HNNXBMFYSA-N 0 0 441.557 3.010 50 0 IGAARN CCCCNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024854 556697880 /nfs/dbraw/zinc/69/78/80/556697880.db2.gz RHVBJCMGZSYNIR-UHFFFAOYSA-N 0 0 443.573 3.257 50 0 IGAARN CN(C)[C@H](CNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1Cl ZINC000033028466 556708976 /nfs/dbraw/zinc/70/89/76/556708976.db2.gz YZJCLHYZEHWJMU-OAQYLSRUSA-N 0 0 426.948 3.476 50 0 IGAARN COc1ccc(C2=NO[C@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@H]54)[C@@H]23)c(OC)c1 ZINC000013683572 556711115 /nfs/dbraw/zinc/71/11/15/556711115.db2.gz FNOJKBLDTYSVEE-NCQWMMPDSA-N 0 0 446.503 3.495 50 0 IGAARN CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cc(C)n(CC)n3)nc21 ZINC000013703093 556713569 /nfs/dbraw/zinc/71/35/69/556713569.db2.gz QNBHLAHLDNQLFH-UHFFFAOYSA-N 0 0 427.574 3.363 50 0 IGAARN O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086176 556714501 /nfs/dbraw/zinc/71/45/01/556714501.db2.gz PJQOKWTWWCTHBI-UHFFFAOYSA-N 0 0 432.867 3.348 50 0 IGAARN O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(Br)cc1 ZINC000072328253 556724557 /nfs/dbraw/zinc/72/45/57/556724557.db2.gz LJOONQPAOYXSAD-UHFFFAOYSA-N 0 0 428.080 3.080 50 0 IGAARN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)CC2)c(C)c1 ZINC000072328331 556725185 /nfs/dbraw/zinc/72/51/85/556725185.db2.gz HJEPBZJVXINLCQ-IBGZPJMESA-N 0 0 447.626 3.114 50 0 IGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)n2)cc1OC ZINC000061719211 556726014 /nfs/dbraw/zinc/72/60/14/556726014.db2.gz GOBVWWNMZHDJFG-UHFFFAOYSA-N 0 0 440.525 3.292 50 0 IGAARN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cc(F)cc12 ZINC000072328785 556726466 /nfs/dbraw/zinc/72/64/66/556726466.db2.gz IMDQYLYGGLBTQV-UHFFFAOYSA-N 0 0 437.471 3.378 50 0 IGAARN CC(C)c1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000061719704 556726632 /nfs/dbraw/zinc/72/66/32/556726632.db2.gz PFAREONCPWINRS-ZDUSSCGKSA-N 0 0 436.969 3.174 50 0 IGAARN COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc(OC)c1OC ZINC000072330838 556728356 /nfs/dbraw/zinc/72/83/56/556728356.db2.gz JKHGTNMDRDQGIQ-FNORWQNLSA-N 0 0 437.851 3.378 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1C ZINC000072331038 556728641 /nfs/dbraw/zinc/72/86/41/556728641.db2.gz VTYOWCAEMKCMNR-UHFFFAOYSA-N 0 0 439.249 3.469 50 0 IGAARN COc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)c1 ZINC000054274435 556729905 /nfs/dbraw/zinc/72/99/05/556729905.db2.gz SKMLBCXRWUYSES-UHFFFAOYSA-N 0 0 425.924 3.182 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000033040224 556732068 /nfs/dbraw/zinc/73/20/68/556732068.db2.gz PUYLJRSARHHJSB-SFHVURJKSA-N 0 0 428.964 3.326 50 0 IGAARN Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H]4CCS(=O)(=O)C4)c(=O)oc3c2C)c1C ZINC000079193026 556738408 /nfs/dbraw/zinc/73/84/08/556738408.db2.gz ILLQTIDPBPZZNU-OAHLLOKOSA-N 0 0 431.510 3.009 50 0 IGAARN CCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033043159 556740486 /nfs/dbraw/zinc/74/04/86/556740486.db2.gz WUMUSMBWSYBNNI-UHFFFAOYSA-N 0 0 435.436 3.274 50 0 IGAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NCCCSc2ccccc2)C1=O ZINC000019355404 556745198 /nfs/dbraw/zinc/74/51/98/556745198.db2.gz UZYGPARIHQOCFA-OAQYLSRUSA-N 0 0 433.480 3.030 50 0 IGAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019363102 556745687 /nfs/dbraw/zinc/74/56/87/556745687.db2.gz ZVAGYYMRMYJSOW-NRFANRHFSA-N 0 0 426.557 3.270 50 0 IGAARN COc1cc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc(OC)c1Br ZINC000060362523 556747257 /nfs/dbraw/zinc/74/72/57/556747257.db2.gz WVPBZAHFOXHYMQ-HNNXBMFYSA-N 0 0 431.290 3.229 50 0 IGAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)Nc1ccc2c(c1)OCCO2 ZINC000057487039 556747896 /nfs/dbraw/zinc/74/78/96/556747896.db2.gz RIGQKTWPJFQPTL-UHFFFAOYSA-N 0 0 446.419 3.344 50 0 IGAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000000899772 556748416 /nfs/dbraw/zinc/74/84/16/556748416.db2.gz KFCAYWMYUVHBAC-UHFFFAOYSA-N 0 0 440.521 3.004 50 0 biogenic,in-vitro IGAARN COCCn1ccc2c1cccc2C(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000206242843 556749512 /nfs/dbraw/zinc/74/95/12/556749512.db2.gz QULXXQGTSBWGJD-OAQYLSRUSA-N 0 0 432.480 3.097 50 0 IGAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)sc2C1 ZINC000058110397 556759034 /nfs/dbraw/zinc/75/90/34/556759034.db2.gz XFSUQCOQVPWDEU-UHFFFAOYSA-N 0 0 445.545 3.253 50 0 IGAARN COc1ccc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=S)n2C(C)C)cc1 ZINC000058124762 556759675 /nfs/dbraw/zinc/75/96/75/556759675.db2.gz UVIJQQXZUUOHTF-UHFFFAOYSA-N 0 0 425.562 3.240 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)n1 ZINC000011171084 556761452 /nfs/dbraw/zinc/76/14/52/556761452.db2.gz SYBCPOCEQBIZPS-UHFFFAOYSA-N 0 0 432.889 3.009 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000058160471 556764437 /nfs/dbraw/zinc/76/44/37/556764437.db2.gz ABKIPHHOAWAWRV-MRXNPFEDSA-N 0 0 444.557 3.049 50 0 IGAARN O=C(CSCc1cccnc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000058166562 556766794 /nfs/dbraw/zinc/76/67/94/556766794.db2.gz OCBYRKPEOBHXCE-UHFFFAOYSA-N 0 0 426.405 3.483 50 0 IGAARN Cc1ccc(OCc2nnc(SCC(=O)N(C)Cc3ccccc3C)n2N)c(C)c1 ZINC000005321098 556766922 /nfs/dbraw/zinc/76/69/22/556766922.db2.gz OPSLDIUWSOKGSW-UHFFFAOYSA-N 0 0 425.558 3.247 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000058296638 556778014 /nfs/dbraw/zinc/77/80/14/556778014.db2.gz ZVAUHFYBDMHRQX-MRXNPFEDSA-N 0 0 426.391 3.444 50 0 IGAARN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 ZINC000058330329 556781235 /nfs/dbraw/zinc/78/12/35/556781235.db2.gz SZJYBNWAZAVVHP-GGAORHGYSA-N 0 0 435.568 3.183 50 0 IGAARN NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000058404289 556785677 /nfs/dbraw/zinc/78/56/77/556785677.db2.gz JQAWVYYDGGPSEV-UHFFFAOYSA-N 0 0 433.327 3.279 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COc1ccccc1N1C(=S)N[C@H](c2ccsc2)C(C(=O)N2CCOCC2)=C1C ZINC000003335791 556812777 /nfs/dbraw/zinc/81/27/77/556812777.db2.gz AUROMQBNLABQDJ-LJQANCHMSA-N 0 0 429.567 3.325 50 0 IGAARN CCOc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000097943832 556814559 /nfs/dbraw/zinc/81/45/59/556814559.db2.gz UTHHDCLRKLXDMM-QHCPKHFHSA-N 0 0 441.915 3.466 50 0 IGAARN Cc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000003425683 556815246 /nfs/dbraw/zinc/81/52/46/556815246.db2.gz CHUYAEXWJVDDKF-UHFFFAOYSA-N 0 0 444.553 3.033 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)c(Cl)c1 ZINC000003489125 556816775 /nfs/dbraw/zinc/81/67/75/556816775.db2.gz HNQYGSGGLBSXDH-IBGZPJMESA-N 0 0 438.933 3.133 50 0 IGAARN COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000003556679 556817591 /nfs/dbraw/zinc/81/75/91/556817591.db2.gz CZKFJAYVPCCIAY-FMIVXFBMSA-N 0 0 436.533 3.395 50 0 IGAARN CSCC[C@H](NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C)c1nnc2ccccn21 ZINC000005483875 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COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)nn1 ZINC000023143264 557025327 /nfs/dbraw/zinc/02/53/27/557025327.db2.gz XXQNVUDGHXONBY-UHFFFAOYSA-N 0 0 431.496 3.106 50 0 IGAARN COc1cc(OC)c(NC(=O)Cn2cnc3c4cccnc4sc3c2=O)cc1Cl ZINC000046053297 557026385 /nfs/dbraw/zinc/02/63/85/557026385.db2.gz VAHIPEHUDIIUOK-UHFFFAOYSA-N 0 0 430.873 3.316 50 0 IGAARN Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc3c2=O)nc1 ZINC000032945454 557028704 /nfs/dbraw/zinc/02/87/04/557028704.db2.gz UDSKXJLIBNUGDK-UHFFFAOYSA-N 0 0 433.518 3.451 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812645 557029551 /nfs/dbraw/zinc/02/95/51/557029551.db2.gz ZOPABAWPBABZEI-CYBMUJFWSA-N 0 0 442.946 3.355 50 0 IGAARN CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(=O)N2 ZINC000046073826 557030126 /nfs/dbraw/zinc/03/01/26/557030126.db2.gz AHCOIMUSEKHGPT-SSDOTTSWSA-N 0 0 432.811 3.229 50 0 IGAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046074083 557030303 /nfs/dbraw/zinc/03/03/03/557030303.db2.gz RENFXVHNTPDNSE-NSHDSACASA-N 0 0 426.420 3.355 50 0 IGAARN CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000011273889 557032752 /nfs/dbraw/zinc/03/27/52/557032752.db2.gz NHBGRSIZWWTLRE-UHFFFAOYSA-N 0 0 426.523 3.346 50 0 IGAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cccc(C(C)=O)c2)c1=O ZINC000046079216 557034009 /nfs/dbraw/zinc/03/40/09/557034009.db2.gz XIPWRHMXXNCWOQ-UHFFFAOYSA-N 0 0 438.871 3.363 50 0 IGAARN CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000010850159 557035301 /nfs/dbraw/zinc/03/53/01/557035301.db2.gz ZEKPDESVEMTLKK-UHFFFAOYSA-N 0 0 447.944 3.293 50 0 IGAARN O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000017192053 557037155 /nfs/dbraw/zinc/03/71/55/557037155.db2.gz CIOZMFBKJPPJRM-UHFFFAOYSA-N 0 0 434.315 3.263 50 0 IGAARN COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Br)c1O ZINC000022779363 557042553 /nfs/dbraw/zinc/04/25/53/557042553.db2.gz KQKNITOWGHVQOH-UHFFFAOYSA-N 0 0 435.318 3.210 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(SCc2nc(-c3ccccc3OC)no2)nc1 ZINC000010865344 557044007 /nfs/dbraw/zinc/04/40/07/557044007.db2.gz WLMKBGLBRGAYHE-UHFFFAOYSA-N 0 0 434.543 3.463 50 0 IGAARN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)n(C)c(=O)n2C ZINC000046146161 557044222 /nfs/dbraw/zinc/04/42/22/557044222.db2.gz HZKCOVDWJLDUFL-UHFFFAOYSA-N 0 0 435.933 3.357 50 0 IGAARN Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccccc2)n(C)c(=O)n3C)cc1 ZINC000046145965 557044231 /nfs/dbraw/zinc/04/42/31/557044231.db2.gz FBGFMOOPZGJSDD-UHFFFAOYSA-N 0 0 435.505 3.271 50 0 IGAARN COc1ccc(CN2CCN(CC(=O)N3CCC[C@H]3c3cccs3)CC2)cc1OC ZINC000022922088 557047784 /nfs/dbraw/zinc/04/77/84/557047784.db2.gz QCLXTFLIEXYDRI-IBGZPJMESA-N 0 0 429.586 3.247 50 0 IGAARN Cc1nc(NC(=O)c2ccccc2S(C)(=O)=O)sc1Cc1ccc2c(c1)OCO2 ZINC000022925394 557048559 /nfs/dbraw/zinc/04/85/59/557048559.db2.gz ZWSIHVONMLTGHQ-UHFFFAOYSA-N 0 0 430.507 3.427 50 0 IGAARN Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000048262135 557049472 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Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)cc1C ZINC000033275906 557055745 /nfs/dbraw/zinc/05/57/45/557055745.db2.gz ATJSTPQBTOKQEJ-UHFFFAOYSA-N 0 0 428.558 3.021 50 0 IGAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000033276218 557055904 /nfs/dbraw/zinc/05/59/04/557055904.db2.gz RGYYLQCCXGAGLE-ZDUSSCGKSA-N 0 0 444.488 3.367 50 0 IGAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)c(C)c1 ZINC000033277132 557058083 /nfs/dbraw/zinc/05/80/83/557058083.db2.gz SHXGUVCFUGRAPJ-UHFFFAOYSA-N 0 0 439.585 3.319 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000023053396 557059841 /nfs/dbraw/zinc/05/98/41/557059841.db2.gz SZPREEZNGIBDHQ-MRXNPFEDSA-N 0 0 435.977 3.446 50 0 IGAARN Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)co2)cc1 ZINC000023055287 557060771 /nfs/dbraw/zinc/06/07/71/557060771.db2.gz CXMMQJNRDMRWKN-UHFFFAOYSA-N 0 0 431.539 3.358 50 0 IGAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000048312046 557061308 /nfs/dbraw/zinc/06/13/08/557061308.db2.gz WXNBBNSRXXDIFJ-HXUWFJFHSA-N 0 0 434.475 3.452 50 0 IGAARN CCOC(=O)C[C@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)c1ccccc1 ZINC000033280308 557062820 /nfs/dbraw/zinc/06/28/20/557062820.db2.gz HRFFFXQRAHTXBQ-IBGZPJMESA-N 0 0 428.558 3.129 50 0 IGAARN Cc1cccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)c1 ZINC000033283867 557063218 /nfs/dbraw/zinc/06/32/18/557063218.db2.gz WTNSEPNHPLYBLP-UHFFFAOYSA-N 0 0 435.509 3.193 50 0 IGAARN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000017357985 557063855 /nfs/dbraw/zinc/06/38/55/557063855.db2.gz SUAMRJUYQGLTNA-UHFFFAOYSA-N 0 0 427.961 3.232 50 0 IGAARN O=C(CSc1nnc2ccc(C(=O)NCc3ccccc3)cn21)NCc1ccc(F)cc1 ZINC000033284554 557063909 /nfs/dbraw/zinc/06/39/09/557063909.db2.gz CWDLTTJWZUDKOW-UHFFFAOYSA-N 0 0 449.511 3.207 50 0 IGAARN CCn1c(=O)c2c(nc1SCc1cc(=O)n3ccccc3n1)c1cc(OC)ccc1n2C ZINC000033287547 557064840 /nfs/dbraw/zinc/06/48/40/557064840.db2.gz RTZUDTRRMDLOJN-UHFFFAOYSA-N 0 0 447.520 3.217 50 0 IGAARN CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287495 557064941 /nfs/dbraw/zinc/06/49/41/557064941.db2.gz PWQDGYMJHNOFME-CQSZACIVSA-N 0 0 428.558 3.410 50 0 IGAARN Cc1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)sc1CC(N)=O ZINC000048325793 557066619 /nfs/dbraw/zinc/06/66/19/557066619.db2.gz SDVMZUPBTVUUEB-FQEVSTJZSA-N 0 0 449.598 3.246 50 0 IGAARN C[C@H]1Cc2cc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2N1S(C)(=O)=O ZINC000023134668 557067205 /nfs/dbraw/zinc/06/72/05/557067205.db2.gz GXGBYHCLYOUSOR-ZDUSSCGKSA-N 0 0 427.501 3.216 50 0 IGAARN Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000023144575 557067992 /nfs/dbraw/zinc/06/79/92/557067992.db2.gz NXIWLGZRXAGGSS-UHFFFAOYSA-N 0 0 431.422 3.344 50 0 IGAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000023183737 557071261 /nfs/dbraw/zinc/07/12/61/557071261.db2.gz DJIKRAJXQFCGMB-CRAIPNDOSA-N 0 0 448.972 3.490 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000033289888 557071822 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COc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)cc2c1 ZINC000085811060 557077122 /nfs/dbraw/zinc/07/71/22/557077122.db2.gz TUXREZJVLBOHCS-UHFFFAOYSA-N 0 0 432.274 3.130 50 0 IGAARN COc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000048985854 557082002 /nfs/dbraw/zinc/08/20/02/557082002.db2.gz SKZQJOARHBWAAG-UHFFFAOYSA-N 0 0 432.461 3.321 50 0 IGAARN CN(C)c1nc2ncn3c(SCC(=O)Nc4cccc(Cl)c4F)nnc3c2s1 ZINC000033300880 557083015 /nfs/dbraw/zinc/08/30/15/557083015.db2.gz IMCPIZAIROYLEU-UHFFFAOYSA-N 0 0 437.913 3.323 50 0 IGAARN CCCNC(=O)[C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)C1 ZINC000033302713 557084060 /nfs/dbraw/zinc/08/40/60/557084060.db2.gz LZVXHJGQRHTQAD-INIZCTEOSA-N 0 0 428.533 3.388 50 0 IGAARN O=C(NC[C@H]1CCCO1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006512 557085089 /nfs/dbraw/zinc/08/50/89/557085089.db2.gz XBKLILBJUOWBFR-LJQANCHMSA-N 0 0 433.512 3.310 50 0 IGAARN O=C([C@@H]1CCC(=O)N(CCc2ccccc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023338994 557085518 /nfs/dbraw/zinc/08/55/18/557085518.db2.gz QXDFCANJMZWUOY-VISBSAOHSA-N 0 0 431.580 3.325 50 0 IGAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)s2)c1NC(=O)C1CC1 ZINC000033306632 557085780 /nfs/dbraw/zinc/08/57/80/557085780.db2.gz NMROJXSDZHUNHJ-OWNNVSBGSA-N 0 0 437.543 3.021 50 0 IGAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccccc3F)cn2CC(=O)N2CCCC2)n1 ZINC000033307534 557086366 /nfs/dbraw/zinc/08/63/66/557086366.db2.gz UZDLRCXVPBDFHT-UHFFFAOYSA-N 0 0 448.545 3.482 50 0 IGAARN Cc1csc(-c2cc(S(=O)(=O)N3CCCCCC3)cn2CC(=O)N2CCCC2)n1 ZINC000033307538 557086412 /nfs/dbraw/zinc/08/64/12/557086412.db2.gz HGFKKXOZOOGYKJ-UHFFFAOYSA-N 0 0 436.603 3.107 50 0 IGAARN CC(C)(C)c1cc(NC(=O)CSc2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000023360992 557088046 /nfs/dbraw/zinc/08/80/46/557088046.db2.gz RMMCIXAWVGXHKU-AWEZNQCLSA-N 0 0 425.551 3.410 50 0 IGAARN COc1ccc(OCc2noc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000049027639 557088338 /nfs/dbraw/zinc/08/83/38/557088338.db2.gz MFNODUGCQLHDOK-UHFFFAOYSA-N 0 0 429.498 3.015 50 0 IGAARN CCO[C@@H](CC)C(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000060031966 557091021 /nfs/dbraw/zinc/09/10/21/557091021.db2.gz BKWZKYGVXNIQCE-FQEVSTJZSA-N 0 0 436.512 3.490 50 0 IGAARN O=C(c1cccnc1Cl)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000033310399 557093239 /nfs/dbraw/zinc/09/32/39/557093239.db2.gz FBUNZGRMJOPPMM-UHFFFAOYSA-N 0 0 443.931 3.139 50 0 IGAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)n1nc(-c3ccc(F)cc3)ccc1=O)CC2 ZINC000049059832 557093673 /nfs/dbraw/zinc/09/36/73/557093673.db2.gz AOPSCUCPZVJDCD-OAHLLOKOSA-N 0 0 437.471 3.213 50 0 IGAARN CCSc1nnc(NC(=O)CCCn2nc(-c3ccc(OC)cc3)ccc2=O)s1 ZINC000049342695 557094341 /nfs/dbraw/zinc/09/43/41/557094341.db2.gz XYZIWWRIJBOQGK-UHFFFAOYSA-N 0 0 431.543 3.301 50 0 IGAARN CCCCc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1 ZINC000049400178 557095691 /nfs/dbraw/zinc/09/56/91/557095691.db2.gz SWDYXUSLMOIBBL-QZTJIDSGSA-N 0 0 436.560 3.355 50 0 IGAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3cc(C)ccc3C)ncn2)CC1 ZINC000049402045 557097697 /nfs/dbraw/zinc/09/76/97/557097697.db2.gz UDMOTTOSKYAHQV-UHFFFAOYSA-N 0 0 427.574 3.177 50 0 IGAARN CC(C)NC(=O)Cn1c(=O)c2oc3ccccc3c2n(Cc2cccc(Cl)c2)c1=O ZINC000049402418 557097940 /nfs/dbraw/zinc/09/79/40/557097940.db2.gz IVOHMIVETXQNBQ-UHFFFAOYSA-N 0 0 425.872 3.136 50 0 IGAARN COc1cccc(CN2N=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(C)cc32)c1 ZINC000049402704 557098209 /nfs/dbraw/zinc/09/82/09/557098209.db2.gz PJYVFNSDRLLIGF-UHFFFAOYSA-N 0 0 441.553 3.370 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1 ZINC000084847574 557099227 /nfs/dbraw/zinc/09/92/27/557099227.db2.gz MSFKCXKKEQSELC-UHFFFAOYSA-N 0 0 434.230 3.190 50 0 IGAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCS3)CC2)c1 ZINC000049403690 557099258 /nfs/dbraw/zinc/09/92/58/557099258.db2.gz FDXJWAFDKWHMAF-UHFFFAOYSA-N 0 0 434.565 3.472 50 0 IGAARN O=C(CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)N1CCN(c2ccccc2)CC1 ZINC000049403555 557099284 /nfs/dbraw/zinc/09/92/84/557099284.db2.gz ZNIZMLLSELRHSD-UHFFFAOYSA-N 0 0 449.530 3.404 50 0 IGAARN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCS2)cc1OC ZINC000049403729 557099510 /nfs/dbraw/zinc/09/95/10/557099510.db2.gz ICNJDRJWWHYXJQ-ZDUSSCGKSA-N 0 0 425.510 3.401 50 0 IGAARN CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000049405964 557100946 /nfs/dbraw/zinc/10/09/46/557100946.db2.gz LUDFIROPOCMSBJ-UHFFFAOYSA-N 0 0 433.512 3.009 50 0 IGAARN CCOC(=O)c1cn([C@H](CO)C(C)C)c2cc(F)c(I)cc2c1=O ZINC000085221130 557100940 /nfs/dbraw/zinc/10/09/40/557100940.db2.gz VCHTVAKQQUGTTA-OAHLLOKOSA-N 0 0 447.244 3.111 50 0 IGAARN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cc(C5CC5)n[nH]4)CC3)[nH]n2)cc1C ZINC000049406592 557101862 /nfs/dbraw/zinc/10/18/62/557101862.db2.gz ZXXAEWDPMGHQMA-UHFFFAOYSA-N 0 0 432.528 3.329 50 0 IGAARN COc1cccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)[nH]n2)c1 ZINC000049406566 557101930 /nfs/dbraw/zinc/10/19/30/557101930.db2.gz AMEKWHRLPNLZSL-UHFFFAOYSA-N 0 0 447.539 3.186 50 0 IGAARN Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(N5CCCC5=O)cc4)n3)n2)cc1 ZINC000049407543 557102750 /nfs/dbraw/zinc/10/27/50/557102750.db2.gz VSMXRLKTLIUIEO-UHFFFAOYSA-N 0 0 427.464 3.444 50 0 IGAARN COc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408308 557103070 /nfs/dbraw/zinc/10/30/70/557103070.db2.gz HOOQNVFIPKMMOK-UHFFFAOYSA-N 0 0 430.436 3.412 50 0 IGAARN Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)n1 ZINC000585147446 557104457 /nfs/dbraw/zinc/10/44/57/557104457.db2.gz ZFNUHXDLZWIBQF-CQSZACIVSA-N 0 0 431.436 3.224 50 0 IGAARN CCc1ccccc1NC(=O)CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000017702098 557104741 /nfs/dbraw/zinc/10/47/41/557104741.db2.gz SVZNZLWPMSQRQQ-UHFFFAOYSA-N 0 0 438.553 3.113 50 0 IGAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4cc(F)ccc4F)c(=O)n32)c1 ZINC000049410675 557105828 /nfs/dbraw/zinc/10/58/28/557105828.db2.gz BPWGYFFLAIYYBI-UHFFFAOYSA-N 0 0 438.438 3.477 50 0 IGAARN Cc1cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000049410657 557105892 /nfs/dbraw/zinc/10/58/92/557105892.db2.gz OWLXPSHHGQPVKM-UHFFFAOYSA-N 0 0 432.459 3.062 50 0 IGAARN Cc1ccc(N2CN(CC(=O)N(C)C3CCCCC3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411447 557106651 /nfs/dbraw/zinc/10/66/51/557106651.db2.gz IZATWNQPMTZSKC-UHFFFAOYSA-N 0 0 428.558 3.281 50 0 IGAARN COc1cc(OC)c(OC)cc1CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C ZINC000023694246 557107266 /nfs/dbraw/zinc/10/72/66/557107266.db2.gz NLFQIWOBGOCBBO-UHFFFAOYSA-N 0 0 426.517 3.168 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325467 557107519 /nfs/dbraw/zinc/10/75/19/557107519.db2.gz WHYNRFOIPUBWOC-MRXNPFEDSA-N 0 0 444.538 3.182 50 0 IGAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)N(CCO)Cc4ccccc4)c(C)n3n2)c1 ZINC000086069864 557108056 /nfs/dbraw/zinc/10/80/56/557108056.db2.gz FNHKQYHGJKFHKT-UHFFFAOYSA-N 0 0 429.524 3.280 50 0 IGAARN O=C(Cc1cccc2ccccc21)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148451 557109184 /nfs/dbraw/zinc/10/91/84/557109184.db2.gz CAYPONFNBREJPZ-UHFFFAOYSA-N 0 0 433.430 3.200 50 0 IGAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000049546033 557111527 /nfs/dbraw/zinc/11/15/27/557111527.db2.gz ZELFDCRNAIQFGI-UHFFFAOYSA-N 0 0 429.929 3.135 50 0 IGAARN Cn1cc(C(=O)N2CCN(Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000023736407 557112052 /nfs/dbraw/zinc/11/20/52/557112052.db2.gz BLIBRDQROAVVEJ-UHFFFAOYSA-N 0 0 438.553 3.268 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3[nH]cnc31)C[C@H](C)CC2 ZINC000033328721 557112446 /nfs/dbraw/zinc/11/24/46/557112446.db2.gz KWQNKJMHMDXJLQ-SNVBAGLBSA-N 0 0 431.543 3.447 50 0 IGAARN Cn1nnc(-c2ccc(NC(=O)C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)n1 ZINC000049548786 557112609 /nfs/dbraw/zinc/11/26/09/557112609.db2.gz SAWCYXUJTIXGNG-UHFFFAOYSA-N 0 0 440.507 3.154 50 0 IGAARN C[C@@H]1CN(C(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)CCO1 ZINC000010928627 557115619 /nfs/dbraw/zinc/11/56/19/557115619.db2.gz HWOVZWKILSDTNM-ZCFIWIBFSA-N 0 0 426.083 3.144 50 0 IGAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCCCCC1=O ZINC000023768161 557115707 /nfs/dbraw/zinc/11/57/07/557115707.db2.gz ZLZJGLAEYJUQJT-UHFFFAOYSA-N 0 0 425.485 3.297 50 0 IGAARN Cc1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113562750 557117213 /nfs/dbraw/zinc/11/72/13/557117213.db2.gz KJNUEAPXUZFKJG-HXUWFJFHSA-N 0 0 439.606 3.463 50 0 IGAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000023881346 557122735 /nfs/dbraw/zinc/12/27/35/557122735.db2.gz NUIBPEHBROUYAW-UHFFFAOYSA-N 0 0 433.487 3.234 50 0 IGAARN O=C(c1cccs1)N1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000024668602 557123147 /nfs/dbraw/zinc/12/31/47/557123147.db2.gz RGXTXRASQHXLAA-UHFFFAOYSA-N 0 0 436.562 3.443 50 0 IGAARN COc1ccc(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC ZINC000004790657 557124165 /nfs/dbraw/zinc/12/41/65/557124165.db2.gz UIEOVXGWQVKHJU-UHFFFAOYSA-N 0 0 441.553 3.172 50 0 IGAARN COc1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000017861772 557126942 /nfs/dbraw/zinc/12/69/42/557126942.db2.gz KYJRBWLBVIXTLG-XIGIHCPSSA-N 0 0 439.467 3.493 50 0 IGAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206692606 557128954 /nfs/dbraw/zinc/12/89/54/557128954.db2.gz CKITYVWEFCNLHT-LJQANCHMSA-N 0 0 441.480 3.479 50 0 IGAARN C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000017989417 557136106 /nfs/dbraw/zinc/13/61/06/557136106.db2.gz UDFMQGCVQGCMMD-ZDUSSCGKSA-N 0 0 436.386 3.391 50 0 IGAARN Cc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000000686587 557136511 /nfs/dbraw/zinc/13/65/11/557136511.db2.gz OMGPKVJSLMALAY-UHFFFAOYSA-N 0 0 433.530 3.154 50 0 IGAARN COC(=O)c1ccoc1COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC000024103694 557137307 /nfs/dbraw/zinc/13/73/07/557137307.db2.gz FYQBAMMLFIMWNE-OAHLLOKOSA-N 0 0 435.498 3.295 50 0 IGAARN COC(=O)c1cc(NC(=O)c2cccc(I)c2)cc(C(=O)OC)c1 ZINC000003565652 557138142 /nfs/dbraw/zinc/13/81/42/557138142.db2.gz DFZSMMCSJVMEIM-UHFFFAOYSA-N 0 0 439.205 3.117 50 0 IGAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137243 557138360 /nfs/dbraw/zinc/13/83/60/557138360.db2.gz VATUOOZELZBDCD-XMMPIXPASA-N 0 0 431.536 3.230 50 0 IGAARN Cn1c(SCCS(=O)(=O)c2ccc(Br)cc2)nnc1C(F)(F)F ZINC000011393879 557138923 /nfs/dbraw/zinc/13/89/23/557138923.db2.gz BZCPQKRTYQKAKQ-UHFFFAOYSA-N 0 0 430.271 3.162 50 0 IGAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000024260438 557142429 /nfs/dbraw/zinc/14/24/29/557142429.db2.gz YXXXUBLUOGEBCH-UHFFFAOYSA-N 0 0 428.432 3.003 50 0 IGAARN CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000011411538 557144128 /nfs/dbraw/zinc/14/41/28/557144128.db2.gz RZGAMCPWSCAISW-LLVKDONJSA-N 0 0 444.340 3.049 50 0 IGAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000018006012 557145476 /nfs/dbraw/zinc/14/54/76/557145476.db2.gz YTIDTUOILYJXPV-UHFFFAOYSA-N 0 0 431.895 3.428 50 0 IGAARN C[C@@H]1CCc2nc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)sc2C1 ZINC000011448251 557148747 /nfs/dbraw/zinc/14/87/47/557148747.db2.gz SMVGFDOJZXNMFZ-CYBMUJFWSA-N 0 0 444.582 3.068 50 0 IGAARN O=C(c1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450497 557149075 /nfs/dbraw/zinc/14/90/75/557149075.db2.gz UVMCEQMCXPDNAT-UHFFFAOYSA-N 0 0 429.361 3.094 50 0 IGAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451062 557149517 /nfs/dbraw/zinc/14/95/17/557149517.db2.gz WIHXAHFWEFHKCN-CYBMUJFWSA-N 0 0 428.963 3.138 50 0 IGAARN Cn1c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000719955 557149593 /nfs/dbraw/zinc/14/95/93/557149593.db2.gz COBWBZYKPKXSSH-UHFFFAOYSA-N 0 0 448.266 3.257 50 0 IGAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000011478974 557152241 /nfs/dbraw/zinc/15/22/41/557152241.db2.gz BQDJIHHELYUQND-CHWSQXEVSA-N 0 0 431.489 3.327 50 0 IGAARN COCCn1c2ccccc2nc1SCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000011490134 557153110 /nfs/dbraw/zinc/15/31/10/557153110.db2.gz NJLDCDCHLLAYES-UHFFFAOYSA-N 0 0 441.553 3.377 50 0 IGAARN COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000043957244 557154198 /nfs/dbraw/zinc/15/41/98/557154198.db2.gz LGEIOGGCMOXXJG-UHFFFAOYSA-N 0 0 432.542 3.068 50 0 IGAARN CSCC[C@H](C(=O)NCc1ccc(OC(F)F)cc1)N1C(=O)c2ccccc2C1=O ZINC000011511248 557156521 /nfs/dbraw/zinc/15/65/21/557156521.db2.gz BYGMNZPNMCVYNR-QGZVFWFLSA-N 0 0 434.464 3.322 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000024635741 557156708 /nfs/dbraw/zinc/15/67/08/557156708.db2.gz QBUWMSTVVASJEM-OAHLLOKOSA-N 0 0 444.509 3.050 50 0 IGAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)o2)cs1 ZINC000024638958 557156876 /nfs/dbraw/zinc/15/68/76/557156876.db2.gz NYEJFPZYMRZVFX-CYBMUJFWSA-N 0 0 425.466 3.110 50 0 IGAARN COc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000095545687 557158350 /nfs/dbraw/zinc/15/83/50/557158350.db2.gz RJNYCZHBFPJHGN-IBGZPJMESA-N 0 0 448.441 3.330 50 0 IGAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000095545688 557158482 /nfs/dbraw/zinc/15/84/82/557158482.db2.gz RJNYCZHBFPJHGN-LJQANCHMSA-N 0 0 448.441 3.330 50 0 IGAARN 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IGAARN Cc1cccc(CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)c1 ZINC000008589376 562951232 /nfs/dbraw/zinc/95/12/32/562951232.db2.gz MBDXUKXSFWOLPO-UHFFFAOYSA-N 0 0 439.566 3.246 50 0 IGAARN CCn1c2nnc(CCCC(=O)Nc3ccc(OC)c(OC)c3)n2c2ccsc2c1=O ZINC000008589616 562951257 /nfs/dbraw/zinc/95/12/57/562951257.db2.gz ARXLIBGUBYBFHC-UHFFFAOYSA-N 0 0 441.513 3.104 50 0 IGAARN COc1ccc(-c2nc3scc(CCNC(=O)c4cc(OC)cc(OC)c4)n3n2)cc1 ZINC000008591246 562952012 /nfs/dbraw/zinc/95/20/12/562952012.db2.gz WDWDURDZOBPXEJ-UHFFFAOYSA-N 0 0 438.509 3.456 50 0 IGAARN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000008599000 562954558 /nfs/dbraw/zinc/95/45/58/562954558.db2.gz SUOZGMMUTCKYRQ-UHFFFAOYSA-N 0 0 439.541 3.276 50 0 IGAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1C ZINC000008600255 562954978 /nfs/dbraw/zinc/95/49/78/562954978.db2.gz FSWBOSHIWKIHGQ-NRFANRHFSA-N 0 0 441.553 3.370 50 0 IGAARN NC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000008601647 562955552 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50 0 IGAARN CCOC(=O)/C=C/C(=O)Nc1ccccc1-c1ccccc1NC(=O)/C=C/C(=O)OCC ZINC000008687572 562963084 /nfs/dbraw/zinc/96/30/84/562963084.db2.gz IFBXZGNMQKYVQK-WXUKJITCSA-N 0 0 436.464 3.469 50 0 biogenic,in-vitro IGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008687955 562963131 /nfs/dbraw/zinc/96/31/31/562963131.db2.gz DNSRQCRQLKJUCC-UHFFFAOYSA-N 0 0 435.615 3.275 50 0 IGAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCn4ccnc4)c12)OC(C)(C)CC3 ZINC000008791339 562964233 /nfs/dbraw/zinc/96/42/33/562964233.db2.gz SQWWOLPKBDNQLV-UHFFFAOYSA-N 0 0 439.512 3.241 50 0 IGAARN CSc1nn(CC(=O)Nc2cc(C)ccc2C)c(N)c1S(=O)(=O)c1ccccc1 ZINC000008831240 562965025 /nfs/dbraw/zinc/96/50/25/562965025.db2.gz QUZSDCNLAIRYDE-UHFFFAOYSA-N 0 0 430.555 3.276 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000008881862 562965746 /nfs/dbraw/zinc/96/57/46/562965746.db2.gz NSYWFQWVBJOUSA-UHFFFAOYSA-N 0 0 445.324 3.152 50 0 IGAARN COc1ccc(Cc2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1OC ZINC000008964435 562966291 /nfs/dbraw/zinc/96/62/91/562966291.db2.gz RVLXFEVFKJTWKN-UHFFFAOYSA-N 0 0 445.497 3.424 50 0 IGAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000009033965 562966698 /nfs/dbraw/zinc/96/66/98/562966698.db2.gz PSNJRVIYUQOVPO-MAUKXSAKSA-N 0 0 433.233 3.387 50 0 IGAARN CC(C)NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000009125246 562967436 /nfs/dbraw/zinc/96/74/36/562967436.db2.gz DAKJKQUHLDMCQS-UHFFFAOYSA-N 0 0 449.301 3.148 50 0 IGAARN COc1cc(C(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000009415909 562970422 /nfs/dbraw/zinc/97/04/22/562970422.db2.gz MJXUEVDIJUIIDS-GOSISDBHSA-N 0 0 431.510 3.287 50 0 IGAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009463433 562971507 /nfs/dbraw/zinc/97/15/07/562971507.db2.gz MVROGYSOWSUQAV-UHFFFAOYSA-N 0 0 427.530 3.392 50 0 IGAARN COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCc3cccnc3)s2)CC1=O ZINC000009517929 562972729 /nfs/dbraw/zinc/97/27/29/562972729.db2.gz DKOQYWPXSKZUJH-CQSZACIVSA-N 0 0 441.538 3.226 50 0 IGAARN COc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000009671473 562975138 /nfs/dbraw/zinc/97/51/38/562975138.db2.gz OKSQVKCKXARVIF-UHFFFAOYSA-N 0 0 445.928 3.152 50 0 IGAARN CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677464 562975444 /nfs/dbraw/zinc/97/54/44/562975444.db2.gz BXNFCLORCWACCR-UHFFFAOYSA-N 0 0 444.582 3.141 50 0 IGAARN COc1ccccc1-c1ccc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2n1 ZINC000009829106 562977232 /nfs/dbraw/zinc/97/72/32/562977232.db2.gz VQKFDJAJCNYIRD-UHFFFAOYSA-N 0 0 449.492 3.302 50 0 IGAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000012983298 562983717 /nfs/dbraw/zinc/98/37/17/562983717.db2.gz WDOWIVSWTOMDSB-UHFFFAOYSA-N 0 0 448.445 3.445 50 0 IGAARN COc1ccc2cc(/C=C/C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)ccc2c1 ZINC000013112251 562984477 /nfs/dbraw/zinc/98/44/77/562984477.db2.gz YMTPWQVFHBKZGE-YRNVUSSQSA-N 0 0 435.568 3.408 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2Cl)C[C@H](C)O1 ZINC000013109827 562984504 /nfs/dbraw/zinc/98/45/04/562984504.db2.gz WZWBDWKSBONUIK-KBPBESRZSA-N 0 0 442.990 3.472 50 0 IGAARN COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC ZINC000015635080 563017970 /nfs/dbraw/zinc/01/79/70/563017970.db2.gz QQURPBOTNHUACN-NWANDNLSSA-N 0 0 441.509 3.106 50 0 IGAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(C)cc1 ZINC000015951876 563020293 /nfs/dbraw/zinc/02/02/93/563020293.db2.gz XREGRWFJKOBOJT-JXFKEZNVSA-N 0 0 432.590 3.236 50 0 IGAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000016689926 563021014 /nfs/dbraw/zinc/02/10/14/563021014.db2.gz UDDXAYKPFKKPKL-UHFFFAOYSA-N 0 0 428.872 3.423 50 0 IGAARN Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12 ZINC000045254824 563127109 /nfs/dbraw/zinc/12/71/09/563127109.db2.gz MVPARBNSRQJBEM-HNNXBMFYSA-N 0 0 437.504 3.069 50 0 IGAARN CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cs1 ZINC000055166869 563142408 /nfs/dbraw/zinc/14/24/08/563142408.db2.gz LAQXEYUHTYMFKQ-QGZVFWFLSA-N 0 0 438.956 3.066 50 0 IGAARN O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056946317 563142932 /nfs/dbraw/zinc/14/29/32/563142932.db2.gz GXLXCGNFQFDJEU-NRFANRHFSA-N 0 0 447.507 3.400 50 0 IGAARN O=C(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000033378857 568619039 /nfs/dbraw/zinc/61/90/39/568619039.db2.gz MCJDTUYDKDZHKJ-UHFFFAOYSA-N 0 0 426.314 3.458 50 0 IGAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1cncc(Br)c1 ZINC000018948101 568628997 /nfs/dbraw/zinc/62/89/97/568628997.db2.gz PLBHOCNKBNLENU-UHFFFAOYSA-N 0 0 430.258 3.315 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000015028576 568632955 /nfs/dbraw/zinc/63/29/55/568632955.db2.gz SIPMXLBFBUHLTP-UHFFFAOYSA-N 0 0 442.990 3.316 50 0 IGAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000015041454 568634567 /nfs/dbraw/zinc/63/45/67/568634567.db2.gz ICLLWOPNGDCOEY-UHFFFAOYSA-N 0 0 446.488 3.495 50 0 IGAARN NC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000000901732 568635945 /nfs/dbraw/zinc/63/59/45/568635945.db2.gz QNLKZKBOUMQUJW-UHFFFAOYSA-N 0 0 430.477 3.040 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000000903636 568636270 /nfs/dbraw/zinc/63/62/70/568636270.db2.gz IMGZMBYWLLTIGZ-UHFFFAOYSA-N 0 0 436.489 3.415 50 0 IGAARN O=C(NCc1cccnc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025106810 568636578 /nfs/dbraw/zinc/63/65/78/568636578.db2.gz RXZJKXVNMIUTTN-HXUWFJFHSA-N 0 0 429.480 3.127 50 0 IGAARN COc1ccccc1CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000025117301 568636882 /nfs/dbraw/zinc/63/68/82/568636882.db2.gz GRLPXRODMZHDGS-UHFFFAOYSA-N 0 0 448.401 3.409 50 0 IGAARN CCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC000252489409 568638857 /nfs/dbraw/zinc/63/88/57/568638857.db2.gz JQLGMHZBDYMFAE-UHFFFAOYSA-N 0 0 436.440 3.087 50 0 IGAARN CCN1c2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)c3cccc(c23)C1=O ZINC000000952310 568645523 /nfs/dbraw/zinc/64/55/23/568645523.db2.gz MQYMNPFZURJABI-UHFFFAOYSA-N 0 0 440.521 3.358 50 0 IGAARN Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1 ZINC000000957739 568646079 /nfs/dbraw/zinc/64/60/79/568646079.db2.gz YOJZYEPPODXKFX-UHFFFAOYSA-N 0 0 437.456 3.412 50 0 IGAARN COc1ccccc1[C@H]1NC(=O)N(C)C2=C1C(=O)N(CCC(=O)Nc1ccc(C)c(C)c1)C2 ZINC000034793229 568738114 /nfs/dbraw/zinc/73/81/14/568738114.db2.gz QFJXKWZMKPVFJQ-HSZRJFAPSA-N 0 0 448.523 3.133 50 0 IGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000025613800 568739661 /nfs/dbraw/zinc/73/96/61/568739661.db2.gz HUWZAIOOLFVHCD-QGZVFWFLSA-N 0 0 444.553 3.094 50 0 IGAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCCc1ccc(F)cc1 ZINC000031613996 568741194 /nfs/dbraw/zinc/74/11/94/568741194.db2.gz DONLMCUBTNPSLJ-UHFFFAOYSA-N 0 0 434.496 3.371 50 0 IGAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1cccc(F)c1 ZINC000001890498 568742083 /nfs/dbraw/zinc/74/20/83/568742083.db2.gz LNLZVFVWDLMGPN-OAQYLSRUSA-N 0 0 437.475 3.278 50 0 IGAARN CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)c2snnc2C)s1 ZINC000043939657 568743746 /nfs/dbraw/zinc/74/37/46/568743746.db2.gz MPZVSWJXAICVFI-UHFFFAOYSA-N 0 0 436.544 3.080 50 0 IGAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003265525 568744191 /nfs/dbraw/zinc/74/41/91/568744191.db2.gz XCCCHPNSJHUFKZ-UHFFFAOYSA-N 0 0 442.537 3.376 50 0 IGAARN COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 ZINC000044034825 568746221 /nfs/dbraw/zinc/74/62/21/568746221.db2.gz NSTXWUOARVXEKZ-UHFFFAOYSA-N 0 0 435.318 3.140 50 0 IGAARN O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003354425 568746956 /nfs/dbraw/zinc/74/69/56/568746956.db2.gz GRVJTUQHXNYUCS-LLVKDONJSA-N 0 0 439.609 3.262 50 0 IGAARN Cc1ccc(NC(=O)Cn2nc3c4cccc(C)c4ncn3c2=O)c(Br)c1 ZINC000044166074 568748902 /nfs/dbraw/zinc/74/89/02/568748902.db2.gz DYQYLZUTDFZLAC-UHFFFAOYSA-N 0 0 426.274 3.062 50 0 IGAARN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2c1 ZINC000003430556 568749359 /nfs/dbraw/zinc/74/93/59/568749359.db2.gz CLQHDXJIBMDGQQ-LLVKDONJSA-N 0 0 437.568 3.462 50 0 IGAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000003543072 568750709 /nfs/dbraw/zinc/75/07/09/568750709.db2.gz NGRLOOMYHQQHJX-CLOONOSVSA-N 0 0 435.524 3.250 50 0 IGAARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636688 568752208 /nfs/dbraw/zinc/75/22/08/568752208.db2.gz JJSUWMLLCZQQQJ-FUHWJXTLSA-N 0 0 432.498 3.222 50 0 IGAARN Cc1cccn2cc(CN3CCN(C(=O)c4cc(-c5ccccc5)no4)CCC3=O)nc12 ZINC000299756447 568755490 /nfs/dbraw/zinc/75/54/90/568755490.db2.gz ILBMCOLIUAGMJX-UHFFFAOYSA-N 0 0 429.480 3.172 50 0 IGAARN Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(C)o1 ZINC000299760893 568755722 /nfs/dbraw/zinc/75/57/22/568755722.db2.gz RZYHIPRZJYPFJX-HSZRJFAPSA-N 0 0 435.568 3.483 50 0 IGAARN CC[C@H](C)CC(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000299770207 568756604 /nfs/dbraw/zinc/75/66/04/568756604.db2.gz 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O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263618478 568777604 /nfs/dbraw/zinc/77/76/04/568777604.db2.gz TZVJDXRVFCNEBV-OAQYLSRUSA-N 0 0 449.486 3.180 50 0 IGAARN CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)N1CCCCC1 ZINC000032100740 568780679 /nfs/dbraw/zinc/78/06/79/568780679.db2.gz DKSDZKNKMMMKTP-UHFFFAOYSA-N 0 0 436.541 3.051 50 0 IGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1cccc(Cl)c1)C2 ZINC000032106635 568781299 /nfs/dbraw/zinc/78/12/99/568781299.db2.gz FVOJFYVJIBHAFX-UHFFFAOYSA-N 0 0 427.888 3.226 50 0 IGAARN C[C@@H](OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000084037507 568790139 /nfs/dbraw/zinc/79/01/39/568790139.db2.gz AXAZOMHSJHKDMP-JBEBIEQOSA-N 0 0 437.496 3.223 50 0 IGAARN COc1ccc(NC(=O)CN(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419111 568791226 /nfs/dbraw/zinc/79/12/26/568791226.db2.gz KPRRGDXKSOISIZ-UHFFFAOYSA-N 0 0 443.507 3.416 50 0 IGAARN O=C(NCCCN1CCOCC1)c1c[nH]c2cc(Br)c(Br)cc21 ZINC000084338793 568797116 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IBFZCCWSUPDCNK-UHFFFAOYSA-N 0 0 440.912 3.475 50 0 IGAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064593012 568935644 /nfs/dbraw/zinc/93/56/44/568935644.db2.gz CDCSPGJQSOUVDK-ZDUSSCGKSA-N 0 0 439.472 3.147 50 0 IGAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(C)cc4C)nnc3c2=O)c1 ZINC000064593693 568936071 /nfs/dbraw/zinc/93/60/71/568936071.db2.gz MZIXZEADXKTFTL-UHFFFAOYSA-N 0 0 435.509 3.236 50 0 IGAARN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(-n3c(C)c[nH]c3=O)c2)C1 ZINC000089568351 568937836 /nfs/dbraw/zinc/93/78/36/568937836.db2.gz GWHTVYURMPLQBP-KRWDZBQOSA-N 0 0 426.904 3.145 50 0 IGAARN CCOCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000016689661 568938097 /nfs/dbraw/zinc/93/80/97/568938097.db2.gz OHFZMWPODADRGN-ZBJSNUHESA-N 0 0 440.493 3.162 50 0 IGAARN CCOCCn1ccc2c(OCC(=O)Nc3ccccc3C(=O)OCC)cccc2c1=O ZINC000016689948 568938449 /nfs/dbraw/zinc/93/84/49/568938449.db2.gz RAXYWTXONXGOMK-UHFFFAOYSA-N 0 0 438.480 3.232 50 0 IGAARN Cc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000027023608 568939257 /nfs/dbraw/zinc/93/92/57/568939257.db2.gz QWFJPVJMRKFZJK-UHFFFAOYSA-N 0 0 443.550 3.392 50 0 IGAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)c(OC)c1 ZINC000006642093 568942798 /nfs/dbraw/zinc/94/27/98/568942798.db2.gz JVQXUZLBJSBYEW-ZTCOLXNVSA-N 0 0 428.529 3.281 50 0 IGAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OCC)CC1 ZINC000064670143 568943642 /nfs/dbraw/zinc/94/36/42/568943642.db2.gz YPCIBRJRHMPUOR-UHFFFAOYSA-N 0 0 438.571 3.481 50 0 IGAARN CCNC(=O)N1C[C@H](C(=O)N2CCN(c3ccccc3C)CC2)[C@H](c2ccc(C)cc2)C1 ZINC000036044621 568943933 /nfs/dbraw/zinc/94/39/33/568943933.db2.gz JARSWOBGHIMNSY-GOTSBHOMSA-N 0 0 434.584 3.397 50 0 IGAARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083500 568947222 /nfs/dbraw/zinc/94/72/22/568947222.db2.gz KGLNOGYETHZKIV-NRFANRHFSA-N 0 0 426.469 3.296 50 0 IGAARN C[C@H](NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000036085121 568947717 /nfs/dbraw/zinc/94/77/17/568947717.db2.gz SBCQIXAFTNEDDD-KRWDZBQOSA-N 0 0 444.466 3.073 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)N[C@H](C)c3ccccc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086015 568948254 /nfs/dbraw/zinc/94/82/54/568948254.db2.gz DVLWDVBEAWMMFE-LJQANCHMSA-N 0 0 440.503 3.242 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2)c1=O ZINC000036086068 568948485 /nfs/dbraw/zinc/94/84/85/568948485.db2.gz MFBJIEGQHZECEV-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086556 568948997 /nfs/dbraw/zinc/94/89/97/568948997.db2.gz DOXNJYXFVPOJPO-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN CNC(=O)c1cnc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(C)cc2F)c1=O ZINC000064759427 568951857 /nfs/dbraw/zinc/95/18/57/568951857.db2.gz ZKQOZRITVCKCAI-UHFFFAOYSA-N 0 0 428.851 3.010 50 0 IGAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)NCc1ccc2c(c1)OCO2 ZINC000064759309 568951897 /nfs/dbraw/zinc/95/18/97/568951897.db2.gz OJTHLJBLXTZAFE-UHFFFAOYSA-N 0 0 433.443 3.383 50 0 IGAARN CC(C)CNC(=O)Cn1c(=O)c2oc3ccccc3c2n(Cc2cc(F)cc(F)c2)c1=O ZINC000064769514 568953432 /nfs/dbraw/zinc/95/34/32/568953432.db2.gz AXYXBGQULZULDW-UHFFFAOYSA-N 0 0 441.434 3.008 50 0 IGAARN CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776110 568955108 /nfs/dbraw/zinc/95/51/08/568955108.db2.gz YKENECVFAKRLCC-QFIPXVFZSA-N 0 0 443.551 3.184 50 0 IGAARN CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776120 568955128 /nfs/dbraw/zinc/95/51/28/568955128.db2.gz CWFCGYWNQNMUDD-NRFANRHFSA-N 0 0 447.514 3.327 50 0 IGAARN CC[C@@H](C(=O)NCCc1ccc(OC)cc1OC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787547 568956256 /nfs/dbraw/zinc/95/62/56/568956256.db2.gz YTHVWTLBZPQEMG-FQEVSTJZSA-N 0 0 448.523 3.215 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 ZINC000036120478 568957488 /nfs/dbraw/zinc/95/74/88/568957488.db2.gz DMVVPYNMYBFDGH-GOSISDBHSA-N 0 0 432.517 3.029 50 0 IGAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)COC ZINC000036121025 568957625 /nfs/dbraw/zinc/95/76/25/568957625.db2.gz CEDHEFSJNYPDCP-IBGZPJMESA-N 0 0 434.533 3.277 50 0 IGAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000064800613 568961270 /nfs/dbraw/zinc/96/12/70/568961270.db2.gz AOSFMIJSAVJPSI-UHFFFAOYSA-N 0 0 437.569 3.489 50 0 IGAARN Cc1nc2[nH]c(N(Cc3ccc(Br)cc3)C(=O)c3ccco3)nn2c(=O)c1C ZINC000064813952 568963793 /nfs/dbraw/zinc/96/37/93/568963793.db2.gz OMLRRCHYBULIOD-UHFFFAOYSA-N 0 0 442.273 3.237 50 0 IGAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3nc2N2CCOCC2)cc1 ZINC000064819321 568966176 /nfs/dbraw/zinc/96/61/76/568966176.db2.gz COBJGEGKTXMGAL-UHFFFAOYSA-N 0 0 444.491 3.054 50 0 IGAARN O=C(N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1 ZINC000036157850 568966198 /nfs/dbraw/zinc/96/61/98/568966198.db2.gz YJCWVUGPHYLQDG-QFIPXVFZSA-N 0 0 437.515 3.099 50 0 IGAARN COCC(=O)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1cccc(OC)c1)C2=O ZINC000036165805 568968323 /nfs/dbraw/zinc/96/83/23/568968323.db2.gz CJECKMHAIQHGSN-OAQYLSRUSA-N 0 0 432.929 3.270 50 0 IGAARN CC[C@@H](C(=O)NCc1cc(OC)ccc1OC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839473 568969813 /nfs/dbraw/zinc/96/98/13/568969813.db2.gz HVGUTKQNLOWPNL-IBGZPJMESA-N 0 0 434.496 3.173 50 0 IGAARN COC(=O)c1ccc(NC(=O)N(C)CCc2noc(COc3ccc(F)cc3)n2)cc1 ZINC000064840503 568969873 /nfs/dbraw/zinc/96/98/73/568969873.db2.gz CSWGPQYVUWAXST-UHFFFAOYSA-N 0 0 428.420 3.281 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000064841622 568970465 /nfs/dbraw/zinc/97/04/65/568970465.db2.gz ZDWFCRUIODLWSE-UHFFFAOYSA-N 0 0 434.905 3.212 50 0 IGAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)cc1 ZINC000064842049 568970624 /nfs/dbraw/zinc/97/06/24/568970624.db2.gz OFJJVKDNLYKYHW-UHFFFAOYSA-N 0 0 445.541 3.446 50 0 IGAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036204949 568972656 /nfs/dbraw/zinc/97/26/56/568972656.db2.gz WBQBVLFRPTUSMO-FUHWJXTLSA-N 0 0 441.597 3.161 50 0 IGAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036209615 568974114 /nfs/dbraw/zinc/97/41/14/568974114.db2.gz IMCUWDXWZWRXHT-HNAYVOBHSA-N 0 0 431.558 3.153 50 0 IGAARN Cc1c(C(=O)N2CCc3ccccc3C2)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000064865919 568974173 /nfs/dbraw/zinc/97/41/73/568974173.db2.gz VGSXXQWCYNTNNV-INIZCTEOSA-N 0 0 429.586 3.261 50 0 IGAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1 ZINC000064866173 568974243 /nfs/dbraw/zinc/97/42/43/568974243.db2.gz PVFQGSGIQAWQCM-UHFFFAOYSA-N 0 0 428.510 3.447 50 0 IGAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210858 568975405 /nfs/dbraw/zinc/97/54/05/568975405.db2.gz XQVKQDKCGIOAHV-QFIPXVFZSA-N 0 0 425.573 3.145 50 0 IGAARN CCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036212066 568975898 /nfs/dbraw/zinc/97/58/98/568975898.db2.gz UCUHSNRKSDPJQV-JOCHJYFZSA-N 0 0 439.531 3.311 50 0 IGAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036212345 568976187 /nfs/dbraw/zinc/97/61/87/568976187.db2.gz VAFOCXZBUNGZFS-QFIPXVFZSA-N 0 0 441.597 3.196 50 0 IGAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212414 568976216 /nfs/dbraw/zinc/97/62/16/568976216.db2.gz KLXGLEBNPISDJS-HXUWFJFHSA-N 0 0 427.570 3.171 50 0 IGAARN CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036213592 568977592 /nfs/dbraw/zinc/97/75/92/568977592.db2.gz JZDHBKJLBHAUSJ-RXVVDRJESA-N 0 0 428.577 3.016 50 0 IGAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCCn1c2ccccc2nc1-c1ccncc1 ZINC000064888124 568979419 /nfs/dbraw/zinc/97/94/19/568979419.db2.gz DBYAYQCLNSIPGI-UHFFFAOYSA-N 0 0 449.536 3.344 50 0 IGAARN Cc1cc(C)cc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064888897 568979698 /nfs/dbraw/zinc/97/96/98/568979698.db2.gz TYHFMVRJVYTWFC-UHFFFAOYSA-N 0 0 426.542 3.466 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccccc1Cl ZINC000064889362 568979866 /nfs/dbraw/zinc/97/98/66/568979866.db2.gz ODERZBHJVDPPTQ-UHFFFAOYSA-N 0 0 435.937 3.144 50 0 IGAARN CCc1ccccc1NC(=O)CCn1nnc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000064889374 568979926 /nfs/dbraw/zinc/97/99/26/568979926.db2.gz GLJIHSICWHNCAM-UHFFFAOYSA-N 0 0 429.546 3.053 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889158 568980318 /nfs/dbraw/zinc/98/03/18/568980318.db2.gz XAPYKAGVVBFYLU-UHFFFAOYSA-N 0 0 447.948 3.206 50 0 IGAARN O=C(Cc1cccs1)N1CCN([C@@H](C(=O)NCc2cccc(F)c2)C2CCCC2)CC1 ZINC000036254891 568984732 /nfs/dbraw/zinc/98/47/32/568984732.db2.gz SVSIEWJIDCZRDL-HSZRJFAPSA-N 0 0 443.588 3.449 50 0 IGAARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036254274 568984794 /nfs/dbraw/zinc/98/47/94/568984794.db2.gz DJBRXAPHXGUOIO-GBXCKJPGSA-N 0 0 429.605 3.069 50 0 IGAARN COc1ccccc1CNC(=O)CCc1c(C)nn(-c2cc(N3CCCC3)ncn2)c1C ZINC000064924526 568986270 /nfs/dbraw/zinc/98/62/70/568986270.db2.gz VSABVZYPAVXKJP-UHFFFAOYSA-N 0 0 434.544 3.137 50 0 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Cc1ccc(-c2csc(=S)n2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002655535 569415447 /nfs/dbraw/zinc/41/54/47/569415447.db2.gz HYCCNIKWFHENDU-UHFFFAOYSA-N 0 0 447.607 3.261 50 0 IGAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002660259 569415898 /nfs/dbraw/zinc/41/58/98/569415898.db2.gz GIQSPANSRTUGMT-AWEZNQCLSA-N 0 0 449.463 3.036 50 0 IGAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002660260 569415930 /nfs/dbraw/zinc/41/59/30/569415930.db2.gz GIQSPANSRTUGMT-CQSZACIVSA-N 0 0 449.463 3.036 50 0 IGAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)c1 ZINC000002662258 569416301 /nfs/dbraw/zinc/41/63/01/569416301.db2.gz XPOGPGDCVURQNF-UHFFFAOYSA-N 0 0 426.498 3.384 50 0 IGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccn(CC)n2)c(Cl)cc1Cl ZINC000002794512 569422037 /nfs/dbraw/zinc/42/20/37/569422037.db2.gz CRCALQMCODTVNH-UHFFFAOYSA-N 0 0 433.361 3.170 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1/C=c1\sc2n(c1=O)[C@H]1C[C@@](C)(N=2)Oc2ccccc21 ZINC000002800096 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50 0 IGAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000002928037 569425929 /nfs/dbraw/zinc/42/59/29/569425929.db2.gz GTQDNJMPMXMQME-UHFFFAOYSA-N 0 0 438.868 3.055 50 0 IGAARN O=C(CCCCCn1nnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002932890 569426238 /nfs/dbraw/zinc/42/62/38/569426238.db2.gz CSFLSEGTWFAIAI-UHFFFAOYSA-N 0 0 439.947 3.354 50 0 IGAARN CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057347431 569431290 /nfs/dbraw/zinc/43/12/90/569431290.db2.gz YMDLKNIRYSQTCX-UHFFFAOYSA-N 0 0 447.539 3.056 50 0 IGAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)cc1OC ZINC000002974070 569433491 /nfs/dbraw/zinc/43/34/91/569433491.db2.gz ZGVQGGCMQPBCQC-UHFFFAOYSA-N 0 0 439.537 3.200 50 0 IGAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)NCc1ccccc1 ZINC000002974137 569433522 /nfs/dbraw/zinc/43/35/22/569433522.db2.gz LGZGKXXXWZPYJP-UHFFFAOYSA-N 0 0 449.488 3.175 50 0 IGAARN CCc1ccc([C@@H]2NC(=O)N=C(CN3CCN(c4ccc(C)cc4)CC3)C2C(=O)OC)cc1 ZINC000057415318 569434121 /nfs/dbraw/zinc/43/41/21/569434121.db2.gz UGDIXIUHAOTRCM-DEOSSOPVSA-N 0 0 448.567 3.161 50 0 IGAARN CCCn1c(=O)c2sccc2nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000057425272 569434380 /nfs/dbraw/zinc/43/43/80/569434380.db2.gz XXMJSRFLZNHJOJ-UHFFFAOYSA-N 0 0 446.573 3.448 50 0 IGAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2cc(C)[nH]n2)c1 ZINC000057426189 569434538 /nfs/dbraw/zinc/43/45/38/569434538.db2.gz IIWOPDBLTGBPBD-UHFFFAOYSA-N 0 0 441.538 3.277 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(C)C)c1=O ZINC000057426644 569434594 /nfs/dbraw/zinc/43/45/94/569434594.db2.gz COGHABLEXHOTLI-UHFFFAOYSA-N 0 0 443.525 3.086 50 0 IGAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)NCc1ccccc1 ZINC000057427979 569434837 /nfs/dbraw/zinc/43/48/37/569434837.db2.gz VVSMXFYJPGILIV-UHFFFAOYSA-N 0 0 439.924 3.243 50 0 IGAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000057428147 569434842 /nfs/dbraw/zinc/43/48/42/569434842.db2.gz KRIKLTJGVSFDIF-UHFFFAOYSA-N 0 0 441.553 3.121 50 0 IGAARN O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O)N1CCc2ccccc21 ZINC000057473152 569435681 /nfs/dbraw/zinc/43/56/81/569435681.db2.gz STPWKTQCRFIQRG-UHFFFAOYSA-N 0 0 445.906 3.454 50 0 IGAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)NCCc1ccc(Cl)cc1 ZINC000057489545 569437044 /nfs/dbraw/zinc/43/70/44/569437044.db2.gz CURIHJDPOSXYMS-UHFFFAOYSA-N 0 0 439.924 3.226 50 0 IGAARN CC(=O)c1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)c1 ZINC000057490147 569437132 /nfs/dbraw/zinc/43/71/32/569437132.db2.gz XVUAUTKVWWYHID-UHFFFAOYSA-N 0 0 433.489 3.364 50 0 IGAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O ZINC000057490336 569437164 /nfs/dbraw/zinc/43/71/64/569437164.db2.gz RRILUTXLFQFFGC-UHFFFAOYSA-N 0 0 425.441 3.000 50 0 IGAARN COc1ccc(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O ZINC000057490576 569437192 /nfs/dbraw/zinc/43/71/92/569437192.db2.gz RMSXQALTZOTVOO-UHFFFAOYSA-N 0 0 439.468 3.309 50 0 IGAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)NCc1ccc(Cl)cc1 ZINC000057490543 569437200 /nfs/dbraw/zinc/43/72/00/569437200.db2.gz WVRIFJWTIOBDGL-UHFFFAOYSA-N 0 0 443.887 3.323 50 0 IGAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3OC)c2=O)cc1 ZINC000057490668 569437216 /nfs/dbraw/zinc/43/72/16/569437216.db2.gz YGIWIAHYHNFNIZ-UHFFFAOYSA-N 0 0 435.505 3.424 50 0 IGAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000057492080 569437399 /nfs/dbraw/zinc/43/73/99/569437399.db2.gz PTRQBGCMJCJNBR-UHFFFAOYSA-N 0 0 435.505 3.478 50 0 IGAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@H](C)C3)c2=O)c1 ZINC000057492153 569437408 /nfs/dbraw/zinc/43/74/08/569437408.db2.gz SHXFYHYWSOCRCV-CALCHBBNSA-N 0 0 425.554 3.335 50 0 IGAARN Cc1ccc(CNC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)cc1 ZINC000057493830 569437670 /nfs/dbraw/zinc/43/76/70/569437670.db2.gz WUCCQFUYYJKCJF-UHFFFAOYSA-N 0 0 439.562 3.154 50 0 IGAARN CCN(C(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)c1ccccc1 ZINC000057503805 569438126 /nfs/dbraw/zinc/43/81/26/569438126.db2.gz OLDGVWXESJXMKX-UHFFFAOYSA-N 0 0 440.463 3.266 50 0 IGAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)Nc1cccc(F)c1 ZINC000057504408 569438128 /nfs/dbraw/zinc/43/81/28/569438128.db2.gz HZXIHMOYRNBBFS-UHFFFAOYSA-N 0 0 448.389 3.130 50 0 IGAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)Nc1ccccc1F ZINC000057504354 569438140 /nfs/dbraw/zinc/43/81/40/569438140.db2.gz XKTLSXFLILKIHH-UHFFFAOYSA-N 0 0 448.389 3.130 50 0 IGAARN Cc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1C ZINC000057504104 569438145 /nfs/dbraw/zinc/43/81/45/569438145.db2.gz ZNWCLAUIHPAXTL-UHFFFAOYSA-N 0 0 440.463 3.469 50 0 IGAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5ccccc5)nc34)n2)cc1 ZINC000057503622 569438147 /nfs/dbraw/zinc/43/81/47/569438147.db2.gz BPWVIABSTOBNIL-UHFFFAOYSA-N 0 0 426.436 3.160 50 0 IGAARN COc1cc(OC)c(NC(=O)Cn2c(=O)c3sccc3nc2SC)cc1Cl ZINC000057505056 569438184 /nfs/dbraw/zinc/43/81/84/569438184.db2.gz FMGNVMXPPCPUFQ-UHFFFAOYSA-N 0 0 425.919 3.489 50 0 IGAARN Cc1ccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c(C)c1 ZINC000057505859 569438218 /nfs/dbraw/zinc/43/82/18/569438218.db2.gz VCLXROMUKBOERG-UHFFFAOYSA-N 0 0 442.523 3.018 50 0 IGAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)Nc1ccc(Cl)cc1F ZINC000057506962 569438223 /nfs/dbraw/zinc/43/82/23/569438223.db2.gz QPJYYNQYSZIBCH-UHFFFAOYSA-N 0 0 439.925 3.446 50 0 IGAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 ZINC000003042247 569438532 /nfs/dbraw/zinc/43/85/32/569438532.db2.gz MKNBVPJPBVGQTA-UHFFFAOYSA-N 0 0 445.475 3.405 50 0 IGAARN CN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000029899324 569438567 /nfs/dbraw/zinc/43/85/67/569438567.db2.gz MWFJFVWDGRGDDW-UHFFFAOYSA-N 0 0 440.569 3.344 50 0 IGAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCc1cccnc1)C2 ZINC000230128714 569438790 /nfs/dbraw/zinc/43/87/90/569438790.db2.gz MWUZGHUAACQJSC-NOZRDPDXSA-N 0 0 446.526 3.413 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)cc1 ZINC000057525855 569439103 /nfs/dbraw/zinc/43/91/03/569439103.db2.gz NYQHWJHCKGSQTM-UHFFFAOYSA-N 0 0 437.496 3.025 50 0 IGAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCC(OC)OC)cc3NC2=O)cc1OC ZINC000003062791 569439617 /nfs/dbraw/zinc/43/96/17/569439617.db2.gz VNFUAQXEJKUVIF-VXLYETTFSA-N 0 0 444.509 3.138 50 0 IGAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000030032269 569440544 /nfs/dbraw/zinc/44/05/44/569440544.db2.gz AUHRNMJLFXVVFM-UHFFFAOYSA-N 0 0 432.299 3.182 50 0 IGAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1 ZINC000003181140 569441303 /nfs/dbraw/zinc/44/13/03/569441303.db2.gz VWTSLOSVWNXVBB-INIZCTEOSA-N 0 0 431.514 3.213 50 0 IGAARN O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000003245309 569442761 /nfs/dbraw/zinc/44/27/61/569442761.db2.gz ODVHZDOJUTZRLC-UHFFFAOYSA-N 0 0 445.686 3.381 50 0 IGAARN O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3ccc4c(c3)OCCO4)cc2o1 ZINC000003251641 569442985 /nfs/dbraw/zinc/44/29/85/569442985.db2.gz AGLKTPFEIDGGKK-UHFFFAOYSA-N 0 0 428.340 3.351 50 0 IGAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1c(F)cccc1Cl ZINC000057946341 569443371 /nfs/dbraw/zinc/44/33/71/569443371.db2.gz SDMFIPKZMKKICY-QFIPXVFZSA-N 0 0 446.862 3.148 50 0 IGAARN Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O ZINC000003304098 569445187 /nfs/dbraw/zinc/44/51/87/569445187.db2.gz NMLAXDRMXORLHD-UHFFFAOYSA-N 0 0 439.777 3.401 50 0 IGAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000003314273 569445651 /nfs/dbraw/zinc/44/56/51/569445651.db2.gz ZYPVLMLSSRCXFL-NRFANRHFSA-N 0 0 434.323 3.428 50 0 IGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NC(=O)c1ccccc1 ZINC000003317683 569445824 /nfs/dbraw/zinc/44/58/24/569445824.db2.gz UIUFLNIPZXWYGM-UHFFFAOYSA-N 0 0 429.501 3.494 50 0 IGAARN Cc1c(Cl)cnc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1Cl ZINC000003329448 569446357 /nfs/dbraw/zinc/44/63/57/569446357.db2.gz GUUBMVHVNVHGHI-UHFFFAOYSA-N 0 0 435.267 3.048 50 0 IGAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c(C)n1Cc1ccco1 ZINC000003342267 569446926 /nfs/dbraw/zinc/44/69/26/569446926.db2.gz WEOJIUXBMKUMRL-UHFFFAOYSA-N 0 0 445.475 3.442 50 0 IGAARN CCOC(=O)c1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OCC)c1 ZINC000003346087 569447108 /nfs/dbraw/zinc/44/71/08/569447108.db2.gz AXLFHGVGJVWJOV-UHFFFAOYSA-N 0 0 432.425 3.285 50 0 IGAARN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccccc1 ZINC000003361364 569447938 /nfs/dbraw/zinc/44/79/38/569447938.db2.gz HSLAGGQIGOMCEM-CQSZACIVSA-N 0 0 436.493 3.148 50 0 IGAARN Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000058136347 569448384 /nfs/dbraw/zinc/44/83/84/569448384.db2.gz XCGFAISIVJPHLR-DEOSSOPVSA-N 0 0 443.551 3.008 50 0 IGAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000003413824 569450158 /nfs/dbraw/zinc/45/01/58/569450158.db2.gz WCTPXQGAJBOCIN-UHFFFAOYSA-N 0 0 442.468 3.214 50 0 IGAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003433600 569450926 /nfs/dbraw/zinc/45/09/26/569450926.db2.gz HRYRTQSJAWXLGM-UHFFFAOYSA-N 0 0 449.960 3.213 50 0 IGAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1C1CC1 ZINC000003434208 569451015 /nfs/dbraw/zinc/45/10/15/569451015.db2.gz QTSPEWKCPAWDKC-UHFFFAOYSA-N 0 0 430.526 3.264 50 0 IGAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(F)c1 ZINC000003437931 569451098 /nfs/dbraw/zinc/45/10/98/569451098.db2.gz FVAAHVJXRXCXBK-UHFFFAOYSA-N 0 0 434.489 3.186 50 0 IGAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000003447236 569451428 /nfs/dbraw/zinc/45/14/28/569451428.db2.gz JBSPZNQEPMKRCC-HNNXBMFYSA-N 0 0 437.370 3.303 50 0 IGAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000003453478 569451746 /nfs/dbraw/zinc/45/17/46/569451746.db2.gz LWCCQTNZMOBETF-UHFFFAOYSA-N 0 0 446.459 3.045 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000003456121 569451787 /nfs/dbraw/zinc/45/17/87/569451787.db2.gz VWIRAAWTOHEEAG-HDICACEKSA-N 0 0 436.574 3.116 50 0 IGAARN CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000003464505 569451939 /nfs/dbraw/zinc/45/19/39/569451939.db2.gz BIFNOUFAUCMUIN-OAQYLSRUSA-N 0 0 425.476 3.196 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003477731 569452236 /nfs/dbraw/zinc/45/22/36/569452236.db2.gz TZVYJQSDDYBCSV-UHFFFAOYSA-N 0 0 427.438 3.373 50 0 IGAARN Cc1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)cc1 ZINC000003494229 569452637 /nfs/dbraw/zinc/45/26/37/569452637.db2.gz OOOGWUVAXGPAPI-UHFFFAOYSA-N 0 0 431.539 3.358 50 0 IGAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)CC2 ZINC000031034123 569452748 /nfs/dbraw/zinc/45/27/48/569452748.db2.gz QWLDAMODMAVWGR-UHFFFAOYSA-N 0 0 433.508 3.339 50 0 IGAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC1CCCC1 ZINC000003514949 569453103 /nfs/dbraw/zinc/45/31/03/569453103.db2.gz MICDCPSCBYDWGX-AWEZNQCLSA-N 0 0 442.965 3.119 50 0 IGAARN CCSc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)s1 ZINC000003543770 569453654 /nfs/dbraw/zinc/45/36/54/569453654.db2.gz ORPYGTTXNCFMFF-UHFFFAOYSA-N 0 0 446.645 3.411 50 0 IGAARN O=C(NCc1sc2ccccc2c1Cl)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000670447534 569454239 /nfs/dbraw/zinc/45/42/39/569454239.db2.gz GNZWUPFXPZVMQZ-AWEZNQCLSA-N 0 0 426.991 3.070 50 0 IGAARN CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000003594272 569454629 /nfs/dbraw/zinc/45/46/29/569454629.db2.gz KPUGGGPULOUYMA-FQEVSTJZSA-N 0 0 444.285 3.057 50 0 IGAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000003600715 569454844 /nfs/dbraw/zinc/45/48/44/569454844.db2.gz MMXHVDUBWPLBBZ-AREMUKBSSA-N 0 0 431.536 3.251 50 0 IGAARN COc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000003630413 569455328 /nfs/dbraw/zinc/45/53/28/569455328.db2.gz IODCPRUIHCUGBC-UHFFFAOYSA-N 0 0 446.488 3.408 50 0 IGAARN C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccc(F)c(F)c1 ZINC000031742455 569457178 /nfs/dbraw/zinc/45/71/78/569457178.db2.gz MZLXCNWIUGDQCZ-SNVBAGLBSA-N 0 0 425.229 3.330 50 0 IGAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(Cc4ncc(C)c(OC)c4C)CC3)c2c1 ZINC000031807946 569457632 /nfs/dbraw/zinc/45/76/32/569457632.db2.gz MWNBAXPPCYUPRS-JOCHJYFZSA-N 0 0 438.528 3.140 50 0 IGAARN C[C@H](NC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1)c1ccc(Br)cc1 ZINC000031881414 569458338 /nfs/dbraw/zinc/45/83/38/569458338.db2.gz MPGKYASLUNHRRF-LBPRGKRZSA-N 0 0 429.274 3.292 50 0 IGAARN CNC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000031920921 569458399 /nfs/dbraw/zinc/45/83/99/569458399.db2.gz TTWDJQFISHUGHB-UHFFFAOYSA-N 0 0 443.569 3.011 50 0 IGAARN CCN(CC)C(=O)COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc32)cc1Cl ZINC000031955695 569458508 /nfs/dbraw/zinc/45/85/08/569458508.db2.gz RVIQBSYRVKYPSE-UHFFFAOYSA-N 0 0 442.903 3.086 50 0 IGAARN COCCNC(=O)c1nn(-c2cccc(Cl)c2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032070776 569459183 /nfs/dbraw/zinc/45/91/83/569459183.db2.gz ONNULNHFZPRPOG-UHFFFAOYSA-N 0 0 427.888 3.490 50 0 IGAARN CC(C)OCCCN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2C1=O ZINC000032073404 569459294 /nfs/dbraw/zinc/45/92/94/569459294.db2.gz QNVPPHKUICTYKM-QFIPXVFZSA-N 0 0 436.508 3.311 50 0 IGAARN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccc(OC)cc4)c3c2=O)cc1 ZINC000032088076 569459466 /nfs/dbraw/zinc/45/94/66/569459466.db2.gz XVHJJUJTQJCYFI-UHFFFAOYSA-N 0 0 427.464 3.366 50 0 IGAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032088299 569459478 /nfs/dbraw/zinc/45/94/78/569459478.db2.gz LCODCGBBNZXVEQ-IBGZPJMESA-N 0 0 441.915 3.330 50 0 IGAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnnn1-c1ccc(Br)cc1)C2 ZINC000032093168 569459701 /nfs/dbraw/zinc/45/97/01/569459701.db2.gz GGRLXTVCSSNSCE-INIZCTEOSA-N 0 0 447.314 3.342 50 0 IGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2NC1N2CC3(C)CN1CC(C)(C2)C3c1ccccc1 ZINC000032124362 569460412 /nfs/dbraw/zinc/46/04/12/569460412.db2.gz QIEMCEJKVWHTAZ-FSZWGNRESA-N 0 0 449.551 3.187 50 0 IGAARN CC(=O)N(C(C)=O)c1ccc(OCCCOc2ccc(N(C(C)=O)C(C)=O)cc2)cc1 ZINC000004142031 569460453 /nfs/dbraw/zinc/46/04/53/569460453.db2.gz RDAZLWNGQCCWAB-UHFFFAOYSA-N 0 0 426.469 3.333 50 0 IGAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032455943 569461744 /nfs/dbraw/zinc/46/17/44/569461744.db2.gz XRAKYZHVEADKKU-CRAIPNDOSA-N 0 0 441.915 3.240 50 0 IGAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=[NH+]2)cc1 ZINC000038207078 569462443 /nfs/dbraw/zinc/46/24/43/569462443.db2.gz NKTKMUZTTMTZNY-OALUTQOASA-N 0 0 437.475 3.224 50 0 IGAARN CC[C@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3cc(OC)cc(OC)c3)no2)c1=O ZINC000038486499 569462786 /nfs/dbraw/zinc/46/27/86/569462786.db2.gz DAJKQRYZFJELLJ-AWEZNQCLSA-N 0 0 436.468 3.250 50 0 IGAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(Cl)cc4)c3=O)n2)cc1C ZINC000038486753 569462804 /nfs/dbraw/zinc/46/28/04/569462804.db2.gz JMZDYPFLXJRXPR-UHFFFAOYSA-N 0 0 447.886 3.405 50 0 IGAARN COc1ccc(CNC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000038486984 569462855 /nfs/dbraw/zinc/46/28/55/569462855.db2.gz VIKGCQGVKBHMJN-UHFFFAOYSA-N 0 0 444.520 3.461 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC(c4nnc(C5CC5)o4)CC3)n(C)n2)c1 ZINC000038518816 569463147 /nfs/dbraw/zinc/46/31/47/569463147.db2.gz PPBLCDSCBRFWPL-UHFFFAOYSA-N 0 0 437.500 3.385 50 0 IGAARN O=C(Cc1csc(NC(=O)Cc2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000038575677 569464095 /nfs/dbraw/zinc/46/40/95/569464095.db2.gz MJGCTNDLCNZYLR-UHFFFAOYSA-N 0 0 436.537 3.342 50 0 IGAARN CC(=O)c1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 ZINC000067225787 569465245 /nfs/dbraw/zinc/46/52/45/569465245.db2.gz NJMJGCDLDJHHDR-UHFFFAOYSA-N 0 0 447.520 3.331 50 0 IGAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O ZINC000067226234 569465265 /nfs/dbraw/zinc/46/52/65/569465265.db2.gz JLTDWSUKYCVEDR-IRXDYDNUSA-N 0 0 439.585 3.227 50 0 IGAARN CC(C)c1ccccc1NC(=O)Cn1c2c(-c3ccccc3)cn(C)c2c(=O)n(C)c1=O ZINC000067235420 569465303 /nfs/dbraw/zinc/46/53/03/569465303.db2.gz LLQXGWGPCJMQSL-UHFFFAOYSA-N 0 0 430.508 3.468 50 0 IGAARN COc1ccc(-c2cc3nn(CC(=O)Nc4c(C)cccc4Cl)c(=O)n3c(C)n2)cc1 ZINC000067226623 569465304 /nfs/dbraw/zinc/46/53/04/569465304.db2.gz VGFYPWSEFOATGS-UHFFFAOYSA-N 0 0 437.887 3.476 50 0 IGAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000067239153 569465654 /nfs/dbraw/zinc/46/56/54/569465654.db2.gz JTBOJDUYMZEKEQ-AWEZNQCLSA-N 0 0 444.557 3.430 50 0 IGAARN CC1CCN(c2cnn(CC(=O)NCc3ccc(C(F)(F)F)cc3)c(=O)c2Cl)CC1 ZINC000067245988 569465949 /nfs/dbraw/zinc/46/59/49/569465949.db2.gz VDVFDHYQHUMTMW-UHFFFAOYSA-N 0 0 442.869 3.468 50 0 IGAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO ZINC000067300466 569468233 /nfs/dbraw/zinc/46/82/33/569468233.db2.gz AIJUQMCMKYDXDM-UHFFFAOYSA-N 0 0 446.334 3.377 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(F)cc1 ZINC000067301093 569468266 /nfs/dbraw/zinc/46/82/66/569468266.db2.gz QEBCLINQMXHZBW-UHFFFAOYSA-N 0 0 445.878 3.193 50 0 IGAARN O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038729911 569468369 /nfs/dbraw/zinc/46/83/69/569468369.db2.gz YEKJOFFHLPNUAT-MSOLQXFVSA-N 0 0 432.293 3.071 50 0 IGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c1CCO ZINC000067316558 569468395 /nfs/dbraw/zinc/46/83/95/569468395.db2.gz BSXDTXUSHPAIAJ-OAQYLSRUSA-N 0 0 437.927 3.211 50 0 IGAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N[C@H](C)c2ccccc2)c(=O)c1CCO ZINC000067316597 569468414 /nfs/dbraw/zinc/46/84/14/569468414.db2.gz LDNJTJFXZOPRCE-OAHLLOKOSA-N 0 0 425.916 3.284 50 0 IGAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c1CCO ZINC000067316801 569468422 /nfs/dbraw/zinc/46/84/22/569468422.db2.gz OHKIRYHLVKJBCJ-KRWDZBQOSA-N 0 0 437.515 3.030 50 0 IGAARN COc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1 ZINC000067317797 569468440 /nfs/dbraw/zinc/46/84/40/569468440.db2.gz IRAYXLSZTLEHJH-UHFFFAOYSA-N 0 0 432.480 3.500 50 0 IGAARN COC(=O)c1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067320063 569468589 /nfs/dbraw/zinc/46/85/89/569468589.db2.gz PPIFAVPZQMNWHB-UHFFFAOYSA-N 0 0 442.541 3.310 50 0 IGAARN O=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000067336689 569468919 /nfs/dbraw/zinc/46/89/19/569468919.db2.gz LIRYQYVRYMFJEI-UHFFFAOYSA-N 0 0 434.374 3.141 50 0 IGAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1C ZINC000008595385 569469256 /nfs/dbraw/zinc/46/92/56/569469256.db2.gz MWHHDJMWXZLWBB-UHFFFAOYSA-N 0 0 430.555 3.348 50 0 IGAARN CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 ZINC000008620994 569469417 /nfs/dbraw/zinc/46/94/17/569469417.db2.gz OASSAEAJLAEXRN-UHFFFAOYSA-N 0 0 444.582 3.126 50 0 IGAARN CCOCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000008661705 569469873 /nfs/dbraw/zinc/46/98/73/569469873.db2.gz ISQQEORUOXRMOK-XZOQPEGZSA-N 0 0 438.524 3.083 50 0 IGAARN CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008668501 569469972 /nfs/dbraw/zinc/46/99/72/569469972.db2.gz OPDUJECAPJNMFY-UHFFFAOYSA-N 0 0 445.450 3.340 50 0 IGAARN CCCCn1c2nc(CSc3ccc4c(c3)OCCCO4)n(CC)c2c(=O)[nH]c1=O ZINC000008720050 569471508 /nfs/dbraw/zinc/47/15/08/569471508.db2.gz RJUYKXBKVZIVRC-UHFFFAOYSA-N 0 0 430.530 3.160 50 0 IGAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008723894 569471917 /nfs/dbraw/zinc/47/19/17/569471917.db2.gz RHFLKTHFGQHCQV-OAHLLOKOSA-N 0 0 444.582 3.477 50 0 IGAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(-c3ccncc3)n2C)c1 ZINC000008727040 569472332 /nfs/dbraw/zinc/47/23/32/569472332.db2.gz YBTVDLZHWDQKGB-GOSISDBHSA-N 0 0 439.541 3.350 50 0 IGAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000008728057 569472412 /nfs/dbraw/zinc/47/24/12/569472412.db2.gz DDIWKFCBYXFXHG-CQSZACIVSA-N 0 0 426.498 3.017 50 0 IGAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008749034 569473213 /nfs/dbraw/zinc/47/32/13/569473213.db2.gz FZJVVXXRPDKKDG-ZDUSSCGKSA-N 0 0 443.425 3.059 50 0 IGAARN CNS(=O)(=O)c1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)ccc1C ZINC000008762498 569474339 /nfs/dbraw/zinc/47/43/39/569474339.db2.gz IILNEIRYRJDIIN-UHFFFAOYSA-N 0 0 429.498 3.339 50 0 IGAARN CCCCn1c(CN2CCc3ccccc32)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000008778745 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CCOc1ccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009712520 569562338 /nfs/dbraw/zinc/56/23/38/569562338.db2.gz QEMARROYJMFNNS-UHFFFAOYSA-N 0 0 448.541 3.286 50 0 IGAARN CCOCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(C)cc2)n(C)c1=O ZINC000009713241 569562570 /nfs/dbraw/zinc/56/25/70/569562570.db2.gz HHWYEPVWIHXTJI-UHFFFAOYSA-N 0 0 443.507 3.151 50 0 IGAARN CCCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000009713315 569562600 /nfs/dbraw/zinc/56/26/00/569562600.db2.gz SKGSHIQKJBEVDO-UHFFFAOYSA-N 0 0 429.480 3.224 50 0 IGAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000009715061 569563051 /nfs/dbraw/zinc/56/30/51/569563051.db2.gz VKDUCBXNYKGZKC-UHFFFAOYSA-N 0 0 449.488 3.266 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000009716089 569563166 /nfs/dbraw/zinc/56/31/66/569563166.db2.gz RZEHLQWOTXBPPR-UHFFFAOYSA-N 0 0 449.492 3.429 50 0 IGAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721660 569563369 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Cc1nc2ccccc2n1CCNC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000009911899 569573301 /nfs/dbraw/zinc/57/33/01/569573301.db2.gz JNRDEYQOSVWKCC-INIZCTEOSA-N 0 0 429.567 3.054 50 0 IGAARN COc1ccccc1N1CC[NH+](C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000071279618 569573557 /nfs/dbraw/zinc/57/35/57/569573557.db2.gz LRMBFGPOAHJZSU-INIZCTEOSA-N 0 0 431.920 3.200 50 0 IGAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(Cc1ccccc1Cl)C2=O ZINC000009925796 569573639 /nfs/dbraw/zinc/57/36/39/569573639.db2.gz BGJLGUXTKLCKSU-NRFANRHFSA-N 0 0 442.928 3.350 50 0 IGAARN COc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)NC1CC1 ZINC000009949993 569574343 /nfs/dbraw/zinc/57/43/43/569574343.db2.gz RMRDVOCURYYLQN-ZDUSSCGKSA-N 0 0 442.493 3.045 50 0 IGAARN CCOc1cc(Br)c(CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1OCC ZINC000009951484 569574479 /nfs/dbraw/zinc/57/44/79/569574479.db2.gz HXGDWFRCLKIMPY-UHFFFAOYSA-N 0 0 427.295 3.193 50 0 IGAARN COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 ZINC000009952785 569574635 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0 IGAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009981827 569576510 /nfs/dbraw/zinc/57/65/10/569576510.db2.gz SFLZZAXJHHCMMK-UHFFFAOYSA-N 0 0 442.810 3.302 50 0 IGAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000009983314 569576612 /nfs/dbraw/zinc/57/66/12/569576612.db2.gz ZEIMMYMFFLVVGJ-LJQANCHMSA-N 0 0 443.569 3.083 50 0 IGAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000009983691 569576622 /nfs/dbraw/zinc/57/66/22/569576622.db2.gz OTCVOPAZMACZJJ-HXUWFJFHSA-N 0 0 437.540 3.078 50 0 IGAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sccc1C(N)=O ZINC000010021852 569577205 /nfs/dbraw/zinc/57/72/05/569577205.db2.gz CAGLTIRANGBABO-LBPRGKRZSA-N 0 0 427.555 3.484 50 0 IGAARN Cc1cn2c3c(nc2n1[C@@H](C)c1ccccc1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000010103868 569577873 /nfs/dbraw/zinc/57/78/73/569577873.db2.gz YSLKNTSZJSEEIE-SFHVURJKSA-N 0 0 427.508 3.310 50 0 IGAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n12 ZINC000010104103 569577895 /nfs/dbraw/zinc/57/78/95/569577895.db2.gz FJGBSPVLUMDXOR-FMIVXFBMSA-N 0 0 440.507 3.051 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1OC ZINC000010131716 569578017 /nfs/dbraw/zinc/57/80/17/569578017.db2.gz XZDNZXZCYILBSB-UHFFFAOYSA-N 0 0 444.285 3.329 50 0 IGAARN COc1ccccc1CCNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000010131946 569578093 /nfs/dbraw/zinc/57/80/93/569578093.db2.gz IIQYLAFNFVOQPQ-UHFFFAOYSA-N 0 0 442.313 3.040 50 0 IGAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000010166106 569578186 /nfs/dbraw/zinc/57/81/86/569578186.db2.gz XDZFVBCYGCDAQR-FQEVSTJZSA-N 0 0 432.476 3.081 50 0 IGAARN COC(=O)c1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 ZINC000010166358 569578267 /nfs/dbraw/zinc/57/82/67/569578267.db2.gz FIAGADJWQYEEKP-UHFFFAOYSA-N 0 0 448.475 3.002 50 0 IGAARN COc1cccc(-n2c3nc(-c4ccc(Cl)cc4Cl)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187998 569578775 /nfs/dbraw/zinc/57/87/75/569578775.db2.gz GOTWXWBCDOPRQI-UHFFFAOYSA-N 0 0 430.251 3.190 50 0 IGAARN Fc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 ZINC000010200923 569578919 /nfs/dbraw/zinc/57/89/19/569578919.db2.gz MCZCXWWIDKBDEB-UHFFFAOYSA-N 0 0 428.449 3.178 50 0 IGAARN CN(C)C(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC000010227161 569579293 /nfs/dbraw/zinc/57/92/93/569579293.db2.gz MUOOSMDRKSLIDQ-UHFFFAOYSA-N 0 0 431.471 3.104 50 0 IGAARN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1OC ZINC000010253736 569579979 /nfs/dbraw/zinc/57/99/79/569579979.db2.gz WTZLKHPVQNIPGR-UHFFFAOYSA-N 0 0 431.470 3.188 50 0 IGAARN CCOC(=O)c1cn(CC(=O)Nc2cccc(Br)c2)c2nc(C)ccc2c1=O ZINC000010272968 569580225 /nfs/dbraw/zinc/58/02/25/569580225.db2.gz QJPUVZOFGMYTPG-UHFFFAOYSA-N 0 0 444.285 3.283 50 0 IGAARN Cc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000010273765 569580266 /nfs/dbraw/zinc/58/02/66/569580266.db2.gz WNYGIYUGDURQIS-RUZDIDTESA-N 0 0 446.528 3.465 50 0 IGAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cc(OC)ccc4OC)c3)c2)n1 ZINC000071768445 569580739 /nfs/dbraw/zinc/58/07/39/569580739.db2.gz JDNWWXVZWXAHIP-UHFFFAOYSA-N 0 0 448.483 3.217 50 0 IGAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(Cl)cc4)CC3)nc2N)c1 ZINC000071772148 569580897 /nfs/dbraw/zinc/58/08/97/569580897.db2.gz HFNLQADVFWNKRQ-UHFFFAOYSA-N 0 0 443.960 3.180 50 0 IGAARN Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)ncc1C(=O)NCc1ccccc1F ZINC000071772286 569580916 /nfs/dbraw/zinc/58/09/16/569580916.db2.gz SJBLEUOWRDXFQJ-UHFFFAOYSA-N 0 0 440.910 3.108 50 0 IGAARN COc1cc(C(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc(OC)c1OC ZINC000010335972 569581103 /nfs/dbraw/zinc/58/11/03/569581103.db2.gz LHBCNFKXBSMCGG-UHFFFAOYSA-N 0 0 427.432 3.117 50 0 IGAARN CCc1cccc(-n2c(SCCC(=O)Nc3cc(C)on3)nnc2N2CCOCC2)c1 ZINC000010376950 569581638 /nfs/dbraw/zinc/58/16/38/569581638.db2.gz ZDPQCSWHVUNHEK-UHFFFAOYSA-N 0 0 442.545 3.084 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000010383296 569581762 /nfs/dbraw/zinc/58/17/62/569581762.db2.gz FOPBWZRJWLBTCH-UHFFFAOYSA-N 0 0 445.566 3.002 50 0 IGAARN CCN(C(C)=O)c1nc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cs1 ZINC000071811823 569581882 /nfs/dbraw/zinc/58/18/82/569581882.db2.gz UDCZGQFEBKDIQC-MRXNPFEDSA-N 0 0 440.573 3.445 50 0 IGAARN O=C(CNC(=O)c1ccccc1Br)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446480 569582239 /nfs/dbraw/zinc/58/22/39/569582239.db2.gz PDNJWUBKVJCCIX-UHFFFAOYSA-N 0 0 444.329 3.056 50 0 IGAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC ZINC000071850220 569582396 /nfs/dbraw/zinc/58/23/96/569582396.db2.gz ITDMKXDJXKDSPV-INIZCTEOSA-N 0 0 438.571 3.015 50 0 IGAARN COC(=O)c1nc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)sc1C(C)C ZINC000095479126 569583724 /nfs/dbraw/zinc/58/37/24/569583724.db2.gz MNDWGZLXYXRJCX-UHFFFAOYSA-N 0 0 442.541 3.600 50 0 IGAARN COCCn1nnn(-c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1=O ZINC000077100128 569585319 /nfs/dbraw/zinc/58/53/19/569585319.db2.gz BYPSIVKTUPAKPP-UHFFFAOYSA-N 0 0 441.919 3.179 50 0 IGAARN Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)Cc4ccccc4Br)C3)nc2)n1 ZINC000077100803 569585497 /nfs/dbraw/zinc/58/54/97/569585497.db2.gz FLKPLSGZQJZPQG-MRXNPFEDSA-N 0 0 442.317 3.140 50 0 IGAARN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077100747 569585501 /nfs/dbraw/zinc/58/55/01/569585501.db2.gz KPUDUMRGRCNZDU-HUUCEWRRSA-N 0 0 438.527 3.373 50 0 IGAARN O=C(CCS(=O)(=O)c1ccccc1)N1CC(Oc2nc3c(cccc3Cl)s2)C1 ZINC000077101029 569585520 /nfs/dbraw/zinc/58/55/20/569585520.db2.gz MMTWBWSIDRYMGO-UHFFFAOYSA-N 0 0 436.942 3.403 50 0 IGAARN COc1nn(C)cc1C(=O)N1CCN(c2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000077101067 569585537 /nfs/dbraw/zinc/58/55/37/569585537.db2.gz GEBANKOYOXZRGY-UHFFFAOYSA-N 0 0 425.436 3.020 50 0 IGAARN Cc1ccc(N2C[C@H](C(=O)NCCc3nc4c(c(C(F)(F)F)n3)CCCC4)CC2=O)cc1 ZINC000077101227 569585583 /nfs/dbraw/zinc/58/55/83/569585583.db2.gz OYNJAOVJKIIUCR-OAHLLOKOSA-N 0 0 446.473 3.394 50 0 IGAARN Cn1nc([C@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)n(-c2ccccc2)c1=O ZINC000077149039 569585709 /nfs/dbraw/zinc/58/57/09/569585709.db2.gz ZRFRQSLYQXDRMN-HNNXBMFYSA-N 0 0 434.525 3.042 50 0 IGAARN COc1ccc2cc(C(=O)N3CCc4nc(NC(=O)c5cc(C)on5)sc4C3)[nH]c2c1 ZINC000077153900 569585732 /nfs/dbraw/zinc/58/57/32/569585732.db2.gz NASVBNDRQHCVFF-UHFFFAOYSA-N 0 0 437.481 3.380 50 0 IGAARN COc1ccc(CCNC(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159817 569585770 /nfs/dbraw/zinc/58/57/70/569585770.db2.gz FODXOJDARNIMAZ-UHFFFAOYSA-N 0 0 433.556 3.129 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000077184226 569585885 /nfs/dbraw/zinc/58/58/85/569585885.db2.gz YXRUFKNOFUMVHX-XMMPIXPASA-N 0 0 438.549 3.241 50 0 IGAARN O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)[C@@H]1CCCO1 ZINC000077192050 569586036 /nfs/dbraw/zinc/58/60/36/569586036.db2.gz KFADTFUWWOHQON-AWEZNQCLSA-N 0 0 441.431 3.358 50 0 IGAARN O=C(Cc1ccccc1Br)N1CCN(Cc2nncn2C2CCCCC2)CC1 ZINC000077197345 569586161 /nfs/dbraw/zinc/58/61/61/569586161.db2.gz DERNRYXXNUHUKZ-UHFFFAOYSA-N 0 0 446.393 3.433 50 0 IGAARN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)cc1 ZINC000077200282 569586358 /nfs/dbraw/zinc/58/63/58/569586358.db2.gz XUCICIBLHTYULA-ZWKOTPCHSA-N 0 0 432.498 3.311 50 0 IGAARN C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)NC1=O ZINC000078499471 569586672 /nfs/dbraw/zinc/58/66/72/569586672.db2.gz MOQCRURLANNMAU-PXAZEXFGSA-N 0 0 431.286 3.382 50 0 IGAARN COc1ccccc1OC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000019644947 569587050 /nfs/dbraw/zinc/58/70/50/569587050.db2.gz FWZQSMLVKIMBTQ-UHFFFAOYSA-N 0 0 446.569 3.003 50 0 IGAARN Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](C(=O)NC[C@@H]4CCCO4)C3)c2)cc1 ZINC000021709345 569587183 /nfs/dbraw/zinc/58/71/83/569587183.db2.gz HBBCMFOPTALFJG-GMAHTHKFSA-N 0 0 449.551 3.395 50 0 IGAARN CCOC(=O)c1ccc(NC(=S)N2CC(=O)N3CCc4ccc(F)cc4[C@@H]3C2)cc1 ZINC000022658080 569587237 /nfs/dbraw/zinc/58/72/37/569587237.db2.gz IMCKFLTTZIXDOT-IBGZPJMESA-N 0 0 427.501 3.141 50 0 IGAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1 ZINC000036227702 569587903 /nfs/dbraw/zinc/58/79/03/569587903.db2.gz 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CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccc(OC)cc1)C2=O ZINC000014242076 556402703 /nfs/dbraw/zinc/40/27/03/556402703.db2.gz NMUVQWBSUAAIEW-IQJRZOLZSA-N 0 0 432.561 3.490 50 0 IGAARN C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000014244610 556404256 /nfs/dbraw/zinc/40/42/56/556404256.db2.gz NAOMVSJYBYCGBI-CQSZACIVSA-N 0 0 436.555 3.218 50 0 IGAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccc(F)cc3)s1)C2=O ZINC000014245560 556405257 /nfs/dbraw/zinc/40/52/57/556405257.db2.gz YVYCPYIULHEUQP-ASSNKEHSSA-N 0 0 430.505 3.312 50 0 IGAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCN(CCc2ccncc2)CC1 ZINC000032594202 556407674 /nfs/dbraw/zinc/40/76/74/556407674.db2.gz PKGDHJKXJZCYJN-UHFFFAOYSA-N 0 0 441.329 3.500 50 0 IGAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC000032646451 556412442 /nfs/dbraw/zinc/41/24/42/556412442.db2.gz SOOWYTFUVSVUKM-UHFFFAOYSA-N 0 0 435.459 3.258 50 0 IGAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000032672268 556414996 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ZINC000032895105 556514668 /nfs/dbraw/zinc/51/46/68/556514668.db2.gz UJAJMTOQVUHYKJ-UHFFFAOYSA-N 0 0 440.836 3.202 50 0 IGAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cn1 ZINC000032895296 556515128 /nfs/dbraw/zinc/51/51/28/556515128.db2.gz LPMLZLSJHSQOBQ-UHFFFAOYSA-N 0 0 447.866 3.209 50 0 IGAARN COC(=O)c1sccc1S(=O)(=O)N(C)Cc1cc(Br)ccc1OC ZINC000032895537 556515196 /nfs/dbraw/zinc/51/51/96/556515196.db2.gz IPTJUURCCUWCHT-UHFFFAOYSA-N 0 0 434.333 3.127 50 0 IGAARN COc1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1OC ZINC000013554471 556515364 /nfs/dbraw/zinc/51/53/64/556515364.db2.gz YUQBLBZPEAADSN-UHFFFAOYSA-N 0 0 437.496 3.152 50 0 IGAARN CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000032898812 556516911 /nfs/dbraw/zinc/51/69/11/556516911.db2.gz FRYGGAQMGZPILQ-UHFFFAOYSA-N 0 0 426.489 3.430 50 0 IGAARN COc1cc(CCC2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc(OC)c1 ZINC000032889915 556518898 /nfs/dbraw/zinc/51/88/98/556518898.db2.gz WVHRQAPYQYAONK-UHFFFAOYSA-N 0 0 439.556 3.420 50 0 IGAARN COC(=O)C1=C(CSc2nc3ccccc3o2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566276 556519194 /nfs/dbraw/zinc/51/91/94/556519194.db2.gz JFAPAFKPGUZPRI-GOSISDBHSA-N 0 0 425.466 3.410 50 0 IGAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000013566732 556519796 /nfs/dbraw/zinc/51/97/96/556519796.db2.gz JPOAZEUSAZCDBM-UHFFFAOYSA-N 0 0 431.297 3.122 50 0 IGAARN Cn1nc(-c2ccncc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000072300844 556523596 /nfs/dbraw/zinc/52/35/96/556523596.db2.gz UPNLBSPXLWPVHX-CQSZACIVSA-N 0 0 440.301 3.236 50 0 IGAARN CCOC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3cccc(C(=O)OC)c3)cc21 ZINC000032900062 556531917 /nfs/dbraw/zinc/53/19/17/556531917.db2.gz MWVPGVMWWIAHEX-UHFFFAOYSA-N 0 0 431.466 3.218 50 0 IGAARN Cc1nc2c(s1)CN(C(=O)CNS(=O)(=O)c1ccc(Oc3ccccc3)cc1)CC2 ZINC000013607516 556533326 /nfs/dbraw/zinc/53/33/26/556533326.db2.gz HSAUHQYUJFMNAR-UHFFFAOYSA-N 0 0 443.550 3.107 50 0 IGAARN NC(=O)C1CCN(c2oc(/C=C/c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000013607200 556533342 /nfs/dbraw/zinc/53/33/42/556533342.db2.gz OATFGDKCCDRNQN-VAWYXSNFSA-N 0 0 437.521 3.380 50 0 IGAARN COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)NC1CC1 ZINC000015565767 556535304 /nfs/dbraw/zinc/53/53/04/556535304.db2.gz NKVPCQVDBCIACG-UHFFFAOYSA-N 0 0 443.294 3.290 50 0 IGAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCOc1ccccc1 ZINC000011085846 556537466 /nfs/dbraw/zinc/53/74/66/556537466.db2.gz FHDJPPAYZVNDJS-UHFFFAOYSA-N 0 0 429.567 3.292 50 0 IGAARN CC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2Cc1c(Cl)cccc1Cl ZINC000013628029 556537693 /nfs/dbraw/zinc/53/76/93/556537693.db2.gz XOCVFFFFLFZKMQ-UHFFFAOYSA-N 0 0 427.309 3.083 50 0 IGAARN O=C(NC1=NCCS1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000032719831 556538550 /nfs/dbraw/zinc/53/85/50/556538550.db2.gz SDXJVJGOYLQYNX-UHFFFAOYSA-N 0 0 440.344 3.083 50 0 IGAARN CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000015627795 556538942 /nfs/dbraw/zinc/53/89/42/556538942.db2.gz NBFQWSJVSADXOM-GOSISDBHSA-N 0 0 440.935 3.302 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000015659552 556541577 /nfs/dbraw/zinc/54/15/77/556541577.db2.gz NOQGDMNLWXQGAW-FGGAIWKESA-N 0 0 448.544 3.115 50 0 IGAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCc4cccs4)C3)n2)cc1OC ZINC000015726091 556547409 /nfs/dbraw/zinc/54/74/09/556547409.db2.gz DXMQADXZZKWAJI-INIZCTEOSA-N 0 0 442.541 3.344 50 0 IGAARN CCOc1ccccc1CNC(=O)CCc1nc2c(C)nn(-c3ccccc3)c2n(C)c1=O ZINC000015779971 556551451 /nfs/dbraw/zinc/55/14/51/556551451.db2.gz FLMAKZOFRRPHPZ-UHFFFAOYSA-N 0 0 445.523 3.075 50 0 IGAARN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000032906438 556552449 /nfs/dbraw/zinc/55/24/49/556552449.db2.gz BVXOFIUYLHBBKU-VQTJNVASSA-N 0 0 441.572 3.461 50 0 IGAARN CSc1nc2nc(C)c(CC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000015817617 556553606 /nfs/dbraw/zinc/55/36/06/556553606.db2.gz IFBDCPYDNVQOJO-HXUWFJFHSA-N 0 0 441.557 3.290 50 0 IGAARN COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1OC ZINC000032906834 556554244 /nfs/dbraw/zinc/55/42/44/556554244.db2.gz DROOQLBVUQVJBU-OAHLLOKOSA-N 0 0 447.329 3.478 50 0 IGAARN O=C(CSc1nnc2[nH]c(=O)c(Cc3ccccc3)nn21)Nc1cccc(Cl)c1 ZINC000015882047 556560915 /nfs/dbraw/zinc/56/09/15/556560915.db2.gz MTEIRQYETLSGAG-UHFFFAOYSA-N 0 0 426.889 3.200 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3[nH]c(=O)sc3c2)c(C)c1 ZINC000072307872 556563167 /nfs/dbraw/zinc/56/31/67/556563167.db2.gz KBCJVDPAKLHLFM-QGZVFWFLSA-N 0 0 445.566 3.307 50 0 IGAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)CC1 ZINC000015919195 556563301 /nfs/dbraw/zinc/56/33/01/556563301.db2.gz YOVFFSWSBMVHNP-UHFFFAOYSA-N 0 0 436.574 3.021 50 0 IGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000015919211 556563642 /nfs/dbraw/zinc/56/36/42/556563642.db2.gz GLYJGWYFCCOXAD-QGZVFWFLSA-N 0 0 436.961 3.108 50 0 IGAARN COc1ccc(CN(C)C(=O)CNC(=O)Cc2cccc3ccccc32)c(OC)c1OC ZINC000015941043 556566266 /nfs/dbraw/zinc/56/62/66/556566266.db2.gz DTEIANNFCMDZSF-UHFFFAOYSA-N 0 0 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556580348 /nfs/dbraw/zinc/58/03/48/556580348.db2.gz CZSVFBLWIBNJNY-UHFFFAOYSA-N 0 0 446.594 3.131 50 0 IGAARN COc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000016050888 556581253 /nfs/dbraw/zinc/58/12/53/556581253.db2.gz FJGFWDAWWQEGFG-QKFKETGDSA-N 0 0 430.501 3.078 50 0 IGAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2sc3sccc3c2Cl)cc1 ZINC000032965251 556587048 /nfs/dbraw/zinc/58/70/48/556587048.db2.gz QLWAOIHRRUDUHP-UHFFFAOYSA-N 0 0 430.960 3.333 50 0 IGAARN Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1ccc(Cl)cc1 ZINC000016263140 556595214 /nfs/dbraw/zinc/59/52/14/556595214.db2.gz PFCUTWKDGAHKTO-IBGZPJMESA-N 0 0 447.882 3.435 50 0 IGAARN COc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000032974006 556596017 /nfs/dbraw/zinc/59/60/17/556596017.db2.gz WKCRSIVXZGTVMS-UHFFFAOYSA-N 0 0 446.569 3.119 50 0 IGAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NCCc1cccs1 ZINC000032975687 556600379 /nfs/dbraw/zinc/60/03/79/556600379.db2.gz PHMRVNNNOAQVTM-RTBURBONSA-N 0 0 446.594 3.253 50 0 IGAARN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)N(C)C ZINC000032983081 556601457 /nfs/dbraw/zinc/60/14/57/556601457.db2.gz YDXHZISEMXFAKZ-OAQYLSRUSA-N 0 0 434.540 3.164 50 0 IGAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983856 556602674 /nfs/dbraw/zinc/60/26/74/556602674.db2.gz PHLKJJLUWCCVNY-XSFVSMFZSA-N 0 0 439.899 3.454 50 0 IGAARN CCCCn1c2nc(COC(=O)C3(c4ccccc4)CCC3)n(CCC)c2c(=O)[nH]c1=O ZINC000016376678 556603624 /nfs/dbraw/zinc/60/36/24/556603624.db2.gz ONEFTZRVYRVSHV-UHFFFAOYSA-N 0 0 438.528 3.262 50 0 IGAARN COc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000032987263 556607207 /nfs/dbraw/zinc/60/72/07/556607207.db2.gz LUWGKCGTVCZMHO-UHFFFAOYSA-N 0 0 446.529 3.488 50 0 IGAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000016431073 556607535 /nfs/dbraw/zinc/60/75/35/556607535.db2.gz HWFMKARYEAGJIW-UHFFFAOYSA-N 0 0 433.917 3.075 50 0 IGAARN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCc1ccccc1 ZINC000032987526 556607703 /nfs/dbraw/zinc/60/77/03/556607703.db2.gz MYZBUYRWDVDIOO-UHFFFAOYSA-N 0 0 430.917 3.319 50 0 IGAARN O=C1NC(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000016448705 556608717 /nfs/dbraw/zinc/60/87/17/556608717.db2.gz KJWGJJGZLLRFDO-UHFFFAOYSA-N 0 0 428.492 3.307 50 0 IGAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1 ZINC000032995104 556609959 /nfs/dbraw/zinc/60/99/59/556609959.db2.gz KTPTYPILORGYRL-UHFFFAOYSA-N 0 0 438.509 3.467 50 0 IGAARN CC(C)NC(=O)c1cccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000032996583 556612137 /nfs/dbraw/zinc/61/21/37/556612137.db2.gz IUBXZJYTDAUGIJ-UHFFFAOYSA-N 0 0 434.905 3.007 50 0 IGAARN O=C(OCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000016524216 556613997 /nfs/dbraw/zinc/61/39/97/556613997.db2.gz ISUDLKGAQOUPSZ-UHFFFAOYSA-N 0 0 437.315 3.125 50 0 IGAARN O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016625712 556618598 /nfs/dbraw/zinc/61/85/98/556618598.db2.gz LCBJRNDCAIRSOT-RMKNXTFCSA-N 0 0 434.565 3.106 50 0 IGAARN 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O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019819694 556923074 /nfs/dbraw/zinc/92/30/74/556923074.db2.gz XCFKWCYKSHDOMD-JXMROGBWSA-N 0 0 439.581 3.088 50 0 IGAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000019862475 556933993 /nfs/dbraw/zinc/93/39/93/556933993.db2.gz GUYJBSATCZOXHT-MRXNPFEDSA-N 0 0 436.505 3.023 50 0 IGAARN COc1ccccc1OCc1ccc(C2N=NC(=S)N2CCCN2CCOCC2)o1 ZINC000020028590 556967590 /nfs/dbraw/zinc/96/75/90/556967590.db2.gz GRUVAYIWDZGYBW-UHFFFAOYSA-N 0 0 430.530 3.137 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccccc4)c(COC)nn32)cc1 ZINC000072405364 556972132 /nfs/dbraw/zinc/97/21/32/556972132.db2.gz MDLLNGMPAARRLB-LJQANCHMSA-N 0 0 448.479 3.395 50 0 IGAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4cc(F)ccc4F)CC3)ccc2=O)cc1 ZINC000033264890 556974842 /nfs/dbraw/zinc/97/48/42/556974842.db2.gz MAEJYAMSTQXZOH-UHFFFAOYSA-N 0 0 425.439 3.173 50 0 IGAARN Cn1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(CC3CC3)c(=O)c2n1 ZINC000033265260 556975343 /nfs/dbraw/zinc/97/53/43/556975343.db2.gz RMKQYHQVPFBSBK-UHFFFAOYSA-N 0 0 437.447 3.290 50 0 IGAARN CCn1c2ncccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000097088886 556983569 /nfs/dbraw/zinc/98/35/69/556983569.db2.gz LQSOUYKYFHWRHY-ZDUSSCGKSA-N 0 0 435.347 3.392 50 0 IGAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)NCc1ccc(F)cc1 ZINC000033268371 556984144 /nfs/dbraw/zinc/98/41/44/556984144.db2.gz BFXKTHQIZDBVOO-UHFFFAOYSA-N 0 0 437.880 3.085 50 0 IGAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020219643 556999958 /nfs/dbraw/zinc/99/99/58/556999958.db2.gz DCOLRWSQERBKMQ-HSZRJFAPSA-N 0 0 448.519 3.459 50 0 IGAARN O=C(NC[C@H](c1cccc2ccccc21)N1CCOCC1)C(=O)Nc1cc(F)ccc1F ZINC000023107655 557002439 /nfs/dbraw/zinc/00/24/39/557002439.db2.gz PUSBTTMSGNVTHZ-JOCHJYFZSA-N 0 0 439.462 3.246 50 0 IGAARN COc1cccc([C@H](CNS(=O)(=O)c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023108065 557002448 /nfs/dbraw/zinc/00/24/48/557002448.db2.gz RHBXGAOFLNYWMO-QFIPXVFZSA-N 0 0 426.538 3.200 50 0 IGAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)N1CCc2ccccc21 ZINC000023108958 557003732 /nfs/dbraw/zinc/00/37/32/557003732.db2.gz SKKWYPVJSDDNAJ-UHFFFAOYSA-N 0 0 447.520 3.303 50 0 IGAARN COCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 ZINC000020271624 557004828 /nfs/dbraw/zinc/00/48/28/557004828.db2.gz JDTCTEMZUJFQTF-UHFFFAOYSA-N 0 0 433.512 3.032 50 0 IGAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1 ZINC000020353551 557009445 /nfs/dbraw/zinc/00/94/45/557009445.db2.gz ASIDBENHQFCSDO-UHFFFAOYSA-N 0 0 434.883 3.456 50 0 IGAARN CSc1nn(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000045986807 557016039 /nfs/dbraw/zinc/01/60/39/557016039.db2.gz HJWLTDODSDEOCN-UHFFFAOYSA-N 0 0 448.545 3.415 50 0 IGAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 ZINC000072273221 557016214 /nfs/dbraw/zinc/01/62/14/557016214.db2.gz LTDSPPBEXQJMKI-CYBMUJFWSA-N 0 0 435.933 3.254 50 0 IGAARN CSc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000045986894 557016110 /nfs/dbraw/zinc/01/61/10/557016110.db2.gz LZDPSEZCBLNIBW-UHFFFAOYSA-N 0 0 434.518 3.106 50 0 IGAARN CC(C)c1nnc(SCC(=O)NC[C@@H]2CCCO2)c2c1cnn2-c1ccc(F)cc1 ZINC000023137707 557019411 /nfs/dbraw/zinc/01/94/11/557019411.db2.gz XYGVWHACONUBTN-INIZCTEOSA-N 0 0 429.521 3.465 50 0 IGAARN COC(=O)c1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)cc1 ZINC000023138607 557021811 /nfs/dbraw/zinc/02/18/11/557021811.db2.gz IXAOEGQSDOEGNA-UHFFFAOYSA-N 0 0 441.484 3.478 50 0 IGAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000046027653 557023513 /nfs/dbraw/zinc/02/35/13/557023513.db2.gz ZTBYTIAJGOHJRZ-MRXNPFEDSA-N 0 0 429.586 3.309 50 0 IGAARN COc1ccc(C)cc1NC(=O)Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1 ZINC000023142211 557024544 /nfs/dbraw/zinc/02/45/44/557024544.db2.gz KIYCLFFWQJALCB-UHFFFAOYSA-N 0 0 440.525 3.040 50 0 IGAARN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000023142544 557024629 /nfs/dbraw/zinc/02/46/29/557024629.db2.gz RVDKRNZSKHAJHP-UHFFFAOYSA-N 0 0 442.459 3.299 50 0 IGAARN O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCc1ccccc1Cl ZINC000023142181 557024753 /nfs/dbraw/zinc/02/47/53/557024753.db2.gz SHKOYLBERGSIHG-UHFFFAOYSA-N 0 0 444.944 3.054 50 0 IGAARN O=C(CNc1ccccc1C(=O)NC1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010762544 557025273 /nfs/dbraw/zinc/02/52/73/557025273.db2.gz JCTNEZITRDPKBE-UHFFFAOYSA-N 0 0 444.417 3.229 50 0 IGAARN CCOCCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2ccccc2c1=O ZINC000010786154 557026785 /nfs/dbraw/zinc/02/67/85/557026785.db2.gz HPEDDOZPVQAOBE-UHFFFAOYSA-N 0 0 441.553 3.240 50 0 IGAARN COC(=O)C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)c1ccc(OC)cc1OC ZINC000097032689 557027707 /nfs/dbraw/zinc/02/77/07/557027707.db2.gz IZDKCHRSCJNVMH-MRXNPFEDSA-N 0 0 427.482 3.257 50 0 IGAARN O=C(Nc1cccc(F)c1)[C@H]1CC(=O)Nc2nc(SCCc3ccccc3)[nH]c(=O)c21 ZINC000046074324 557030338 /nfs/dbraw/zinc/03/03/38/557030338.db2.gz LLGKJTBRHBKUJK-INIZCTEOSA-N 0 0 438.484 3.308 50 0 IGAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(SCCc3ccccc3)[nH]c(=O)c21 ZINC000046074318 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ZINC000033275678 557055310 /nfs/dbraw/zinc/05/53/10/557055310.db2.gz ZVEBOGVSPWZLNN-UHFFFAOYSA-N 0 0 434.544 3.108 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)c(C)c1 ZINC000033275881 557055806 /nfs/dbraw/zinc/05/58/06/557055806.db2.gz DHPBLLIEQRKMDT-UHFFFAOYSA-N 0 0 428.558 3.021 50 0 IGAARN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000022990054 557056100 /nfs/dbraw/zinc/05/61/00/557056100.db2.gz AOFZISSCTNYYEP-UHFFFAOYSA-N 0 0 435.502 3.063 50 0 IGAARN C/C=C/c1ccc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(OC)c1 ZINC000022989694 557056134 /nfs/dbraw/zinc/05/61/34/557056134.db2.gz FNGJGZLBRZWQLV-ONEGZZNKSA-N 0 0 439.512 3.017 50 0 IGAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000033276261 557056477 /nfs/dbraw/zinc/05/64/77/557056477.db2.gz DGUGBMJXFCLXMZ-CQSZACIVSA-N 0 0 426.498 3.228 50 0 IGAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000023012440 557057411 /nfs/dbraw/zinc/05/74/11/557057411.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000026134134 557236126 /nfs/dbraw/zinc/23/61/26/557236126.db2.gz AAOGCNZVKFPNBA-GOSISDBHSA-N 0 0 444.528 3.279 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1 ZINC000026162922 557236722 /nfs/dbraw/zinc/23/67/22/557236722.db2.gz KMRYKBDGZYUUEC-UHFFFAOYSA-N 0 0 433.555 3.293 50 0 IGAARN CCOC(=O)C1=C(CSc2ncc3ccccn32)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000032950631 557237769 /nfs/dbraw/zinc/23/77/69/557237769.db2.gz HJCTWZVEGKQHAD-IBGZPJMESA-N 0 0 438.509 3.306 50 0 IGAARN CCn1c(SCC(=O)NCCc2nnc3ccccn32)nnc1-c1ccc(Cl)cc1 ZINC000026303702 557238624 /nfs/dbraw/zinc/23/86/24/557238624.db2.gz CFSLYNJRWNTQKH-UHFFFAOYSA-N 0 0 441.948 3.112 50 0 IGAARN CCS(=O)(=O)N1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000026309873 557239064 /nfs/dbraw/zinc/23/90/64/557239064.db2.gz GPEAKJRYDBDXOR-SFHVURJKSA-N 0 0 425.551 3.090 50 0 IGAARN COc1ccc(C)cc1NC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 ZINC000583649611 557240398 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IGAARN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000026905462 557250963 /nfs/dbraw/zinc/25/09/63/557250963.db2.gz FGFDCTWXSQNUFE-UHFFFAOYSA-N 0 0 446.503 3.467 50 0 IGAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000018232208 557253350 /nfs/dbraw/zinc/25/33/50/557253350.db2.gz YCBCPIJIMCQZGN-UHFFFAOYSA-N 0 0 440.569 3.489 50 0 IGAARN CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1OCC ZINC000027022762 557255531 /nfs/dbraw/zinc/25/55/31/557255531.db2.gz XRNOFBOGXJLXMC-JCMHNJIXSA-N 0 0 448.544 3.361 50 0 IGAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)NCc2ccccc2)c1 ZINC000101114070 557256664 /nfs/dbraw/zinc/25/66/64/557256664.db2.gz VFJVDYFZAIOLER-WEMUOSSPSA-N 0 0 428.492 3.391 50 0 IGAARN O=C(/C=C/c1nc2ccccc2o1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011012012 557256943 /nfs/dbraw/zinc/25/69/43/557256943.db2.gz VWPDYBQKZLPTQQ-ZHACJKMWSA-N 0 0 433.464 3.262 50 0 IGAARN C[C@H]1Cc2ccccc2N1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000027269075 557259429 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CC[C@@H]1CCCCN1C(=O)CCc1c(C)nc2[nH]c(NCc3ccc(C)cc3)nn2c1=O ZINC000101834831 557301510 /nfs/dbraw/zinc/30/15/10/557301510.db2.gz XJRPWAJRKUXSOM-LJQANCHMSA-N 0 0 436.560 3.370 50 0 IGAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCOC)N2[C@@H]1c1ccccc1C ZINC000103409972 557314916 /nfs/dbraw/zinc/31/49/16/557314916.db2.gz JJOFJKRRAKJHAQ-HXUWFJFHSA-N 0 0 429.542 3.286 50 0 IGAARN CN(C)C(=O)CSc1ccccc1C(=O)OCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000032752750 557314975 /nfs/dbraw/zinc/31/49/75/557314975.db2.gz RNNOWJUEZHWALN-UHFFFAOYSA-N 0 0 431.901 3.114 50 0 IGAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000102297032 557315775 /nfs/dbraw/zinc/31/57/75/557315775.db2.gz OYDSZQKIZSYYIS-PHIMTYICSA-N 0 0 431.208 3.358 50 0 IGAARN CCc1ccc(OC[C@@H](O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000014199597 557317104 /nfs/dbraw/zinc/31/71/04/557317104.db2.gz CENVQIIQZYTOPW-QFIPXVFZSA-N 0 0 430.504 3.484 50 0 IGAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 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O=C(c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012069914 557526209 /nfs/dbraw/zinc/52/62/09/557526209.db2.gz ZTEDHFQHWJJJQG-UHFFFAOYSA-N 0 0 425.435 3.195 50 0 IGAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000106535476 557530167 /nfs/dbraw/zinc/53/01/67/557530167.db2.gz POZCJRCEFZTKLD-ORQYLMBXSA-N 0 0 439.874 3.219 50 0 IGAARN CC(C)[C@@H]1CC[C@H](C)[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000107326181 557535431 /nfs/dbraw/zinc/53/54/31/557535431.db2.gz KFATVLPNODVFKD-IEEQIXEPSA-N 0 0 432.605 3.371 50 0 IGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000044840346 557539337 /nfs/dbraw/zinc/53/93/37/557539337.db2.gz SNPNXGXNVCAYRX-ZDUSSCGKSA-N 0 0 445.903 3.444 50 0 IGAARN C[C@@H](NC(=O)CCc1nnc2n1c1ccsc1c(=O)n2C)C12CC3CC(CC(C3)C1)C2 ZINC000045895836 557546410 /nfs/dbraw/zinc/54/64/10/557546410.db2.gz VVJIKRZCDKOHNS-TWLOVUBOSA-N 0 0 439.585 3.296 50 0 IGAARN 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C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000009367496 569526444 /nfs/dbraw/zinc/52/64/44/569526444.db2.gz PYRFJSNZDXPLQA-NSHDSACASA-N 0 0 431.388 3.385 50 0 IGAARN Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2CCO)c1 ZINC000009379785 569527763 /nfs/dbraw/zinc/52/77/63/569527763.db2.gz DBAQEQUBNKNAHY-VMPITWQZSA-N 0 0 432.261 3.472 50 0 IGAARN O=c1cc(Cc2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 ZINC000009382492 569528304 /nfs/dbraw/zinc/52/83/04/569528304.db2.gz FUVOWFVBTHDSAT-UHFFFAOYSA-N 0 0 443.891 3.320 50 0 IGAARN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC(n2cccc2)CC1 ZINC000070038205 569529363 /nfs/dbraw/zinc/52/93/63/569529363.db2.gz JZLWYFANUAPHPS-XDHOZWIPSA-N 0 0 427.570 3.364 50 0 IGAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 ZINC000009405039 569529778 /nfs/dbraw/zinc/52/97/78/569529778.db2.gz MMJVGTROQIXYEI-UHFFFAOYSA-N 0 0 436.490 3.153 50 0 IGAARN Cc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1CCc1ccccc1 ZINC000009405193 569529809 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50 0 IGAARN Cc1c(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(=O)oc2cc(O)cc(O)c12 ZINC000009418679 569532455 /nfs/dbraw/zinc/53/24/55/569532455.db2.gz NTKTVCOKPHLGTG-UHFFFAOYSA-N 0 0 441.827 3.075 50 0 IGAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009419891 569532607 /nfs/dbraw/zinc/53/26/07/569532607.db2.gz CQLMZILCGLOBCX-IRXDYDNUSA-N 0 0 443.544 3.455 50 0 IGAARN COc1cccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3O)CC4=O)CC2)c1 ZINC000009423835 569532993 /nfs/dbraw/zinc/53/29/93/569532993.db2.gz YQEIMCVAOJNQKF-QGZVFWFLSA-N 0 0 430.508 3.430 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009440567 569535260 /nfs/dbraw/zinc/53/52/60/569535260.db2.gz NYZDEJZKPPWYRL-UHFFFAOYSA-N 0 0 440.930 3.195 50 0 IGAARN C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H]3CCCc4ccccc43)cc2NC1=O ZINC000009440876 569535306 /nfs/dbraw/zinc/53/53/06/569535306.db2.gz BRLJQCJCKUNXMO-KDOFPFPSSA-N 0 0 444.578 3.477 50 0 IGAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H]3CCCc4ccccc43)cc2NC1=O ZINC000009440878 569535323 /nfs/dbraw/zinc/53/53/23/569535323.db2.gz BRLJQCJCKUNXMO-KSSFIOAISA-N 0 0 444.578 3.477 50 0 IGAARN Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000009446532 569535873 /nfs/dbraw/zinc/53/58/73/569535873.db2.gz HTTBUHYUAXPNIQ-ZHRRBRCNSA-N 0 0 439.487 3.369 50 0 IGAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000009447971 569536057 /nfs/dbraw/zinc/53/60/57/569536057.db2.gz QULHHXRLYKANKC-IOYDXJRHSA-N 0 0 437.565 3.417 50 0 IGAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O ZINC000009448618 569536120 /nfs/dbraw/zinc/53/61/20/569536120.db2.gz GOJFOULCXCHDMT-NZQKXSOJSA-N 0 0 441.528 3.343 50 0 IGAARN O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009449256 569536172 /nfs/dbraw/zinc/53/61/72/569536172.db2.gz ZMRTZOWVSSPJQQ-UHFFFAOYSA-N 0 0 430.468 3.127 50 0 IGAARN CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)cc2C1=O ZINC000009452898 569536562 /nfs/dbraw/zinc/53/65/62/569536562.db2.gz RAIMEXNXZUVDEV-HNNXBMFYSA-N 0 0 437.496 3.333 50 0 IGAARN CCCn1nc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000009455304 569536713 /nfs/dbraw/zinc/53/67/13/569536713.db2.gz NZVOQRUIFOMCQG-UHFFFAOYSA-N 0 0 447.535 3.445 50 0 IGAARN Nc1nccnc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000009464791 569537809 /nfs/dbraw/zinc/53/78/09/569537809.db2.gz FGGJHJCNEKHYPE-UHFFFAOYSA-N 0 0 436.493 3.026 50 0 IGAARN CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000009466775 569538287 /nfs/dbraw/zinc/53/82/87/569538287.db2.gz CMFITLBQXTXLCJ-LLVKDONJSA-N 0 0 441.855 3.280 50 0 IGAARN COc1ccccc1C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009467012 569538316 /nfs/dbraw/zinc/53/83/16/569538316.db2.gz JJNNEMBGZXKPCL-LLVKDONJSA-N 0 0 446.308 3.095 50 0 IGAARN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000009467831 569538437 /nfs/dbraw/zinc/53/84/37/569538437.db2.gz MQIZDOFPSIQDID-VQTJNVASSA-N 0 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569541261 /nfs/dbraw/zinc/54/12/61/569541261.db2.gz QOGNXFKAZLOGTA-UHFFFAOYSA-N 0 0 438.557 3.283 50 0 IGAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000009508124 569542266 /nfs/dbraw/zinc/54/22/66/569542266.db2.gz CVHMMIQXHFODTG-CQSZACIVSA-N 0 0 443.504 3.312 50 0 IGAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c(C)n1CC(F)(F)F ZINC000009508520 569542351 /nfs/dbraw/zinc/54/23/51/569542351.db2.gz SANCWLHYXMKLMX-NRFANRHFSA-N 0 0 433.430 3.329 50 0 IGAARN CC[C@H](C)N(C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000009509657 569542620 /nfs/dbraw/zinc/54/26/20/569542620.db2.gz SUEXYVWECOKLGP-DOTOQJQBSA-N 0 0 446.569 3.018 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(C)cc4)[nH]n3)n2N)cc1 ZINC000009510501 569542747 /nfs/dbraw/zinc/54/27/47/569542747.db2.gz ICHIZAWZFBDQKU-UHFFFAOYSA-N 0 0 435.513 3.097 50 0 IGAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009517648 569543689 /nfs/dbraw/zinc/54/36/89/569543689.db2.gz LLFUNVFRXSVTBO-UHFFFAOYSA-N 0 0 437.456 3.472 50 0 IGAARN Nc1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518074 569543952 /nfs/dbraw/zinc/54/39/52/569543952.db2.gz UUXOFUPUMGYOGL-UHFFFAOYSA-N 0 0 447.879 3.128 50 0 IGAARN C[C@H]1CN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)C[C@H](C)O1 ZINC000009519898 569544366 /nfs/dbraw/zinc/54/43/66/569544366.db2.gz VWHZALFLBJTEHO-ROUUACIJSA-N 0 0 426.538 3.251 50 0 IGAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(Br)c1 ZINC000009528475 569544735 /nfs/dbraw/zinc/54/47/35/569544735.db2.gz BQOGXWJTLWSPGI-HNNXBMFYSA-N 0 0 431.377 3.130 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)CSC1=Nc2cc(C)ccc2S(=O)(=O)N1 ZINC000009530172 569544966 /nfs/dbraw/zinc/54/49/66/569544966.db2.gz RMNFMRJRCAGWRM-UHFFFAOYSA-N 0 0 433.511 3.014 50 0 IGAARN C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O ZINC000009531020 569545099 /nfs/dbraw/zinc/54/50/99/569545099.db2.gz LHWLWQXHYZIJMZ-WNYOCNMUSA-N 0 0 428.508 3.245 50 0 IGAARN Cc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000009544317 569545981 /nfs/dbraw/zinc/54/59/81/569545981.db2.gz SHGWTAFFFOXHSJ-HNNXBMFYSA-N 0 0 444.509 3.484 50 0 IGAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009548542 569546528 /nfs/dbraw/zinc/54/65/28/569546528.db2.gz QQOHKLBRPBWVJD-UHFFFAOYSA-N 0 0 448.479 3.275 50 0 IGAARN COc1ccccc1O[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009556404 569546771 /nfs/dbraw/zinc/54/67/71/569546771.db2.gz BZDFIGKJRFKUSP-QAPCUYQASA-N 0 0 437.945 3.332 50 0 IGAARN CS(=O)(=O)c1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009575357 569547960 /nfs/dbraw/zinc/54/79/60/569547960.db2.gz RGCRMSSSDIPGMX-SFHVURJKSA-N 0 0 430.526 3.027 50 0 IGAARN CCc1ccc(-c2nc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000009575931 569548006 /nfs/dbraw/zinc/54/80/06/569548006.db2.gz UTBJZXXRJXBMNA-GOSISDBHSA-N 0 0 448.614 3.085 50 0 IGAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)cc1F)CC2)c1cccs1 ZINC000070638684 569548994 /nfs/dbraw/zinc/54/89/94/569548994.db2.gz FNDDDGURXGTGOP-UHFFFAOYSA-N 0 0 441.506 3.482 50 0 IGAARN Cc1noc(CNC(=O)C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000070655628 569550087 /nfs/dbraw/zinc/55/00/87/569550087.db2.gz IMMAJUYMXZUWAO-UHFFFAOYSA-N 0 0 432.524 3.455 50 0 IGAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 ZINC000070656044 569550111 /nfs/dbraw/zinc/55/01/11/569550111.db2.gz XWNFWVFZWAMSFW-AWEZNQCLSA-N 0 0 432.406 3.416 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000009595650 569550787 /nfs/dbraw/zinc/55/07/87/569550787.db2.gz XYNZGMVMTRKXAG-KRWDZBQOSA-N 0 0 449.507 3.075 50 0 IGAARN CC1CCN(C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(Cl)c3)c2=O)CC1 ZINC000009598646 569551077 /nfs/dbraw/zinc/55/10/77/569551077.db2.gz XBNGPZQIFRJZOG-UHFFFAOYSA-N 0 0 435.908 3.265 50 0 IGAARN Cc1csc(NC(=O)CSc2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)n1 ZINC000009599977 569551366 /nfs/dbraw/zinc/55/13/66/569551366.db2.gz UBRYBVKMRCFBDH-UHFFFAOYSA-N 0 0 435.512 3.015 50 0 IGAARN O=C(NCCOC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009601072 569551512 /nfs/dbraw/zinc/55/15/12/569551512.db2.gz BHDPDCKKQJTHRY-UHFFFAOYSA-N 0 0 429.885 3.375 50 0 IGAARN Nc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1Cc1ccc(Br)cc1F ZINC000009608553 569552151 /nfs/dbraw/zinc/55/21/51/569552151.db2.gz YUVBXHARYHNWDB-UHFFFAOYSA-N 0 0 426.196 3.341 50 0 IGAARN COc1ccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)cc1Br ZINC000009608633 569552214 /nfs/dbraw/zinc/55/22/14/569552214.db2.gz DDHXSWPFIKZVBC-UHFFFAOYSA-N 0 0 446.305 3.249 50 0 IGAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000009610355 569552552 /nfs/dbraw/zinc/55/25/52/569552552.db2.gz ARDVOEXYOQXKTK-UHFFFAOYSA-N 0 0 429.480 3.229 50 0 IGAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCCC2)cc1 ZINC000009611597 569552783 /nfs/dbraw/zinc/55/27/83/569552783.db2.gz RXKGXOSYOFPUKC-UHFFFAOYSA-N 0 0 425.558 3.310 50 0 IGAARN CC(C)CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1F ZINC000009612965 569552969 /nfs/dbraw/zinc/55/29/69/569552969.db2.gz RLOFXUGNLZJLHI-UHFFFAOYSA-N 0 0 447.576 3.211 50 0 IGAARN CC[C@H]1CCCCN1C(=O)Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCC3 ZINC000009615380 569553205 /nfs/dbraw/zinc/55/32/05/569553205.db2.gz SFTDZLMXBOREDC-INIZCTEOSA-N 0 0 437.565 3.494 50 0 IGAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1N1CCCC1 ZINC000009616913 569553340 /nfs/dbraw/zinc/55/33/40/569553340.db2.gz QVVPEYKTFZBYGJ-HNNXBMFYSA-N 0 0 426.586 3.395 50 0 IGAARN COc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1OC ZINC000009627666 569553568 /nfs/dbraw/zinc/55/35/68/569553568.db2.gz JUMDKBKLNUPLMW-UHFFFAOYSA-N 0 0 425.510 3.314 50 0 IGAARN CCOc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C ZINC000009630439 569553644 /nfs/dbraw/zinc/55/36/44/569553644.db2.gz BGHFCFMMDJVNQN-UHFFFAOYSA-N 0 0 448.589 3.232 50 0 IGAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc2c1 ZINC000009631323 569553789 /nfs/dbraw/zinc/55/37/89/569553789.db2.gz MNQZJYLEHSNFIV-UHFFFAOYSA-N 0 0 430.555 3.387 50 0 IGAARN O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(I)cc1 ZINC000009634086 569554399 /nfs/dbraw/zinc/55/43/99/569554399.db2.gz DTWSFJKCGAQXRM-UHFFFAOYSA-N 0 0 434.233 3.497 50 0 IGAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000009637519 569554764 /nfs/dbraw/zinc/55/47/64/569554764.db2.gz MJVJIMAMGSCAKD-UHFFFAOYSA-N 0 0 448.884 3.491 50 0 IGAARN CCOC(=O)c1sc2[nH]c([C@H](C)OC(=O)c3cccc(N(C)C)c3)nc(=O)c2c1C ZINC000009639798 569555274 /nfs/dbraw/zinc/55/52/74/569555274.db2.gz UKWVCKHVYCLKEL-LBPRGKRZSA-N 0 0 429.498 3.454 50 0 IGAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)NCc1ccccc1Cl ZINC000009641522 569555679 /nfs/dbraw/zinc/55/56/79/569555679.db2.gz BZHIJEHXQPDKKS-UHFFFAOYSA-N 0 0 425.901 3.147 50 0 IGAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000009644071 569556035 /nfs/dbraw/zinc/55/60/35/569556035.db2.gz NPFLNFAVIHWLNQ-UHFFFAOYSA-N 0 0 448.665 3.435 50 0 IGAARN COc1ccc(CN(C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000009646197 569556251 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ZINC000009673817 569559027 /nfs/dbraw/zinc/55/90/27/569559027.db2.gz WIZIOWSGUWHANJ-UHFFFAOYSA-N 0 0 432.889 3.392 50 0 IGAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2 ZINC000009681630 569560233 /nfs/dbraw/zinc/56/02/33/569560233.db2.gz VXGPFSXIQKJRGM-JOCHJYFZSA-N 0 0 443.503 3.142 50 0 IGAARN COc1cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)o2)cc(OC)c1OC ZINC000009684321 569560478 /nfs/dbraw/zinc/56/04/78/569560478.db2.gz XEMFUMYGXQMWFN-UHFFFAOYSA-N 0 0 432.483 3.124 50 0 IGAARN COc1cc(NC(=O)c2cc3c(ccn(Cc4cccnc4)c3=O)nc2C)cc(OC)c1 ZINC000009686082 569560679 /nfs/dbraw/zinc/56/06/79/569560679.db2.gz IGAOYFGYRALTAW-UHFFFAOYSA-N 0 0 430.464 3.418 50 0 IGAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2ccc3c(c2)OCCO3)c1 ZINC000009703455 569561282 /nfs/dbraw/zinc/56/12/82/569561282.db2.gz OUUXLNZTPSHTRB-UHFFFAOYSA-N 0 0 436.555 3.219 50 0 IGAARN CCc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 ZINC000009703649 569561349 /nfs/dbraw/zinc/56/13/49/569561349.db2.gz GGDCFMSFQBYVNN-UHFFFAOYSA-N 0 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ZINC000009721783 569563460 /nfs/dbraw/zinc/56/34/60/569563460.db2.gz VCUPLMZMVPCSGT-UHFFFAOYSA-N 0 0 432.929 3.442 50 0 IGAARN CCCc1cc(=O)[nH]c(SCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)n1 ZINC000009725659 569563847 /nfs/dbraw/zinc/56/38/47/569563847.db2.gz MVAUPKWIYDZBNT-UHFFFAOYSA-N 0 0 435.575 3.047 50 0 IGAARN COc1ccc(OC)c(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)c1 ZINC000009729376 569564261 /nfs/dbraw/zinc/56/42/61/569564261.db2.gz ZYHVKVFHINUICO-UHFFFAOYSA-N 0 0 438.513 3.453 50 0 IGAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000009737568 569564819 /nfs/dbraw/zinc/56/48/19/569564819.db2.gz KSORRIDCWNYDLM-UHFFFAOYSA-N 0 0 429.860 3.273 50 0 IGAARN CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2cccc(C(F)(F)F)c2)nc3C(N)=O)cc1 ZINC000009739039 569564953 /nfs/dbraw/zinc/56/49/53/569564953.db2.gz IUNFQVCEMRUNSE-UHFFFAOYSA-N 0 0 443.385 3.292 50 0 IGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000009741221 569565242 /nfs/dbraw/zinc/56/52/42/569565242.db2.gz 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Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc12 ZINC000009767375 569566863 /nfs/dbraw/zinc/56/68/63/569566863.db2.gz MJARSAPGOAKJEH-HNNXBMFYSA-N 0 0 437.974 3.367 50 0 IGAARN CCCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000009777759 569567204 /nfs/dbraw/zinc/56/72/04/569567204.db2.gz VQFYAAMEJDHUKR-JTQLQIEISA-N 0 0 432.618 3.197 50 0 IGAARN COc1cccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccccc2OC)c1 ZINC000009778819 569567307 /nfs/dbraw/zinc/56/73/07/569567307.db2.gz AYBUDSJLFBOFPO-YADHBBJMSA-N 0 0 428.444 3.457 50 0 IGAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000009779555 569567398 /nfs/dbraw/zinc/56/73/98/569567398.db2.gz FJMCIJXRALCSRL-GOSISDBHSA-N 0 0 436.537 3.252 50 0 IGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000009789140 569568084 /nfs/dbraw/zinc/56/80/84/569568084.db2.gz SAGVPYKFNSVTHD-UHFFFAOYSA-N 0 0 443.558 3.384 50 0 IGAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4ccc5c(c4)OCO5)C3=O)ccc2c1 ZINC000009792218 569568255 /nfs/dbraw/zinc/56/82/55/569568255.db2.gz WTXJLNMXMHKBQY-DEOSSOPVSA-N 0 0 432.432 3.227 50 0 IGAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O ZINC000009791695 569568268 /nfs/dbraw/zinc/56/82/68/569568268.db2.gz JITQVHJKUZHUHV-OXQOHEQNSA-N 0 0 447.491 3.226 50 0 IGAARN Cn1c2ccccc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009793135 569568353 /nfs/dbraw/zinc/56/83/53/569568353.db2.gz BFOCSBOOXGQFAQ-UHFFFAOYSA-N 0 0 430.555 3.089 50 0 IGAARN O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009798603 569568578 /nfs/dbraw/zinc/56/85/78/569568578.db2.gz TUDPUVBAIGUCIH-UHFFFAOYSA-N 0 0 441.578 3.189 50 0 IGAARN CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000009806587 569568963 /nfs/dbraw/zinc/56/89/63/569568963.db2.gz REYJZHGJPLJMIB-INIZCTEOSA-N 0 0 437.512 3.175 50 0 IGAARN COc1ccc(C)cc1NC(=O)c1cn(C)c2c1[nH]c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000009820059 569569370 /nfs/dbraw/zinc/56/93/70/569569370.db2.gz RFVPQFVEXCZNGF-UHFFFAOYSA-N 0 0 438.871 3.240 50 0 IGAARN CCSc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1 ZINC000009821224 569569466 /nfs/dbraw/zinc/56/94/66/569569466.db2.gz QTVKZGGXWDOPHX-UHFFFAOYSA-N 0 0 431.520 3.280 50 0 IGAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1)c2=O)c1ccc(C(F)(F)F)cc1 ZINC000009822475 569569501 /nfs/dbraw/zinc/56/95/01/569569501.db2.gz GMVLIWRHXORWPK-UHFFFAOYSA-N 0 0 441.413 3.090 50 0 IGAARN CN1c2ccccc2Oc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2C1=O ZINC000009827820 569569672 /nfs/dbraw/zinc/56/96/72/569569672.db2.gz BZISGQSICCJBCB-UHFFFAOYSA-N 0 0 427.416 3.304 50 0 IGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 ZINC000009834036 569570528 /nfs/dbraw/zinc/57/05/28/569570528.db2.gz KOGQCEGTNPFSQJ-UHFFFAOYSA-N 0 0 428.554 3.306 50 0 IGAARN COc1cccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(C)nn32)c1 ZINC000009838516 569570864 /nfs/dbraw/zinc/57/08/64/569570864.db2.gz VJVPQDMIYFHCLK-UHFFFAOYSA-N 0 0 439.497 3.343 50 0 IGAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000009844393 569570871 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COc1ccc(CC(=O)NCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000009328274 556282372 /nfs/dbraw/zinc/28/23/72/556282372.db2.gz FXJRBWWCWYNLAD-UHFFFAOYSA-N 0 0 444.944 3.311 50 0 IGAARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000009329308 556282660 /nfs/dbraw/zinc/28/26/60/556282660.db2.gz YJCPQXOFKPKJKS-MRXNPFEDSA-N 0 0 443.931 3.483 50 0 IGAARN O=C(COc1ccccc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009345241 556283785 /nfs/dbraw/zinc/28/37/85/556283785.db2.gz LYGKWXTZDPBAER-QGZVFWFLSA-N 0 0 438.343 3.044 50 0 IGAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000009426533 556290268 /nfs/dbraw/zinc/29/02/68/556290268.db2.gz LNPVHALTJMWCTN-DLBZAZTESA-N 0 0 429.542 3.063 50 0 IGAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccc3c(c2)OCO3)N1CCc1ccccc1 ZINC000013736468 556297714 /nfs/dbraw/zinc/29/77/14/556297714.db2.gz AVGRHYKDSFFSEI-HYBUGGRVSA-N 0 0 437.517 3.307 50 0 IGAARN COc1ccc(-c2cc(NC(=O)Cc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013736078 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Cc1ccc2c(c1)[C@](O)(CC(=O)c1cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c1)C(=O)N2 ZINC000016348165 556601819 /nfs/dbraw/zinc/60/18/19/556601819.db2.gz LGVKFEIWERXAHA-DPOKWSEZSA-N 0 0 432.476 3.087 50 0 IGAARN CCOc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032987750 556608228 /nfs/dbraw/zinc/60/82/28/556608228.db2.gz JCZGNHXDURWXLI-UHFFFAOYSA-N 0 0 444.488 3.161 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCC(C(=O)OCC)CC1)C[C@@H](C)CC2 ZINC000016476456 556610646 /nfs/dbraw/zinc/61/06/46/556610646.db2.gz DNKNOLKCNFTNSX-AWEZNQCLSA-N 0 0 436.574 3.263 50 0 IGAARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Br)cc1F ZINC000032915452 556612544 /nfs/dbraw/zinc/61/25/44/556612544.db2.gz MHUXKZKUXILPRR-UHFFFAOYSA-N 0 0 426.673 3.430 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C ZINC000016527048 556614325 /nfs/dbraw/zinc/61/43/25/556614325.db2.gz MJQJLBJUJOCKJD-UHFFFAOYSA-N 0 0 425.510 3.194 50 0 IGAARN O=C(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000016641518 556619773 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CCOC(=O)c1nnn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C(=O)OCC ZINC000001384427 568784330 /nfs/dbraw/zinc/78/43/30/568784330.db2.gz AJMIJFFMHZEXJS-UHFFFAOYSA-N 0 0 435.362 3.097 50 0 IGAARN Cn1nc(C(F)(F)F)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1N1CCOCC1 ZINC000001399520 568785866 /nfs/dbraw/zinc/78/58/66/568785866.db2.gz BXGRJWBBIXQISX-UHFFFAOYSA-N 0 0 436.356 3.224 50 0 IGAARN CC(=O)N1CCc2cc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)ccc21 ZINC000032209207 568787257 /nfs/dbraw/zinc/78/72/57/568787257.db2.gz BEVMGMNRIHKVCN-UHFFFAOYSA-N 0 0 436.537 3.275 50 0 IGAARN Cc1nn(C(=O)Cn2nc(C)c(I)c2C)c(C)c1Br ZINC000001430030 568794361 /nfs/dbraw/zinc/79/43/61/568794361.db2.gz PMTGJOIUGJWBAD-UHFFFAOYSA-N 0 0 437.079 3.021 50 0 IGAARN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000084200480 568796065 /nfs/dbraw/zinc/79/60/65/568796065.db2.gz AZJHURHLHMVGFB-FQEVSTJZSA-N 0 0 425.529 3.094 50 0 IGAARN CC(C)(C)c1cc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)n(-c2ncccn2)n1 ZINC000084241158 568796450 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/nfs/dbraw/zinc/84/39/68/568843968.db2.gz DDNFNZMFXRMHIQ-LYOSLQBBSA-N 0 0 432.557 3.290 50 0 IGAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006147872 568846443 /nfs/dbraw/zinc/84/64/43/568846443.db2.gz HBEDSOKDMVXABN-UHFFFAOYSA-N 0 0 426.542 3.412 50 0 IGAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 ZINC000015863957 568849556 /nfs/dbraw/zinc/84/95/56/568849556.db2.gz NVBMBLJIUSTSIK-HNNXBMFYSA-N 0 0 444.513 3.241 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000015881775 568856194 /nfs/dbraw/zinc/85/61/94/568856194.db2.gz PVSJGAQONDYHMG-UHFFFAOYSA-N 0 0 449.492 3.404 50 0 IGAARN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882613 568856968 /nfs/dbraw/zinc/85/69/68/568856968.db2.gz QXYPYEQGYIGHKG-HSZRJFAPSA-N 0 0 444.535 3.335 50 0 IGAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(Cl)c1 ZINC000015883734 568857884 /nfs/dbraw/zinc/85/78/84/568857884.db2.gz CIQHJHJMHDSQPU-UHFFFAOYSA-N 0 0 446.960 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C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012987137 568895062 /nfs/dbraw/zinc/89/50/62/568895062.db2.gz NKMSWJHUPGRKND-UHSVVUDUSA-N 0 0 430.492 3.457 50 0 IGAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012983510 568895305 /nfs/dbraw/zinc/89/53/05/568895305.db2.gz SEIVXYFNJVCKFF-UHFFFAOYSA-N 0 0 441.509 3.359 50 0 IGAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1 ZINC000040135703 568896450 /nfs/dbraw/zinc/89/64/50/568896450.db2.gz QCGUQVMKIWGAPE-JIOITTSWSA-N 0 0 434.496 3.164 50 0 IGAARN NC(=O)c1c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)sc2c1CCCC2 ZINC000013002177 568898283 /nfs/dbraw/zinc/89/82/83/568898283.db2.gz HQJAKYXVANUFSE-HNNXBMFYSA-N 0 0 440.569 3.015 50 0 IGAARN O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013008764 568899690 /nfs/dbraw/zinc/89/96/90/568899690.db2.gz HFWCZBUJCJUDCO-HXUWFJFHSA-N 0 0 433.439 3.489 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ncccc43)CC2)cc1 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/nfs/dbraw/zinc/92/55/26/568925526.db2.gz ZZHBGMWMLSOKHQ-MRXNPFEDSA-N 0 0 427.888 3.011 50 0 IGAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000016609304 568925787 /nfs/dbraw/zinc/92/57/87/568925787.db2.gz ARAUOYQHTUVWNQ-OAQYLSRUSA-N 0 0 439.537 3.402 50 0 IGAARN COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)Nc2ccccc2SC(F)F)C1=O ZINC000089466903 568925880 /nfs/dbraw/zinc/92/58/80/568925880.db2.gz FCDHBYIXEOHNRD-NRFANRHFSA-N 0 0 447.463 3.342 50 0 IGAARN Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000016622891 568926541 /nfs/dbraw/zinc/92/65/41/568926541.db2.gz HYYSZWYZSYDXSJ-UHFFFAOYSA-N 0 0 445.888 3.305 50 0 IGAARN COc1cccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c1 ZINC000064438510 568928324 /nfs/dbraw/zinc/92/83/24/568928324.db2.gz XKXGRSFURUFIOR-UHFFFAOYSA-N 0 0 449.551 3.449 50 0 IGAARN COc1ccc(CN(C)C(=O)CN2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000064515862 568931248 /nfs/dbraw/zinc/93/12/48/568931248.db2.gz VWCYWSZULWRZHQ-HXUWFJFHSA-N 0 0 433.346 3.490 50 0 IGAARN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1ccccc1Br)C2 ZINC000064566079 568932855 /nfs/dbraw/zinc/93/28/55/568932855.db2.gz SDKZBSMWSAHHRV-UHFFFAOYSA-N 0 0 428.290 3.309 50 0 IGAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000064567148 568933378 /nfs/dbraw/zinc/93/33/78/568933378.db2.gz ULDHYUNUNYIXED-UHFFFAOYSA-N 0 0 446.964 3.038 50 0 IGAARN O=C(CC1CCCCC1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579029 568934049 /nfs/dbraw/zinc/93/40/49/568934049.db2.gz KRJFDFXXIWKWSK-UHFFFAOYSA-N 0 0 445.567 3.459 50 0 IGAARN CC[C@H](C)NC(=O)NC1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000064579298 568934377 /nfs/dbraw/zinc/93/43/77/568934377.db2.gz LNYIROIWVAIOFV-SFHVURJKSA-N 0 0 448.571 3.215 50 0 IGAARN CCc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)cc1 ZINC000064588594 568934739 /nfs/dbraw/zinc/93/47/39/568934739.db2.gz IHUBEORLLBZUOB-UHFFFAOYSA-N 0 0 434.521 3.384 50 0 IGAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccccc3Cl)nnc2c1=O ZINC000064593059 568935656 /nfs/dbraw/zinc/93/56/56/568935656.db2.gz NGZZEYFVDCFRED-UHFFFAOYSA-N 0 0 441.900 3.273 50 0 IGAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2=O)cc1 ZINC000064593163 568935760 /nfs/dbraw/zinc/93/57/60/568935760.db2.gz ZFMFKEAMEDKYRT-UHFFFAOYSA-N 0 0 441.900 3.273 50 0 IGAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2c1=O ZINC000064593089 568935798 /nfs/dbraw/zinc/93/57/98/568935798.db2.gz LQPZWVJFRWUVSN-UHFFFAOYSA-N 0 0 441.900 3.273 50 0 IGAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1ccc(Cl)cc1 ZINC000064593359 568935864 /nfs/dbraw/zinc/93/58/64/568935864.db2.gz HMEXFYNPEXNCAG-UHFFFAOYSA-N 0 0 429.864 3.404 50 0 IGAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1ccc(OC)cc1 ZINC000064593492 568935895 /nfs/dbraw/zinc/93/58/95/568935895.db2.gz USLLSUYCCSPDHF-GOSISDBHSA-N 0 0 435.509 3.398 50 0 IGAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000064605010 568939092 /nfs/dbraw/zinc/93/90/92/568939092.db2.gz NYHYUCVWKVNTHV-UHFFFAOYSA-N 0 0 432.814 3.439 50 0 IGAARN CC[C@H](C)N(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)Cc1cc(OC)ccc1OC ZINC000036082618 568946814 /nfs/dbraw/zinc/94/68/14/568946814.db2.gz RIFIRSHWZGIBRL-LPHOPBHVSA-N 0 0 431.533 3.401 50 0 IGAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NCCc3ccccn3)co2)C(C)C)c1 ZINC000036083015 568947016 /nfs/dbraw/zinc/94/70/16/568947016.db2.gz IGKSXPJQXFNSCG-UHFFFAOYSA-N 0 0 438.528 3.470 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)N(C)Cc2ccccc2)nn(-c2ccccc2)c1=O ZINC000036086083 568948394 /nfs/dbraw/zinc/94/83/94/568948394.db2.gz SJZCMCPVAJONOD-UHFFFAOYSA-N 0 0 440.503 3.023 50 0 IGAARN CC(C)CNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087538 568949576 /nfs/dbraw/zinc/94/95/76/568949576.db2.gz UYIKLDIXKBTSAH-UHFFFAOYSA-N 0 0 447.322 3.135 50 0 IGAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036087813 568949959 /nfs/dbraw/zinc/94/99/59/568949959.db2.gz XEEYGMJTXSQCNQ-MRXNPFEDSA-N 0 0 438.503 3.233 50 0 IGAARN CC[C@H](C)NC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036094044 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ZINC000009529879 569544980 /nfs/dbraw/zinc/54/49/80/569544980.db2.gz KGPYOQYGNKLXJR-JKSUJKDBSA-N 0 0 439.921 3.412 50 0 IGAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000009531324 569545182 /nfs/dbraw/zinc/54/51/82/569545182.db2.gz ZNSMFWKCLPJSQQ-OAHLLOKOSA-N 0 0 429.904 3.189 50 0 IGAARN COc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009533599 569545459 /nfs/dbraw/zinc/54/54/59/569545459.db2.gz GRGHQZOEPWHUNA-UHFFFAOYSA-N 0 0 446.569 3.411 50 0 IGAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)COC(=O)CCC(=O)c1ccc(F)cc1 ZINC000009539664 569545636 /nfs/dbraw/zinc/54/56/36/569545636.db2.gz WHBYRPQILZEYLZ-UHFFFAOYSA-N 0 0 446.402 3.246 50 0 IGAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)[C@@H]1C ZINC000009539878 569545685 /nfs/dbraw/zinc/54/56/85/569545685.db2.gz CKMJQACKGYEAJZ-LZJOCLMNSA-N 0 0 433.508 3.483 50 0 IGAARN Oc1ccc([C@@H]2CC(c3cccc(-n4cnnn4)c3)=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000009545028 569546084 /nfs/dbraw/zinc/54/60/84/569546084.db2.gz 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COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(C)cc3)nn12 ZINC000009568974 569547487 /nfs/dbraw/zinc/54/74/87/569547487.db2.gz NFCVKNAGVCBZHY-UHFFFAOYSA-N 0 0 435.509 3.072 50 0 IGAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1F ZINC000009568999 569547500 /nfs/dbraw/zinc/54/75/00/569547500.db2.gz AVSIJHKAHNPTIX-UHFFFAOYSA-N 0 0 427.436 3.033 50 0 IGAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)c4ccccc4)nn32)cc1 ZINC000009578663 569548375 /nfs/dbraw/zinc/54/83/75/569548375.db2.gz ZNBPPNJNBNUSIJ-UHFFFAOYSA-N 0 0 447.520 3.080 50 0 IGAARN COc1ccc(C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2ccc(OC)cc2)cc1 ZINC000009578938 569548443 /nfs/dbraw/zinc/54/84/43/569548443.db2.gz WVDQQYUGWVZYTF-HSZRJFAPSA-N 0 0 429.480 3.393 50 0 IGAARN CCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3OC(C)=O)O2)c1 ZINC000009586462 569549658 /nfs/dbraw/zinc/54/96/58/569549658.db2.gz OABVUHFNYIDJOP-JOCHJYFZSA-N 0 0 425.441 3.208 50 0 IGAARN CCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(OC)c3OC(C)=O)O2)c1 ZINC000009586458 569549684 /nfs/dbraw/zinc/54/96/84/569549684.db2.gz OABVUHFNYIDJOP-QFIPXVFZSA-N 0 0 425.441 3.208 50 0 IGAARN CC(=O)N(C[C@H]1OC(c2ccc3c(c2)OCO3)=NN1C(C)=O)c1ccc(Cl)cc1C ZINC000009587317 569549784 /nfs/dbraw/zinc/54/97/84/569549784.db2.gz RWPZQJZKDFKAAH-HXUWFJFHSA-N 0 0 429.860 3.297 50 0 IGAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000009587126 569549788 /nfs/dbraw/zinc/54/97/88/569549788.db2.gz CNISXGPRUDIVGD-HXUWFJFHSA-N 0 0 445.560 3.050 50 0 IGAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)n1nc(-n2nc(C)cc2C)ccc1=O ZINC000070655937 569550061 /nfs/dbraw/zinc/55/00/61/569550061.db2.gz IRAVFOJGKBNJEZ-CYBMUJFWSA-N 0 0 435.406 3.273 50 0 IGAARN O=C(CSc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21)N1CCCC1 ZINC000009590994 569550113 /nfs/dbraw/zinc/55/01/13/569550113.db2.gz BTHJGCIIKVTQEJ-UHFFFAOYSA-N 0 0 439.537 3.291 50 0 IGAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cccc3)c3ccccc3C(=O)N2C)cc1OC ZINC000070666389 569550607 /nfs/dbraw/zinc/55/06/07/569550607.db2.gz GNMFDNFIAWKEHM-XZOQPEGZSA-N 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Cc1cccc2sc(OC3CN(C(=O)CCCS(=O)(=O)c4ccccc4)C3)nc21 ZINC000077101040 569585522 /nfs/dbraw/zinc/58/55/22/569585522.db2.gz ARWFABVEOABZEG-UHFFFAOYSA-N 0 0 430.551 3.448 50 0 IGAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077159176 569585814 /nfs/dbraw/zinc/58/58/14/569585814.db2.gz XFZGAVKGPPPDAX-UHFFFAOYSA-N 0 0 428.492 3.115 50 0 IGAARN C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000077184284 569585843 /nfs/dbraw/zinc/58/58/43/569585843.db2.gz GTXNALKKDDEYNW-QHCPKHFHSA-N 0 0 425.506 3.311 50 0 IGAARN C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000077184281 569585879 /nfs/dbraw/zinc/58/58/79/569585879.db2.gz GTXNALKKDDEYNW-HSZRJFAPSA-N 0 0 425.506 3.311 50 0 IGAARN O=C(C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1)N1CCC2(CC1)OCCO2 ZINC000077191750 569585998 /nfs/dbraw/zinc/58/59/98/569585998.db2.gz ZLCGRHKQSFMGDX-UHFFFAOYSA-N 0 0 427.448 3.117 50 0 IGAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)NC1=O ZINC000078499483 569586683 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COc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000036045344 523668278 /nfs/dbraw/zinc/66/82/78/523668278.db2.gz KPABZHQHKNOUAE-NHCUHLMSSA-N 0 0 426.513 3.093 50 0 IGAARN COCCN(CCC(=O)NCc1ccccc1)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002449 523690413 /nfs/dbraw/zinc/69/04/13/523690413.db2.gz DYGAGYZWRQACAD-UHFFFAOYSA-N 0 0 437.496 3.145 50 0 IGAARN COc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000016959634 523707629 /nfs/dbraw/zinc/70/76/29/523707629.db2.gz WBLDEIQOJBULCS-HXUWFJFHSA-N 0 0 433.457 3.381 50 0 IGAARN COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N(C)C ZINC000012614068 523713638 /nfs/dbraw/zinc/71/36/38/523713638.db2.gz JAVDMCPUXGPWKX-UHFFFAOYSA-N 0 0 445.566 3.307 50 0 IGAARN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(Br)c(C)c3)ccc21 ZINC000032983326 523762171 /nfs/dbraw/zinc/76/21/71/523762171.db2.gz ZQBCLQQIFBPUIQ-UHFFFAOYSA-N 0 0 430.306 3.233 50 0 IGAARN CCc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000036038494 523796870 /nfs/dbraw/zinc/79/68/70/523796870.db2.gz SEPJDWOAFGENMX-FQEVSTJZSA-N 0 0 442.585 3.077 50 0 IGAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403148 523803049 /nfs/dbraw/zinc/80/30/49/523803049.db2.gz XKFDOKFNBFOMRJ-LJQANCHMSA-N 0 0 431.895 3.376 50 0 IGAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907509 523820150 /nfs/dbraw/zinc/82/01/50/523820150.db2.gz VJAOURUBHUUGFT-NRFANRHFSA-N 0 0 433.508 3.451 50 0 IGAARN COc1ccc(C)cc1NC(=O)CN1CCCN(Cc2cc(C)ccc2C)S1(=O)=O ZINC000012415338 523824222 /nfs/dbraw/zinc/82/42/22/523824222.db2.gz CVHHYTBKOIMOIZ-UHFFFAOYSA-N 0 0 431.558 3.012 50 0 IGAARN COc1ccc(C)cc1NC(=O)CNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC000023003091 523825717 /nfs/dbraw/zinc/82/57/17/523825717.db2.gz SABUDTRUXYUGKW-UHFFFAOYSA-N 0 0 428.489 3.419 50 0 IGAARN CN(C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012485796 523840473 /nfs/dbraw/zinc/84/04/73/523840473.db2.gz ULCKHYVGLZOWEH-SFHVURJKSA-N 0 0 448.614 3.053 50 0 IGAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961219 523874986 /nfs/dbraw/zinc/87/49/86/523874986.db2.gz YEJJOJJOIJCRLA-OAQYLSRUSA-N 0 0 438.528 3.431 50 0 IGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F ZINC000020745567 523899570 /nfs/dbraw/zinc/89/95/70/523899570.db2.gz KJVGMLADYODJOE-DOTOQJQBSA-N 0 0 440.928 3.154 50 0 IGAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cc(Cl)ccc3OC)S2(=O)=O)cc1 ZINC000035534720 523902204 /nfs/dbraw/zinc/90/22/04/523902204.db2.gz BDLWIRRWAFTQEU-UHFFFAOYSA-N 0 0 448.928 3.453 50 0 IGAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000041157269 523910756 /nfs/dbraw/zinc/91/07/56/523910756.db2.gz ZUKXHNUNXWJAOJ-ZEQRLZLVSA-N 0 0 444.531 3.237 50 0 IGAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC ZINC000012323279 523965997 /nfs/dbraw/zinc/96/59/97/523965997.db2.gz OPIYXELPXAKHSI-LJQANCHMSA-N 0 0 435.524 3.396 50 0 IGAARN COc1ccc(CCNc2ncnc3sc(C(=O)N[C@H]4CCOC4)c(C)c32)cc1OC 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C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012855718 524141525 /nfs/dbraw/zinc/14/15/25/524141525.db2.gz ZVVHMDHLVWCQGM-HNNXBMFYSA-N 0 0 435.446 3.429 50 0 IGAARN C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O ZINC000012758411 524166461 /nfs/dbraw/zinc/16/64/61/524166461.db2.gz IAUZNBRVEXWRFZ-CXAGYDPISA-N 0 0 433.434 3.296 50 0 IGAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCCc2nc3ccccc3[nH]2)CC1=O ZINC000021528316 524217936 /nfs/dbraw/zinc/21/79/36/524217936.db2.gz OHQMVLIMDLPVKU-AWEZNQCLSA-N 0 0 426.904 3.327 50 0 IGAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000021180005 524219865 /nfs/dbraw/zinc/21/98/65/524219865.db2.gz RLVZPLBBTMOWOV-UHFFFAOYSA-N 0 0 443.459 3.389 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000012920448 524221844 /nfs/dbraw/zinc/22/18/44/524221844.db2.gz XHNPGDNJJPZBOX-KRWDZBQOSA-N 0 0 433.917 3.249 50 0 IGAARN Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)[nH]1 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COc1ccccc1CCNC(=O)CC[C@@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1 ZINC000012203567 524411981 /nfs/dbraw/zinc/41/19/81/524411981.db2.gz UGGLSCUJVNHOJC-DEOSSOPVSA-N 0 0 428.504 3.173 50 0 IGAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c1 ZINC000012683745 524418557 /nfs/dbraw/zinc/41/85/57/524418557.db2.gz IUKAMDBQNBGABU-FQEVSTJZSA-N 0 0 430.302 3.472 50 0 IGAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000024023770 524442548 /nfs/dbraw/zinc/44/25/48/524442548.db2.gz GJTOGFFCNPPVMH-OALUTQOASA-N 0 0 426.538 3.461 50 0 IGAARN Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)C(=O)C2=O)cc1 ZINC000035376538 524457484 /nfs/dbraw/zinc/45/74/84/524457484.db2.gz ZUACXRGPBYFOPW-UHFFFAOYSA-N 0 0 439.943 3.124 50 0 IGAARN Cc1ccc(CN2c3ccccc3[C@@]3(C2=O)N(c2ccc(C)cc2)C(=O)CS3(=O)=O)cc1 ZINC000020577285 524486409 /nfs/dbraw/zinc/48/64/09/524486409.db2.gz MZWIEQLUWRRDSM-RUZDIDTESA-N 0 0 446.528 3.465 50 0 IGAARN COc1ccc(NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c(OC)c1 ZINC000035373353 524487336 /nfs/dbraw/zinc/48/73/36/524487336.db2.gz JMDVFHWSIWBKRZ-UHFFFAOYSA-N 0 0 434.452 3.475 50 0 IGAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)c2)n1 ZINC000012447978 524491032 /nfs/dbraw/zinc/49/10/32/524491032.db2.gz RZEIGHKETLVLPK-JOCHJYFZSA-N 0 0 445.567 3.324 50 0 IGAARN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2cccc(C)c2)cc1 ZINC000008741522 524523864 /nfs/dbraw/zinc/52/38/64/524523864.db2.gz VMZUERNXXQDOEQ-DLBZAZTESA-N 0 0 430.526 3.022 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl ZINC000016648151 524532539 /nfs/dbraw/zinc/53/25/39/524532539.db2.gz ASOFAWWWQITUTD-UHFFFAOYSA-N 0 0 440.887 3.478 50 0 IGAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NCc2ccco2)C3=O)c1 ZINC000020573880 524533424 /nfs/dbraw/zinc/53/34/24/524533424.db2.gz JKZRDQWNMLNSEW-DEOSSOPVSA-N 0 0 447.516 3.184 50 0 IGAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)NCc2ccccc2)CC1 ZINC000033292897 524565506 /nfs/dbraw/zinc/56/55/06/524565506.db2.gz YOIQXVOPSVMAQN-UHFFFAOYSA-N 0 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COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000023640311 524620176 /nfs/dbraw/zinc/62/01/76/524620176.db2.gz MECWJSKHAJMLKA-CQSZACIVSA-N 0 0 448.431 3.268 50 0 IGAARN COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000016600108 524643549 /nfs/dbraw/zinc/64/35/49/524643549.db2.gz SFUQSMJCMSEHQU-UHFFFAOYSA-N 0 0 433.574 3.345 50 0 IGAARN Cc1cc(CN(C)C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)on1 ZINC000012190411 524647891 /nfs/dbraw/zinc/64/78/91/524647891.db2.gz GIHSZXXOAJKHIV-OAQYLSRUSA-N 0 0 449.429 3.210 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1 ZINC000012561198 524659397 /nfs/dbraw/zinc/65/93/97/524659397.db2.gz HRDFJFSTVFRLMX-RCRSHMOFSA-N 0 0 432.586 3.183 50 0 IGAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1 ZINC000012526209 524694722 /nfs/dbraw/zinc/69/47/22/524694722.db2.gz CIBSUIFLISKWMZ-HXUWFJFHSA-N 0 0 443.525 3.122 50 0 IGAARN COc1ccc(Nc2nc(N3CCN(c4ccccc4OC)CC3)nc3c2cnn3C)cc1 ZINC000017148937 524719552 /nfs/dbraw/zinc/71/95/52/524719552.db2.gz HMLSOQJCDWAYAO-UHFFFAOYSA-N 0 0 445.527 3.451 50 0 IGAARN Cc1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C ZINC000012595603 524741158 /nfs/dbraw/zinc/74/11/58/524741158.db2.gz MNGWVANHDYXFQN-LJQANCHMSA-N 0 0 430.556 3.207 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000035428481 524742139 /nfs/dbraw/zinc/74/21/39/524742139.db2.gz KEVXUVDWPZPHCP-UHFFFAOYSA-N 0 0 428.341 3.303 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021634130 524743559 /nfs/dbraw/zinc/74/35/59/524743559.db2.gz NJUNFHFJVWPVFW-UHFFFAOYSA-N 0 0 428.341 3.303 50 0 IGAARN C[C@H](Cc1ccco1)NC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109874 524743841 /nfs/dbraw/zinc/74/38/41/524743841.db2.gz UEAPHSRZNCEJMN-OKXSDPAFSA-N 0 0 436.537 3.252 50 0 IGAARN C[C@@H]1CN(C(=O)Cn2cc(S(=O)(=O)Cc3ccc(F)cc3)c3ccccc32)C[C@H](C)O1 ZINC000017246399 524800265 /nfs/dbraw/zinc/80/02/65/524800265.db2.gz VTJKAUIQWKUWAQ-CALCHBBNSA-N 0 0 444.528 3.390 50 0 IGAARN COc1ccc(OC)c(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2cc(C)c(Cl)cc2OC)c1 ZINC000012279664 524814819 /nfs/dbraw/zinc/81/48/19/524814819.db2.gz MBXSMYLCMCKGMP-KXBFYZLASA-N 0 0 444.915 3.233 50 0 IGAARN COc1ccccc1[C@]1(CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC(=O)N(C)C1=O ZINC000014879544 524821327 /nfs/dbraw/zinc/82/13/27/524821327.db2.gz RSQXRHWKIAGXBI-ZMCQLTRBSA-N 0 0 438.568 3.387 50 0 IGAARN Cc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[NH+]2CCC(C(N)=O)CC2)c1 ZINC000022852334 524839965 /nfs/dbraw/zinc/83/99/65/524839965.db2.gz NCOWQGMNPFRVFR-KRWDZBQOSA-N 0 0 437.525 3.352 50 0 IGAARN COc1ccc(OC)c(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)c1 ZINC000033277596 524848329 /nfs/dbraw/zinc/84/83/29/524848329.db2.gz XZWACCZIGOEIOX-UHFFFAOYSA-N 0 0 434.452 3.406 50 0 IGAARN COc1ccc(OC)c(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000021967746 524850208 /nfs/dbraw/zinc/85/02/08/524850208.db2.gz XHCBAUIHOCLKLD-UHFFFAOYSA-N 0 0 441.484 3.130 50 0 IGAARN COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1 ZINC000020582237 524914329 /nfs/dbraw/zinc/91/43/29/524914329.db2.gz YMLZEQFVJDKCGZ-HNNXBMFYSA-N 0 0 444.553 3.136 50 0 IGAARN Cc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000020577232 524920110 /nfs/dbraw/zinc/92/01/10/524920110.db2.gz BCPIIOOIFQVCHB-DEOSSOPVSA-N 0 0 432.501 3.156 50 0 IGAARN Cc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1C ZINC000020577210 524921381 /nfs/dbraw/zinc/92/13/81/524921381.db2.gz MAVRXLHBTSXROM-VWLOTQADSA-N 0 0 446.528 3.465 50 0 IGAARN COc1ccc(OCCOc2cccc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c2)cc1 ZINC000020896529 524964590 /nfs/dbraw/zinc/96/45/90/524964590.db2.gz MYXMJYISQCKOTD-FQEVSTJZSA-N 0 0 429.498 3.154 50 0 IGAARN COc1ccc(OCc2cc(C(=O)N3CCC[C@H](CN4CCCC4=O)C3)no2)c(Cl)c1 ZINC000012206498 524973435 /nfs/dbraw/zinc/97/34/35/524973435.db2.gz CVFKBESIJARMNV-OAHLLOKOSA-N 0 0 447.919 3.390 50 0 IGAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)CC2=O)cc1 ZINC000009667488 524978742 /nfs/dbraw/zinc/97/87/42/524978742.db2.gz VBHLNMFICLEQMN-QHCPKHFHSA-N 0 0 445.563 3.171 50 0 IGAARN Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000021113565 524987203 /nfs/dbraw/zinc/98/72/03/524987203.db2.gz PXZXLHGCJLYJSN-UHFFFAOYSA-N 0 0 443.500 3.015 50 0 IGAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000012594608 524995670 /nfs/dbraw/zinc/99/56/70/524995670.db2.gz XMUVLKTZLRSNII-AWEZNQCLSA-N 0 0 448.504 3.248 50 0 IGAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2cc(F)ccc2F)n1 ZINC000021537417 525012858 /nfs/dbraw/zinc/01/28/58/525012858.db2.gz UGGSDXSRZMGIQT-UHFFFAOYSA-N 0 0 427.436 3.402 50 0 IGAARN Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000012866753 525018895 /nfs/dbraw/zinc/01/88/95/525018895.db2.gz XXYBLIWPPSMYDP-UHFFFAOYSA-N 0 0 432.933 3.205 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1 ZINC000034927621 525024039 /nfs/dbraw/zinc/02/40/39/525024039.db2.gz SYTCTEDJKBRSMO-UHFFFAOYSA-N 0 0 432.567 3.264 50 0 IGAARN C[C@@H]1CN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000012550562 525030848 /nfs/dbraw/zinc/03/08/48/525030848.db2.gz RKOLAKKTXQNWIA-DTORHVGOSA-N 0 0 431.128 3.057 50 0 IGAARN Cc1ccc(NC(=O)CCNC(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009751080 525034453 /nfs/dbraw/zinc/03/44/53/525034453.db2.gz TYUCONBUVZJMHV-UHFFFAOYSA-N 0 0 444.557 3.320 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000012361722 525044271 /nfs/dbraw/zinc/04/42/71/525044271.db2.gz QYBNVNKJESNTGG-JOCHJYFZSA-N 0 0 428.510 3.308 50 0 IGAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(C(C)C)cc3)c(=O)n2N)c(C)c1 ZINC000012348065 525083602 /nfs/dbraw/zinc/08/36/02/525083602.db2.gz HCUGLTQEOMPZAA-UHFFFAOYSA-N 0 0 437.569 3.414 50 0 IGAARN COc1ccc(S(=O)(=O)c2nc(-c3cccc(OC)c3)oc2N2CCOCC2)cc1 ZINC000012370950 525094486 /nfs/dbraw/zinc/09/44/86/525094486.db2.gz QZUYZASZSFGZDV-UHFFFAOYSA-N 0 0 430.482 3.028 50 0 IGAARN 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COc1cc(CNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc(OC)c1 ZINC000014885989 556455151 /nfs/dbraw/zinc/45/51/51/556455151.db2.gz GRIDCRFJVWNVBF-DEOSSOPVSA-N 0 0 444.503 3.139 50 0 IGAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)NC[C@@H]3CCCO3)cc2OC)cc1 ZINC000028491168 556455712 /nfs/dbraw/zinc/45/57/12/556455712.db2.gz OUSUUELOKFNYFD-IBGZPJMESA-N 0 0 428.485 3.020 50 0 IGAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013096138 556456964 /nfs/dbraw/zinc/45/69/64/556456964.db2.gz PUHJLNADJYKONJ-UHFFFAOYSA-N 0 0 444.553 3.295 50 0 IGAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3nc4ccccn4c3=S)CC2)cc1 ZINC000013097647 556458317 /nfs/dbraw/zinc/45/83/17/556458317.db2.gz ZKXFZJBDTFVZRF-QGZVFWFLSA-N 0 0 445.614 3.343 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)C[C@H](C)O1 ZINC000014910594 556458491 /nfs/dbraw/zinc/45/84/91/556458491.db2.gz OZIJUZRYPBREGM-HDICACEKSA-N 0 0 443.569 3.337 50 0 IGAARN Cc1nc(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)sc1CC(N)=O ZINC000032871394 556462712 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ZINC000032871062 556472287 /nfs/dbraw/zinc/47/22/87/556472287.db2.gz ZWXFOEGRPWJCIP-UHFFFAOYSA-N 0 0 430.442 3.240 50 0 IGAARN COC[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)C1 ZINC000014986743 556473056 /nfs/dbraw/zinc/47/30/56/556473056.db2.gz FCQJXUVCRKUOBO-HOYKHHGWSA-N 0 0 440.565 3.220 50 0 IGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1 ZINC000013121463 556474147 /nfs/dbraw/zinc/47/41/47/556474147.db2.gz UIATUZNXPWLSLA-NRFANRHFSA-N 0 0 433.599 3.255 50 0 IGAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000072285472 556477214 /nfs/dbraw/zinc/47/72/14/556477214.db2.gz SUVASLFDOLPYIH-UHFFFAOYSA-N 0 0 449.551 3.100 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)s3)cc(-n3cnnn3)c2)C1 ZINC000014998844 556478999 /nfs/dbraw/zinc/47/89/99/556478999.db2.gz ZIBBXXHEMQENOP-HNNXBMFYSA-N 0 0 425.514 3.115 50 0 IGAARN O=C(COC(=O)c1ccccc1-n1cnnn1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013131412 556480464 /nfs/dbraw/zinc/48/04/64/556480464.db2.gz 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NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 ZINC000013135724 556483753 /nfs/dbraw/zinc/48/37/53/556483753.db2.gz VPRIZYNHNCOEKQ-UHFFFAOYSA-N 0 0 438.534 3.404 50 0 IGAARN Cc1cccc(NC(=O)C(=O)Nc2cccc(NC(=O)C(=O)Nc3cccc(C)c3)c2)c1 ZINC000015014224 556484555 /nfs/dbraw/zinc/48/45/55/556484555.db2.gz ZPHMIJYDMKTTMG-UHFFFAOYSA-N 0 0 430.464 3.458 50 0 IGAARN CCc1nnc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)o1 ZINC000029868017 556484927 /nfs/dbraw/zinc/48/49/27/556484927.db2.gz SEYYEIYNEYNSJZ-UHFFFAOYSA-N 0 0 435.889 3.468 50 0 IGAARN O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000013141502 556486898 /nfs/dbraw/zinc/48/68/98/556486898.db2.gz UXZGNBRLGLRPRH-UHFFFAOYSA-N 0 0 435.354 3.006 50 0 IGAARN CCOC(=O)Cc1nnc(SCc2nc(-c3ccsc3)no2)n1Cc1ccco1 ZINC000029987690 556488196 /nfs/dbraw/zinc/48/81/96/556488196.db2.gz BUUIUTHGRHKXFE-UHFFFAOYSA-N 0 0 431.499 3.429 50 0 IGAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029990853 556488470 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ZINC000016959705 556650833 /nfs/dbraw/zinc/65/08/33/556650833.db2.gz IMHZKBYTFQSQRU-OAQYLSRUSA-N 0 0 442.537 3.133 50 0 IGAARN COc1ccc(-c2nc(SCc3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758169 556652548 /nfs/dbraw/zinc/65/25/48/556652548.db2.gz UNAPUTHCQSGNDH-UHFFFAOYSA-N 0 0 434.521 3.304 50 0 IGAARN O=C(CCNS(=O)(=O)c1ccccc1)NCCSc1ccc(Br)cc1 ZINC000032999756 556653497 /nfs/dbraw/zinc/65/34/97/556653497.db2.gz RHKABXHVJGZYIV-UHFFFAOYSA-N 0 0 443.388 3.026 50 0 IGAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(C)o2)c(OC)cc1Cl ZINC000017045212 556654429 /nfs/dbraw/zinc/65/44/29/556654429.db2.gz RSLAXILMGAIMSU-KRWDZBQOSA-N 0 0 430.852 3.173 50 0 IGAARN COc1ccc(-c2cc3ncnc(N4CCCC[C@@H]4CNS(C)(=O)=O)c3s2)cc1 ZINC000032926972 556656109 /nfs/dbraw/zinc/65/61/09/556656109.db2.gz UYLZZKLLBHDPGW-OAHLLOKOSA-N 0 0 432.571 3.275 50 0 IGAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5cccs5)CC4)nn32)cc1 ZINC000033010044 556657909 /nfs/dbraw/zinc/65/79/09/556657909.db2.gz FAKFCLBGCDSANR-UHFFFAOYSA-N 0 0 448.552 3.394 50 0 IGAARN CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 ZINC000011816026 556658196 /nfs/dbraw/zinc/65/81/96/556658196.db2.gz ZURLONQLJNWPIB-HOYKHHGWSA-N 0 0 430.520 3.183 50 0 IGAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000011858084 556662981 /nfs/dbraw/zinc/66/29/81/556662981.db2.gz DBZAXFVOKNIUSP-UHFFFAOYSA-N 0 0 436.555 3.160 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cn1 ZINC000011112143 556666746 /nfs/dbraw/zinc/66/67/46/556666746.db2.gz UVLREPLZZOUYOP-UHFFFAOYSA-N 0 0 445.928 3.152 50 0 IGAARN COc1ccc(S(=O)(=O)N2c3ccccc3C(=C3SC(=S)NC3=O)C2=O)cc1 ZINC000017124289 556668946 /nfs/dbraw/zinc/66/89/46/556668946.db2.gz XQKAGOWCSAKOMN-PFONDFGASA-N 0 0 432.504 3.130 50 0 IGAARN O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000017186503 556672330 /nfs/dbraw/zinc/67/23/30/556672330.db2.gz CPLJFQXRKAFIQV-UHFFFAOYSA-N 0 0 449.779 3.311 50 0 IGAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000071931627 556676132 /nfs/dbraw/zinc/67/61/32/556676132.db2.gz XRCNAYMHXBWRCR-IBGZPJMESA-N 0 0 425.897 3.311 50 0 IGAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NC[C@H]2CCCO2)cc1OC ZINC000011990557 556678603 /nfs/dbraw/zinc/67/86/03/556678603.db2.gz VVBAEKRYUAVGFA-MRXNPFEDSA-N 0 0 439.464 3.151 50 0 IGAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996837 556678809 /nfs/dbraw/zinc/67/88/09/556678809.db2.gz FZZUCBXETSEARA-QGZVFWFLSA-N 0 0 425.510 3.479 50 0 IGAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996843 556678857 /nfs/dbraw/zinc/67/88/57/556678857.db2.gz OYLVVVQOVGUFQR-GOSISDBHSA-N 0 0 425.510 3.479 50 0 IGAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012006295 556680454 /nfs/dbraw/zinc/68/04/54/556680454.db2.gz JETOUIHHUDFMJG-UHFFFAOYSA-N 0 0 425.832 3.438 50 0 IGAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)[nH]c(=O)c1C ZINC000012008502 556681000 /nfs/dbraw/zinc/68/10/00/556681000.db2.gz 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Cc1nc(CNS(=O)(=O)c2cc(Br)ccc2Br)cs1 ZINC000032937660 556690191 /nfs/dbraw/zinc/69/01/91/556690191.db2.gz MFKULVDEZRVWGH-UHFFFAOYSA-N 0 0 426.155 3.455 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136598945 556690295 /nfs/dbraw/zinc/69/02/95/556690295.db2.gz CAJNLWNSIOWMER-HOSCZWGSSA-N 0 0 449.938 3.494 50 0 IGAARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)NC1=S ZINC000001178604 556691102 /nfs/dbraw/zinc/69/11/02/556691102.db2.gz NKQXVZADGTUZCQ-PDGQHHTCSA-N 0 0 437.521 3.002 50 0 IGAARN CCN1CCN(S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)CC1 ZINC000046141531 556692957 /nfs/dbraw/zinc/69/29/57/556692957.db2.gz XJIPDVUGBIVWIM-UHFFFAOYSA-N 0 0 436.534 3.239 50 0 IGAARN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253429116 556697315 /nfs/dbraw/zinc/69/73/15/556697315.db2.gz SGJZEQWBGCVAEK-KRWDZBQOSA-N 0 0 443.352 3.042 50 0 IGAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000013696588 556712023 /nfs/dbraw/zinc/71/20/23/556712023.db2.gz DDADYYBDAZMLNQ-UHFFFAOYSA-N 0 0 426.450 3.055 50 0 IGAARN CCOc1ccccc1CNC(=O)c1ccc(NC(=O)c2nnc(COC)s2)cc1 ZINC000033032155 556712585 /nfs/dbraw/zinc/71/25/85/556712585.db2.gz YDTPRTNBOMWJRB-UHFFFAOYSA-N 0 0 426.498 3.266 50 0 IGAARN CCOc1ccc(CCNC(=O)COC(=O)c2c(OC)cccc2OC)cc1OCC ZINC000011135806 556719369 /nfs/dbraw/zinc/71/93/69/556719369.db2.gz ONSBFMJLDHPXTF-UHFFFAOYSA-N 0 0 431.485 3.017 50 0 IGAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011138275 556719719 /nfs/dbraw/zinc/71/97/19/556719719.db2.gz HAJCLCLZSCIDOY-AWEZNQCLSA-N 0 0 425.437 3.194 50 0 IGAARN COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1 ZINC000061714938 556723645 /nfs/dbraw/zinc/72/36/45/556723645.db2.gz MDVDMKBXAYTJLO-UHFFFAOYSA-N 0 0 436.512 3.032 50 0 IGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4ccccn4)cs3)n2)cc1OC ZINC000061717711 556723946 /nfs/dbraw/zinc/72/39/46/556723946.db2.gz SVQYSFVQWPSQQB-UHFFFAOYSA-N 0 0 449.492 3.085 50 0 IGAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)CC1 ZINC000053523292 556726722 /nfs/dbraw/zinc/72/67/22/556726722.db2.gz GRJCJEHFVJBBLX-FQEVSTJZSA-N 0 0 433.556 3.307 50 0 IGAARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O ZINC000011141369 556728321 /nfs/dbraw/zinc/72/83/21/556728321.db2.gz JJHXBKUJLQOTIT-AWEZNQCLSA-N 0 0 427.888 3.467 50 0 IGAARN CCOc1ccc(CC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC ZINC000072330945 556728352 /nfs/dbraw/zinc/72/83/52/556728352.db2.gz NYWWRWPPYFUXSX-UHFFFAOYSA-N 0 0 444.503 3.058 50 0 IGAARN Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3ccc(F)cc3)ncc1S(=O)(=O)N2C ZINC000033039680 556731555 /nfs/dbraw/zinc/73/15/55/556731555.db2.gz CEUVBVPEYIQMGE-UHFFFAOYSA-N 0 0 444.513 3.460 50 0 IGAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2nc(-c3ccccc3)no2)c1C ZINC000019311966 556735311 /nfs/dbraw/zinc/73/53/11/556735311.db2.gz JUPHEPZRBYVNHB-UHFFFAOYSA-N 0 0 428.514 3.175 50 0 IGAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000013793314 556736895 /nfs/dbraw/zinc/73/68/95/556736895.db2.gz ZXJNBGJOXLGNGV-MRXNPFEDSA-N 0 0 448.545 3.178 50 0 IGAARN Cc1cccc(SC2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccoc3)CC2)c1 ZINC000055211443 556738046 /nfs/dbraw/zinc/73/80/46/556738046.db2.gz WNCCGIXQXKOLDR-OAQYLSRUSA-N 0 0 427.570 3.062 50 0 IGAARN COc1ccc(Oc2cc3c(cc2NC(=O)c2cccs2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033043152 556739351 /nfs/dbraw/zinc/73/93/51/556739351.db2.gz UJYZTTXHJNWYQU-UHFFFAOYSA-N 0 0 437.477 3.352 50 0 IGAARN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000060365057 556747571 /nfs/dbraw/zinc/74/75/71/556747571.db2.gz IKKKGIXJSKRWGT-ZIAGYGMSSA-N 0 0 436.350 3.140 50 0 IGAARN COCCn1cnc2c1c(=O)n(Cc1cccc3ccccc31)c(=O)n2Cc1ccccc1 ZINC000011154979 556752083 /nfs/dbraw/zinc/75/20/83/556752083.db2.gz DENCRLOIQFFTNJ-UHFFFAOYSA-N 0 0 440.503 3.256 50 0 IGAARN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000057997501 556752168 /nfs/dbraw/zinc/75/21/68/556752168.db2.gz NRRXBPUTCDSIQG-UHFFFAOYSA-N 0 0 435.459 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IGAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N(C)c4ccc(F)cc4)c3)n2)cc1 ZINC000033293163 557076374 /nfs/dbraw/zinc/07/63/74/557076374.db2.gz YPFZQIMETFBFCR-UHFFFAOYSA-N 0 0 434.427 3.376 50 0 IGAARN CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(Cc3ccsc3)CC2)C(C)C)cc1 ZINC000023241116 557076592 /nfs/dbraw/zinc/07/65/92/557076592.db2.gz CQDBPQLDESCBFF-OAQYLSRUSA-N 0 0 429.586 3.246 50 0 IGAARN COc1ccc(OCc2noc(CN3Cc4ccccc4C[C@H]3C(=O)N3CCCC3)n2)cc1 ZINC000048375477 557076725 /nfs/dbraw/zinc/07/67/25/557076725.db2.gz JUAKVBSHALGLCD-QFIPXVFZSA-N 0 0 448.523 3.207 50 0 IGAARN CC(C)(C)NC(=O)CN1CCCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000023248730 557078361 /nfs/dbraw/zinc/07/83/61/557078361.db2.gz DFOQLRYZBNPLCI-HSZRJFAPSA-N 0 0 440.563 3.428 50 0 IGAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)cc1OC ZINC000033300114 557078622 /nfs/dbraw/zinc/07/86/22/557078622.db2.gz BUTHWUZXUHKJEW-UHFFFAOYSA-N 0 0 440.456 3.315 50 0 IGAARN CCOC(=O)c1cnc2c(OC)cccc2c1OCc1cc(=O)n2c(C)csc2n1 ZINC000097101664 557081033 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IGAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCCc4ccccc4)c3)n2)cc1 ZINC000049005948 557084565 /nfs/dbraw/zinc/08/45/65/557084565.db2.gz CGFQDLOWWDLUGZ-UHFFFAOYSA-N 0 0 444.491 3.323 50 0 IGAARN COc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1Cl ZINC000049007227 557085696 /nfs/dbraw/zinc/08/56/96/557085696.db2.gz TTWHOXYRCWUKON-UHFFFAOYSA-N 0 0 444.944 3.250 50 0 IGAARN O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1cccc(Br)c1 ZINC000049008243 557086319 /nfs/dbraw/zinc/08/63/19/557086319.db2.gz YCUXNGWBIAXIHW-UHFFFAOYSA-N 0 0 440.257 3.085 50 0 IGAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1Cl ZINC000049008342 557086322 /nfs/dbraw/zinc/08/63/22/557086322.db2.gz AIPDHHMOUMDOCH-UHFFFAOYSA-N 0 0 439.859 3.292 50 0 IGAARN CCC(C)(C)NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1 ZINC000033307726 557087119 /nfs/dbraw/zinc/08/71/19/557087119.db2.gz RLDDFAKTZWYIRW-UHFFFAOYSA-N 0 0 438.619 3.399 50 0 IGAARN O=C(Cn1nc2c(SCc3ccccc3)nccn2c1=O)NCc1ccc(Cl)cc1 ZINC000049009262 557087189 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557101255 /nfs/dbraw/zinc/10/12/55/557101255.db2.gz HUTIEURKCPUNCZ-UHFFFAOYSA-N 0 0 427.867 3.094 50 0 IGAARN CCOc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000049406521 557101819 /nfs/dbraw/zinc/10/18/19/557101819.db2.gz ZXAZOMDKJNIFPF-UHFFFAOYSA-N 0 0 433.512 3.009 50 0 IGAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)c1C ZINC000085620926 557102452 /nfs/dbraw/zinc/10/24/52/557102452.db2.gz FOMFTRCHZSJVAL-KRWDZBQOSA-N 0 0 429.492 3.116 50 0 IGAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc4c(c3)OCO4)cn12 ZINC000049408399 557103402 /nfs/dbraw/zinc/10/34/02/557103402.db2.gz RLYWYRVCCGRBHC-UHFFFAOYSA-N 0 0 436.493 3.470 50 0 IGAARN COc1cccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408557 557103431 /nfs/dbraw/zinc/10/34/31/557103431.db2.gz BDLYVAOVLVYPNH-UHFFFAOYSA-N 0 0 430.436 3.412 50 0 IGAARN O=C(c1ccc(Br)cc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC000585147161 557103809 /nfs/dbraw/zinc/10/38/09/557103809.db2.gz ROXPCBSNOLZXJV-ZDUSSCGKSA-N 0 0 427.096 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Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000102289220 557317690 /nfs/dbraw/zinc/31/76/90/557317690.db2.gz ISAVHHJJWOOBPH-BGYRXZFFSA-N 0 0 444.528 3.288 50 0 IGAARN Cc1cc(=O)n2nc(C(F)(F)F)nc2n1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000032957879 557319229 /nfs/dbraw/zinc/31/92/29/557319229.db2.gz SRFJMPPZSZKNKU-CYBMUJFWSA-N 0 0 429.402 3.249 50 0 IGAARN CCOc1ccccc1CNC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063436 557323391 /nfs/dbraw/zinc/32/33/91/557323391.db2.gz ARRADVZLWGVUGZ-QFIPXVFZSA-N 0 0 437.521 3.418 50 0 IGAARN CCOC(=O)C[C@@H](NC(=O)N1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 ZINC000033106522 557325960 /nfs/dbraw/zinc/32/59/60/557325960.db2.gz QSAGUSXABBBGBX-HXUWFJFHSA-N 0 0 435.528 3.099 50 0 IGAARN COC(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2OC)c(F)cc1F ZINC000024428352 557326089 /nfs/dbraw/zinc/32/60/89/557326089.db2.gz GCXZDBMLMGEWPF-UHFFFAOYSA-N 0 0 436.230 3.323 50 0 IGAARN COCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033277947 557329269 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CC[C@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(F)cc1 ZINC000040450993 557734885 /nfs/dbraw/zinc/73/48/85/557734885.db2.gz BPMRGJWKPAEWKN-ZDUSSCGKSA-N 0 0 431.537 3.116 50 0 IGAARN CC[C@H](C)N(CC(=O)OC)C(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O ZINC000225592028 557748928 /nfs/dbraw/zinc/74/89/28/557748928.db2.gz WPWNWDONZVVMLH-HNNXBMFYSA-N 0 0 431.558 3.103 50 0 IGAARN CC(C)(C)CC[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)C(N)=O ZINC000225604894 557750401 /nfs/dbraw/zinc/75/04/01/557750401.db2.gz OIPQOPJQLZLPQU-INIZCTEOSA-N 0 0 445.633 3.494 50 0 IGAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@]2(CO)CCOc3ccccc32)cs1 ZINC000225648324 557756647 /nfs/dbraw/zinc/75/66/47/557756647.db2.gz OSRGVVQBOWXNJG-DEOSSOPVSA-N 0 0 435.549 3.268 50 0 IGAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC ZINC000000854476 557831274 /nfs/dbraw/zinc/83/12/74/557831274.db2.gz SSKADSYJHOQOLQ-UHFFFAOYSA-N 0 0 432.542 3.266 50 0 IGAARN CCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000230513198 557835278 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O=C(Nc1nnc(C2CC2)s1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000003270277 562933525 /nfs/dbraw/zinc/93/35/25/562933525.db2.gz SGFORSQRCYIWSE-OAHLLOKOSA-N 0 0 446.579 3.231 50 0 aggregator IGAARN CC(C)CN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003426630 562935658 /nfs/dbraw/zinc/93/56/58/562935658.db2.gz QBDJJVYKISWKRH-OAQYLSRUSA-N 0 0 429.538 3.182 50 0 IGAARN Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000003438046 562935843 /nfs/dbraw/zinc/93/58/43/562935843.db2.gz HUUCIJHDVVPEPD-UHFFFAOYSA-N 0 0 430.526 3.355 50 0 IGAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CSc1nnnn1C ZINC000003513165 562936356 /nfs/dbraw/zinc/93/63/56/562936356.db2.gz OFHMVPOWLNZPFF-UHFFFAOYSA-N 0 0 431.543 3.463 50 0 IGAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1 ZINC000003627064 562936895 /nfs/dbraw/zinc/93/68/95/562936895.db2.gz DKIXTFCLUSBWSK-FQEVSTJZSA-N 0 0 434.514 3.017 50 0 IGAARN COCCNC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000003645236 562937322 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C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(Cl)cc3)N2C1=O ZINC000008609130 562957616 /nfs/dbraw/zinc/95/76/16/562957616.db2.gz CNJOHZRSUVGMDH-CYBMUJFWSA-N 0 0 426.929 3.411 50 0 IGAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1cc(F)ccc1F ZINC000008609397 562957859 /nfs/dbraw/zinc/95/78/59/562957859.db2.gz AXESIXOSEXPNQL-UHFFFAOYSA-N 0 0 445.426 3.173 50 0 IGAARN COC(=O)c1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000008609719 562957931 /nfs/dbraw/zinc/95/79/31/562957931.db2.gz YAWVPSIKRJZYRF-UHFFFAOYSA-N 0 0 427.457 3.033 50 0 IGAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1OC ZINC000008609638 562957942 /nfs/dbraw/zinc/95/79/42/562957942.db2.gz IUCNGFFXVHOMPS-HKBQPEDESA-N 0 0 446.500 3.371 50 0 IGAARN Cc1cccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4F)CC2)[nH]c3=O)c1 ZINC000008612534 562959249 /nfs/dbraw/zinc/95/92/49/562959249.db2.gz DMQAKQIAGSPYJY-UHFFFAOYSA-N 0 0 446.486 3.030 50 0 IGAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccccn3)c(=O)c21 ZINC000008614242 562959559 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CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 ZINC000299761020 568755698 /nfs/dbraw/zinc/75/56/98/568755698.db2.gz QHGGCDVLYLDKSR-CJAUYULYSA-N 0 0 442.531 3.373 50 0 IGAARN COc1ccccc1CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)c2ccccc2)CC3)CC1 ZINC000299768770 568756400 /nfs/dbraw/zinc/75/64/00/568756400.db2.gz KNYCYVHCFYJRHM-HSZRJFAPSA-N 0 0 447.579 3.282 50 0 IGAARN COCc1c(C(=O)NC[C@@H]2OCCc3ccccc32)cnn1-c1nccc(-c2ccco2)n1 ZINC000299783532 568757299 /nfs/dbraw/zinc/75/72/99/568757299.db2.gz ZWOKBLJCJFPNMI-QFIPXVFZSA-N 0 0 445.479 3.113 50 0 IGAARN O=C(COc1ccc(Cl)cc1)N1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299802836 568758135 /nfs/dbraw/zinc/75/81/35/568758135.db2.gz WZGLTCMJIHIJOC-HXUWFJFHSA-N 0 0 427.932 3.101 50 0 IGAARN Cc1c(C)[n+]([O-])c([C@H](c2ccsc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587569 568760624 /nfs/dbraw/zinc/76/06/24/568760624.db2.gz IJIUNIAUSUNSMI-GOSISDBHSA-N 0 0 440.521 3.432 50 0 IGAARN Cc1ccc(-c2nn3ccn(CC(=O)N[C@@H](C)CCc4ccccc4)c(=O)c3c2CO)cc1 ZINC000263615534 568775957 /nfs/dbraw/zinc/77/59/57/568775957.db2.gz CWGALVNPVNMYNW-IBGZPJMESA-N 0 0 444.535 3.101 50 0 IGAARN O=C(NCc1cccc(Br)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617707 568777248 /nfs/dbraw/zinc/77/72/48/568777248.db2.gz PGGWTOKPNQSQBH-KRWDZBQOSA-N 0 0 431.265 3.381 50 0 IGAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 ZINC000263617997 568777473 /nfs/dbraw/zinc/77/74/73/568777473.db2.gz QUXNLCMWHPPABM-QGZVFWFLSA-N 0 0 433.512 3.250 50 0 IGAARN O=C(c1ncn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000263618950 568777817 /nfs/dbraw/zinc/77/78/17/568777817.db2.gz WGIFKXYVIGNSJH-NRFANRHFSA-N 0 0 440.519 3.158 50 0 IGAARN Cc1ccc(S(=O)(=O)Nc2ccn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)n2)cc1 ZINC000001388159 568784681 /nfs/dbraw/zinc/78/46/81/568784681.db2.gz WTDJAVCOMOEMMG-UHFFFAOYSA-N 0 0 444.822 3.409 50 0 IGAARN COc1c(Br)cc(F)cc1NC(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000083915188 568785289 /nfs/dbraw/zinc/78/52/89/568785289.db2.gz DOBGXDRVXSSQED-OAHLLOKOSA-N 0 0 439.281 3.165 50 0 IGAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)c1ccccn1)CC2 ZINC000083925356 568785856 /nfs/dbraw/zinc/78/58/56/568785856.db2.gz RAZRHULZXUZDFP-JOCHJYFZSA-N 0 0 437.521 3.064 50 0 IGAARN Cc1c2nnc(C(F)(F)F)n2nc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1C ZINC000084019768 568789876 /nfs/dbraw/zinc/78/98/76/568789876.db2.gz ZTARDXJQMVYMOK-AWEZNQCLSA-N 0 0 437.401 3.299 50 0 IGAARN Cc1sc2nc(CCC(=O)Nc3cccc(N4CCCNC4=O)c3)[nH]c(=O)c2c1C ZINC000084065460 568790817 /nfs/dbraw/zinc/79/08/17/568790817.db2.gz SLSCMJKSNJRJMM-UHFFFAOYSA-N 0 0 425.514 3.092 50 0 IGAARN CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000016648931 568791098 /nfs/dbraw/zinc/79/10/98/568791098.db2.gz SPMOSTVEPGGRNI-MRXNPFEDSA-N 0 0 430.526 3.031 50 0 IGAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000001421213 568793212 /nfs/dbraw/zinc/79/32/12/568793212.db2.gz QSSSMTBKZSUYNE-LJQANCHMSA-N 0 0 427.526 3.050 50 0 IGAARN O=C(Nc1nccs1)c1cc(S(=O)(=O)NC[C@H]2CCCO2)c(Cl)cc1Cl ZINC000001425898 568793814 /nfs/dbraw/zinc/79/38/14/568793814.db2.gz JCEUMVLSKBMGTR-SECBINFHSA-N 0 0 436.342 3.160 50 0 IGAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)cc1 ZINC000084160288 568795453 /nfs/dbraw/zinc/79/54/53/568795453.db2.gz AFMUOHXPZMWMEO-LJQANCHMSA-N 0 0 428.554 3.175 50 0 IGAARN Cc1cccc(I)c1C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000084213326 568796230 /nfs/dbraw/zinc/79/62/30/568796230.db2.gz BAHCYTWDKIBRGX-UHFFFAOYSA-N 0 0 430.286 3.339 50 0 IGAARN Cc1cccc(C)c1OC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccccc1 ZINC000084225542 568796240 /nfs/dbraw/zinc/79/62/40/568796240.db2.gz WJZVGECWCHFGNE-NLFFAJNJSA-N 0 0 435.524 3.260 50 0 IGAARN CN1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000084240586 568796588 /nfs/dbraw/zinc/79/65/88/568796588.db2.gz XSJQNQRTQVHWRW-CYBMUJFWSA-N 0 0 432.443 3.100 50 0 IGAARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000084370709 568797568 /nfs/dbraw/zinc/79/75/68/568797568.db2.gz ULJAYSSZDICSKC-NOZRDPDXSA-N 0 0 449.595 3.288 50 0 IGAARN O=C(NC1(c2cccc(Br)c2)CCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000084610006 568799222 /nfs/dbraw/zinc/79/92/22/568799222.db2.gz LCXJNBMMVPZWNI-HNNXBMFYSA-N 0 0 428.330 3.388 50 0 IGAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCCCCS(C)(=O)=O ZINC000084640451 568799363 /nfs/dbraw/zinc/79/93/63/568799363.db2.gz BIXZSEVLAXZSQW-CQSZACIVSA-N 0 0 431.555 3.121 50 0 IGAARN C[C@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000084647566 568799537 /nfs/dbraw/zinc/79/95/37/568799537.db2.gz GUIYNHMUXIEZDP-STQMWFEESA-N 0 0 425.323 3.492 50 0 IGAARN CCc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O ZINC000015725721 568812300 /nfs/dbraw/zinc/81/23/00/568812300.db2.gz KYPHCLDSYFNLJJ-UHFFFAOYSA-N 0 0 439.940 3.351 50 0 IGAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000015729979 568813698 /nfs/dbraw/zinc/81/36/98/568813698.db2.gz LPGJDGNAQXBBIT-UHFFFAOYSA-N 0 0 432.908 3.447 50 0 IGAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)C[C@@H]2C)c1 ZINC000015731018 568814436 /nfs/dbraw/zinc/81/44/36/568814436.db2.gz GTQUPYFEQFSHJB-INIZCTEOSA-N 0 0 431.583 3.329 50 0 IGAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000015732559 568815296 /nfs/dbraw/zinc/81/52/96/568815296.db2.gz NFJLQCQBBIGOOL-ZDUSSCGKSA-N 0 0 435.484 3.294 50 0 IGAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000015732555 568815324 /nfs/dbraw/zinc/81/53/24/568815324.db2.gz OLICDYIPSGHUJG-UHFFFAOYSA-N 0 0 441.900 3.477 50 0 IGAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000015734463 568816318 /nfs/dbraw/zinc/81/63/18/568816318.db2.gz QMEWQIBJVOYMDZ-UHFFFAOYSA-N 0 0 438.507 3.135 50 0 IGAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3)c2n1 ZINC000015768067 568821980 /nfs/dbraw/zinc/82/19/80/568821980.db2.gz VWIFJCXFZSLBDY-UHFFFAOYSA-N 0 0 433.489 3.176 50 0 IGAARN Cc1ccc(OCC(=O)Nc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000015772044 568822625 /nfs/dbraw/zinc/82/26/25/568822625.db2.gz VDUDINITOJIBAS-UHFFFAOYSA-N 0 0 449.488 3.439 50 0 IGAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)cc(=O)n2o1 ZINC000015772339 568822887 /nfs/dbraw/zinc/82/28/87/568822887.db2.gz IUNGQZJBVSYSQW-MRXNPFEDSA-N 0 0 447.447 3.359 50 0 IGAARN COc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)c2)c1 ZINC000015772284 568822918 /nfs/dbraw/zinc/82/29/18/568822918.db2.gz UDYSNZKKWXEKSS-UHFFFAOYSA-N 0 0 433.420 3.214 50 0 IGAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)Nc1ccc2c(c1)OCCO2 ZINC000015776460 568823815 /nfs/dbraw/zinc/82/38/15/568823815.db2.gz RNEIYDPBLOSQAD-UHFFFAOYSA-N 0 0 448.458 3.218 50 0 IGAARN Cc1[nH]c(C(=O)N2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598209 568827266 /nfs/dbraw/zinc/82/72/66/568827266.db2.gz BCELWQJJOMONQD-UHFFFAOYSA-N 0 0 444.601 3.159 50 0 IGAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(Cl)c1 ZINC000085644768 568829579 /nfs/dbraw/zinc/82/95/79/568829579.db2.gz SQYAWTJTKHETEA-UHFFFAOYSA-N 0 0 447.948 3.288 50 0 IGAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)c1 ZINC000012821425 568831444 /nfs/dbraw/zinc/83/14/44/568831444.db2.gz CGPMXVOLUQOBIS-HNNXBMFYSA-N 0 0 427.530 3.073 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)c1C ZINC000085712539 568835611 /nfs/dbraw/zinc/83/56/11/568835611.db2.gz XPRYRPKNAXFSEA-UHFFFAOYSA-N 0 0 435.502 3.397 50 0 IGAARN O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787343 568836793 /nfs/dbraw/zinc/83/67/93/568836793.db2.gz PEQDBVRSTKPGPE-LJQANCHMSA-N 0 0 448.489 3.130 50 0 IGAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](CCSC)Nc1nc(C)cc(C)n1)CC2 ZINC000085875617 568838145 /nfs/dbraw/zinc/83/81/45/568838145.db2.gz GJLFIHKULVCHAE-SFHVURJKSA-N 0 0 430.574 3.229 50 0 IGAARN CC1=C(C(=O)OCCC(C)C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000001515941 568839636 /nfs/dbraw/zinc/83/96/36/568839636.db2.gz MGPASCYMIRMTKK-INIZCTEOSA-N 0 0 425.279 3.395 50 0 IGAARN COc1ccc(OC)c(NC(=O)COc2cc(CSc3ncccn3)ncc2OC)c1 ZINC000015824335 568840376 /nfs/dbraw/zinc/84/03/76/568840376.db2.gz VYIILNHSAJAYEM-UHFFFAOYSA-N 0 0 442.497 3.207 50 0 IGAARN COCCCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cc(Cl)ccc2C)c1=O ZINC000015863296 568849292 /nfs/dbraw/zinc/84/92/92/568849292.db2.gz VXFUXMNIOJCZFH-UHFFFAOYSA-N 0 0 430.936 3.309 50 0 IGAARN CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2C1 ZINC000015880171 568853961 /nfs/dbraw/zinc/85/39/61/568853961.db2.gz HUQAIMRRLGGPBQ-HNNXBMFYSA-N 0 0 448.614 3.337 50 0 IGAARN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882607 568857002 /nfs/dbraw/zinc/85/70/02/568857002.db2.gz XGBDIIATUYOOJK-XMMPIXPASA-N 0 0 428.536 3.498 50 0 IGAARN O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)Nc1ccc2c(c1)OCO2 ZINC000015882696 568857244 /nfs/dbraw/zinc/85/72/44/568857244.db2.gz KPLHTKLUXSILTG-UHFFFAOYSA-N 0 0 435.531 3.452 50 0 IGAARN Cc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000015883468 568857782 /nfs/dbraw/zinc/85/77/82/568857782.db2.gz YVPIBUQKUIOBQH-UHFFFAOYSA-N 0 0 426.542 3.103 50 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CCOc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC ZINC000013164833 568893022 /nfs/dbraw/zinc/89/30/22/568893022.db2.gz AAIMDUKCGRQXSI-QPJJXVBHSA-N 0 0 445.859 3.112 50 0 IGAARN CC(C)Cn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccsc2c1=O ZINC000035531742 568893073 /nfs/dbraw/zinc/89/30/73/568893073.db2.gz RCMNTOYWUZRNJO-UHFFFAOYSA-N 0 0 427.555 3.170 50 0 IGAARN COc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000012982955 568894785 /nfs/dbraw/zinc/89/47/85/568894785.db2.gz CXMPCXIYORQZPQ-LBPRGKRZSA-N 0 0 446.356 3.341 50 0 IGAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccc(C)cc2)cc1 ZINC000013005747 568899331 /nfs/dbraw/zinc/89/93/31/568899331.db2.gz KNHBSEVXTFVPPF-UHFFFAOYSA-N 0 0 436.599 3.112 50 0 IGAARN O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013008762 568899756 /nfs/dbraw/zinc/89/97/56/568899756.db2.gz HFWCZBUJCJUDCO-FQEVSTJZSA-N 0 0 433.439 3.489 50 0 IGAARN CCCCNC(=O)CN1CCN(C(=O)c2ccc(SCc3cscn3)cc2)CC1 ZINC000013011331 568901160 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COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(NC(C)=O)cc4)nn32)cc1 ZINC000009415197 569532176 /nfs/dbraw/zinc/53/21/76/569532176.db2.gz SXTXGBBSVLNTIF-UHFFFAOYSA-N 0 0 448.508 3.489 50 0 IGAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009418989 569532498 /nfs/dbraw/zinc/53/24/98/569532498.db2.gz ZHVFIPIBBVYIJV-KRWDZBQOSA-N 0 0 429.517 3.067 50 0 IGAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009419889 569532625 /nfs/dbraw/zinc/53/26/25/569532625.db2.gz CQLMZILCGLOBCX-DLBZAZTESA-N 0 0 443.544 3.455 50 0 IGAARN CCc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C ZINC000009426764 569533289 /nfs/dbraw/zinc/53/32/89/569533289.db2.gz HQAVCBMISGKXEJ-GFCCVEGCSA-N 0 0 430.559 3.135 50 0 IGAARN COc1ccc(CCc2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000009426518 569533338 /nfs/dbraw/zinc/53/33/38/569533338.db2.gz LVHLGGSNNQVFKC-UHFFFAOYSA-N 0 0 431.539 3.053 50 0 IGAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 ZINC000009427293 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CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)n1 ZINC000009484935 569539533 /nfs/dbraw/zinc/53/95/33/569539533.db2.gz QPZLWFCFEGDASG-UHFFFAOYSA-N 0 0 431.543 3.258 50 0 IGAARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2=O)cc1 ZINC000009486515 569539639 /nfs/dbraw/zinc/53/96/39/569539639.db2.gz NQZVLFCCTXHQNR-FQEVSTJZSA-N 0 0 438.459 3.197 50 0 IGAARN CCOC(=O)N1CCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)CC1 ZINC000009490683 569540242 /nfs/dbraw/zinc/54/02/42/569540242.db2.gz PTFLUUJADMLTLV-UHFFFAOYSA-N 0 0 447.417 3.329 50 0 IGAARN CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)COC)c2)cc1Br ZINC000009491862 569540452 /nfs/dbraw/zinc/54/04/52/569540452.db2.gz ULEYGVIFQKWJOX-UHFFFAOYSA-N 0 0 443.319 3.234 50 0 IGAARN O=C(Cn1nnc2ccccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009493634 569540833 /nfs/dbraw/zinc/54/08/33/569540833.db2.gz JFQLOBZZZBMXRS-LJQANCHMSA-N 0 0 433.855 3.416 50 0 IGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000009494144 569540882 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Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1C ZINC000009747177 569565818 /nfs/dbraw/zinc/56/58/18/569565818.db2.gz HASJFLAZOYLMSI-GOSISDBHSA-N 0 0 449.598 3.053 50 0 IGAARN NC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CCCC2 ZINC000009766338 569566853 /nfs/dbraw/zinc/56/68/53/569566853.db2.gz LMRZBBGMOLPANI-UHFFFAOYSA-N 0 0 447.582 3.153 50 0 IGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)ccc1C ZINC000009778135 569567248 /nfs/dbraw/zinc/56/72/48/569567248.db2.gz GOSIRCGDTGXGOJ-QGZVFWFLSA-N 0 0 438.590 3.267 50 0 IGAARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2cccc(OC)c2)cc1 ZINC000009778912 569567342 /nfs/dbraw/zinc/56/73/42/569567342.db2.gz PGCOCPMHOGCEBA-YADHBBJMSA-N 0 0 428.444 3.457 50 0 IGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)C(O)(c2ccccc2)c2ccccc2)n1 ZINC000009781549 569567609 /nfs/dbraw/zinc/56/76/09/569567609.db2.gz ILMKRLQCBQNGRF-UHFFFAOYSA-N 0 0 441.491 3.485 50 0 IGAARN O=C(CN1CCCSc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009781833 569567613 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525207241 /nfs/dbraw/zinc/20/72/41/525207241.db2.gz PANKPBFFAKWXEP-NBGIEHNGSA-N 0 0 435.499 3.490 50 0 IGAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)N[C@H]2COc3ccccc3C2)C1 ZINC000021709156 525210486 /nfs/dbraw/zinc/21/04/86/525210486.db2.gz FCGAQFODMWDPLH-YKSBVNFPSA-N 0 0 425.504 3.257 50 0 IGAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2C[C@H]2CCCO2)c(Br)c1 ZINC000016412317 525216307 /nfs/dbraw/zinc/21/63/07/525216307.db2.gz NFDGUHUDIMUXOW-NWDGAFQWSA-N 0 0 426.340 3.042 50 0 IGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 ZINC000012294071 525216907 /nfs/dbraw/zinc/21/69/07/525216907.db2.gz JDLNLTCTMGSZII-VOSMRYOYSA-N 0 0 448.544 3.195 50 0 IGAARN Cc1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)ccc1Br ZINC000012884003 525237636 /nfs/dbraw/zinc/23/76/36/525237636.db2.gz DRCLGBODYIEFLZ-FQEVSTJZSA-N 0 0 428.286 3.305 50 0 IGAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035963128 525239212 /nfs/dbraw/zinc/23/92/12/525239212.db2.gz 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Cc1c(C)c2ccc(OC[C@@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)cc2oc1=O ZINC000020731240 525676228 /nfs/dbraw/zinc/67/62/28/525676228.db2.gz OEMOZOJPMJNSSK-CJHOVAGGSA-N 0 0 448.563 3.481 50 0 IGAARN Cc1cc2oc(=O)c(CC(=O)N3CCN(CCO)CC3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000020591936 525690071 /nfs/dbraw/zinc/69/00/71/525690071.db2.gz FAWKFJSMWHVXEX-UHFFFAOYSA-N 0 0 440.540 3.133 50 0 IGAARN Cc1cc2sc(N3CCN(C(=O)CCS(=O)(=O)c4ccccc4)CC3)nc2c(C)c1 ZINC000015882426 525701315 /nfs/dbraw/zinc/70/13/15/525701315.db2.gz FCWIBKHNYJKCLR-UHFFFAOYSA-N 0 0 443.594 3.426 50 0 IGAARN COc1cccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)n2)c1 ZINC000041252556 525711936 /nfs/dbraw/zinc/71/19/36/525711936.db2.gz WZXPSTSUYYOQCP-UHFFFAOYSA-N 0 0 446.551 3.275 50 0 IGAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000015669264 525742697 /nfs/dbraw/zinc/74/26/97/525742697.db2.gz MCCUQINSXXOANX-UHFFFAOYSA-N 0 0 438.278 3.448 50 0 IGAARN COc1cccc(-n2c3ncn(Cc4ccccc4Cl)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000034693866 525751934 /nfs/dbraw/zinc/75/19/34/525751934.db2.gz QUEBERPXIKZRFD-UHFFFAOYSA-N 0 0 436.899 3.469 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(c2ccccc2Cl)CC1 ZINC000012517243 525767136 /nfs/dbraw/zinc/76/71/36/525767136.db2.gz RRGFAQTZELYVLM-UHFFFAOYSA-N 0 0 435.355 3.179 50 0 IGAARN Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000012999515 525801157 /nfs/dbraw/zinc/80/11/57/525801157.db2.gz UQMAKUSDCBUECH-UHFFFAOYSA-N 0 0 445.541 3.404 50 0 IGAARN COc1cccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)[C@@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036061974 525808197 /nfs/dbraw/zinc/80/81/97/525808197.db2.gz AUXCUMIUKKRDHN-FGZHOGPDSA-N 0 0 438.524 3.094 50 0 IGAARN COc1cccc(C(=O)N2C[C@@H](c3cc(OC)ccc3OC)[C@H](C(=O)N3CCCC3)C2)c1 ZINC000036059346 525808881 /nfs/dbraw/zinc/80/88/81/525808881.db2.gz LFWCMARKVKBSOX-FCHUYYIVSA-N 0 0 438.524 3.191 50 0 IGAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCC(C)C)[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000036054215 525810824 /nfs/dbraw/zinc/81/08/24/525810824.db2.gz DXYIIOXFGQLCPG-RTWAWAEBSA-N 0 0 440.540 3.340 50 0 IGAARN C[C@@]1(C2CCN(C(=O)Cc3ccsc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012163096 525822604 /nfs/dbraw/zinc/82/26/04/525822604.db2.gz FQRRPNZIGNVAST-QFIPXVFZSA-N 0 0 429.517 3.179 50 0 IGAARN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c1 ZINC000020909915 525824377 /nfs/dbraw/zinc/82/43/77/525824377.db2.gz ITUJESOMQBOYPY-HNNXBMFYSA-N 0 0 441.482 3.114 50 0 IGAARN COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)c1 ZINC000012522877 525832203 /nfs/dbraw/zinc/83/22/03/525832203.db2.gz QFPVHKCIBPIIQD-UHFFFAOYSA-N 0 0 447.557 3.036 50 0 IGAARN COc1cccc(C(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)c1 ZINC000020583438 525837905 /nfs/dbraw/zinc/83/79/05/525837905.db2.gz BGPQKWZIGYJAQX-UHFFFAOYSA-N 0 0 429.483 3.001 50 0 IGAARN C[C@@]1(CSc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)NC(=O)NC1=O ZINC000012792058 525856161 /nfs/dbraw/zinc/85/61/61/525856161.db2.gz MJKRWFXIFZHVRV-DEOSSOPVSA-N 0 0 437.565 3.472 50 0 IGAARN COc1cccc(C2=NN(C(C)=O)[C@H](c3cncc(Br)c3)O2)c1OC(C)=O ZINC000021092256 525858651 /nfs/dbraw/zinc/85/86/51/525858651.db2.gz ZBRXVDCOOZPKSN-SFHVURJKSA-N 0 0 434.246 3.017 50 0 IGAARN Cc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000022914133 525880438 /nfs/dbraw/zinc/88/04/38/525880438.db2.gz BCEFKOJRLXHVNA-UHFFFAOYSA-N 0 0 425.920 3.455 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCC(C)CC1 ZINC000012765645 525892877 /nfs/dbraw/zinc/89/28/77/525892877.db2.gz HUFXFURUHGDPBE-SFHVURJKSA-N 0 0 436.574 3.055 50 0 IGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000012815941 525892893 /nfs/dbraw/zinc/89/28/93/525892893.db2.gz PRHFNADUBCKSMT-KRWDZBQOSA-N 0 0 444.553 3.159 50 0 IGAARN Cc1ccc(-n2c(SCC(=O)N3CCOc4ccc(C)cc43)nc3c2nc[nH]c3=O)cc1 ZINC000012462110 525898212 /nfs/dbraw/zinc/89/82/12/525898212.db2.gz FHRYOKXCAQIRCV-UHFFFAOYSA-N 0 0 447.520 3.243 50 0 biogenic,in-vitro IGAARN Cc1ccc(-n2ccn3c(CCC(=O)NCc4ccccc4Cl)nnc3c2=O)cc1C ZINC000021540451 525914694 /nfs/dbraw/zinc/91/46/94/525914694.db2.gz WQWKRKOHHKQABO-UHFFFAOYSA-N 0 0 435.915 3.399 50 0 IGAARN Cc1ccc(-n2ccn3c(CCC(=O)NCCCc4ccccc4)nnc3c2=O)cc1C ZINC000021540483 525914876 /nfs/dbraw/zinc/91/48/76/525914876.db2.gz BPVISOBHJGMLMN-UHFFFAOYSA-N 0 0 429.524 3.179 50 0 IGAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC[C@H]2CCCO2)c1 ZINC000021859683 525929060 /nfs/dbraw/zinc/92/90/60/525929060.db2.gz QTBOMPDYKDHYPH-QFQXNSOFSA-N 0 0 447.535 3.360 50 0 IGAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)NCCc2ccccc2)nc3C2CC2)c(C)c1 ZINC000022768163 525932099 /nfs/dbraw/zinc/93/20/99/525932099.db2.gz DHELLFDRSBLEFN-UHFFFAOYSA-N 0 0 441.535 3.435 50 0 IGAARN C[C@H](C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000012567408 525949162 /nfs/dbraw/zinc/94/91/62/525949162.db2.gz XEKKZSISLAAQNL-JOCHJYFZSA-N 0 0 429.568 3.259 50 0 IGAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCNC(=O)C1)occ3-c1ccccc1 ZINC000012902144 525964044 /nfs/dbraw/zinc/96/40/44/525964044.db2.gz NYSJRVZQLVQSDG-UHFFFAOYSA-N 0 0 430.460 3.406 50 0 IGAARN Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1 ZINC000012592966 525975739 /nfs/dbraw/zinc/97/57/39/525975739.db2.gz HYGGWIVVYSRJCF-UHFFFAOYSA-N 0 0 443.573 3.202 50 0 IGAARN Cc1c2ccccc2sc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012907283 525991661 /nfs/dbraw/zinc/99/16/61/525991661.db2.gz PVDKCMYDJCTHLQ-UHFFFAOYSA-N 0 0 436.580 3.222 50 0 IGAARN COc1cccc(CNC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000020563246 525994476 /nfs/dbraw/zinc/99/44/76/525994476.db2.gz JIISSHBTKNTSLX-QGZVFWFLSA-N 0 0 431.496 3.085 50 0 IGAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012788981 526002495 /nfs/dbraw/zinc/00/24/95/526002495.db2.gz WGMFNFOEGNCSFI-KSKOPSKJSA-N 0 0 441.597 3.345 50 0 IGAARN C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000021691374 526013115 /nfs/dbraw/zinc/01/31/15/526013115.db2.gz MRWVSMQFDOUIKP-CYBMUJFWSA-N 0 0 427.530 3.298 50 0 IGAARN C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000012594853 526012980 /nfs/dbraw/zinc/01/29/80/526012980.db2.gz HHMYSKWQDTUGLV-PKOBYXMFSA-N 0 0 429.590 3.029 50 0 IGAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCC4)n3c2=O)nn1-c1ccccc1 ZINC000035911552 526037438 /nfs/dbraw/zinc/03/74/38/526037438.db2.gz NYASKTAXSAWXPA-UHFFFAOYSA-N 0 0 433.537 3.390 50 0 IGAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)Nc2ccccc2Br)CC1=O ZINC000012771375 526101683 /nfs/dbraw/zinc/10/16/83/526101683.db2.gz RSNCLUWOSUAALG-GDBMZVCRSA-N 0 0 444.329 3.114 50 0 IGAARN Cc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1NS(C)(=O)=O ZINC000012771244 526156972 /nfs/dbraw/zinc/15/69/72/526156972.db2.gz OOWZPPUITIZHPA-UHFFFAOYSA-N 0 0 444.553 3.380 50 0 IGAARN COc1cccc(N2C[C@@H](NC(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C)CC2=O)c1 ZINC000012180171 526161456 /nfs/dbraw/zinc/16/14/56/526161456.db2.gz RYBPVSGJOMCSTO-WBVHZDCISA-N 0 0 439.512 3.147 50 0 IGAARN COc1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000035402451 526172760 /nfs/dbraw/zinc/17/27/60/526172760.db2.gz CUGNTFLSGUXNQR-UHFFFAOYSA-N 0 0 425.510 3.009 50 0 IGAARN COc1cccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 ZINC000012233141 526181564 /nfs/dbraw/zinc/18/15/64/526181564.db2.gz WCRVGSVWKKLKGW-MRXNPFEDSA-N 0 0 433.493 3.266 50 0 IGAARN COc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)c1 ZINC000035429598 526195633 /nfs/dbraw/zinc/19/56/33/526195633.db2.gz DCONNSUMUCANRJ-UHFFFAOYSA-N 0 0 444.498 3.392 50 0 IGAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325635 526201399 /nfs/dbraw/zinc/20/13/99/526201399.db2.gz JPBFMHJVZDNCHK-GOSISDBHSA-N 0 0 425.510 3.479 50 0 IGAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]21 ZINC000035900303 526210343 /nfs/dbraw/zinc/21/03/43/526210343.db2.gz QURIKTCPTRGTIR-ITZJAJSESA-N 0 0 444.487 3.347 50 0 IGAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)NCCc1ccccc1 ZINC000035535067 526215889 /nfs/dbraw/zinc/21/58/89/526215889.db2.gz LRZGONRGBDJGJY-UHFFFAOYSA-N 0 0 425.488 3.295 50 0 IGAARN CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccc4Cl)CC3)c(C)n2n1 ZINC000012555061 526219042 /nfs/dbraw/zinc/21/90/42/526219042.db2.gz QCCKRMZYXOSHGF-UHFFFAOYSA-N 0 0 444.992 3.398 50 0 IGAARN CSc1ncc(C(=O)NCc2ccc(CN3CCOCC3)cc2)n1-c1ccc(F)cc1 ZINC000022694518 526220147 /nfs/dbraw/zinc/22/01/47/526220147.db2.gz RPCXYANYPJNYNI-UHFFFAOYSA-N 0 0 440.544 3.496 50 0 IGAARN Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCN(c2ccc(F)cc2)CC1 ZINC000012462651 526221539 /nfs/dbraw/zinc/22/15/39/526221539.db2.gz GFQUSAMEMFFGJZ-UHFFFAOYSA-N 0 0 432.293 3.206 50 0 IGAARN CSc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1S(=O)(=O)c1ccccc1 ZINC000020597831 526223611 /nfs/dbraw/zinc/22/36/11/526223611.db2.gz IGTUYVGUDVAHFZ-UHFFFAOYSA-N 0 0 430.555 3.276 50 0 IGAARN C[C@H]1CCCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000012602696 526261785 /nfs/dbraw/zinc/26/17/85/526261785.db2.gz LABSKWYJNJXXMS-PKOBYXMFSA-N 0 0 446.617 3.375 50 0 IGAARN C[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)CC2)C1 ZINC000012098211 526264130 /nfs/dbraw/zinc/26/41/30/526264130.db2.gz QIBUPZFVRPONGA-SFHVURJKSA-N 0 0 446.551 3.353 50 0 IGAARN Cc1nn(CC(=O)N[C@@H](C)c2cccs2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000012920845 526267903 /nfs/dbraw/zinc/26/79/03/526267903.db2.gz NVVHNJDWMWCFHC-AWEZNQCLSA-N 0 0 444.582 3.190 50 0 IGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000012812231 526303660 /nfs/dbraw/zinc/30/36/60/526303660.db2.gz QRUAPNXFXDCNKD-LSDHHAIUSA-N 0 0 435.575 3.164 50 0 IGAARN O=C(CCC(=O)N1C[C@H]2CCCN2c2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000020987840 526383308 /nfs/dbraw/zinc/38/33/08/526383308.db2.gz KPOLCFZMBSCRNC-JOCHJYFZSA-N 0 0 432.568 3.127 50 0 IGAARN Cc1csc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)n1 ZINC000012233439 526386468 /nfs/dbraw/zinc/38/64/68/526386468.db2.gz GZSOMQGYNAGFIV-ZDUSSCGKSA-N 0 0 442.501 3.162 50 0 IGAARN Cc1csc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 ZINC000012919453 526398010 /nfs/dbraw/zinc/39/80/10/526398010.db2.gz AMOMRTGUFOQBJW-UHFFFAOYSA-N 0 0 437.612 3.308 50 0 IGAARN O=C(OCc1ccccc1)C1=C[C@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)NN1 ZINC000012376508 526427438 /nfs/dbraw/zinc/42/74/38/526427438.db2.gz MNPCXSUCPCZFPQ-HXUWFJFHSA-N 0 0 432.263 3.088 50 0 IGAARN O=C(OCc1noc(-c2ccsc2)n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000022894038 526433503 /nfs/dbraw/zinc/43/35/03/526433503.db2.gz AIKRUWYVZKWUMC-UHFFFAOYSA-N 0 0 445.478 3.227 50 0 IGAARN O=C(CCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)NCc1cccnc1 ZINC000012324292 526436222 /nfs/dbraw/zinc/43/62/22/526436222.db2.gz QQTLESUPRMRNDK-UHFFFAOYSA-N 0 0 425.920 3.381 50 0 IGAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NCCSc1ccc(Cl)cc1 ZINC000012927064 526443336 /nfs/dbraw/zinc/44/33/36/526443336.db2.gz LDTXWYPZKAFBTK-UHFFFAOYSA-N 0 0 437.974 3.067 50 0 IGAARN Cc1csc2nc(CSc3nnc(NC(=O)COc4ccccc4)s3)cc(=O)n12 ZINC000020984290 526456580 /nfs/dbraw/zinc/45/65/80/526456580.db2.gz MPTWEYJOLDOETF-UHFFFAOYSA-N 0 0 445.551 3.226 50 0 IGAARN O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N1CCN(Cc2ccccc2)CC1 ZINC000012847770 526527199 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O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000036758199 526656471 /nfs/dbraw/zinc/65/64/71/526656471.db2.gz VPOIZYHFKPSJPI-UHFFFAOYSA-N 0 0 431.920 3.025 50 0 IGAARN O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ccccn2)CC1 ZINC000020934672 526668499 /nfs/dbraw/zinc/66/84/99/526668499.db2.gz YJPYCFSSRUKDHR-UHFFFAOYSA-N 0 0 445.548 3.078 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671801 526701855 /nfs/dbraw/zinc/70/18/55/526701855.db2.gz YMHJSWMMTFTFCB-UHFFFAOYSA-N 0 0 425.514 3.368 50 0 IGAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1Oc1ccccc1 ZINC000021962428 526705809 /nfs/dbraw/zinc/70/58/09/526705809.db2.gz YSDHTEKXWWUPSK-UHFFFAOYSA-N 0 0 429.432 3.408 50 0 IGAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NCCc1cccs1 ZINC000013128401 526713890 /nfs/dbraw/zinc/71/38/90/526713890.db2.gz PZCAFBRLGZLLNL-XMMPIXPASA-N 0 0 433.533 3.097 50 0 IGAARN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012568748 526728494 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COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000009846607 556313562 /nfs/dbraw/zinc/31/35/62/556313562.db2.gz GWPZKFSLGAERME-UHFFFAOYSA-N 0 0 430.526 3.435 50 0 IGAARN CCc1ccc(-c2nc(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000032752836 556313794 /nfs/dbraw/zinc/31/37/94/556313794.db2.gz DCRCFFYSQQRKMT-INIZCTEOSA-N 0 0 430.555 3.489 50 0 IGAARN COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013816030 556314200 /nfs/dbraw/zinc/31/42/00/556314200.db2.gz PYQYUCCRGRTZIW-UHFFFAOYSA-N 0 0 440.496 3.151 50 0 IGAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1Cl ZINC000009891936 556315203 /nfs/dbraw/zinc/31/52/03/556315203.db2.gz OSMLDTPHHPBHGK-UHFFFAOYSA-N 0 0 437.949 3.191 50 0 IGAARN CCCn1nnnc1COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000032745448 556315438 /nfs/dbraw/zinc/31/54/38/556315438.db2.gz FAFLCKUFYRBZHJ-OFNKIYASSA-N 0 0 449.511 3.319 50 0 IGAARN CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1Cl ZINC000032747993 556316657 /nfs/dbraw/zinc/31/66/57/556316657.db2.gz KMWCYYLRJJLNOL-HXUWFJFHSA-N 0 0 435.977 3.085 50 0 IGAARN Cc1ccc(-c2noc(CCCN3CCN(C(=O)CCOCC(F)(F)F)CC3)n2)cc1 ZINC000059850484 556317505 /nfs/dbraw/zinc/31/75/05/556317505.db2.gz ONLKNLBNLGBEHO-UHFFFAOYSA-N 0 0 440.466 3.091 50 0 IGAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000032755254 556324440 /nfs/dbraw/zinc/32/44/40/556324440.db2.gz FNJNBVWJPCHFRU-INIZCTEOSA-N 0 0 449.598 3.270 50 0 IGAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 ZINC000010078423 556325313 /nfs/dbraw/zinc/32/53/13/556325313.db2.gz UVHMNXQAXTXGDM-WIYYLYMNSA-N 0 0 436.599 3.369 50 0 IGAARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(N2C(=O)c4ccccc4C2=O)C3=O)cc1C ZINC000013881489 556326335 /nfs/dbraw/zinc/32/63/35/556326335.db2.gz VGDMFPWSUMFUBG-UHFFFAOYSA-N 0 0 439.427 3.363 50 0 IGAARN COc1ccc(Cc2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1OC ZINC000010311774 556330350 /nfs/dbraw/zinc/33/03/50/556330350.db2.gz MRLAHRQINWSHIH-UHFFFAOYSA-N 0 0 442.497 3.487 50 0 IGAARN O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000013960076 556347078 /nfs/dbraw/zinc/34/70/78/556347078.db2.gz ADLITXSKTFARDE-MRXNPFEDSA-N 0 0 438.740 3.133 50 0 IGAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)N1CCc2ccccc21 ZINC000065077611 556350689 /nfs/dbraw/zinc/35/06/89/556350689.db2.gz RSIQWYMZSSMSHD-AWEZNQCLSA-N 0 0 430.551 3.120 50 0 IGAARN Cc1nn(C)c2ncc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)cc12 ZINC000032796043 556353747 /nfs/dbraw/zinc/35/37/47/556353747.db2.gz MLPHJBYQJVKVKP-GFCCVEGCSA-N 0 0 428.290 3.031 50 0 IGAARN CCOc1ccc(OCCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000032795619 556357843 /nfs/dbraw/zinc/35/78/43/556357843.db2.gz XRANCKSGWOQCAO-HNNXBMFYSA-N 0 0 447.329 3.396 50 0 IGAARN O=C1CCc2cc(S(=O)(=O)N3CCS[C@@H](c4cccs4)CC3)cc3c2N1CC3 ZINC000219558371 556358877 /nfs/dbraw/zinc/35/88/77/556358877.db2.gz IPDTVYCWHDNPTO-GOSISDBHSA-N 0 0 434.608 3.452 50 0 IGAARN O=C1CCc2cc(S(=O)(=O)N3CCS[C@H](c4cccs4)CC3)cc3c2N1CC3 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50 0 IGAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000014168745 556380556 /nfs/dbraw/zinc/38/05/56/556380556.db2.gz MBSKXWCAHDSVLV-BULFRSBZSA-N 0 0 445.519 3.410 50 0 IGAARN Cn1cnnc1Sc1ccc(CN2CCC(=O)N(Cc3ccccc3Cl)CC2)o1 ZINC000011975388 556383166 /nfs/dbraw/zinc/38/31/66/556383166.db2.gz PAVUXVXFYLJHHO-UHFFFAOYSA-N 0 0 431.949 3.447 50 0 IGAARN Cc1c(C(=O)N2CCCC[C@H]2CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000011974799 556383221 /nfs/dbraw/zinc/38/32/21/556383221.db2.gz FMZCAJMWWHZFOH-HNNXBMFYSA-N 0 0 440.525 3.328 50 0 IGAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000014196708 556388387 /nfs/dbraw/zinc/38/83/87/556388387.db2.gz VVXSQBQNJDBUPM-UHFFFAOYSA-N 0 0 435.528 3.305 50 0 IGAARN CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cnsn3)C2)cc1 ZINC000012041433 556391008 /nfs/dbraw/zinc/39/10/08/556391008.db2.gz UXEHPEJPNULTSU-KRWDZBQOSA-N 0 0 427.530 3.089 50 0 IGAARN CCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 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568822855 /nfs/dbraw/zinc/82/28/55/568822855.db2.gz XOXLKFRUOWPJPK-UHFFFAOYSA-N 0 0 447.447 3.279 50 0 IGAARN COCCn1c(CN(C)C(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O ZINC000015775182 568823326 /nfs/dbraw/zinc/82/33/26/568823326.db2.gz SZDAAHDGHKXBSZ-UHFFFAOYSA-N 0 0 445.317 3.469 50 0 IGAARN C[C@@H](CNC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 ZINC000015779757 568825007 /nfs/dbraw/zinc/82/50/07/568825007.db2.gz FZHZMFLELUMHCG-KRWDZBQOSA-N 0 0 433.487 3.262 50 0 IGAARN O=S(=O)(CCc1ccccc1)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000015783948 568826770 /nfs/dbraw/zinc/82/67/70/568826770.db2.gz ZEJPUQXNEIXLRX-UHFFFAOYSA-N 0 0 430.530 3.302 50 0 IGAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccccc4OC)ccc3=O)n2)cc1OC ZINC000085644368 568829313 /nfs/dbraw/zinc/82/93/13/568829313.db2.gz WJQNVSVUPVIUAY-UHFFFAOYSA-N 0 0 434.452 3.425 50 0 IGAARN CCc1ccccc1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2sc1=O ZINC000085651898 568831614 /nfs/dbraw/zinc/83/16/14/568831614.db2.gz SQOZOFFROYTULZ-UHFFFAOYSA-N 0 0 445.566 3.049 50 0 IGAARN COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(OC)c1OC ZINC000019781687 568836882 /nfs/dbraw/zinc/83/68/82/568836882.db2.gz SZYPCHFFOGTJQE-UHFFFAOYSA-N 0 0 446.544 3.056 50 0 in-vitro IGAARN COc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1 ZINC000015823136 568840056 /nfs/dbraw/zinc/84/00/56/568840056.db2.gz IJYZVFNVIMTBPM-UHFFFAOYSA-N 0 0 430.482 3.470 50 0 IGAARN Cc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000015827388 568840945 /nfs/dbraw/zinc/84/09/45/568840945.db2.gz HUKNVCKBWLGFNL-UHFFFAOYSA-N 0 0 435.505 3.447 50 0 IGAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)[nH]n2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860834 568847982 /nfs/dbraw/zinc/84/79/82/568847982.db2.gz UFIZFELBJBJCET-MRXNPFEDSA-N 0 0 446.573 3.132 50 0 IGAARN Cn1nnc2cc(C(=O)N3CCC(C(=O)Nc4cccc(Br)c4)CC3)ccc21 ZINC000015863226 568849028 /nfs/dbraw/zinc/84/90/28/568849028.db2.gz JLVYVUMNUHDXBS-UHFFFAOYSA-N 0 0 442.317 3.222 50 0 IGAARN Cn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)ccc21 ZINC000015863218 568849101 /nfs/dbraw/zinc/84/91/01/568849101.db2.gz JAPXXJSNBHEBNS-UHFFFAOYSA-N 0 0 431.418 3.478 50 0 IGAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880258 568854237 /nfs/dbraw/zinc/85/42/37/568854237.db2.gz OQUVFHAOENXHGI-UHFFFAOYSA-N 0 0 441.578 3.286 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)c1 ZINC000015881778 568856123 /nfs/dbraw/zinc/85/61/23/568856123.db2.gz KSAMEEHBBRBRFW-UHFFFAOYSA-N 0 0 434.481 3.186 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000015881779 568856152 /nfs/dbraw/zinc/85/61/52/568856152.db2.gz BXUQAVDQAPYFNB-UHFFFAOYSA-N 0 0 434.481 3.186 50 0 IGAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)cc1 ZINC000015882173 568856837 /nfs/dbraw/zinc/85/68/37/568856837.db2.gz PHLCPGMONDGAEC-UHFFFAOYSA-N 0 0 430.917 3.434 50 0 IGAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc(F)c(F)c1 ZINC000015882752 568857297 /nfs/dbraw/zinc/85/72/97/568857297.db2.gz WRTGPJADVVEJJJ-UHFFFAOYSA-N 0 0 428.464 3.184 50 0 IGAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cc(OC)cc(OC)c1 ZINC000015883634 568857758 /nfs/dbraw/zinc/85/77/58/568857758.db2.gz GKBBPCPLXBQYQQ-UHFFFAOYSA-N 0 0 429.542 3.284 50 0 IGAARN COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2ccccc2)cc1=O ZINC000015883900 568858050 /nfs/dbraw/zinc/85/80/50/568858050.db2.gz AMVIJEVTTDSBLC-UHFFFAOYSA-N 0 0 438.505 3.194 50 0 IGAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000015883987 568858315 /nfs/dbraw/zinc/85/83/15/568858315.db2.gz VQEFHUMJDNSIBG-UHFFFAOYSA-N 0 0 441.539 3.190 50 0 IGAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC ZINC000015951815 568859600 /nfs/dbraw/zinc/85/96/00/568859600.db2.gz MCVKAKQUGQOMOR-UHFFFAOYSA-N 0 0 426.922 3.397 50 0 IGAARN COc1ccc(CCNC(=O)N[C@H](CCSC)c2nnc3ccccn32)cc1OC ZINC000575443451 568869522 /nfs/dbraw/zinc/86/95/22/568869522.db2.gz IMSCHFGJNOHENV-MRXNPFEDSA-N 0 0 429.546 3.083 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000016120824 568871164 /nfs/dbraw/zinc/87/11/64/568871164.db2.gz LLSRLKKUPOZJRS-UHFFFAOYSA-N 0 0 442.287 3.198 50 0 IGAARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006190544 568874848 /nfs/dbraw/zinc/87/48/48/568874848.db2.gz ZUEMQIBVLPPOSH-UHFFFAOYSA-N 0 0 444.513 3.303 50 0 IGAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575610024 568878934 /nfs/dbraw/zinc/87/89/34/568878934.db2.gz IVRGXTNHJYTKBN-NRFANRHFSA-N 0 0 449.532 3.330 50 0 IGAARN CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2C1 ZINC000035352386 568880505 /nfs/dbraw/zinc/88/05/05/568880505.db2.gz AGFBHIVPDQITQA-HNNXBMFYSA-N 0 0 448.614 3.194 50 0 IGAARN CCc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NC(C)C)c(O)c2c1 ZINC000006296638 568882386 /nfs/dbraw/zinc/88/23/86/568882386.db2.gz LNNPWRRVXRTOMT-UHFFFAOYSA-N 0 0 427.526 3.054 50 0 IGAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000009600055 568884116 /nfs/dbraw/zinc/88/41/16/568884116.db2.gz BVGGHBLMGZQWAC-UHFFFAOYSA-N 0 0 441.538 3.409 50 0 IGAARN O=C(NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)[C@@H]1COc2ccccc2O1 ZINC000090591652 568888688 /nfs/dbraw/zinc/88/86/88/568888688.db2.gz QZGYZKKDIBKOMS-QFIPXVFZSA-N 0 0 434.471 3.208 50 0 IGAARN Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000012975700 568890165 /nfs/dbraw/zinc/89/01/65/568890165.db2.gz GAWLXGQNMQDZAE-UHFFFAOYSA-N 0 0 425.504 3.358 50 0 IGAARN Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(Br)s3)cs2)n1 ZINC000090609404 568891425 /nfs/dbraw/zinc/89/14/25/568891425.db2.gz HJLGYOFFXGHKIG-UHFFFAOYSA-N 0 0 447.405 3.291 50 0 IGAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3cc(-n4cccn4)ncn3)C2)nn1 ZINC000090614202 568892515 /nfs/dbraw/zinc/89/25/15/568892515.db2.gz NYESPWXACCSNSB-SFHVURJKSA-N 0 0 440.511 3.283 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164314 568893373 /nfs/dbraw/zinc/89/33/73/568893373.db2.gz QMRDWBOJBXXNFN-KHOMTPLRSA-N 0 0 433.508 3.442 50 0 IGAARN CC(C)CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1=O ZINC000012982117 568894615 /nfs/dbraw/zinc/89/46/15/568894615.db2.gz JTZPBPMYFKRGSJ-UHFFFAOYSA-N 0 0 425.460 3.179 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1 ZINC000016427367 568897053 /nfs/dbraw/zinc/89/70/53/568897053.db2.gz HHIVSQYYPFFKRV-UHFFFAOYSA-N 0 0 429.586 3.133 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Br)o2)c1 ZINC000013003081 568898589 /nfs/dbraw/zinc/89/85/89/568898589.db2.gz BFQJMLMCURTRLX-UHFFFAOYSA-N 0 0 431.308 3.334 50 0 IGAARN COc1ccc(OCCN2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000013003900 568898643 /nfs/dbraw/zinc/89/86/43/568898643.db2.gz ULMKBKFUEBTDCL-UHFFFAOYSA-N 0 0 435.318 3.000 50 0 IGAARN Cc1cc(C)n(CCNC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n1 ZINC000253414543 568903319 /nfs/dbraw/zinc/90/33/19/568903319.db2.gz XTGFRWPLDRVBRE-FQEVSTJZSA-N 0 0 439.560 3.244 50 0 IGAARN O=C1[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N=NN4c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccn1 ZINC000238899738 568910044 /nfs/dbraw/zinc/91/00/44/568910044.db2.gz HDCGBPKOWHLDLJ-XFRLJCTCSA-N 0 0 438.285 3.224 50 0 IGAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000239762208 568911656 /nfs/dbraw/zinc/91/16/56/568911656.db2.gz CLJSSRWBCAOWQK-BRWVUGGUSA-N 0 0 441.553 3.374 50 0 IGAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)[C@H]1C ZINC000239654499 568911721 /nfs/dbraw/zinc/91/17/21/568911721.db2.gz BOBQLVBUZPIZQF-MEGQDDJESA-N 0 0 436.350 3.157 50 0 IGAARN CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000241630917 568912313 /nfs/dbraw/zinc/91/23/13/568912313.db2.gz PMLJFGWBZUAJDV-RXVVDRJESA-N 0 0 425.485 3.296 50 0 IGAARN CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253750 568913486 /nfs/dbraw/zinc/91/34/86/568913486.db2.gz MSJJTVWAATYDKJ-KUWBRRTOSA-N 0 0 434.577 3.297 50 0 IGAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 ZINC000245276856 568914253 /nfs/dbraw/zinc/91/42/53/568914253.db2.gz XWGPSZXPTCQYHK-WHSLLNHNSA-N 0 0 430.526 3.132 50 0 aggregator IGAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3n[nH]c4c3cccc4Cl)cc(C(C)C)nc21 ZINC000089302553 568920420 /nfs/dbraw/zinc/92/04/20/568920420.db2.gz ONLAXXZLSHDFKE-UHFFFAOYSA-N 0 0 426.864 3.010 50 0 IGAARN CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000089375114 568922147 /nfs/dbraw/zinc/92/21/47/568922147.db2.gz FWCLZZAOSCRDSU-RXVVDRJESA-N 0 0 433.524 3.320 50 0 IGAARN COc1cccc(C=NNc2[nH]c(=O)nnc2C)c1OCc1ccc(Br)cc1 ZINC000252477154 568923074 /nfs/dbraw/zinc/92/30/74/568923074.db2.gz JDYPBKOARUYKEK-UHFFFAOYSA-N 0 0 444.289 3.269 50 0 IGAARN COc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001931512 568923524 /nfs/dbraw/zinc/92/35/24/568923524.db2.gz VGPZKBLZABBOOS-NSHDSACASA-N 0 0 425.268 3.302 50 0 IGAARN COCc1cccc(OCC2(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)CC2)c1 ZINC000089420358 568924415 /nfs/dbraw/zinc/92/44/15/568924415.db2.gz QEQIGBGCOPQCBY-UHFFFAOYSA-N 0 0 441.547 3.387 50 0 IGAARN CC1=C(C(=O)OC(C)C)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000850162 568924594 /nfs/dbraw/zinc/92/45/94/568924594.db2.gz PKYLHUDYXMUJFB-VWLOTQADSA-N 0 0 448.475 3.046 50 0 IGAARN C[C@@H]1S[C@]2(c3ccccc3N(CN3CCOCC3)C2=O)N(c2ccc(Cl)cc2)C1=O ZINC000016608157 568925423 /nfs/dbraw/zinc/92/54/23/568925423.db2.gz OUDRBVUHBZQLGB-NYHFZMIOSA-N 0 0 443.956 3.298 50 0 IGAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)COc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000016609302 568925752 /nfs/dbraw/zinc/92/57/52/568925752.db2.gz ARAUOYQHTUVWNQ-NRFANRHFSA-N 0 0 439.537 3.402 50 0 IGAARN COc1ccccc1N(CCC(N)=O)C(=O)CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089473790 568926484 /nfs/dbraw/zinc/92/64/84/568926484.db2.gz DEDKKMWYYTVVJW-UHFFFAOYSA-N 0 0 432.524 3.174 50 0 IGAARN CS(=O)(=O)CCCNC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000064489925 568930927 /nfs/dbraw/zinc/93/09/27/568930927.db2.gz HOCDXXRRNKKNKI-UHFFFAOYSA-N 0 0 439.125 3.122 50 0 IGAARN CCCC[C@@H](C)C(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579062 568934100 /nfs/dbraw/zinc/93/41/00/568934100.db2.gz MSPOGIQEPIODTB-LJQANCHMSA-N 0 0 433.556 3.315 50 0 IGAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])CC1 ZINC000064580565 568934541 /nfs/dbraw/zinc/93/45/41/568934541.db2.gz HRVXHLIFNDOZSV-UHFFFAOYSA-N 0 0 431.558 3.334 50 0 IGAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C)cc4C)nnc3c2=O)cc1 ZINC000064593151 568935809 /nfs/dbraw/zinc/93/58/09/568935809.db2.gz BOFVQUVGWOKWDP-UHFFFAOYSA-N 0 0 435.509 3.236 50 0 IGAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000089532412 568936452 /nfs/dbraw/zinc/93/64/52/568936452.db2.gz KNDKAFHFLUMTLV-APWZRJJASA-N 0 0 441.557 3.298 50 0 IGAARN Cc1oc(C(=O)Nc2cncc(Br)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000089536605 568936563 /nfs/dbraw/zinc/93/65/63/568936563.db2.gz FXQCOZAVNFPZNE-UHFFFAOYSA-N 0 0 448.726 3.436 50 0 IGAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(OC)c2)C1 ZINC000016690074 568938453 /nfs/dbraw/zinc/93/84/53/568938453.db2.gz CRAKOLVKNRAHQG-QAPCUYQASA-N 0 0 444.557 3.432 50 0 IGAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000064604816 568938923 /nfs/dbraw/zinc/93/89/23/568938923.db2.gz OEWQVPBOTBFMPC-UHFFFAOYSA-N 0 0 441.285 3.270 50 0 IGAARN CN(CC(=O)N1CCOCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704232 568944649 /nfs/dbraw/zinc/94/46/49/568944649.db2.gz FCEAIXVCESMDPF-UHFFFAOYSA-N 0 0 446.552 3.102 50 0 IGAARN Cc1ccc(Sc2ccc3nn(CC(=O)N4CCOc5ccc(C)cc54)c(=O)n3n2)cc1 ZINC000064710235 568944718 /nfs/dbraw/zinc/94/47/18/568944718.db2.gz GZPKGKWVUSFIDZ-UHFFFAOYSA-N 0 0 447.520 3.085 50 0 IGAARN Cc1cccc(-n2nc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086804 568949162 /nfs/dbraw/zinc/94/91/62/568949162.db2.gz XVCHZKJETIANGA-IBGZPJMESA-N 0 0 440.503 3.242 50 0 IGAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087864 568949496 /nfs/dbraw/zinc/94/94/96/568949496.db2.gz KMIVLVRWCKPBMB-SFHVURJKSA-N 0 0 434.540 3.403 50 0 IGAARN Cc1cc(C)cc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000036094041 568950855 /nfs/dbraw/zinc/95/08/55/568950855.db2.gz LKVWZZPAXRPLNX-UHFFFAOYSA-N 0 0 440.931 3.099 50 0 IGAARN Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000064758958 568951770 /nfs/dbraw/zinc/95/17/70/568951770.db2.gz RUTKJNPTPVJQSU-UHFFFAOYSA-N 0 0 441.539 3.251 50 0 IGAARN O=C(Cn1c(=O)c(C(=O)NC2CC2)cnc1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000064759405 568951815 /nfs/dbraw/zinc/95/18/15/568951815.db2.gz MTZPZUIEQCPEBS-UHFFFAOYSA-N 0 0 440.862 3.234 50 0 IGAARN COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(F)cc3Cl)CC2=O)cc1OC ZINC000064761463 568952539 /nfs/dbraw/zinc/95/25/39/568952539.db2.gz XJQSPJUIJBQTLC-MRXNPFEDSA-N 0 0 434.895 3.204 50 0 IGAARN CCCNC(=O)Cn1c(=O)c2oc3ccccc3c2n(Cc2ccc(F)cc2Cl)c1=O ZINC000064769511 568953329 /nfs/dbraw/zinc/95/33/29/568953329.db2.gz DGICDHGKUUTMFT-UHFFFAOYSA-N 0 0 443.862 3.276 50 0 IGAARN COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000064775146 568954541 /nfs/dbraw/zinc/95/45/41/568954541.db2.gz GRUVIPGTESQOQH-UHFFFAOYSA-N 0 0 444.447 3.299 50 0 IGAARN CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776091 568955095 /nfs/dbraw/zinc/95/50/95/568955095.db2.gz XQCSXQVEEFLYOU-OAQYLSRUSA-N 0 0 429.524 3.188 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C1CC1 ZINC000036120477 568957568 /nfs/dbraw/zinc/95/75/68/568957568.db2.gz DMVVPYNMYBFDGH-SFHVURJKSA-N 0 0 432.517 3.029 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036121742 568958030 /nfs/dbraw/zinc/95/80/30/568958030.db2.gz SMGZCMVIYYZYDY-HXUWFJFHSA-N 0 0 446.544 3.277 50 0 IGAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC[C@@H](O)COC(C)C)cc2)n1 ZINC000036145708 568961820 /nfs/dbraw/zinc/96/18/20/568961820.db2.gz VXMFEIPEWARCCO-OAQYLSRUSA-N 0 0 444.507 3.296 50 0 IGAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036148033 568962338 /nfs/dbraw/zinc/96/23/38/568962338.db2.gz SKXVCVZHMNRWJC-IBGZPJMESA-N 0 0 431.533 3.064 50 0 IGAARN CCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036148031 568962507 /nfs/dbraw/zinc/96/25/07/568962507.db2.gz SKXVCVZHMNRWJC-LJQANCHMSA-N 0 0 431.533 3.064 50 0 IGAARN Cc1c(CC(=O)N2CCCC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000064813646 568963791 /nfs/dbraw/zinc/96/37/91/568963791.db2.gz ROYKMWCKLGZSMO-UHFFFAOYSA-N 0 0 427.508 3.080 50 0 IGAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCCOC)cc1 ZINC000064816341 568965109 /nfs/dbraw/zinc/96/51/09/568965109.db2.gz FUBLULLUEOHPEK-HSZRJFAPSA-N 0 0 438.553 3.356 50 0 IGAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838446 568970025 /nfs/dbraw/zinc/97/00/25/568970025.db2.gz ATADHVXNSAKUGV-UHFFFAOYSA-N 0 0 432.448 3.215 50 0 IGAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(-c2cccc(C)c2)n1 ZINC000064841493 568970234 /nfs/dbraw/zinc/97/02/34/568970234.db2.gz VXVKUQLYOJXOBW-UHFFFAOYSA-N 0 0 428.514 3.175 50 0 IGAARN CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccccc4OC)csc3[nH]2)CC1 ZINC000036204173 568972501 /nfs/dbraw/zinc/97/25/01/568972501.db2.gz QVXLPMNVGBUTGL-UHFFFAOYSA-N 0 0 427.526 3.435 50 0 IGAARN COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036210531 568974795 /nfs/dbraw/zinc/97/47/95/568974795.db2.gz LOTRCCPBUZCXDE-WZONZLPQSA-N 0 0 445.604 3.239 50 0 IGAARN C[C@@H]1CCCCN1C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036213567 568977447 /nfs/dbraw/zinc/97/74/47/568977447.db2.gz FJXIPSMCRRQGJY-WIYYLYMNSA-N 0 0 442.604 3.406 50 0 IGAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036213802 568977624 /nfs/dbraw/zinc/97/76/24/568977624.db2.gz QJSZWSRKMOVDKN-NRFANRHFSA-N 0 0 442.604 3.326 50 0 IGAARN CC(=O)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064888846 568979483 /nfs/dbraw/zinc/97/94/83/568979483.db2.gz AELZBCVJOSJMSF-UHFFFAOYSA-N 0 0 440.525 3.052 50 0 IGAARN CCOc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000064889069 568980129 /nfs/dbraw/zinc/98/01/29/568980129.db2.gz 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COc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cn2)cc1 ZINC000064942618 568992224 /nfs/dbraw/zinc/99/22/24/568992224.db2.gz SVIMKOPNUAHCMR-UHFFFAOYSA-N 0 0 428.466 3.193 50 0 IGAARN O=C(NCCc1cccnc1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681228 568992795 /nfs/dbraw/zinc/99/27/95/568992795.db2.gz SDAQVGPFBBDYQT-UHFFFAOYSA-N 0 0 441.466 3.204 50 0 IGAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N[C@@H](C)c3ccccn3)c2=O)cc1 ZINC000169681271 568992903 /nfs/dbraw/zinc/99/29/03/568992903.db2.gz ZIMMEZBXFYTKEW-INIZCTEOSA-N 0 0 435.484 3.082 50 0 IGAARN CCc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)c1 ZINC000064943871 568993150 /nfs/dbraw/zinc/99/31/50/568993150.db2.gz IYKDOJAYZKFOMK-UHFFFAOYSA-N 0 0 439.537 3.401 50 0 IGAARN CCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc2sc1=O ZINC000064946793 568993810 /nfs/dbraw/zinc/99/38/10/568993810.db2.gz TUZSCAMWJUGKFL-UHFFFAOYSA-N 0 0 431.583 3.211 50 0 IGAARN Cc1nnc2c(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)nc3ccccc3n12 ZINC000064949072 568994724 /nfs/dbraw/zinc/99/47/24/568994724.db2.gz CPXMHTVBAYAAHM-UHFFFAOYSA-N 0 0 436.516 3.166 50 0 IGAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CC2)n1 ZINC000064947149 568995163 /nfs/dbraw/zinc/99/51/63/568995163.db2.gz NCDRFTNSIZSFFX-UHFFFAOYSA-N 0 0 440.481 3.321 50 0 IGAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000006806064 568996450 /nfs/dbraw/zinc/99/64/50/568996450.db2.gz WWKLAMUKOAHEMH-GOSISDBHSA-N 0 0 425.558 3.303 50 0 IGAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312323 568997640 /nfs/dbraw/zinc/99/76/40/568997640.db2.gz GKUYUTUQJZIEEK-UHFFFAOYSA-N 0 0 426.561 3.259 50 0 IGAARN CCNC(=S)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313360 568998500 /nfs/dbraw/zinc/99/85/00/568998500.db2.gz SMVUMPPZJQGXCO-INIZCTEOSA-N 0 0 448.564 3.193 50 0 IGAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 ZINC000064958271 568999639 /nfs/dbraw/zinc/99/96/39/568999639.db2.gz NDMYVOIBQMIKAL-ZDUSSCGKSA-N 0 0 428.917 3.296 50 0 IGAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4c3CCCC4)C2)c1 ZINC000064958340 568999647 /nfs/dbraw/zinc/99/96/47/568999647.db2.gz VKEGOSPHIMFRNF-SFHVURJKSA-N 0 0 430.574 3.382 50 0 IGAARN COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)c(OC)c1 ZINC000064959776 569000052 /nfs/dbraw/zinc/00/00/52/569000052.db2.gz QVOZGSRYHMGLSB-UHFFFAOYSA-N 0 0 448.523 3.185 50 0 IGAARN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Br)cc1F ZINC000064963960 569000815 /nfs/dbraw/zinc/00/08/15/569000815.db2.gz QDLQQQILWMHOKF-UHFFFAOYSA-N 0 0 444.326 3.354 50 0 IGAARN CC[C@@H](C(=O)NCc1ccc(OC)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970885 569076331 /nfs/dbraw/zinc/07/63/31/569076331.db2.gz IBMVOXXCGWPCDJ-NRFANRHFSA-N 0 0 445.523 3.475 50 0 IGAARN CCn1nnc2cc(-c3noc([C@H](NS(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21 ZINC000064979899 569078265 /nfs/dbraw/zinc/07/82/65/569078265.db2.gz SZWICAMKQSCFSW-LJQANCHMSA-N 0 0 440.529 3.485 50 0 IGAARN CCCCOC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340139 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O=C(NCc1ccc(Br)cc1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000096387383 569398882 /nfs/dbraw/zinc/39/88/82/569398882.db2.gz HJPDCFGPAWZOTO-UHFFFAOYSA-N 0 0 426.318 3.320 50 0 IGAARN COc1ccccc1N1CCN(C(=O)c2nc3nc(C)cc(C)c3c(N3CCCC3)n2)CC1 ZINC000096396757 569399254 /nfs/dbraw/zinc/39/92/54/569399254.db2.gz TYHDRSSZLPCFBW-UHFFFAOYSA-N 0 0 446.555 3.213 50 0 IGAARN Cc1oc(C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc1C(=O)N1CCCC1 ZINC000096397153 569399348 /nfs/dbraw/zinc/39/93/48/569399348.db2.gz NYHAVERQCACMOG-UHFFFAOYSA-N 0 0 439.484 3.066 50 0 IGAARN Cc1oc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nc1C(=O)N1CCCC1 ZINC000096397140 569399361 /nfs/dbraw/zinc/39/93/61/569399361.db2.gz QWBZPACXLYIZRF-UHFFFAOYSA-N 0 0 431.558 3.404 50 0 IGAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccc(F)cc3)sc2c1 ZINC000096399486 569400010 /nfs/dbraw/zinc/40/00/10/569400010.db2.gz XEDIHPAZGBKDKD-UHFFFAOYSA-N 0 0 425.532 3.215 50 0 IGAARN O=C(c1ccc2ncnc(N3CCOCC3)c2c1)N1CCN(c2ccccc2Cl)CC1 ZINC000096399992 569400255 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CCNC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(C)cc3)ccc1=O)CCCC2 ZINC000009205890 569511353 /nfs/dbraw/zinc/51/13/53/569511353.db2.gz DLUULKPEARJNPZ-UHFFFAOYSA-N 0 0 436.537 3.483 50 0 IGAARN Cc1ccc(C(=O)N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000009206706 569511397 /nfs/dbraw/zinc/51/13/97/569511397.db2.gz NCZSZIIEIGLBKP-UHFFFAOYSA-N 0 0 449.532 3.217 50 0 IGAARN CCCc1ccc([C@@]2(C)NC(=O)N(Cc3nc(N)nc(Nc4ccccc4C)n3)C2=O)cc1 ZINC000009206828 569511420 /nfs/dbraw/zinc/51/14/20/569511420.db2.gz QIXMJFXKTIRPNZ-XMMPIXPASA-N 0 0 445.527 3.426 50 0 IGAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009211558 569511846 /nfs/dbraw/zinc/51/18/46/569511846.db2.gz NPBYGQIZAPRAFL-OAHLLOKOSA-N 0 0 433.489 3.018 50 0 IGAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009211532 569511856 /nfs/dbraw/zinc/51/18/56/569511856.db2.gz SSDVQJLCHVMQMY-UHFFFAOYSA-N 0 0 449.532 3.477 50 0 IGAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 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O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009255155 569516515 /nfs/dbraw/zinc/51/65/15/569516515.db2.gz VEFMBPWUQCXFGJ-GOSISDBHSA-N 0 0 439.518 3.006 50 0 IGAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)OCC(=O)Nc1cccnc1Cl)C(C)C ZINC000009257373 569516794 /nfs/dbraw/zinc/51/67/94/569516794.db2.gz SJVINLDDVZKISA-GOSISDBHSA-N 0 0 433.892 3.070 50 0 IGAARN Nc1nc(CSc2nnc(NC[C@H]3CCCO3)s2)nc(Nc2ccc(F)cc2)n1 ZINC000009257830 569516868 /nfs/dbraw/zinc/51/68/68/569516868.db2.gz YMCUEXLWILKXTO-GFCCVEGCSA-N 0 0 434.526 3.071 50 0 IGAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000009262498 569517067 /nfs/dbraw/zinc/51/70/67/569517067.db2.gz MTBIJSFIBLYKJU-LLVKDONJSA-N 0 0 434.522 3.115 50 0 IGAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)cc2)n1C ZINC000009263763 569517179 /nfs/dbraw/zinc/51/71/79/569517179.db2.gz HQQJBBGEFJAACY-BBRMVZONSA-N 0 0 435.981 3.437 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264015 569517320 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COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F ZINC000020744398 523910435 /nfs/dbraw/zinc/91/04/35/523910435.db2.gz SQBZIMXUFWAXFS-FPOVZHCZSA-N 0 0 440.450 3.129 50 0 IGAARN COc1ccc(CCNC(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)cc1 ZINC000012129505 523958093 /nfs/dbraw/zinc/95/80/93/523958093.db2.gz PSJWIKITSZYBGL-UHFFFAOYSA-N 0 0 438.480 3.395 50 0 IGAARN CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000020604312 523967274 /nfs/dbraw/zinc/96/72/74/523967274.db2.gz AWHNVEPCSGIUQT-UHFFFAOYSA-N 0 0 437.500 3.457 50 0 IGAARN COc1ccc(CCn2c(C)cc(C(=O)CN3CCN(c4ncccn4)CC3)c2C)cc1 ZINC000035392735 523985883 /nfs/dbraw/zinc/98/58/83/523985883.db2.gz SPFGFZBAGRGIPA-UHFFFAOYSA-N 0 0 433.556 3.151 50 0 IGAARN COc1ccc(CNC(=O)CNC(=S)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000020678641 524052039 /nfs/dbraw/zinc/05/20/39/524052039.db2.gz HMOUDXRWWUMVDA-UHFFFAOYSA-N 0 0 434.565 3.283 50 0 IGAARN COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000012570685 524054662 /nfs/dbraw/zinc/05/46/62/524054662.db2.gz WKYSJTHAUARRNQ-VWLOTQADSA-N 0 0 443.547 3.369 50 0 IGAARN COc1ccc(CNC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1OC ZINC000012916988 524056015 /nfs/dbraw/zinc/05/60/15/524056015.db2.gz YUZAVSUYENUSFP-UHFFFAOYSA-N 0 0 435.505 3.459 50 0 IGAARN COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1OC ZINC000022606379 524057535 /nfs/dbraw/zinc/05/75/35/524057535.db2.gz JKSATTKKEZOBMG-UHFFFAOYSA-N 0 0 442.541 3.448 50 0 IGAARN CN(C)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000012140800 524058699 /nfs/dbraw/zinc/05/86/99/524058699.db2.gz NJQXDUXFBOYFLM-UHFFFAOYSA-N 0 0 435.546 3.194 50 0 IGAARN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 ZINC000012746805 524064026 /nfs/dbraw/zinc/06/40/26/524064026.db2.gz XYQURKQCQDPBRS-INIZCTEOSA-N 0 0 449.598 3.062 50 0 IGAARN COc1ccc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCC3)c2=O)cc1 ZINC000015071713 524067693 /nfs/dbraw/zinc/06/76/93/524067693.db2.gz DPOJNYDCXDYKON-UHFFFAOYSA-N 0 0 425.529 3.069 50 0 IGAARN Cc1ccc2oc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)nc2n1 ZINC000015867833 524097098 /nfs/dbraw/zinc/09/70/98/524097098.db2.gz JNBLCOQCATTXPW-UHFFFAOYSA-N 0 0 434.543 3.339 50 0 IGAARN C[C@H]1CCCN(c2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c3ccccc32)C1 ZINC000033175089 524109812 /nfs/dbraw/zinc/10/98/12/524109812.db2.gz OYBFALMGEBBJRT-INIZCTEOSA-N 0 0 434.496 3.043 50 0 IGAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)c1 ZINC000021155929 524131680 /nfs/dbraw/zinc/13/16/80/524131680.db2.gz YGUQKJIRDFMUMW-XMMPIXPASA-N 0 0 430.552 3.496 50 0 IGAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020308727 524136609 /nfs/dbraw/zinc/13/66/09/524136609.db2.gz OPXHXBPKMWBYTO-HSZRJFAPSA-N 0 0 448.519 3.296 50 0 IGAARN C[C@@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012855154 524169661 /nfs/dbraw/zinc/16/96/61/524169661.db2.gz DFCVWQULHWTTMZ-AWEZNQCLSA-N 0 0 448.416 3.137 50 0 IGAARN Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)C(C)C)c1 ZINC000012929212 524209526 /nfs/dbraw/zinc/20/95/26/524209526.db2.gz JMAHDRJLYJAVJJ-NRFANRHFSA-N 0 0 439.512 3.258 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000012707877 524222292 /nfs/dbraw/zinc/22/22/92/524222292.db2.gz YDPIIUXIXTYWGZ-INIZCTEOSA-N 0 0 433.940 3.378 50 0 IGAARN Cc1ccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)cc1 ZINC000035432428 524230364 /nfs/dbraw/zinc/23/03/64/524230364.db2.gz GCMMRFKLJJVDTF-UHFFFAOYSA-N 0 0 425.554 3.020 50 0 IGAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)c(Cl)c4)CC3)NC2=O)cc1C ZINC000035430785 524231344 /nfs/dbraw/zinc/23/13/44/524231344.db2.gz VXMLEKZNBWBYRG-UHFFFAOYSA-N 0 0 442.922 3.446 50 0 IGAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)[C@@H](c3ccco3)C2)cc1 ZINC000012549515 524233594 /nfs/dbraw/zinc/23/35/94/524233594.db2.gz RRPSQEKIZDGOBQ-LJQANCHMSA-N 0 0 449.488 3.110 50 0 IGAARN Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000021541899 524244923 /nfs/dbraw/zinc/24/49/23/524244923.db2.gz GRIQINWDJVEKMJ-QGZVFWFLSA-N 0 0 438.557 3.235 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000022912072 524275281 /nfs/dbraw/zinc/27/52/81/524275281.db2.gz SIHHGRJNKHWOGX-NRFANRHFSA-N 0 0 445.991 3.091 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N(C(C)C)C2CCCCC2)CC1 ZINC000022797201 524275683 /nfs/dbraw/zinc/27/56/83/524275683.db2.gz NKHWWQCTIZVWPI-UHFFFAOYSA-N 0 0 428.621 3.429 50 0 IGAARN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000022934008 524276469 /nfs/dbraw/zinc/27/64/69/524276469.db2.gz JQEJANKDFCVDKL-UHFFFAOYSA-N 0 0 430.499 3.167 50 0 IGAARN Cc1cccc(C)c1NC(=O)Cn1nnc(C(=O)Nc2ccc(Br)cc2)c1N ZINC000020575031 524284204 /nfs/dbraw/zinc/28/42/04/524284204.db2.gz LZSVSNXKQKEEPM-UHFFFAOYSA-N 0 0 443.305 3.131 50 0 IGAARN Cc1cc(C)c(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000015883469 524289229 /nfs/dbraw/zinc/28/92/29/524289229.db2.gz BSAVEYWJWBDBHQ-UHFFFAOYSA-N 0 0 440.569 3.412 50 0 IGAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012532984 524356547 /nfs/dbraw/zinc/35/65/47/524356547.db2.gz AIUKBKWGCUHHGN-HDICACEKSA-N 0 0 444.553 3.458 50 0 IGAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000240551684 524356771 /nfs/dbraw/zinc/35/67/71/524356771.db2.gz GVJWQFABZQQVIR-UEXGIBASSA-N 0 0 438.524 3.425 50 0 IGAARN COc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000034927592 524390163 /nfs/dbraw/zinc/39/01/63/524390163.db2.gz WBNSZEHDZLUIQD-UHFFFAOYSA-N 0 0 432.567 3.264 50 0 IGAARN Cc1cccc(CN2CCN(C(=O)CN(C)C(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000022228240 524396134 /nfs/dbraw/zinc/39/61/34/524396134.db2.gz XSNMZAXFCLKYJU-UHFFFAOYSA-N 0 0 431.939 3.133 50 0 IGAARN COc1ccc(N2C(=O)[C@H](C)[C@@H]3c4cc(Br)ccc4OC(=O)[C@@H]3C2=O)cc1 ZINC000012417457 524396909 /nfs/dbraw/zinc/39/69/09/524396909.db2.gz IWHUSWUOBFMKLW-LWNYNHHKSA-N 0 0 430.254 3.286 50 0 IGAARN Cc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)n1 ZINC000012304210 524419198 /nfs/dbraw/zinc/41/91/98/524419198.db2.gz AKLBNSLVRRJYRE-DEOSSOPVSA-N 0 0 444.535 3.189 50 0 IGAARN COc1ccccc1CN1C[C@@H](C(=O)N2CCN(Cc3cccc(C)c3)CC2)CCC1=O ZINC000020450478 524455314 /nfs/dbraw/zinc/45/53/14/524455314.db2.gz SRBJTRAOLNQEMM-QHCPKHFHSA-N 0 0 435.568 3.087 50 0 IGAARN COc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)ccc21 ZINC000035528235 524466968 /nfs/dbraw/zinc/46/69/68/524466968.db2.gz XQHISHYQEKGLBJ-UHFFFAOYSA-N 0 0 441.487 3.261 50 0 IGAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(C)c1 ZINC000012111938 524484442 /nfs/dbraw/zinc/48/44/42/524484442.db2.gz QVBUNWXZMIVTAW-KRWDZBQOSA-N 0 0 434.562 3.163 50 0 IGAARN Cc1ccc(CN2c3ccccc3[C@@]3(C2=O)N(c2ccccc2)C(=O)CS3(=O)=O)cc1 ZINC000020577261 524485813 /nfs/dbraw/zinc/48/58/13/524485813.db2.gz CQUNFUIQFLUNHZ-XMMPIXPASA-N 0 0 432.501 3.156 50 0 IGAARN COc1ccc(NC(=O)CCc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1OC ZINC000015736312 524489247 /nfs/dbraw/zinc/48/92/47/524489247.db2.gz CTVNHBZNJQQUFM-UHFFFAOYSA-N 0 0 447.495 3.086 50 0 IGAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccccc2Cl)n1 ZINC000012231773 524498103 /nfs/dbraw/zinc/49/81/03/524498103.db2.gz LIGNJAPCLDNYAX-UHFFFAOYSA-N 0 0 440.935 3.057 50 0 IGAARN C[C@@H](CCc1ccccc1)n1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000020757317 524536372 /nfs/dbraw/zinc/53/63/72/524536372.db2.gz RBPLPCIJFWKKGD-NYHFZMIOSA-N 0 0 430.508 3.152 50 0 IGAARN Cc1cccc(N2CCN(C(=O)CCCn3nc(C)n4c5ccoc5cc4c3=O)CC2)c1C ZINC000020866270 524542899 /nfs/dbraw/zinc/54/28/99/524542899.db2.gz ZBVMETBEJZBYSA-UHFFFAOYSA-N 0 0 447.539 3.296 50 0 IGAARN COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000020613765 524549447 /nfs/dbraw/zinc/54/94/47/524549447.db2.gz OADUOECVXLNBPA-HNNXBMFYSA-N 0 0 431.895 3.189 50 0 IGAARN Cc1cc(C)n2nc(C(=O)OCc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)nc2n1 ZINC000021985989 524567722 /nfs/dbraw/zinc/56/77/22/524567722.db2.gz RNQOFKKJBCNJNL-UHFFFAOYSA-N 0 0 432.465 3.063 50 0 IGAARN Cc1cccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)c1 ZINC000021702788 524586760 /nfs/dbraw/zinc/58/67/60/524586760.db2.gz OVHUIOHYNPYGPH-UHFFFAOYSA-N 0 0 440.525 3.401 50 0 IGAARN Cc1cccc(NC(=O)Cn2c3nc(N4CCCCC4)sc3c(=O)n(C(C)C)c2=O)c1 ZINC000033141029 524608964 /nfs/dbraw/zinc/60/89/64/524608964.db2.gz KRLFCHABSPEMOK-UHFFFAOYSA-N 0 0 441.557 3.138 50 0 IGAARN COc1ccc(NC(=O)[C@H](OC(=O)C2CCN(C(N)=O)CC2)c2ccccc2)cc1Cl ZINC000012926824 524610658 /nfs/dbraw/zinc/61/06/58/524610658.db2.gz SXWBINUOPCLKNQ-LJQANCHMSA-N 0 0 445.903 3.362 50 0 IGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000012598967 524625567 /nfs/dbraw/zinc/62/55/67/524625567.db2.gz UYVCDJGCJKBPGF-UHFFFAOYSA-N 0 0 435.480 3.205 50 0 IGAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000012437624 524628434 /nfs/dbraw/zinc/62/84/34/524628434.db2.gz TVFPRXIMOJAIBE-BZZOAKBMSA-N 0 0 449.488 3.488 50 0 IGAARN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000012206967 524662622 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3.418 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000012859410 524754006 /nfs/dbraw/zinc/75/40/06/524754006.db2.gz KUDIZZOXVFMMPE-ZDUSSCGKSA-N 0 0 447.948 3.418 50 0 IGAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccco3)no2)c1 ZINC000036014719 524788315 /nfs/dbraw/zinc/78/83/15/524788315.db2.gz DMYTXPAZLBBZLQ-IBGZPJMESA-N 0 0 439.468 3.263 50 0 IGAARN COc1ccccc1[C@H]1CN(C(=O)c2ccco2)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000036055072 524816589 /nfs/dbraw/zinc/81/65/89/524816589.db2.gz CDIGWGQYBBNWHP-RTBURBONSA-N 0 0 448.475 3.189 50 0 IGAARN COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000020548693 524822327 /nfs/dbraw/zinc/82/23/27/524822327.db2.gz GTAKVCUTEDGJFM-UHFFFAOYSA-N 0 0 441.503 3.299 50 0 IGAARN COc1ccc(OC)c(CN2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)c1 ZINC000012815710 524829174 /nfs/dbraw/zinc/82/91/74/524829174.db2.gz WZNMHMZJCUJADR-UHFFFAOYSA-N 0 0 428.554 3.139 50 0 IGAARN COc1ccc(OC)c(NC(=O)[C@@H](C)n2nnc(-c3ccc(Br)cc3)n2)c1 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50 0 IGAARN CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000010102474 535132139 /nfs/dbraw/zinc/13/21/39/535132139.db2.gz DYFCXPMFJDKTGN-CYBMUJFWSA-N 0 0 431.924 3.147 50 0 IGAARN COc1cc(NC(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc(OC)c1OC ZINC000013606738 536842546 /nfs/dbraw/zinc/84/25/46/536842546.db2.gz CXMXYRMRGHTFSK-UHFFFAOYSA-N 0 0 439.472 3.117 50 0 IGAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2C)c1 ZINC000009263935 537070049 /nfs/dbraw/zinc/07/00/49/537070049.db2.gz CVZJKKVMYCKYQP-UHFFFAOYSA-N 0 0 439.541 3.058 50 0 IGAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)CC1 ZINC000008758888 537071790 /nfs/dbraw/zinc/07/17/90/537071790.db2.gz KSKWOGZHOPFEBQ-QGZVFWFLSA-N 0 0 430.508 3.430 50 0 IGAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1cccc(C)c1)c3=O ZINC000009519238 537076095 /nfs/dbraw/zinc/07/60/95/537076095.db2.gz NMKBMGLWNYIVQD-KRWDZBQOSA-N 0 0 445.523 3.050 50 0 IGAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Br ZINC000000672572 555531873 /nfs/dbraw/zinc/53/18/73/555531873.db2.gz LOQTXVBEPRMCEM-UHFFFAOYSA-N 0 0 439.331 3.495 50 0 IGAARN COc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1Cl ZINC000000679132 555536600 /nfs/dbraw/zinc/53/66/00/555536600.db2.gz LFKBFXQOPGRMRL-UHFFFAOYSA-N 0 0 447.685 3.475 50 0 IGAARN CCOC(=O)CN1c2ccccc2CC[C@H](Sc2n[nH]c(-c3ccccc3O)n2)C1=O ZINC000000684934 555539769 /nfs/dbraw/zinc/53/97/69/555539769.db2.gz CAIDZHSXEJEGPA-SFHVURJKSA-N 0 0 438.509 3.181 50 0 IGAARN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000692056 555541879 /nfs/dbraw/zinc/54/18/79/555541879.db2.gz RCKQOERDRFZSOS-IRXDYDNUSA-N 0 0 429.542 3.063 50 0 IGAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OCC ZINC000000691940 555541948 /nfs/dbraw/zinc/54/19/48/555541948.db2.gz QRZLLUZZHPQDIY-SFHVURJKSA-N 0 0 448.541 3.194 50 0 IGAARN COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000000694710 555542587 /nfs/dbraw/zinc/54/25/87/555542587.db2.gz DIVNJCISTBBBBN-UHFFFAOYSA-N 0 0 448.522 3.305 50 0 IGAARN COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000000708253 555545692 /nfs/dbraw/zinc/54/56/92/555545692.db2.gz MUTOTBHVGHRYMO-KWMZMRFFSA-N 0 0 438.483 3.406 50 0 IGAARN CCCC1=C(C(=O)OCC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OC(C)(C)C)=C(N)O1 ZINC000000759165 555554150 /nfs/dbraw/zinc/55/41/50/555554150.db2.gz MJBOZHIKDREMEW-QHCPKHFHSA-N 0 0 428.485 3.036 50 0 IGAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2OC)cc1 ZINC000000784220 555555829 /nfs/dbraw/zinc/55/58/29/555555829.db2.gz JILZBKXAQYGMPM-UHFFFAOYSA-N 0 0 432.542 3.302 50 0 IGAARN CCOC(=O)C1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000000784418 555556126 /nfs/dbraw/zinc/55/61/26/555556126.db2.gz WICBGYVPMICVSG-UHFFFAOYSA-N 0 0 444.553 3.068 50 0 IGAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 ZINC000000799047 555558691 /nfs/dbraw/zinc/55/86/91/555558691.db2.gz PYYUTPNVRJKPSI-CQSZACIVSA-N 0 0 430.526 3.172 50 0 IGAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(O)cc1 ZINC000000816155 555562908 /nfs/dbraw/zinc/56/29/08/555562908.db2.gz ACGZYGOJROGDBQ-UHFFFAOYSA-N 0 0 439.464 3.123 50 0 IGAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000000817106 555563138 /nfs/dbraw/zinc/56/31/38/555563138.db2.gz WJDIUYZKIZGPKC-LBPRGKRZSA-N 0 0 427.320 3.251 50 0 IGAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000000845652 555569330 /nfs/dbraw/zinc/56/93/30/555569330.db2.gz TZGBIYGYQMWPOB-HXUWFJFHSA-N 0 0 443.525 3.153 50 0 IGAARN O=C(COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000866189 555574092 /nfs/dbraw/zinc/57/40/92/555574092.db2.gz YBMKBQCARMLTNN-OAQYLSRUSA-N 0 0 429.428 3.026 50 0 IGAARN COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000869496 555574946 /nfs/dbraw/zinc/57/49/46/555574946.db2.gz RGNNNYAOEWEBQV-UHFFFAOYSA-N 0 0 441.509 3.241 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000000873264 555575927 /nfs/dbraw/zinc/57/59/27/555575927.db2.gz OYXWAOYMDAIYIT-UHFFFAOYSA-N 0 0 433.420 3.129 50 0 IGAARN COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000887003 555579291 /nfs/dbraw/zinc/57/92/91/555579291.db2.gz RMVRLZXTBOFUKS-UHFFFAOYSA-N 0 0 441.509 3.241 50 0 IGAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000000899819 555580862 /nfs/dbraw/zinc/58/08/62/555580862.db2.gz OEGCVOVRVQKRTR-UHFFFAOYSA-N 0 0 434.561 3.493 50 0 IGAARN COc1ccc(CCNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1OC ZINC000000908883 555582274 /nfs/dbraw/zinc/58/22/74/555582274.db2.gz UYLHEOOWSJMWNX-UHFFFAOYSA-N 0 0 447.582 3.080 50 0 IGAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O ZINC000000909919 555582578 /nfs/dbraw/zinc/58/25/78/555582578.db2.gz GKJSFLFYDFWLPZ-FQEVSTJZSA-N 0 0 427.457 3.075 50 0 IGAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(Cl)cc2)cc1 ZINC000000916219 555583457 /nfs/dbraw/zinc/58/34/57/555583457.db2.gz ZFNPSKOVFPXVAJ-UHFFFAOYSA-N 0 0 445.928 3.255 50 0 IGAARN Cc1ccc(CN(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000920757 555584351 /nfs/dbraw/zinc/58/43/51/555584351.db2.gz VDAHKONWHCYYRE-LJQANCHMSA-N 0 0 436.961 3.135 50 0 IGAARN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1O ZINC000000981656 555593724 /nfs/dbraw/zinc/59/37/24/555593724.db2.gz AZMPOZLIBVZMOR-LQGZHCLWSA-N 0 0 430.276 3.151 50 0 IGAARN CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000000984989 555594408 /nfs/dbraw/zinc/59/44/08/555594408.db2.gz GMUDQDFJIBFJAM-QGZVFWFLSA-N 0 0 447.878 3.292 50 0 IGAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000999314 555599882 /nfs/dbraw/zinc/59/98/82/555599882.db2.gz VMPZWHRGSFDJQV-UHFFFAOYSA-N 0 0 429.432 3.182 50 0 IGAARN COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(F)(F)F)s1 ZINC000001030986 555605622 /nfs/dbraw/zinc/60/56/22/555605622.db2.gz GVWMLNHXDQOGCQ-UHFFFAOYSA-N 0 0 435.445 3.241 50 0 IGAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C(F)(F)F)cn1 ZINC000001038404 555609134 /nfs/dbraw/zinc/60/91/34/555609134.db2.gz MZFKWZVWBIPUPM-UHFFFAOYSA-N 0 0 440.490 3.169 50 0 IGAARN COc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Br)c3)C2=O)cc1 ZINC000001051835 555613332 /nfs/dbraw/zinc/61/33/32/555613332.db2.gz LUQIGSBMKSXTKE-INIZCTEOSA-N 0 0 449.326 3.462 50 0 IGAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cc(C)cc(C)c1 ZINC000001066366 555618489 /nfs/dbraw/zinc/61/84/89/555618489.db2.gz LTEMSJPFYVHLDN-HXUWFJFHSA-N 0 0 446.569 3.111 50 0 IGAARN COc1ccccc1N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O ZINC000001072405 555621949 /nfs/dbraw/zinc/62/19/49/555621949.db2.gz WAYNXEFPPYYIKP-GFCCVEGCSA-N 0 0 436.249 3.291 50 0 IGAARN CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1OC ZINC000001113191 555632945 /nfs/dbraw/zinc/63/29/45/555632945.db2.gz NHWFPTNSMQJXGX-WQLSENKSSA-N 0 0 446.310 3.118 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)cc1 ZINC000001115000 555633645 /nfs/dbraw/zinc/63/36/45/555633645.db2.gz VRPRBSLSQIQDQB-OAHLLOKOSA-N 0 0 439.541 3.354 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1 ZINC000001114998 555633761 /nfs/dbraw/zinc/63/37/61/555633761.db2.gz VRPRBSLSQIQDQB-HNNXBMFYSA-N 0 0 439.541 3.354 50 0 IGAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1ccccc1F ZINC000001115426 555634238 /nfs/dbraw/zinc/63/42/38/555634238.db2.gz ACXQMGLHARMJAO-UHFFFAOYSA-N 0 0 447.513 3.222 50 0 IGAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(Cl)c3)n2C)c1 ZINC000001119634 555636714 /nfs/dbraw/zinc/63/67/14/555636714.db2.gz ALAHWNPIFNIEPR-UHFFFAOYSA-N 0 0 445.932 3.138 50 0 IGAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000001128360 555642851 /nfs/dbraw/zinc/64/28/51/555642851.db2.gz NUGSGYLTEWRFCE-INIZCTEOSA-N 0 0 427.295 3.380 50 0 IGAARN Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(OC(F)F)cc1 ZINC000009715957 555643672 /nfs/dbraw/zinc/64/36/72/555643672.db2.gz QYYLTMGSVMPKAB-UHFFFAOYSA-N 0 0 427.383 3.269 50 0 IGAARN COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccc(C)cc3)nn2c1=O ZINC000001134065 555646216 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50 0 IGAARN CCC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2)c2ccccc21 ZINC000001322611 555689968 /nfs/dbraw/zinc/68/99/68/555689968.db2.gz TXUYAXJBKWIFHD-GOSISDBHSA-N 0 0 427.460 3.028 50 0 IGAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)c1nccnc1N ZINC000010138301 555691580 /nfs/dbraw/zinc/69/15/80/555691580.db2.gz UWVUUYGQUHJRDP-UHFFFAOYSA-N 0 0 440.481 3.068 50 0 IGAARN Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CCCCC3)c(O)c2c1 ZINC000009490596 555695363 /nfs/dbraw/zinc/69/53/63/555695363.db2.gz UVTLWSIQDIXEIC-UHFFFAOYSA-N 0 0 439.537 3.288 50 0 IGAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)N2CC(C)C)cc1 ZINC000001443565 555698129 /nfs/dbraw/zinc/69/81/29/555698129.db2.gz HRMWTZWERYLIPN-IBGZPJMESA-N 0 0 441.459 3.434 50 0 IGAARN CCOc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000002142314 555748465 /nfs/dbraw/zinc/74/84/65/555748465.db2.gz RNWZMXALTKEFMU-UHFFFAOYSA-N 0 0 432.235 3.270 50 0 IGAARN COc1ccc(CCN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002229026 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0 0 445.932 3.384 50 0 IGAARN COc1ccccc1C(=O)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013807292 556311579 /nfs/dbraw/zinc/31/15/79/556311579.db2.gz YWRJWNUOKGBVHC-MRXNPFEDSA-N 0 0 438.343 3.287 50 0 IGAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21)Nc1cccc(Cl)c1 ZINC000009830934 556312029 /nfs/dbraw/zinc/31/20/29/556312029.db2.gz WVHOQEATGNTBCM-UHFFFAOYSA-N 0 0 438.846 3.038 50 0 IGAARN COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC ZINC000009830981 556312351 /nfs/dbraw/zinc/31/23/51/556312351.db2.gz GAMIOAMCVGDRNW-UHFFFAOYSA-N 0 0 435.455 3.006 50 0 IGAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000032745252 556315126 /nfs/dbraw/zinc/31/51/26/556315126.db2.gz RDBYUEFORAEABL-LJQANCHMSA-N 0 0 444.484 3.301 50 0 IGAARN Cn1nnnc1SCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000013839530 556317574 /nfs/dbraw/zinc/31/75/74/556317574.db2.gz KYOHUERLXPIHPQ-UHFFFAOYSA-N 0 0 426.546 3.096 50 0 IGAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)c(NC(=O)[C@H]2CCCO2)c1 ZINC000013843239 556318228 /nfs/dbraw/zinc/31/82/28/556318228.db2.gz GUWCMSUPURJSQL-NHCUHLMSSA-N 0 0 437.496 3.482 50 0 IGAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)COc2ccc3c(c2)OCO3)s1 ZINC000013844514 556318463 /nfs/dbraw/zinc/31/84/63/556318463.db2.gz GVOHFOIQILFWJO-UHFFFAOYSA-N 0 0 426.454 3.099 50 0 IGAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000013847230 556319081 /nfs/dbraw/zinc/31/90/81/556319081.db2.gz SPZIVWCIEKGRMJ-UHFFFAOYSA-N 0 0 437.237 3.271 50 0 IGAARN COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2nccn2C)cc1 ZINC000032760248 556320428 /nfs/dbraw/zinc/32/04/28/556320428.db2.gz XUWTWUZKFGTACU-PXNSSMCTSA-N 0 0 438.553 3.248 50 0 IGAARN C[C@H](C(=O)OCC(=O)C(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013856070 556320806 /nfs/dbraw/zinc/32/08/06/556320806.db2.gz KGTBBGPAVFFEMB-CNUPQAEOSA-N 0 0 445.515 3.426 50 0 IGAARN COc1cc(CC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(OC)c1OC ZINC000032753899 556323172 /nfs/dbraw/zinc/32/31/72/556323172.db2.gz VTNMSJKELIXDOL-UHFFFAOYSA-N 0 0 448.519 3.393 50 0 IGAARN NC(=O)c1c2c(sc1NC(=O)CSc1ncc(-c3ccccc3)nn1)CCCC2 ZINC000010060477 556324714 /nfs/dbraw/zinc/32/47/14/556324714.db2.gz COOBUGVUOYLCAB-UHFFFAOYSA-N 0 0 425.539 3.309 50 0 IGAARN CCN1C[C@@H](CN(C)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)Oc2ccccc21 ZINC000032778021 556331228 /nfs/dbraw/zinc/33/12/28/556331228.db2.gz JBIJSDVGVLEMBO-LJQANCHMSA-N 0 0 446.551 3.482 50 0 IGAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4OC)ccn3n2)cc1 ZINC000010433559 556334089 /nfs/dbraw/zinc/33/40/89/556334089.db2.gz YLBYOAHPBVFNJH-UHFFFAOYSA-N 0 0 438.871 3.472 50 0 IGAARN C[C@@H]1Oc2ccc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2NC1=O ZINC000032772829 556335481 /nfs/dbraw/zinc/33/54/81/556335481.db2.gz PFJGSDBKPVURSB-NSHDSACASA-N 0 0 438.509 3.154 50 0 IGAARN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000013936569 556336263 /nfs/dbraw/zinc/33/62/63/556336263.db2.gz LQEJZZTWOWMGCL-QPRVAFDKSA-N 0 0 449.642 3.399 50 0 IGAARN COc1cc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1OC ZINC000011166547 556339332 /nfs/dbraw/zinc/33/93/32/556339332.db2.gz YBKIMRLMFLYGOJ-UHFFFAOYSA-N 0 0 442.556 3.213 50 0 biogenic,in-vitro IGAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)N1 ZINC000013960027 556347032 /nfs/dbraw/zinc/34/70/32/556347032.db2.gz BZNYFMWPYLJOHB-ZDUSSCGKSA-N 0 0 445.186 3.320 50 0 IGAARN COC(=O)c1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)cc(C(=O)OC)c1 ZINC000013960106 556347122 /nfs/dbraw/zinc/34/71/22/556347122.db2.gz XUILPWMHTISICV-UHFFFAOYSA-N 0 0 444.447 3.461 50 0 IGAARN O=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N1CCCC[C@H]1CO ZINC000011784238 556352440 /nfs/dbraw/zinc/35/24/40/556352440.db2.gz XKNTXCXESCGMPV-HOFKKMOUSA-N 0 0 446.547 3.276 50 0 IGAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000013988315 556352535 /nfs/dbraw/zinc/35/25/35/556352535.db2.gz UYRMJOPKYBRCHU-KRWDZBQOSA-N 0 0 425.876 3.128 50 0 IGAARN COCc1c(C(=O)NCc2cc(C)no2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000011788702 556354525 /nfs/dbraw/zinc/35/45/25/556354525.db2.gz QKMGWYVYQGCQIV-UHFFFAOYSA-N 0 0 429.904 3.426 50 0 IGAARN COC(=O)c1cc(CNC(=O)Cc2cscn2)cc(NC(=O)c2ccccc2OC)c1 ZINC000011812849 556356484 /nfs/dbraw/zinc/35/64/84/556356484.db2.gz TWNHIAJAQCSQGW-UHFFFAOYSA-N 0 0 439.493 3.050 50 0 IGAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCC(=O)Nc3c(C)nn(C)c3C)cc12 ZINC000014023011 556357119 /nfs/dbraw/zinc/35/71/19/556357119.db2.gz LUGKXOSTYUNBCK-UHFFFAOYSA-N 0 0 440.504 3.253 50 0 IGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000014069997 556360354 /nfs/dbraw/zinc/36/03/54/556360354.db2.gz BVNLPKQCNJGVNT-UHFFFAOYSA-N 0 0 445.523 3.103 50 0 IGAARN CCOc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]23)cc1 ZINC000014075223 556361354 /nfs/dbraw/zinc/36/13/54/556361354.db2.gz SBZFDKSKWGYHGV-HSZRJFAPSA-N 0 0 443.569 3.053 50 0 IGAARN O=C(c1ccccc1SCc1ccccc1F)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014083354 556363182 /nfs/dbraw/zinc/36/31/82/556363182.db2.gz IZBAOGWHTRHJRM-GOSISDBHSA-N 0 0 448.585 3.063 50 0 IGAARN Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000032797296 556364051 /nfs/dbraw/zinc/36/40/51/556364051.db2.gz VIQIWDXNRMSLPN-ZDUSSCGKSA-N 0 0 429.995 3.419 50 0 IGAARN CCCCNS(=O)(=O)c1ccc2[nH]c(S[C@@H](C)C(=O)NCc3ccccc3)nc2c1 ZINC000014094741 556366497 /nfs/dbraw/zinc/36/64/97/556366497.db2.gz NMDGHDJRVVZEAH-HNNXBMFYSA-N 0 0 446.598 3.438 50 0 IGAARN O=C(c1cccc(N2CCOCC2)c1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000011844412 556367560 /nfs/dbraw/zinc/36/75/60/556367560.db2.gz ZJKXWWVFAQMISU-DEOSSOPVSA-N 0 0 430.495 3.259 50 0 IGAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nn3c(nnc(C(C)(C)C)c3=O)s2)c1C ZINC000014113028 556370193 /nfs/dbraw/zinc/37/01/93/556370193.db2.gz CEOHZGMHKVGJFU-LLVKDONJSA-N 0 0 433.559 3.355 50 0 IGAARN O=C(Cc1c(F)cccc1Cl)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 ZINC000011881188 556372767 /nfs/dbraw/zinc/37/27/67/556372767.db2.gz YFSFMZAAYKCYPZ-KRWDZBQOSA-N 0 0 445.922 3.387 50 0 IGAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000014129054 556374192 /nfs/dbraw/zinc/37/41/92/556374192.db2.gz NGCOWZQHTCRGMO-UHFFFAOYSA-N 0 0 445.585 3.284 50 0 IGAARN Cc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014134940 556374801 /nfs/dbraw/zinc/37/48/01/556374801.db2.gz TUKYZYPOSUTKSX-UHFFFAOYSA-N 0 0 437.780 3.195 50 0 IGAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4cccnc4)c3C)n2)c1 ZINC000011910253 556375038 /nfs/dbraw/zinc/37/50/38/556375038.db2.gz SEJGFRISAAHQCE-UHFFFAOYSA-N 0 0 444.495 3.022 50 0 IGAARN Cc1cccc(CN2CCN(C(=O)[C@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2=O)c1 ZINC000011932654 556376603 /nfs/dbraw/zinc/37/66/03/556376603.db2.gz FVDLEXVIAAWFLK-DEOSSOPVSA-N 0 0 447.579 3.037 50 0 IGAARN COCCn1c(CN(C)Cc2nc3c(cccc3C)[nH]2)cnc1S(=O)(=O)CC(C)(C)C ZINC000011936480 556378707 /nfs/dbraw/zinc/37/87/07/556378707.db2.gz XRYNHAWKONRKEL-UHFFFAOYSA-N 0 0 447.605 3.166 50 0 IGAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000011958042 556381163 /nfs/dbraw/zinc/38/11/63/556381163.db2.gz APILOFCZBILFKB-HXUWFJFHSA-N 0 0 435.586 3.006 50 0 IGAARN O=C(NC1CCCCCCC1)c1cn(C[C@@H]2CCCO2)cc(C(=O)N2CCCC2)c1=O ZINC000011968663 556382102 /nfs/dbraw/zinc/38/21/02/556382102.db2.gz QGPLIHLIVYFLRS-IBGZPJMESA-N 0 0 429.561 3.106 50 0 IGAARN Cc1ccccc1OCc1nc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1 ZINC000014182931 556383185 /nfs/dbraw/zinc/38/31/85/556383185.db2.gz LVLYEFIZHRTUJA-UHFFFAOYSA-N 0 0 425.514 3.231 50 0 IGAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1C ZINC000014184814 556384737 /nfs/dbraw/zinc/38/47/37/556384737.db2.gz WAZBAUAZIPCEMY-XMHCIUCPSA-N 0 0 433.455 3.240 50 0 IGAARN COc1ccccc1CCc1nnc(CCC(=O)NCCc2ccc(OC)c(OC)c2)o1 ZINC000012003154 556385901 /nfs/dbraw/zinc/38/59/01/556385901.db2.gz CVDMMIQOCHPRNO-UHFFFAOYSA-N 0 0 439.512 3.172 50 0 IGAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 ZINC000014199602 556390323 /nfs/dbraw/zinc/39/03/23/556390323.db2.gz OVVHZMXRWZKJJH-SQJMNOBHSA-N 0 0 434.467 3.255 50 0 IGAARN CN(Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnsn3)C2)cc1 ZINC000012041429 556391093 /nfs/dbraw/zinc/39/10/93/556391093.db2.gz UXEHPEJPNULTSU-QGZVFWFLSA-N 0 0 427.530 3.089 50 0 IGAARN O=C(COC(=O)CN1CCSC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014200520 556391143 /nfs/dbraw/zinc/39/11/43/556391143.db2.gz GXGSAKGIKXIPGN-UHFFFAOYSA-N 0 0 432.885 3.222 50 0 IGAARN O=C(OCC(F)(F)F)N1CCC(C(=O)N(Cc2ccccn2)[C@H]2CCSC2)CC1 ZINC000032817462 556393252 /nfs/dbraw/zinc/39/32/52/556393252.db2.gz CFAWMJHANYCFSD-INIZCTEOSA-N 0 0 431.480 3.327 50 0 IGAARN Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCC3 ZINC000014229158 556396301 /nfs/dbraw/zinc/39/63/01/556396301.db2.gz ZVLDRJYPFKTVSS-ZDUSSCGKSA-N 0 0 443.500 3.056 50 0 IGAARN COc1ccc(-c2nnc([C@H](C)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)o2)cc1 ZINC000032814620 556400336 /nfs/dbraw/zinc/40/03/36/556400336.db2.gz LDMCGXHXFLBHKB-ZDUSSCGKSA-N 0 0 432.502 3.177 50 0 IGAARN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OCC(N)=O ZINC000014241649 556402071 /nfs/dbraw/zinc/40/20/71/556402071.db2.gz ADXSGPMBBXQCDY-HNNXBMFYSA-N 0 0 441.509 3.155 50 0 IGAARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014242098 556402689 /nfs/dbraw/zinc/40/26/89/556402689.db2.gz DALQDKRJPWMMAS-OAHLLOKOSA-N 0 0 433.464 3.316 50 0 IGAARN Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(F)c(F)c3)CC2)c1C ZINC000022931459 556404506 /nfs/dbraw/zinc/40/45/06/556404506.db2.gz TXYRQGUAMRNOGQ-UHFFFAOYSA-N 0 0 430.499 3.167 50 0 IGAARN CNc1nc(-n2cnc(SCCOc3ccc(C)cc3)n2)nc(N2CCCCCC2)n1 ZINC000032598671 556408085 /nfs/dbraw/zinc/40/80/85/556408085.db2.gz DZRYTVQIAFGANH-UHFFFAOYSA-N 0 0 440.577 3.354 50 0 IGAARN CC(C)CSc1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000014249589 556408382 /nfs/dbraw/zinc/40/83/82/556408382.db2.gz OCTGSYZYSCHCNU-CQSZACIVSA-N 0 0 449.689 3.337 50 0 IGAARN NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000032614727 556408797 /nfs/dbraw/zinc/40/87/97/556408797.db2.gz IKDUIVAAGYJAOY-MRXNPFEDSA-N 0 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CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1 ZINC000013152889 556492939 /nfs/dbraw/zinc/49/29/39/556492939.db2.gz DBAUJIASBCDHJW-UHFFFAOYSA-N 0 0 442.006 3.002 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2c(C)noc2C(C)C)NC(=O)N[C@@H]1c1cccs1 ZINC000011061945 556493696 /nfs/dbraw/zinc/49/36/96/556493696.db2.gz TXFGQRIZOCWLTC-MRXNPFEDSA-N 0 0 433.486 3.196 50 0 IGAARN O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc2N1 ZINC000013163565 556493993 /nfs/dbraw/zinc/49/39/93/556493993.db2.gz JKIVPSHUEGJRNL-LJQANCHMSA-N 0 0 428.510 3.258 50 0 IGAARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013163884 556494794 /nfs/dbraw/zinc/49/47/94/556494794.db2.gz FFWGJJLSPQZIPF-UHFFFAOYSA-N 0 0 427.526 3.188 50 0 IGAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NC5CC5)C4)c3C2=O)c1 ZINC000015070195 556495260 /nfs/dbraw/zinc/49/52/60/556495260.db2.gz FVTDSFIJOPHQJR-GOSISDBHSA-N 0 0 447.535 3.029 50 0 IGAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)C1 ZINC000013164276 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C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cnc4ccccc4c3)c2)C[C@@H](C)O1 ZINC000032900698 556530062 /nfs/dbraw/zinc/53/00/62/556530062.db2.gz WNSKZWFNENETGE-HZPDHXFCSA-N 0 0 425.510 3.285 50 0 IGAARN CN1C(=O)C(=C2C[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc3N2)C(=O)N(C)C1=O ZINC000013592083 556530094 /nfs/dbraw/zinc/53/00/94/556530094.db2.gz AMYMHQLGIYORIV-SFHVURJKSA-N 0 0 437.477 3.369 50 0 IGAARN COc1ccc(OC)c(-c2noc(CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)c1 ZINC000013607469 556533338 /nfs/dbraw/zinc/53/33/38/556533338.db2.gz DFEGJXPOYHNYME-UHFFFAOYSA-N 0 0 437.905 3.369 50 0 IGAARN COc1ccc(-c2noc(CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)c(OC)c1 ZINC000013607615 556533614 /nfs/dbraw/zinc/53/36/14/556533614.db2.gz USVOFEYXOPUWHS-UHFFFAOYSA-N 0 0 437.905 3.369 50 0 IGAARN CC[C@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 ZINC000004571138 556534686 /nfs/dbraw/zinc/53/46/86/556534686.db2.gz KSYYYXGKDUEHSM-XMMPIXPASA-N 0 0 425.529 3.266 50 0 IGAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000013624131 556536480 /nfs/dbraw/zinc/53/64/80/556536480.db2.gz CBTUHSIYFNVOJE-NRFANRHFSA-N 0 0 438.505 3.418 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013629069 556538575 /nfs/dbraw/zinc/53/85/75/556538575.db2.gz XOADJVJHFSZDNM-MRXNPFEDSA-N 0 0 432.527 3.207 50 0 IGAARN COc1ccc(/C=C/C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000013630084 556539176 /nfs/dbraw/zinc/53/91/76/556539176.db2.gz BHRPOAZCWXZPLL-DHZHZOJOSA-N 0 0 433.486 3.312 50 0 IGAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)c1C ZINC000015638649 556539982 /nfs/dbraw/zinc/53/99/82/556539982.db2.gz JDJCUUDKVSVTNF-MOPGFXCFSA-N 0 0 435.524 3.204 50 0 IGAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)NC3CCCC3)cc1)c2=O ZINC000032959266 556545987 /nfs/dbraw/zinc/54/59/87/556545987.db2.gz MKJNJYGJODZLFR-UHFFFAOYSA-N 0 0 437.521 3.062 50 0 IGAARN CNC(=O)CS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000072302764 556547170 /nfs/dbraw/zinc/54/71/70/556547170.db2.gz YDHPEGMPZMFDGY-LBPRGKRZSA-N 0 0 443.352 3.346 50 0 IGAARN Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000072302799 556547197 /nfs/dbraw/zinc/54/71/97/556547197.db2.gz DZOCSVICLPHPIT-OAHLLOKOSA-N 0 0 428.489 3.368 50 0 IGAARN O=C(CSc1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015742866 556547870 /nfs/dbraw/zinc/54/78/70/556547870.db2.gz BJKYCWZGRRAWFB-UHFFFAOYSA-N 0 0 447.607 3.063 50 0 IGAARN COc1ccc(CCNC(=O)C2CCN(c3ncnc4oc(C)c(C)c43)CC2)cc1OC ZINC000032959794 556549868 /nfs/dbraw/zinc/54/98/68/556549868.db2.gz BBEHCQJJWGZWSE-UHFFFAOYSA-N 0 0 438.528 3.432 50 0 IGAARN NC(=O)CCc1nnc(SCc2nc3ccccc3n2C(F)F)n1Cc1ccco1 ZINC000032905075 556550147 /nfs/dbraw/zinc/55/01/47/556550147.db2.gz RBHPNEFLXRCOSD-UHFFFAOYSA-N 0 0 432.456 3.374 50 0 IGAARN CCc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015831144 556554718 /nfs/dbraw/zinc/55/47/18/556554718.db2.gz BDZDJXYTABGJOS-IBGZPJMESA-N 0 0 439.533 3.493 50 0 IGAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1C ZINC000015831318 556554914 /nfs/dbraw/zinc/55/49/14/556554914.db2.gz RFPINBPIUYXIBU-GOSISDBHSA-N 0 0 443.496 3.378 50 0 IGAARN CSCC[C@@H](CO)NC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 ZINC000013682730 556557735 /nfs/dbraw/zinc/55/77/35/556557735.db2.gz KIPVEASHXUXLDA-KRWDZBQOSA-N 0 0 449.475 3.347 50 0 IGAARN CCCCN1c2ccc(C(=O)Nc3ccccc3C(=O)OC)cc2S(=O)(=O)N=C1C ZINC000015867646 556559400 /nfs/dbraw/zinc/55/94/00/556559400.db2.gz DOLCJWXEBLTKGY-UHFFFAOYSA-N 0 0 429.498 3.453 50 0 IGAARN COc1ccccc1C(=O)Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1 ZINC000015869279 556559987 /nfs/dbraw/zinc/55/99/87/556559987.db2.gz FHPNOEIWPJYTES-UHFFFAOYSA-N 0 0 425.495 3.328 50 0 IGAARN COc1cccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)c1OC ZINC000033316042 556560609 /nfs/dbraw/zinc/56/06/09/556560609.db2.gz TXBDKYVNVRDWSB-XDHOZWIPSA-N 0 0 437.521 3.418 50 0 IGAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cc(C)cc(C)c3)[nH]c2=O)cc1 ZINC000015882068 556561357 /nfs/dbraw/zinc/56/13/57/556561357.db2.gz YEXMDACQYOVANZ-UHFFFAOYSA-N 0 0 434.525 3.472 50 0 IGAARN COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)N2CCOCC2)cc1 ZINC000015987998 556571380 /nfs/dbraw/zinc/57/13/80/556571380.db2.gz HCYWIJUDZXJYSP-XMHGGMMESA-N 0 0 445.313 3.087 50 0 IGAARN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)cn2)C[C@H](C)O1 ZINC000072309756 556573139 /nfs/dbraw/zinc/57/31/39/556573139.db2.gz DGBVPXUPRJDEHF-KHYOSLBOSA-N 0 0 433.578 3.489 50 0 IGAARN O=C1c2ccccc2C(=O)N1CN(Cc1cccs1)CN1C(=O)c2ccccc2C1=O ZINC000001158760 556574192 /nfs/dbraw/zinc/57/41/92/556574192.db2.gz UOLSQXMTZLOSCT-UHFFFAOYSA-N 0 0 431.473 3.058 50 0 IGAARN CCOC(=O)[C@@H]1CSCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000032909653 556576827 /nfs/dbraw/zinc/57/68/27/556576827.db2.gz XAOVUGKQVJSISO-INIZCTEOSA-N 0 0 438.347 3.064 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032910596 556577778 /nfs/dbraw/zinc/57/77/78/556577778.db2.gz SRTRAPWIHCKDIF-OAQYLSRUSA-N 0 0 425.510 3.225 50 0 IGAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc2nc(C)cc(C)n2n1 ZINC000016046132 556579901 /nfs/dbraw/zinc/57/99/01/556579901.db2.gz USSGLSVLDDELEQ-UHFFFAOYSA-N 0 0 435.531 3.031 50 0 IGAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O[C@H]2CCOC2=O)cc1OC ZINC000016050811 556581258 /nfs/dbraw/zinc/58/12/58/556581258.db2.gz GSTFKLAYBVTDJQ-BQYDLMEBSA-N 0 0 434.448 3.428 50 0 IGAARN CC(C)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034872864 556585059 /nfs/dbraw/zinc/58/50/59/556585059.db2.gz QEMTVUSDTGDDNK-UHFFFAOYSA-N 0 0 435.977 3.408 50 0 IGAARN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000016136240 556585086 /nfs/dbraw/zinc/58/50/86/556585086.db2.gz KFJRWYHETNLNAL-FQEVSTJZSA-N 0 0 433.508 3.464 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000016146618 556585503 /nfs/dbraw/zinc/58/55/03/556585503.db2.gz OVCHZYFJYVXYHA-UHFFFAOYSA-N 0 0 434.583 3.459 50 0 IGAARN Cc1cccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000016148097 556585582 /nfs/dbraw/zinc/58/55/82/556585582.db2.gz IWJNTYUYAQYWHQ-UHFFFAOYSA-N 0 0 428.510 3.218 50 0 IGAARN Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000032967436 556587726 /nfs/dbraw/zinc/58/77/26/556587726.db2.gz WVCLNWZRJJPAFS-OAHLLOKOSA-N 0 0 434.323 3.405 50 0 IGAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000032971791 556589821 /nfs/dbraw/zinc/58/98/21/556589821.db2.gz IHELWHOAVOTABO-UHFFFAOYSA-N 0 0 434.540 3.389 50 0 IGAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 ZINC000010611410 556590695 /nfs/dbraw/zinc/59/06/95/556590695.db2.gz YPAXLLLJIBOMTK-UNMCSNQZSA-N 0 0 436.487 3.283 50 0 IGAARN Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000036235505 556595038 /nfs/dbraw/zinc/59/50/38/556595038.db2.gz BAZHCNDYVBVBHO-UHFFFAOYSA-N 0 0 432.406 3.134 50 0 IGAARN COc1cc(C(=O)N2CCC(CC(=O)NCCc3cccs3)CC2)cc(OC)c1OC ZINC000032974315 556595565 /nfs/dbraw/zinc/59/55/65/556595565.db2.gz LVCRUBOTXZJULG-UHFFFAOYSA-N 0 0 446.569 3.375 50 0 IGAARN COc1c(C)cnc(Cn2cc(I)c3c2nc(N)nc3Cl)c1C ZINC000036377898 556597583 /nfs/dbraw/zinc/59/75/83/556597583.db2.gz CEZDADICECYSPS-UHFFFAOYSA-N 0 0 443.676 3.340 50 0 IGAARN CC(C)NC(=O)CN1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1 ZINC000036383448 556597890 /nfs/dbraw/zinc/59/78/90/556597890.db2.gz ZKVHIFHOZRHCDO-UHFFFAOYSA-N 0 0 448.567 3.286 50 0 IGAARN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016427722 556606813 /nfs/dbraw/zinc/60/68/13/556606813.db2.gz STAIRLIZLJJCSH-NRFANRHFSA-N 0 0 443.613 3.129 50 0 IGAARN CC1CCN(S(=O)(=O)N2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)CC1 ZINC000071890650 556608410 /nfs/dbraw/zinc/60/84/10/556608410.db2.gz CNWNJPDWNHHOFK-GOSISDBHSA-N 0 0 434.537 3.422 50 0 IGAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000016455673 556609736 /nfs/dbraw/zinc/60/97/36/556609736.db2.gz NJSCVDNOIDGVJT-YUNKPMOVSA-N 0 0 448.292 3.233 50 0 IGAARN O=C(CSc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1 ZINC000016475225 556610433 /nfs/dbraw/zinc/61/04/33/556610433.db2.gz PXLZISSOKUENLI-UHFFFAOYSA-N 0 0 436.541 3.051 50 0 IGAARN Cc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc5c(c4)OCCO5)cc3=O)s2)cc1 ZINC000032996049 556611192 /nfs/dbraw/zinc/61/11/92/556611192.db2.gz RFKGTWRBBUXXAM-UHFFFAOYSA-N 0 0 449.492 3.219 50 0 IGAARN CCC(CC)CN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000032915651 556613049 /nfs/dbraw/zinc/61/30/49/556613049.db2.gz PTTSCCIVTYGHQO-UHFFFAOYSA-N 0 0 438.590 3.221 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)c(C)c1 ZINC000016514504 556613195 /nfs/dbraw/zinc/61/31/95/556613195.db2.gz SGNBEWJKOOSQOX-UHFFFAOYSA-N 0 0 436.961 3.330 50 0 IGAARN CCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016523575 556613770 /nfs/dbraw/zinc/61/37/70/556613770.db2.gz NWFIJFBYTWFZOB-UHFFFAOYSA-N 0 0 447.340 3.270 50 0 IGAARN CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555630 556615371 /nfs/dbraw/zinc/61/53/71/556615371.db2.gz QIERLVAUIHRSEE-UHFFFAOYSA-N 0 0 426.325 3.136 50 0 IGAARN CC(=O)Cc1nsc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(C)C)n1 ZINC000016647823 556619989 /nfs/dbraw/zinc/61/99/89/556619989.db2.gz GMBAFXLUNKRIDS-UHFFFAOYSA-N 0 0 449.334 3.389 50 0 IGAARN CC(C)Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 ZINC000016664543 556621316 /nfs/dbraw/zinc/62/13/16/556621316.db2.gz UKCMKLORJVGIMA-UHFFFAOYSA-N 0 0 443.485 3.363 50 0 IGAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000016684621 556625188 /nfs/dbraw/zinc/62/51/88/556625188.db2.gz LQSNFQOSXWSSMZ-KCYKTTMJSA-N 0 0 437.544 3.186 50 0 IGAARN COc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1S(=O)(=O)N1CCOCC1 ZINC000016706811 556629782 /nfs/dbraw/zinc/62/97/82/556629782.db2.gz WPPOTCGPMOPWJJ-ZEDVSWOJSA-N 0 0 446.525 3.084 50 0 IGAARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000016700403 556629830 /nfs/dbraw/zinc/62/98/30/556629830.db2.gz KGFJSDLCACNZER-YWFITGJYSA-N 0 0 438.574 3.496 50 0 IGAARN COc1cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC ZINC000016731781 556631382 /nfs/dbraw/zinc/63/13/82/556631382.db2.gz OZUZYNVIICYXEJ-MHWRWJLKSA-N 0 0 429.885 3.045 50 0 IGAARN Cc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040391029 556637687 /nfs/dbraw/zinc/63/76/87/556637687.db2.gz FLAJICMTQJIYDG-UHFFFAOYSA-N 0 0 430.855 3.452 50 0 IGAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[C@@H]1CCCO1 ZINC000016752148 556637853 /nfs/dbraw/zinc/63/78/53/556637853.db2.gz LYJVEOZTXXIILY-MQNRADLISA-N 0 0 448.450 3.177 50 0 IGAARN COc1cc2cc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)[nH]c2cc1OC ZINC000409414520 556639700 /nfs/dbraw/zinc/63/97/00/556639700.db2.gz LMUGYXQLQBRRHR-UHFFFAOYSA-N 0 0 425.485 3.148 50 0 IGAARN CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000409414854 556641388 /nfs/dbraw/zinc/64/13/88/556641388.db2.gz PTIAWSZOHKROTB-IRLDBZIGSA-N 0 0 445.523 3.264 50 0 IGAARN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(OCc3ccncc3)c2)ccc1Cl ZINC000032921881 556643084 /nfs/dbraw/zinc/64/30/84/556643084.db2.gz 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O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1 ZINC000016995212 556652484 /nfs/dbraw/zinc/65/24/84/556652484.db2.gz MSEUVSJFMSCNHV-VAWYXSNFSA-N 0 0 440.550 3.477 50 0 IGAARN CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000032999419 556652944 /nfs/dbraw/zinc/65/29/44/556652944.db2.gz ZYKXOSDFUHIMEO-UHFFFAOYSA-N 0 0 431.489 3.244 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 ZINC000011758592 556653190 /nfs/dbraw/zinc/65/31/90/556653190.db2.gz IDPRJPMYGBAWOO-UHFFFAOYSA-N 0 0 433.497 3.208 50 0 IGAARN C[C@H](NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000011777883 556655023 /nfs/dbraw/zinc/65/50/23/556655023.db2.gz WADUNVCAENXSPF-HNNXBMFYSA-N 0 0 443.573 3.344 50 0 IGAARN O=c1n(Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)nc2ccccn21 ZINC000032926248 556655431 /nfs/dbraw/zinc/65/54/31/556655431.db2.gz AQWMPPQLXDXRFD-UHFFFAOYSA-N 0 0 448.426 3.364 50 0 IGAARN CCn1c(=O)c(N2CCC[C@@H](C(=O)NCc3ccc(SC)cc3)C2)nc2cccnc21 ZINC000033006362 556655580 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O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)N1CCNC1=O ZINC000024917516 557178722 /nfs/dbraw/zinc/17/87/22/557178722.db2.gz OHWWXLJIBQVKRI-UHFFFAOYSA-N 0 0 449.319 3.336 50 0 IGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000000783540 557180128 /nfs/dbraw/zinc/18/01/28/557180128.db2.gz SWTPNIUJQBLMNM-INIZCTEOSA-N 0 0 436.555 3.333 50 0 IGAARN Cc1ccccc1-n1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1cccnc1 ZINC000024964704 557183168 /nfs/dbraw/zinc/18/31/68/557183168.db2.gz VYQIMRDJYAQJAU-CQSZACIVSA-N 0 0 433.545 3.324 50 0 IGAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000011555652 557183671 /nfs/dbraw/zinc/18/36/71/557183671.db2.gz VLYDXWUBJJGXQA-UHFFFAOYSA-N 0 0 442.475 3.013 50 0 IGAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000024976168 557184566 /nfs/dbraw/zinc/18/45/66/557184566.db2.gz FGMQOZGUCWEXLP-UHFFFAOYSA-N 0 0 447.463 3.095 50 0 IGAARN CC(C)n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1 ZINC000009263997 557185430 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/nfs/dbraw/zinc/66/46/65/568664665.db2.gz LMJPBQIILSUGRH-KBPBESRZSA-N 0 0 431.493 3.413 50 0 IGAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cnc(C)cn2)cc1 ZINC000034746464 568738014 /nfs/dbraw/zinc/73/80/14/568738014.db2.gz VQDIQILONVVZFZ-QFIPXVFZSA-N 0 0 430.464 3.328 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2ccccc2oc1=O ZINC000034771759 568738273 /nfs/dbraw/zinc/73/82/73/568738273.db2.gz KVJKNDGSQDESNH-UHFFFAOYSA-N 0 0 442.493 3.229 50 0 IGAARN CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063376226 568739556 /nfs/dbraw/zinc/73/95/56/568739556.db2.gz DWVXOOBBWLALOE-SFTDATJTSA-N 0 0 432.973 3.478 50 0 IGAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006017147 568740288 /nfs/dbraw/zinc/74/02/88/568740288.db2.gz TUQWAUGBKFCIBJ-UHFFFAOYSA-N 0 0 444.419 3.188 50 0 IGAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003241532 568743483 /nfs/dbraw/zinc/74/34/83/568743483.db2.gz CMHHNZNZIGLKGM-UHFFFAOYSA-N 0 0 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IGAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000015784108 568826730 /nfs/dbraw/zinc/82/67/30/568826730.db2.gz NGOJSSMPOAMERV-UHFFFAOYSA-N 0 0 431.471 3.234 50 0 IGAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)Cc4ccco4)CC3)ccc21 ZINC000015784273 568826796 /nfs/dbraw/zinc/82/67/96/568826796.db2.gz MHYJWCVSUTXJBM-QGZVFWFLSA-N 0 0 443.569 3.402 50 0 IGAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000085642627 568828835 /nfs/dbraw/zinc/82/88/35/568828835.db2.gz UEVLYYOPQYBZPU-UHFFFAOYSA-N 0 0 444.601 3.292 50 0 IGAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(F)c5)c(=O)n4ccn3n2)cc1 ZINC000085643100 568829445 /nfs/dbraw/zinc/82/94/45/568829445.db2.gz MMDYSZDSBJDVGK-UHFFFAOYSA-N 0 0 430.443 3.205 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NC1CCCCCC1 ZINC000085648488 568830578 /nfs/dbraw/zinc/83/05/78/568830578.db2.gz FLUUUZPUOKTLKV-UHFFFAOYSA-N 0 0 435.594 3.081 50 0 IGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1 ZINC000085650060 568831259 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CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1S(=O)(=O)N(C)C ZINC000018088975 568894438 /nfs/dbraw/zinc/89/44/38/568894438.db2.gz NYMGNHZJBROGLI-XYOKQWHBSA-N 0 0 434.514 3.005 50 0 IGAARN C[C@@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012995728 568896782 /nfs/dbraw/zinc/89/67/82/568896782.db2.gz WONCFDOLZGAKOA-QGZVFWFLSA-N 0 0 449.532 3.123 50 0 IGAARN Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3cccs3)c3ccccc3)CC2)c1 ZINC000013002009 568898367 /nfs/dbraw/zinc/89/83/67/568898367.db2.gz JYEDSHPASVXSNA-NRFANRHFSA-N 0 0 443.594 3.393 50 0 IGAARN COc1cc([C@H](CC(=O)NCCCc2ccco2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729483 568903801 /nfs/dbraw/zinc/90/38/01/568903801.db2.gz VLXYXTLPYWQTJR-KRWDZBQOSA-N 0 0 427.453 3.232 50 0 IGAARN COCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000001784746 568907513 /nfs/dbraw/zinc/90/75/13/568907513.db2.gz YZIGKQWJGKDNKH-AWEZNQCLSA-N 0 0 429.498 3.078 50 0 IGAARN O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025577917 568909849 /nfs/dbraw/zinc/90/98/49/568909849.db2.gz HFDZPMWEYOOGJM-FCHUYYIVSA-N 0 0 435.501 3.356 50 0 IGAARN CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21 ZINC000245255296 568913682 /nfs/dbraw/zinc/91/36/82/568913682.db2.gz HEKGQDHENBWUHA-QJZMRSRYSA-N 0 0 448.544 3.385 50 0 IGAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]32)cc1 ZINC000245256752 568913946 /nfs/dbraw/zinc/91/39/46/568913946.db2.gz SGFCGXPPKHOTIJ-XBTHPWMNSA-N 0 0 430.460 3.072 50 0 IGAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 ZINC000245276855 568914279 /nfs/dbraw/zinc/91/42/79/568914279.db2.gz XWGPSZXPTCQYHK-VWKPWSFCSA-N 0 0 430.526 3.132 50 0 aggregator IGAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247857584 568918872 /nfs/dbraw/zinc/91/88/72/568918872.db2.gz DMLNYBOCYBNNON-OSJYTEGDSA-N 0 0 439.874 3.219 50 0 IGAARN CN1CC[C@@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375129 568922015 /nfs/dbraw/zinc/92/20/15/568922015.db2.gz BJRLCIXXQJXXFE-KNQAVFIVSA-N 0 0 425.916 3.164 50 0 IGAARN COc1ccc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c(OC)c1 ZINC000016635471 568926743 /nfs/dbraw/zinc/92/67/43/568926743.db2.gz ZZKHNPRAKVOHFC-UHFFFAOYSA-N 0 0 447.285 3.481 50 0 IGAARN O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000016640317 568927523 /nfs/dbraw/zinc/92/75/23/568927523.db2.gz IKUJBAXLWBRLRM-UHFFFAOYSA-N 0 0 444.572 3.464 50 0 IGAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc32)no1 ZINC000064450608 568928684 /nfs/dbraw/zinc/92/86/84/568928684.db2.gz VHXJEUMWXQRXNT-UHFFFAOYSA-N 0 0 442.497 3.228 50 0 IGAARN COCC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000016653556 568929586 /nfs/dbraw/zinc/92/95/86/568929586.db2.gz WSIRQMKRIDZRFX-UHFFFAOYSA-N 0 0 433.457 3.362 50 0 IGAARN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1ccc(Br)cc1)C2 ZINC000064566077 568932799 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IGAARN O=C1COc2ccc(S(=O)(=O)Nc3ccccc3)cc2N1Cc1noc(C2CCC2)n1 ZINC000064605737 568939707 /nfs/dbraw/zinc/93/97/07/568939707.db2.gz NPTYDYWZCCUZHX-UHFFFAOYSA-N 0 0 440.481 3.064 50 0 IGAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCOC)nn3c2NC(C)(C)C)cc1 ZINC000064703769 568944478 /nfs/dbraw/zinc/94/44/78/568944478.db2.gz WQWRNCPIQJZWBG-UHFFFAOYSA-N 0 0 444.605 3.429 50 0 IGAARN Cc1cccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@@H](C)C(C)C)c1 ZINC000036065599 568945285 /nfs/dbraw/zinc/94/52/85/568945285.db2.gz MAJYYHICNKEMEE-FQEVSTJZSA-N 0 0 428.577 3.092 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccc(F)cc3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085264 568947735 /nfs/dbraw/zinc/94/77/35/568947735.db2.gz JJDYLKJUIVEHCI-UHFFFAOYSA-N 0 0 448.429 3.281 50 0 IGAARN Cc1ccc(Cn2c(=O)c(C(=O)Nc3ccccc3)nn(-c3ccccc3F)c2=O)cc1 ZINC000036085227 568947811 /nfs/dbraw/zinc/94/78/11/568947811.db2.gz VANPQLHMBNEDHF-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)N(C)Cc3ccccc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086032 568948455 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3.101 50 0 IGAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)NCc1cccc(Br)c1 ZINC000064761560 568952474 /nfs/dbraw/zinc/95/24/74/568952474.db2.gz QXVVDMGQRHETAY-UHFFFAOYSA-N 0 0 443.349 3.286 50 0 IGAARN C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775948 568954946 /nfs/dbraw/zinc/95/49/46/568954946.db2.gz PEMQXQPMEDLODH-INIZCTEOSA-N 0 0 449.942 3.451 50 0 IGAARN CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776156 568955124 /nfs/dbraw/zinc/95/51/24/568955124.db2.gz BERKEASJAIZFPH-IBGZPJMESA-N 0 0 448.523 3.215 50 0 IGAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)N4CCN(c5ccccc5)CC4)n3)cc2c1 ZINC000064789968 568957193 /nfs/dbraw/zinc/95/71/93/568957193.db2.gz ZEZXYFPMTCPVEA-UHFFFAOYSA-N 0 0 443.507 3.168 50 0 IGAARN Cc1cc(NCC(=O)Nc2ccc(Br)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791089 568957333 /nfs/dbraw/zinc/95/73/33/568957333.db2.gz YKTAUOICKRHANI-UHFFFAOYSA-N 0 0 438.289 3.308 50 0 IGAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000064800559 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IGAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCS[C@@H]2c2ccccc2F)c1C ZINC000009313721 569522024 /nfs/dbraw/zinc/52/20/24/569522024.db2.gz UPFUMJPOMUBIIG-LJQANCHMSA-N 0 0 434.489 3.378 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009317945 569522392 /nfs/dbraw/zinc/52/23/92/569522392.db2.gz PPNVREMFXLGGSZ-FQEVSTJZSA-N 0 0 447.532 3.003 50 0 IGAARN CCOC(=O)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000009322139 569522658 /nfs/dbraw/zinc/52/26/58/569522658.db2.gz VMRYJZNTSPYMEQ-UHFFFAOYSA-N 0 0 447.557 3.253 50 0 IGAARN COc1cc(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)ccc1N1CCCC1=O ZINC000069899606 569522965 /nfs/dbraw/zinc/52/29/65/569522965.db2.gz XWMLLDZZJVMUCI-UHFFFAOYSA-N 0 0 436.512 3.380 50 0 IGAARN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069918021 569523766 /nfs/dbraw/zinc/52/37/66/569523766.db2.gz DOSJKCAYKNAMIC-UHFFFAOYSA-N 0 0 436.491 3.443 50 0 IGAARN COc1ccc(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009345017 569524082 /nfs/dbraw/zinc/52/40/82/569524082.db2.gz FGHRPTYBJFOIFV-QGZVFWFLSA-N 0 0 438.343 3.287 50 0 IGAARN O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000009348689 569524526 /nfs/dbraw/zinc/52/45/26/569524526.db2.gz NGDJTSLFNXGUGS-LVSMMTLPSA-N 0 0 430.913 3.096 50 0 IGAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 ZINC000009366512 569526253 /nfs/dbraw/zinc/52/62/53/569526253.db2.gz AQJFHFSOYCTPMP-UHFFFAOYSA-N 0 0 426.523 3.480 50 0 IGAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000009366610 569526259 /nfs/dbraw/zinc/52/62/59/569526259.db2.gz LAYPOHGRRNYOIQ-GOSISDBHSA-N 0 0 429.473 3.196 50 0 IGAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCNC(=O)c2ccccc2Cl)n1 ZINC000009375980 569527287 /nfs/dbraw/zinc/52/72/87/569527287.db2.gz RUHHRQNVFKUYOW-UHFFFAOYSA-N 0 0 440.891 3.023 50 0 IGAARN CS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC000009376904 569527389 /nfs/dbraw/zinc/52/73/89/569527389.db2.gz BEECVWSFKVWCDC-UHFFFAOYSA-N 0 0 442.566 3.338 50 0 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O=C(Cn1c2ccccc2nc1NCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009466423 569538171 /nfs/dbraw/zinc/53/81/71/569538171.db2.gz AJIYAIGZJLMNJF-UHFFFAOYSA-N 0 0 443.507 3.226 50 0 IGAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000009467140 569538308 /nfs/dbraw/zinc/53/83/08/569538308.db2.gz TZBZVXJNLAIZCY-GFCCVEGCSA-N 0 0 445.932 3.266 50 0 IGAARN COc1ccccc1C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009467010 569538312 /nfs/dbraw/zinc/53/83/12/569538312.db2.gz JJNNEMBGZXKPCL-NSHDSACASA-N 0 0 446.308 3.095 50 0 IGAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000009468284 569538626 /nfs/dbraw/zinc/53/86/26/569538626.db2.gz ZSURDBYDZBLXDM-UHFFFAOYSA-N 0 0 426.476 3.156 50 0 IGAARN Cc1ccc(NC(=O)Cc2nc(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)cs2)cc1 ZINC000009477723 569539211 /nfs/dbraw/zinc/53/92/11/569539211.db2.gz UBDLJKROJLFMFS-UHFFFAOYSA-N 0 0 448.504 3.124 50 0 IGAARN COc1cccc(N2C(=O)N[C@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)C2=O)c1 ZINC000009485685 569539620 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CCN(Cc1ccccc1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1)C(C)=O ZINC000328596577 569583891 /nfs/dbraw/zinc/58/38/91/569583891.db2.gz DIYLSJCTGMFWST-UHFFFAOYSA-N 0 0 445.932 3.737 50 0 IGAARN Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)cc2)c1 ZINC000408518879 569584505 /nfs/dbraw/zinc/58/45/05/569584505.db2.gz GYFYKBGVKFFHPH-UHFFFAOYSA-N 0 0 427.464 4.004 50 0 IGAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)sc2c1 ZINC000027912393 569584900 /nfs/dbraw/zinc/58/49/00/569584900.db2.gz JFMOEMSNEASYBT-NSHDSACASA-N 0 0 449.941 3.345 50 0 IGAARN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077100745 569585510 /nfs/dbraw/zinc/58/55/10/569585510.db2.gz KPUDUMRGRCNZDU-CABCVRRESA-N 0 0 438.527 3.373 50 0 IGAARN Cn1nc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n(-c2ccccc2)c1=O ZINC000077146572 569585641 /nfs/dbraw/zinc/58/56/41/569585641.db2.gz AYPPUCQHUNWFML-UHFFFAOYSA-N 0 0 446.429 3.489 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 ZINC000077154984 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Cc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 ZINC000013778748 556308216 /nfs/dbraw/zinc/30/82/16/556308216.db2.gz XALNILNTCXHATA-UHFFFAOYSA-N 0 0 445.928 3.470 50 0 IGAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1C ZINC000013800402 556310240 /nfs/dbraw/zinc/31/02/40/556310240.db2.gz AFHJFKNRSGQLFP-NDENLUEZSA-N 0 0 429.505 3.259 50 0 IGAARN Cc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)c1C ZINC000009830600 556311404 /nfs/dbraw/zinc/31/14/04/556311404.db2.gz NURBNAZXGWGGLH-UHFFFAOYSA-N 0 0 443.525 3.025 50 0 IGAARN CCCc1nc2oc3c(ncnc3N(C[C@@H](C)O)C[C@H](C)O)c2c2c1COC(C)(C)C2 ZINC000013811580 556312587 /nfs/dbraw/zinc/31/25/87/556312587.db2.gz QAANJKWTEVYJPY-OKILXGFUSA-N 0 0 428.533 3.143 50 0 IGAARN Cc1cc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000032752848 556313908 /nfs/dbraw/zinc/31/39/08/556313908.db2.gz OGSYKVHJDSPZMB-SFHVURJKSA-N 0 0 442.541 3.394 50 0 IGAARN O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000013818117 556314768 /nfs/dbraw/zinc/31/47/68/556314768.db2.gz OZRWDIUZWSTUSM-UHFFFAOYSA-N 0 0 432.455 3.076 50 0 IGAARN C[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)C1CC1 ZINC000032745340 556315094 /nfs/dbraw/zinc/31/50/94/556315094.db2.gz QBWKZSHOUVDYLH-CQSZACIVSA-N 0 0 446.642 3.409 50 0 IGAARN COc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2nccn2C)cc1 ZINC000032760244 556320505 /nfs/dbraw/zinc/32/05/05/556320505.db2.gz XUWTWUZKFGTACU-XLIONFOSSA-N 0 0 438.553 3.248 50 0 IGAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)c1 ZINC000013856834 556321427 /nfs/dbraw/zinc/32/14/27/556321427.db2.gz FZEKNXRZIFLQHZ-UHFFFAOYSA-N 0 0 435.263 3.391 50 0 IGAARN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)c(Cl)c1 ZINC000013858174 556322206 /nfs/dbraw/zinc/32/22/06/556322206.db2.gz KSHOTUVUPUGENH-UHFFFAOYSA-N 0 0 444.962 3.004 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000032755281 556324636 /nfs/dbraw/zinc/32/46/36/556324636.db2.gz PGIXAGKTYUXIOM-MRXNPFEDSA-N 0 0 449.598 3.270 50 0 IGAARN COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)s2)cc1 ZINC000010060219 556324735 /nfs/dbraw/zinc/32/47/35/556324735.db2.gz BFZXFPMQTWJWCY-HNNXBMFYSA-N 0 0 438.509 3.138 50 0 IGAARN CC(C)(C)[C@H](NC(=O)C1(NC=O)CCCC1)[C@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000013896035 556329268 /nfs/dbraw/zinc/32/92/68/556329268.db2.gz DRULLABBRXXWRQ-MSOLQXFVSA-N 0 0 433.940 3.099 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000032768140 556332900 /nfs/dbraw/zinc/33/29/00/556332900.db2.gz PRONRLJZVCPJHO-MRVPVSSYSA-N 0 0 425.816 3.269 50 0 IGAARN COc1cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc(OC)c1OC ZINC000032769614 556334132 /nfs/dbraw/zinc/33/41/32/556334132.db2.gz XUYATYBZEYSFAK-UHFFFAOYSA-N 0 0 440.418 3.277 50 0 IGAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011342809 556340637 /nfs/dbraw/zinc/34/06/37/556340637.db2.gz BKXYWUKJTMSJEH-HNNXBMFYSA-N 0 0 438.933 3.075 50 0 IGAARN COc1ccc(CCNS(=O)(=O)c2cc(Br)c(C)cc2OC)cc1OC ZINC000011613840 556342428 /nfs/dbraw/zinc/34/24/28/556342428.db2.gz XEEJHEIIXAQYEV-UHFFFAOYSA-N 0 0 444.347 3.304 50 0 IGAARN Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C)c(S(N)(=O)=O)c4)n3)cc2nn1C ZINC000011617039 556342717 /nfs/dbraw/zinc/34/27/17/556342717.db2.gz CUIHSIWYWATEQL-UHFFFAOYSA-N 0 0 437.529 3.139 50 0 fda IGAARN Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)s1 ZINC000032788183 556350378 /nfs/dbraw/zinc/35/03/78/556350378.db2.gz JWTGSPKZUZFKTR-FQEVSTJZSA-N 0 0 449.532 3.385 50 0 IGAARN O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032789108 556350702 /nfs/dbraw/zinc/35/07/02/556350702.db2.gz IXRYHSRUXBLVHZ-SUMWQHHRSA-N 0 0 432.402 3.294 50 0 IGAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)ccc2S1 ZINC000065077860 556350941 /nfs/dbraw/zinc/35/09/41/556350941.db2.gz YPFXPYCXMBFADN-HNNXBMFYSA-N 0 0 444.578 3.258 50 0 IGAARN COc1ccc(C)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000013992421 556353118 /nfs/dbraw/zinc/35/31/18/556353118.db2.gz LZDXZJJYMCSFPL-UHFFFAOYSA-N 0 0 443.503 3.362 50 0 IGAARN CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CC1 ZINC000011787763 556354114 /nfs/dbraw/zinc/35/41/14/556354114.db2.gz XZYIIKPDVOLHSJ-VWLOTQADSA-N 0 0 437.540 3.112 50 0 IGAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCc3cn[nH]c3)c21 ZINC000011789450 556354894 /nfs/dbraw/zinc/35/48/94/556354894.db2.gz QWOUPWJQRPGGAH-UHFFFAOYSA-N 0 0 446.511 3.386 50 0 IGAARN O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032795719 556358154 /nfs/dbraw/zinc/35/81/54/556358154.db2.gz NNVYWONRLVSHBU-UHFFFAOYSA-N 0 0 447.564 3.074 50 0 IGAARN COc1cccc(-c2nnn(CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)c1 ZINC000014067399 556359621 /nfs/dbraw/zinc/35/96/21/556359621.db2.gz FFBJBXFJZNGUIE-QGZVFWFLSA-N 0 0 434.481 3.381 50 0 IGAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000014070685 556360728 /nfs/dbraw/zinc/36/07/28/556360728.db2.gz RHLBGLLAHOSKPI-IBGZPJMESA-N 0 0 442.566 3.018 50 0 IGAARN COc1cc(N2C[C@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)cc(OC)c1OC ZINC000032796441 556361498 /nfs/dbraw/zinc/36/14/98/556361498.db2.gz OHMRFICDFDVNKL-GFCCVEGCSA-N 0 0 436.411 3.305 50 0 IGAARN O=C(CCn1c(CO)nc2ccccc21)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000011819398 556361573 /nfs/dbraw/zinc/36/15/73/556361573.db2.gz PTGYBHKEOCKVSB-IBGZPJMESA-N 0 0 426.948 3.353 50 0 IGAARN Cc1sc2nc(CS[C@@H](C)C(=O)N(CCO)Cc3ccccc3)[nH]c(=O)c2c1C ZINC000032802140 556365002 /nfs/dbraw/zinc/36/50/02/556365002.db2.gz YHJGMSFVBDBIPQ-HNNXBMFYSA-N 0 0 431.583 3.244 50 0 IGAARN O=C(CN1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1)Nc1cccc(F)c1 ZINC000014093978 556366138 /nfs/dbraw/zinc/36/61/38/556366138.db2.gz VNOJNDMOXGTDND-UHFFFAOYSA-N 0 0 437.471 3.394 50 0 IGAARN NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000014094982 556366893 /nfs/dbraw/zinc/36/68/93/556366893.db2.gz HZERWTBXAQONJD-HXUWFJFHSA-N 0 0 446.473 3.156 50 0 IGAARN O=C(CN1CCC(Nc2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1ccccc1 ZINC000014110778 556369476 /nfs/dbraw/zinc/36/94/76/556369476.db2.gz GOSOUHALFGNNGN-UHFFFAOYSA-N 0 0 437.931 3.401 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000014110968 556369743 /nfs/dbraw/zinc/36/97/43/556369743.db2.gz OWCIOQFUHWNWNT-SFHVURJKSA-N 0 0 442.468 3.083 50 0 IGAARN COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000014110938 556369840 /nfs/dbraw/zinc/36/98/40/556369840.db2.gz SRESHBZHPVNROO-UHFFFAOYSA-N 0 0 428.485 3.346 50 0 IGAARN O=C(CN1CCN(C(=O)CSc2cccc3cccc(Cl)c32)CC1)N1CCCC1 ZINC000014111664 556369853 /nfs/dbraw/zinc/36/98/53/556369853.db2.gz RGXHECWVXNJMRM-UHFFFAOYSA-N 0 0 431.989 3.352 50 0 IGAARN Cc1sc2ncnc(N[C@H](C)C(=O)NCc3ccccc3CN3CCOCC3)c2c1C ZINC000014115361 556370653 /nfs/dbraw/zinc/37/06/53/556370653.db2.gz IXOFMFKMGNMBOF-MRXNPFEDSA-N 0 0 439.585 3.257 50 0 IGAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000014124189 556372856 /nfs/dbraw/zinc/37/28/56/556372856.db2.gz DQFWSNPLWAVYFI-KRWDZBQOSA-N 0 0 446.954 3.082 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cncc(Br)c2)cc1 ZINC000014125063 556373145 /nfs/dbraw/zinc/37/31/45/556373145.db2.gz ZPFPKHGJRHUOGO-ZDUSSCGKSA-N 0 0 440.363 3.366 50 0 IGAARN Cc1c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000011902981 556373907 /nfs/dbraw/zinc/37/39/07/556373907.db2.gz YYIFHHFGTKGDFG-UHFFFAOYSA-N 0 0 447.520 3.378 50 0 IGAARN Cc1ccc2nc(C)cc(C(=O)N3CCC4(C[C@H]4C(=O)NCCCn4ccnc4)CC3)c2c1 ZINC000011910287 556374996 /nfs/dbraw/zinc/37/49/96/556374996.db2.gz BBTUCTHOWUTKIF-QFIPXVFZSA-N 0 0 445.567 3.497 50 0 IGAARN COc1cc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(OC)cc1Br ZINC000014139153 556376159 /nfs/dbraw/zinc/37/61/59/556376159.db2.gz LOQKVQMYGHSNAA-UHFFFAOYSA-N 0 0 441.285 3.410 50 0 IGAARN CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000014153560 556377456 /nfs/dbraw/zinc/37/74/56/556377456.db2.gz QKYFDMYHJPFAKB-UHFFFAOYSA-N 0 0 430.526 3.211 50 0 IGAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000014153881 556377500 /nfs/dbraw/zinc/37/75/00/556377500.db2.gz JJNLWKNWDITBES-UHFFFAOYSA-N 0 0 439.331 3.365 50 0 IGAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000014163892 556379033 /nfs/dbraw/zinc/37/90/33/556379033.db2.gz PGDUFLWTGXMJAB-RUZDIDTESA-N 0 0 448.523 3.343 50 0 IGAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCC(O)CC3)c2)C1 ZINC000014165952 556379330 /nfs/dbraw/zinc/37/93/30/556379330.db2.gz STOLCZVSOCRMOC-WXLSXGNJSA-N 0 0 428.982 3.040 50 0 IGAARN O=C(c1cc(C2CC2)nc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000014168018 556380070 /nfs/dbraw/zinc/38/00/70/556380070.db2.gz UBHNFACALDYFFP-UHFFFAOYSA-N 0 0 445.548 3.140 50 0 IGAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000014182963 556383201 /nfs/dbraw/zinc/38/32/01/556383201.db2.gz DPCJCKLOVZSJSY-INIZCTEOSA-N 0 0 441.517 3.379 50 0 IGAARN COC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000014184142 556384067 /nfs/dbraw/zinc/38/40/67/556384067.db2.gz WLTSWIVEOJERMW-UHFFFAOYSA-N 0 0 448.884 3.304 50 0 IGAARN O=S(=O)(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000011999524 556385339 /nfs/dbraw/zinc/38/53/39/556385339.db2.gz LJVVCVWVTQRXSR-MRXNPFEDSA-N 0 0 426.897 3.323 50 0 IGAARN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000014188516 556387040 /nfs/dbraw/zinc/38/70/40/556387040.db2.gz WCPSJKSBWQMWAG-LLVKDONJSA-N 0 0 429.325 3.004 50 0 IGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(Cl)cc1C(N)=O ZINC000014199105 556390281 /nfs/dbraw/zinc/39/02/81/556390281.db2.gz OYJDCDOQIDPZBS-UHFFFAOYSA-N 0 0 434.905 3.368 50 0 IGAARN NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000014199721 556390594 /nfs/dbraw/zinc/39/05/94/556390594.db2.gz OWDGBYQKNRXJNP-UHFFFAOYSA-N 0 0 439.781 3.056 50 0 IGAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000014237163 556399655 /nfs/dbraw/zinc/39/96/55/556399655.db2.gz QLWLIIGHBDCXIG-UHFFFAOYSA-N 0 0 426.460 3.469 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1 ZINC000014241831 556402403 /nfs/dbraw/zinc/40/24/03/556402403.db2.gz LLOSINACBIILIZ-SFHVURJKSA-N 0 0 445.463 3.173 50 0 IGAARN O=C(CCc1ccccc1)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012302480 556403317 /nfs/dbraw/zinc/40/33/17/556403317.db2.gz FDSSGBSFEMNLAD-HSZRJFAPSA-N 0 0 434.584 3.382 50 0 IGAARN NC(=O)CCN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000014244873 556404428 /nfs/dbraw/zinc/40/44/28/556404428.db2.gz HSAIUDSWTUJVEO-UHFFFAOYSA-N 0 0 444.466 3.106 50 0 IGAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014245521 556405160 /nfs/dbraw/zinc/40/51/60/556405160.db2.gz NCHKJJOZKDNVDC-QFIPXVFZSA-N 0 0 439.537 3.374 50 0 IGAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000014245694 556405590 /nfs/dbraw/zinc/40/55/90/556405590.db2.gz WTHMFPWRHUYNFZ-VWLOTQADSA-N 0 0 440.588 3.002 50 0 IGAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000032825971 556411187 /nfs/dbraw/zinc/41/11/87/556411187.db2.gz 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ZINC000032722351 556547730 /nfs/dbraw/zinc/54/77/30/556547730.db2.gz QGDLKOJZHIQHCV-MOPGFXCFSA-N 0 0 432.567 3.202 50 0 IGAARN CC(C)(C)OC(=O)N[C@H](CCCC1C(=O)OC(C)(C)OC1=O)C(=O)OCc1ccccc1 ZINC000015777651 556550496 /nfs/dbraw/zinc/55/04/96/556550496.db2.gz XJSJPXBZBYGMGI-QGZVFWFLSA-N 0 0 449.500 3.246 50 0 IGAARN Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000015778438 556550502 /nfs/dbraw/zinc/55/05/02/556550502.db2.gz USZGEITYLUXASI-UHFFFAOYSA-N 0 0 449.486 3.227 50 0 IGAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NCCc1ccccc1 ZINC000015779771 556551133 /nfs/dbraw/zinc/55/11/33/556551133.db2.gz XKQATMPXXMHPFP-UHFFFAOYSA-N 0 0 435.915 3.215 50 0 IGAARN CCn1c2c(nc(CCC(=O)NCc3ccccc3OC)c1=O)c(C)nn2-c1ccccc1 ZINC000015780049 556551455 /nfs/dbraw/zinc/55/14/55/556551455.db2.gz MVKJPXCPTBEEOT-UHFFFAOYSA-N 0 0 445.523 3.168 50 0 IGAARN Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000015835737 556555382 /nfs/dbraw/zinc/55/53/82/556555382.db2.gz 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O=C1CN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)CCN1CCO ZINC000072307591 556562868 /nfs/dbraw/zinc/56/28/68/556562868.db2.gz JLRLBVLCLKPPFA-UHFFFAOYSA-N 0 0 431.521 3.061 50 0 IGAARN CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000015919325 556563724 /nfs/dbraw/zinc/56/37/24/556563724.db2.gz LGUJWGCOWJSHHS-UHFFFAOYSA-N 0 0 445.560 3.209 50 0 IGAARN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000072307999 556563741 /nfs/dbraw/zinc/56/37/41/556563741.db2.gz MUKBDNPGCMKWND-OLRZCDJHSA-N 0 0 446.472 3.106 50 0 IGAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009721 556573683 /nfs/dbraw/zinc/57/36/83/556573683.db2.gz SVDRYXLXTHVTPS-DDOIHHOZSA-N 0 0 439.874 3.219 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000016045103 556579275 /nfs/dbraw/zinc/57/92/75/556579275.db2.gz FQFWMVJWYGWKPA-UHFFFAOYSA-N 0 0 441.443 3.439 50 0 IGAARN CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 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CC(C)Oc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000032987691 556608037 /nfs/dbraw/zinc/60/80/37/556608037.db2.gz ZSODUYLUQIYHSF-UHFFFAOYSA-N 0 0 440.525 3.411 50 0 IGAARN COc1ccc([C@H](NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c2nccn2C)cc1 ZINC000016472825 556609918 /nfs/dbraw/zinc/60/99/18/556609918.db2.gz GMVVHNTYKTUMCH-QFIPXVFZSA-N 0 0 439.512 3.293 50 0 IGAARN Cc1noc(C)c1COc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000022976071 556610769 /nfs/dbraw/zinc/61/07/69/556610769.db2.gz RACCQQLIWFRVMG-UHFFFAOYSA-N 0 0 425.460 3.478 50 0 IGAARN O=C(c1ccc(NCCN2CCN(c3ccccc3F)CC2)nn1)N1CCc2ccccc21 ZINC000032996650 556612372 /nfs/dbraw/zinc/61/23/72/556612372.db2.gz KNJNSVTVXYAJKG-UHFFFAOYSA-N 0 0 446.530 3.053 50 0 IGAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038528169 556613075 /nfs/dbraw/zinc/61/30/75/556613075.db2.gz AWSJBAFDQGHZMQ-UHFFFAOYSA-N 0 0 434.569 3.471 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528678 556613116 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CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCC3)C[C@@H](C)CC2 ZINC000011902962 556669828 /nfs/dbraw/zinc/66/98/28/556669828.db2.gz IZHZLUUBUQBFKV-NSHDSACASA-N 0 0 447.582 3.352 50 0 IGAARN COc1cccc(Nc2nc(N3CCN(c4ccccc4OC)CC3)nc3c2cnn3C)c1 ZINC000017148940 556670254 /nfs/dbraw/zinc/67/02/54/556670254.db2.gz SEZVSIGHPAOGRY-UHFFFAOYSA-N 0 0 445.527 3.451 50 0 IGAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000017299823 556674885 /nfs/dbraw/zinc/67/48/85/556674885.db2.gz DSZATTQVDAIPEX-LDADJPATSA-N 0 0 440.477 3.304 50 0 IGAARN COc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1S(=O)(=O)NC(C)C ZINC000011981181 556678077 /nfs/dbraw/zinc/67/80/77/556678077.db2.gz JRCWWZCZUSHMSW-UHFFFAOYSA-N 0 0 427.526 3.062 50 0 IGAARN CC(C)c1cc(C(=O)Nc2cccc(Br)c2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011997090 556679140 /nfs/dbraw/zinc/67/91/40/556679140.db2.gz IZLYKBFYTNBROH-CQSZACIVSA-N 0 0 426.336 3.381 50 0 IGAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325531 556679762 /nfs/dbraw/zinc/67/97/62/556679762.db2.gz HBEPAXFRPINHQH-GOSISDBHSA-N 0 0 427.501 3.287 50 0 IGAARN O=S(=O)(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000011999636 556679918 /nfs/dbraw/zinc/67/99/18/556679918.db2.gz BDTGEOMTRLACKV-KRWDZBQOSA-N 0 0 440.924 3.366 50 0 IGAARN COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)[C@H](Cc1ccc(OC)c(OC)c1)C(=O)OC ZINC000018086529 556683616 /nfs/dbraw/zinc/68/36/16/556683616.db2.gz GWYYDEZCJSNHBP-HDICACEKSA-N 0 0 446.496 3.085 50 0 IGAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3ncccn3)C[C@H]12 ZINC000248037768 556686506 /nfs/dbraw/zinc/68/65/06/556686506.db2.gz RPOYICAKRIRARM-JYFHCDHNSA-N 0 0 438.535 3.445 50 0 IGAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1[C@H](C)NC(=O)c1ccco1 ZINC000018201356 556686578 /nfs/dbraw/zinc/68/65/78/556686578.db2.gz SPMAQZPXGMMOOK-HNNXBMFYSA-N 0 0 439.541 3.059 50 0 IGAARN CCOc1ccccc1Nc1nc(N)nc(CN2CCN(/C=C/c3ccccc3)CC2)n1 ZINC000050063368 556708624 /nfs/dbraw/zinc/70/86/24/556708624.db2.gz GPGVFUZPRFFHTC-OUKQBFOZSA-N 0 0 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C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000033040223 556732094 /nfs/dbraw/zinc/73/20/94/556732094.db2.gz PUYLJRSARHHJSB-GOSISDBHSA-N 0 0 428.964 3.326 50 0 IGAARN CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000055054102 556733213 /nfs/dbraw/zinc/73/32/13/556733213.db2.gz HJBWGZLSBYKUSQ-OAQYLSRUSA-N 0 0 431.939 3.391 50 0 IGAARN COC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 ZINC000055342419 556740045 /nfs/dbraw/zinc/74/00/45/556740045.db2.gz LZDQJJUJZONHKI-UHFFFAOYSA-N 0 0 440.569 3.096 50 0 IGAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C(C)C)CC3)c2C2CC2)n1 ZINC000055326889 556740079 /nfs/dbraw/zinc/74/00/79/556740079.db2.gz SMZZVDGGQZTWDK-UHFFFAOYSA-N 0 0 446.555 3.382 50 0 IGAARN CCOc1ccc(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)cc1 ZINC000033045455 556742251 /nfs/dbraw/zinc/74/22/51/556742251.db2.gz SVKMCCIDCUULOB-UHFFFAOYSA-N 0 0 431.558 3.012 50 0 IGAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000019353270 556745048 /nfs/dbraw/zinc/74/50/48/556745048.db2.gz SBWLXMAWOXENLY-UHFFFAOYSA-N 0 0 445.468 3.288 50 0 IGAARN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1)c1cccc(OC)c1 ZINC000057994076 556751490 /nfs/dbraw/zinc/75/14/90/556751490.db2.gz MYKCPDUWLSKZJR-TZIWHRDSSA-N 0 0 438.524 3.421 50 0 IGAARN Cc1cc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000011157212 556752734 /nfs/dbraw/zinc/75/27/34/556752734.db2.gz FEXNLUBOOAIUKD-KRWDZBQOSA-N 0 0 437.359 3.390 50 0 IGAARN Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC000095232858 556753468 /nfs/dbraw/zinc/75/34/68/556753468.db2.gz VTZFHKYWPFWYSN-XMMPIXPASA-N 0 0 443.530 3.163 50 0 IGAARN CCOC(=O)c1ccc(N2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)nc1 ZINC000058062740 556756248 /nfs/dbraw/zinc/75/62/48/556756248.db2.gz PUUVUDZPOISZRQ-UHFFFAOYSA-N 0 0 425.316 3.256 50 0 IGAARN O=C(CCC(=O)N1CCOCC1)Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1 ZINC000058144023 556761372 /nfs/dbraw/zinc/76/13/72/556761372.db2.gz DWRQSSNVNLZDMP-UHFFFAOYSA-N 0 0 436.487 3.315 50 0 IGAARN COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3F)CC2)c2c(cccc2C)n1C ZINC000061947395 556762949 /nfs/dbraw/zinc/76/29/49/556762949.db2.gz YFAQQRGRMWZSNR-UHFFFAOYSA-N 0 0 438.503 3.173 50 0 IGAARN COc1cccc(-c2cn(CC(=O)NCc3cccc(Cl)c3)nc2N2CCOCC2)c1 ZINC000062006961 556765119 /nfs/dbraw/zinc/76/51/19/556765119.db2.gz IPGUKVHMHUVYFC-UHFFFAOYSA-N 0 0 440.931 3.365 50 0 IGAARN COc1ccc2nc(N3CC(C(=O)N4CCc5cc(OC)c(OC)cc5C4)C3)sc2c1 ZINC000062023118 556766585 /nfs/dbraw/zinc/76/65/85/556766585.db2.gz OOSGYDZYYOUFPS-UHFFFAOYSA-N 0 0 439.537 3.343 50 0 IGAARN C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1cn2cc(Br)ccc2n1 ZINC000058179573 556770044 /nfs/dbraw/zinc/77/00/44/556770044.db2.gz WWWCYPVEBVSLAF-JTQLQIEISA-N 0 0 427.324 3.453 50 0 IGAARN COC(=O)[C@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000058304970 556778550 /nfs/dbraw/zinc/77/85/50/556778550.db2.gz MNYUTEBTNGTTGX-INIZCTEOSA-N 0 0 426.698 3.282 50 0 IGAARN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 ZINC000058330326 556781210 /nfs/dbraw/zinc/78/12/10/556781210.db2.gz SZJYBNWAZAVVHP-FYYLOGMGSA-N 0 0 435.568 3.183 50 0 IGAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(SC3CCCC3)cc2)C[C@@H](C)O1 ZINC000058358156 556782986 /nfs/dbraw/zinc/78/29/86/556782986.db2.gz DFNYBWBQLPAQAL-HZPDHXFCSA-N 0 0 441.619 3.282 50 0 IGAARN Cc1cc(C(=O)COC(=O)c2cc3ccccc3cc2O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000010660071 556786119 /nfs/dbraw/zinc/78/61/19/556786119.db2.gz IFZQHSSUWWTDSG-GOSISDBHSA-N 0 0 441.505 3.363 50 0 IGAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000058439351 556788699 /nfs/dbraw/zinc/78/86/99/556788699.db2.gz ZOVBFZSXVDZZMH-MRXNPFEDSA-N 0 0 439.002 3.147 50 0 IGAARN COc1cc(NC(=O)NCc2cccc(C(=O)N3CCCC3)c2)ccc1N1CCCC1=O ZINC000058537258 556789941 /nfs/dbraw/zinc/78/99/41/556789941.db2.gz ZHCCAIINRQDIQZ-UHFFFAOYSA-N 0 0 436.512 3.380 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc12 ZINC000019552979 556796836 /nfs/dbraw/zinc/79/68/36/556796836.db2.gz APMMGUDZZQAART-UHFFFAOYSA-N 0 0 440.521 3.084 50 0 IGAARN Cc1nnnn1-c1ccc(C(=O)NCCn2ccc3cc(Br)ccc32)cc1 ZINC000072400348 556798777 /nfs/dbraw/zinc/79/87/77/556798777.db2.gz QLNUEVYYBWQQCO-UHFFFAOYSA-N 0 0 425.290 3.118 50 0 IGAARN CCCCOCCCNC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000005428224 556800326 /nfs/dbraw/zinc/80/03/26/556800326.db2.gz IUJUHAKVEIOAKA-NRFANRHFSA-N 0 0 429.561 3.259 50 0 IGAARN CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000060091625 556806412 /nfs/dbraw/zinc/80/64/12/556806412.db2.gz BSAYKBKHRHNCTA-MRXNPFEDSA-N 0 0 438.937 3.225 50 0 IGAARN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000060102608 556806605 /nfs/dbraw/zinc/80/66/05/556806605.db2.gz WDGBFZACZALHBQ-FQEVSTJZSA-N 0 0 432.542 3.197 50 0 IGAARN COCCN(CCOC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000003293305 556810699 /nfs/dbraw/zinc/81/06/99/556810699.db2.gz JTSDERDONCKRQW-UHFFFAOYSA-N 0 0 440.569 3.456 50 0 IGAARN CCOc1ccccc1C(=O)N1CCC[C@@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097943842 556814568 /nfs/dbraw/zinc/81/45/68/556814568.db2.gz RPSDIDYFURRNAG-QHCPKHFHSA-N 0 0 441.915 3.466 50 0 IGAARN COc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000097943827 556814615 /nfs/dbraw/zinc/81/46/15/556814615.db2.gz ULORCINQRSOVJG-HSZRJFAPSA-N 0 0 441.915 3.004 50 0 IGAARN C[C@@H]1CCc2nc3ncn(CC(=O)Nc4cccc(Br)c4)c(=O)c3cc2C1 ZINC000033059747 556816245 /nfs/dbraw/zinc/81/62/45/556816245.db2.gz XEIGILFTGSDXGM-GFCCVEGCSA-N 0 0 427.302 3.318 50 0 IGAARN COc1ccc(OC)c(CNC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000033061978 556817777 /nfs/dbraw/zinc/81/77/77/556817777.db2.gz YOZJHFBZGQAVRG-UHFFFAOYSA-N 0 0 444.488 3.196 50 0 IGAARN C[C@@H](CNC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)c1ccccc1 ZINC000033062974 556818535 /nfs/dbraw/zinc/81/85/35/556818535.db2.gz KCSUHOYJUZWMID-HNNXBMFYSA-N 0 0 431.489 3.035 50 0 IGAARN CS(=O)(=O)c1nc(-c2cc3c(c(S(C)(=O)=O)n2)CCCCC3)cc2c1CCCC2 ZINC000005582920 556827038 /nfs/dbraw/zinc/82/70/38/556827038.db2.gz UGDJADAZOSKABS-UHFFFAOYSA-N 0 0 434.583 3.098 50 0 IGAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000064817015 556827766 /nfs/dbraw/zinc/82/77/66/556827766.db2.gz CUYWCXBQEPIFFE-UHFFFAOYSA-N 0 0 425.558 3.230 50 0 IGAARN CCOc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3cccc(C)c3)nn2C)C1 ZINC000064892959 556828017 /nfs/dbraw/zinc/82/80/17/556828017.db2.gz HMGPWKIMIOUKMS-UHFFFAOYSA-N 0 0 432.524 3.256 50 0 IGAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccs4)cc32)cc1 ZINC000065002637 556830974 /nfs/dbraw/zinc/83/09/74/556830974.db2.gz FHHYNQMFWMNPHE-UHFFFAOYSA-N 0 0 428.535 3.438 50 0 IGAARN CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1)S(C)(=O)=O ZINC000065362545 556834288 /nfs/dbraw/zinc/83/42/88/556834288.db2.gz RQUVCBYKCDDQCD-UHFFFAOYSA-N 0 0 435.933 3.224 50 0 IGAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000065362784 556834583 /nfs/dbraw/zinc/83/45/83/556834583.db2.gz UHMWCBGLDZYRRO-SFHVURJKSA-N 0 0 448.527 3.069 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 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556993597 /nfs/dbraw/zinc/99/35/97/556993597.db2.gz IKSSVJPSFSLGFP-UHFFFAOYSA-N 0 0 437.588 3.193 50 0 IGAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC)n1 ZINC000020214757 556999271 /nfs/dbraw/zinc/99/92/71/556999271.db2.gz XWRWXURKFLOTIS-UHFFFAOYSA-N 0 0 449.533 3.397 50 0 IGAARN O=C(NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)C1=COCCO1 ZINC000097986093 556999981 /nfs/dbraw/zinc/99/99/81/556999981.db2.gz MCUCWOHBJLQGAU-MDWZMJQESA-N 0 0 429.281 3.034 50 0 IGAARN COc1ccccc1OCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)no1 ZINC000020256464 557003688 /nfs/dbraw/zinc/00/36/88/557003688.db2.gz KAAXMRYSLODFMV-UHFFFAOYSA-N 0 0 425.460 3.359 50 0 IGAARN COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCCN1CCOCC1 ZINC000020308291 557006588 /nfs/dbraw/zinc/00/65/88/557006588.db2.gz SHVMOMFPIHBBMN-QFIPXVFZSA-N 0 0 434.492 3.069 50 0 IGAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4cccc(Cl)c4)c3=O)c2cc1OC ZINC000023125778 557007423 /nfs/dbraw/zinc/00/74/23/557007423.db2.gz ZWPUDZZTLWZNCY-UHFFFAOYSA-N 0 0 440.887 3.255 50 0 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557025508 /nfs/dbraw/zinc/02/55/08/557025508.db2.gz LZAYRCLDSPMTMH-UHFFFAOYSA-N 0 0 445.523 3.420 50 0 IGAARN CC(C)=C1c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2NC1=O ZINC000046053857 557027031 /nfs/dbraw/zinc/02/70/31/557027031.db2.gz WXDIOFHORQAGBP-UHFFFAOYSA-N 0 0 438.509 3.031 50 0 IGAARN Cc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000010800567 557027606 /nfs/dbraw/zinc/02/76/06/557027606.db2.gz YOVXMNGNJTUOMT-GYVBGXKYSA-N 0 0 433.570 3.407 50 0 IGAARN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000072093121 557029548 /nfs/dbraw/zinc/02/95/48/557029548.db2.gz XEKPZZCESJQWQQ-ZDUSSCGKSA-N 0 0 429.464 3.216 50 0 IGAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000046075381 557032005 /nfs/dbraw/zinc/03/20/05/557032005.db2.gz MFNVYUGVLMCQSD-ZDUSSCGKSA-N 0 0 442.447 3.405 50 0 IGAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2-c1ccccc1 ZINC000046077255 557033061 /nfs/dbraw/zinc/03/30/61/557033061.db2.gz 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COc1ccc(C(=O)c2sc(Nc3ccc4c(c3)OCCO4)nc2N)c(OC)c1OC ZINC000032948064 557045187 /nfs/dbraw/zinc/04/51/87/557045187.db2.gz FGOATMNAFFGTIT-UHFFFAOYSA-N 0 0 443.481 3.497 50 0 IGAARN O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1 ZINC000205300675 557045761 /nfs/dbraw/zinc/04/57/61/557045761.db2.gz PZHNKPBYOPQTRG-OAHLLOKOSA-N 0 0 439.951 3.184 50 0 IGAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000017291218 557046051 /nfs/dbraw/zinc/04/60/51/557046051.db2.gz NAEXROQWRLQPJW-CQSZACIVSA-N 0 0 432.571 3.178 50 0 IGAARN Cc1nc(SCc2noc(CCC(=O)Nc3ccc(Br)c(C)c3)n2)n[nH]1 ZINC000033270785 557047754 /nfs/dbraw/zinc/04/77/54/557047754.db2.gz YEODCYDESLHRPE-UHFFFAOYSA-N 0 0 437.323 3.431 50 0 IGAARN O=C(CCc1nc(CSc2n[nH]c(-c3cccc(F)c3)n2)no1)Nc1nccs1 ZINC000033270947 557048028 /nfs/dbraw/zinc/04/80/28/557048028.db2.gz SQWAHMLGDVULLM-UHFFFAOYSA-N 0 0 431.478 3.314 50 0 IGAARN Cc1cc(CN2CCN(CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)no1 ZINC000022929736 557049461 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CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccc(C)cc4)o3)CC2=O)cc1 ZINC000033291030 557069200 /nfs/dbraw/zinc/06/92/00/557069200.db2.gz ZTQOZXDPEIEDPN-INIZCTEOSA-N 0 0 436.468 3.315 50 0 IGAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccnc3-n3cccn3)[nH]c(=O)c2c1C ZINC000023171379 557070442 /nfs/dbraw/zinc/07/04/42/557070442.db2.gz KDJVWKKHFAYJGR-ZDUSSCGKSA-N 0 0 440.554 3.443 50 0 IGAARN COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1OC ZINC000033296749 557072570 /nfs/dbraw/zinc/07/25/70/557072570.db2.gz YSCYRESISOJROW-UHFFFAOYSA-N 0 0 436.468 3.375 50 0 IGAARN Cc1ccc(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1 ZINC000033298319 557074166 /nfs/dbraw/zinc/07/41/66/557074166.db2.gz GVAKXKLYBZBNOK-UHFFFAOYSA-N 0 0 443.506 3.077 50 0 IGAARN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N(C)Cc1c(C)noc1C ZINC000048375136 557076369 /nfs/dbraw/zinc/07/63/69/557076369.db2.gz GXTWFWWMTXTOTF-HXUWFJFHSA-N 0 0 426.542 3.350 50 0 IGAARN COc1cccc(CN2CCN(C(=O)[C@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2)c1 ZINC000023250857 557078700 /nfs/dbraw/zinc/07/87/00/557078700.db2.gz OCHZCAQFEDRLHF-DEOSSOPVSA-N 0 0 449.595 3.211 50 0 IGAARN Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)NCc3ccccc3)c2n1 ZINC000049002145 557080731 /nfs/dbraw/zinc/08/07/31/557080731.db2.gz GXKRWRBADXVNPD-UHFFFAOYSA-N 0 0 444.466 3.413 50 0 IGAARN COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC3 ZINC000048987812 557082868 /nfs/dbraw/zinc/08/28/68/557082868.db2.gz SDZPWUWGTYOHGG-UHFFFAOYSA-N 0 0 427.888 3.196 50 0 IGAARN Cc1ccc(NC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc1Cl ZINC000033300867 557083002 /nfs/dbraw/zinc/08/30/02/557083002.db2.gz XWBGZGCWKUOKEB-UHFFFAOYSA-N 0 0 433.950 3.493 50 0 IGAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCC(C)C)C2)c1 ZINC000033302611 557083645 /nfs/dbraw/zinc/08/36/45/557083645.db2.gz RMWASHJPGIXNJA-INIZCTEOSA-N 0 0 440.569 3.444 50 0 IGAARN COc1ccccc1CNC(=O)Cn1c2cc(-c3noc(C)n3)ccc2n(C(C)C)c1=O ZINC000033306833 557084698 /nfs/dbraw/zinc/08/46/98/557084698.db2.gz SFQDIVAIIDLXPN-UHFFFAOYSA-N 0 0 435.484 3.067 50 0 IGAARN CC1CCC(NC(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000049006596 557085044 /nfs/dbraw/zinc/08/50/44/557085044.db2.gz BCNGUSGESFHKMN-UHFFFAOYSA-N 0 0 448.633 3.168 50 0 IGAARN Cc1c(NC(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000049025903 557088014 /nfs/dbraw/zinc/08/80/14/557088014.db2.gz OVFRPOIGFJSKJP-MRXNPFEDSA-N 0 0 447.470 3.047 50 0 IGAARN CCOc1cccc(CNC(=O)CCn2c(=O)c3sccc3nc2N2CCCC2)c1 ZINC000033308861 557089775 /nfs/dbraw/zinc/08/97/75/557089775.db2.gz VSHOTQRGPNDHPW-UHFFFAOYSA-N 0 0 426.542 3.163 50 0 IGAARN COC(=O)C[C@H](NC(=O)CCn1cnc2sc(C)c(C)c2c1=O)c1ccc(C)cc1 ZINC000023450029 557092885 /nfs/dbraw/zinc/09/28/85/557092885.db2.gz JQZVSCFNYQLUKT-KRWDZBQOSA-N 0 0 427.526 3.194 50 0 IGAARN CCOc1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2cccc(F)c2)cc1OCC ZINC000017522016 557092996 /nfs/dbraw/zinc/09/29/96/557092996.db2.gz FCXAZASRGPKOPX-FQEVSTJZSA-N 0 0 433.505 3.425 50 0 IGAARN Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000017521458 557093027 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Cc1ccccc1-n1ccnc1SCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023873053 557121545 /nfs/dbraw/zinc/12/15/45/557121545.db2.gz NERUCGDFUZSFGO-OAQYLSRUSA-N 0 0 436.581 3.290 50 0 IGAARN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(I)c2c1ncnc2N ZINC000148944021 557122362 /nfs/dbraw/zinc/12/23/62/557122362.db2.gz OWIFKPIPYPOLEM-SNVBAGLBSA-N 0 0 443.289 3.018 50 0 IGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1 ZINC000023881908 557122613 /nfs/dbraw/zinc/12/26/13/557122613.db2.gz PXZLZAXTOUHOGK-QHCPKHFHSA-N 0 0 433.577 3.434 50 0 IGAARN Cc1cc(CSc2ncccc2C(=O)NCc2ccccc2CN2CCOCC2)no1 ZINC000023883522 557123916 /nfs/dbraw/zinc/12/39/16/557123916.db2.gz SDLVLFDPGIUMCG-UHFFFAOYSA-N 0 0 438.553 3.433 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000004791416 557125103 /nfs/dbraw/zinc/12/51/03/557125103.db2.gz YVIJQKBSBIHRCC-UHFFFAOYSA-N 0 0 449.894 3.330 50 0 IGAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000004791441 557125202 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COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1Cl ZINC000169779826 557212353 /nfs/dbraw/zinc/21/23/53/557212353.db2.gz RVXYYLURRGZNQH-UHFFFAOYSA-N 0 0 440.931 3.480 50 0 IGAARN COc1ccc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cnc2c1 ZINC000072247508 557213731 /nfs/dbraw/zinc/21/37/31/557213731.db2.gz PWJDGMINZWWUAB-QGZVFWFLSA-N 0 0 425.510 3.283 50 0 IGAARN Cc1cc(C)nc(SC2=C(NCc3cccnc3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000025571337 557215059 /nfs/dbraw/zinc/21/50/59/557215059.db2.gz BHVQLYYDSTUOPV-UHFFFAOYSA-N 0 0 431.521 3.151 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)cc1 ZINC000000799995 557216086 /nfs/dbraw/zinc/21/60/86/557216086.db2.gz QNBKMFQTIMMGNQ-KRWDZBQOSA-N 0 0 436.961 3.108 50 0 IGAARN O=C(Nc1ccccc1O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000025616694 557219672 /nfs/dbraw/zinc/21/96/72/557219672.db2.gz OVHXPDUOPWMEHF-UHFFFAOYSA-N 0 0 444.431 3.330 50 0 IGAARN CC1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000000802844 557220815 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COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000032950471 557236829 /nfs/dbraw/zinc/23/68/29/557236829.db2.gz CTIGBMGBOFJENW-UHFFFAOYSA-N 0 0 426.951 3.318 50 0 IGAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCSCc1ccc(Br)s1 ZINC000018108742 557237292 /nfs/dbraw/zinc/23/72/92/557237292.db2.gz CTPOBOJNHIRESA-UHFFFAOYSA-N 0 0 439.356 3.156 50 0 IGAARN Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(C[C@@H]4CCCO4)CC3)nc12 ZINC000069950643 557237785 /nfs/dbraw/zinc/23/77/85/557237785.db2.gz AXTKKMLRDMKQNP-NRFANRHFSA-N 0 0 434.540 3.159 50 0 IGAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)OCc1ccc(F)cc1Br ZINC000011005228 557239397 /nfs/dbraw/zinc/23/93/97/557239397.db2.gz IAFTZYNWALKHAB-UHFFFAOYSA-N 0 0 449.276 3.188 50 0 IGAARN CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2C1=O ZINC000018157864 557244463 /nfs/dbraw/zinc/24/44/63/557244463.db2.gz JTMOCVNHIZFGLA-MRXNPFEDSA-N 0 0 431.496 3.400 50 0 IGAARN NC(=O)N[C@H](CC(=O)NCCc1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000026564947 557244895 /nfs/dbraw/zinc/24/48/95/557244895.db2.gz XKZNOKZSQJBUJB-GOSISDBHSA-N 0 0 429.318 3.389 50 0 IGAARN COc1cc([C@@H]2c3cn(C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc2c1OCO2 ZINC000604405057 557248399 /nfs/dbraw/zinc/24/83/99/557248399.db2.gz PEKWTLZMBATKRG-HXUWFJFHSA-N 0 0 431.448 3.116 50 0 IGAARN CC(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000604418541 557250243 /nfs/dbraw/zinc/25/02/43/557250243.db2.gz OTYIKVMNNMDJOM-JXFKEZNVSA-N 0 0 447.539 3.400 50 0 IGAARN CC(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)s1 ZINC000604418647 557250831 /nfs/dbraw/zinc/25/08/31/557250831.db2.gz UAISMPVDVJGAGH-IBGZPJMESA-N 0 0 433.493 3.415 50 0 IGAARN CC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000018203786 557251500 /nfs/dbraw/zinc/25/15/00/557251500.db2.gz AFWBWXQHEHEVKX-DOTOQJQBSA-N 0 0 446.688 3.426 50 0 IGAARN CC(C)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)s1 ZINC000604419800 557251849 /nfs/dbraw/zinc/25/18/49/557251849.db2.gz 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O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(I)c1 ZINC000012994747 557263447 /nfs/dbraw/zinc/26/34/47/557263447.db2.gz JQGWRZFDVKNRCO-UHFFFAOYSA-N 0 0 436.293 3.053 50 0 IGAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCC2 ZINC000027664604 557270587 /nfs/dbraw/zinc/27/05/87/557270587.db2.gz SBRNYSFOILMWTD-CYBMUJFWSA-N 0 0 438.958 3.059 50 0 IGAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000100813632 557276442 /nfs/dbraw/zinc/27/64/42/557276442.db2.gz FYBURPFRPOJVPT-QYZOEREBSA-N 0 0 426.314 3.293 50 0 IGAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nnc(-c4ccccc4O)o3)C2=O)cc1 ZINC000100896827 557278141 /nfs/dbraw/zinc/27/81/41/557278141.db2.gz DOIQLQNYNDXUAT-MRXNPFEDSA-N 0 0 439.449 3.043 50 0 IGAARN COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c(OC)c1 ZINC000101128584 557283445 /nfs/dbraw/zinc/28/34/45/557283445.db2.gz UTHAINCDNFRKQU-HJOGWXRNSA-N 0 0 449.551 3.452 50 0 IGAARN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C)c1 ZINC000101545658 557290987 /nfs/dbraw/zinc/29/09/87/557290987.db2.gz LCMJWXXEEMUGQV-NSHGMRRFSA-N 0 0 426.513 3.151 50 0 aggregator IGAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CNc2c(=O)c(=O)c2N2CCCCC2)cc1 ZINC000101597195 557291384 /nfs/dbraw/zinc/29/13/84/557291384.db2.gz HKUGRBGJDUMXNX-UHFFFAOYSA-N 0 0 437.927 3.468 50 0 IGAARN COc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[nH]c2n1 ZINC000101796497 557298605 /nfs/dbraw/zinc/29/86/05/557298605.db2.gz FOGPBAZISLRCIC-UHFFFAOYSA-N 0 0 428.855 3.443 50 0 IGAARN COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccn5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828334 557299687 /nfs/dbraw/zinc/29/96/87/557299687.db2.gz OBAXHDHAPSNKGP-UHFFFAOYSA-N 0 0 425.448 3.152 50 0 IGAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4ccccc4F)c3=O)[nH]2)cc1 ZINC000101834879 557301643 /nfs/dbraw/zinc/30/16/43/557301643.db2.gz BOXJFVMAJHZDCA-UHFFFAOYSA-N 0 0 434.475 3.357 50 0 IGAARN O=C(CN[C@@H](c1cc2ccccc2o1)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000084522842 557309480 /nfs/dbraw/zinc/30/94/80/557309480.db2.gz 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Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3ccccc3F)ncc1S(=O)(=O)N2C ZINC000033039678 557322798 /nfs/dbraw/zinc/32/27/98/557322798.db2.gz CGHMIDSOPADLDT-UHFFFAOYSA-N 0 0 444.513 3.460 50 0 IGAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)N2CCCCC2)cc1 ZINC000033047819 557322859 /nfs/dbraw/zinc/32/28/59/557322859.db2.gz DRFHKTPQEBFJAF-NRFANRHFSA-N 0 0 446.569 3.362 50 0 IGAARN CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000102467914 557323580 /nfs/dbraw/zinc/32/35/80/557323580.db2.gz JUWBESLKQZGKPE-IMBTUZDBSA-N 0 0 431.602 3.479 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000033254629 557326294 /nfs/dbraw/zinc/32/62/94/557326294.db2.gz ROMBQQSUIFOBEV-UHFFFAOYSA-N 0 0 447.601 3.443 50 0 IGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccnc1OCC(F)(F)F ZINC000024536954 557327020 /nfs/dbraw/zinc/32/70/20/557327020.db2.gz JSTNHTZVALWSSM-UHFFFAOYSA-N 0 0 443.447 3.450 50 0 IGAARN COc1ccc(-c2nc3s/c(=C\c4cc(Br)ccc4OC)c(=O)n3n2)cc1 ZINC000033162049 557327892 /nfs/dbraw/zinc/32/78/92/557327892.db2.gz GRLFDRCUUGPAOM-YBEGLDIGSA-N 0 0 444.310 3.145 50 0 IGAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1)c1ccccc1F ZINC000023329267 557339130 /nfs/dbraw/zinc/33/91/30/557339130.db2.gz JXLXCNLKQXAXDN-UHFFFAOYSA-N 0 0 439.878 3.484 50 0 IGAARN O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000033414815 557339948 /nfs/dbraw/zinc/33/99/48/557339948.db2.gz RUVHGFDXEMRWLP-UHFFFAOYSA-N 0 0 442.468 3.100 50 0 IGAARN CN(C)c1ccc(C(=O)N2CCN(c3ncccc3C(=O)NCc3cccs3)CC2)cc1 ZINC000023335270 557350299 /nfs/dbraw/zinc/35/02/99/557350299.db2.gz WRIIZDOXJZELLG-UHFFFAOYSA-N 0 0 449.580 3.102 50 0 IGAARN Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(C)sc3C)CC2)c(C)s1 ZINC000023437365 557354660 /nfs/dbraw/zinc/35/46/60/557354660.db2.gz UDYRHTHMFRXNPJ-UHFFFAOYSA-N 0 0 448.657 3.129 50 0 IGAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000102610128 557360866 /nfs/dbraw/zinc/36/08/66/557360866.db2.gz BUPDICNFGBJIEG-HZPDHXFCSA-N 0 0 425.510 3.249 50 0 IGAARN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1=O ZINC000014680705 557367211 /nfs/dbraw/zinc/36/72/11/557367211.db2.gz KSYQFDXYYOKPOT-ZDUSSCGKSA-N 0 0 445.401 3.429 50 0 IGAARN CCOc1ccccc1C(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000011689615 557367893 /nfs/dbraw/zinc/36/78/93/557367893.db2.gz NFGPPMVDVGQVCM-UHFFFAOYSA-N 0 0 444.509 3.051 50 0 IGAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220837436 557368122 /nfs/dbraw/zinc/36/81/22/557368122.db2.gz RUJLLTXHDLJDFL-OAHLLOKOSA-N 0 0 435.513 3.177 50 0 IGAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)[nH]n1 ZINC000220861881 557369155 /nfs/dbraw/zinc/36/91/55/557369155.db2.gz DSVSFGZARYSLAN-HNNXBMFYSA-N 0 0 445.483 3.020 50 0 IGAARN O=C(NCc1nnc2ccccn21)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023644636 557370259 /nfs/dbraw/zinc/37/02/59/557370259.db2.gz KWPMFNUEAWCLFD-UHFFFAOYSA-N 0 0 438.841 3.329 50 0 IGAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1cccc(OC)c1OC 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O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000084525222 568798413 /nfs/dbraw/zinc/79/84/13/568798413.db2.gz VHFDUEZBKNPEAU-KRWDZBQOSA-N 0 0 428.558 3.252 50 0 IGAARN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000084636647 568799301 /nfs/dbraw/zinc/79/93/01/568799301.db2.gz LIRCYZXVCQEQFY-CJNGLKHVSA-N 0 0 432.439 3.268 50 0 IGAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCCCCS(C)(=O)=O ZINC000084640449 568799331 /nfs/dbraw/zinc/79/93/31/568799331.db2.gz BIXZSEVLAXZSQW-AWEZNQCLSA-N 0 0 431.555 3.121 50 0 IGAARN C[C@@H](NC(=O)N(C[C@H]1CCOC1)C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000084647577 568799562 /nfs/dbraw/zinc/79/95/62/568799562.db2.gz GUIYNHMUXIEZDP-CHWSQXEVSA-N 0 0 425.323 3.492 50 0 IGAARN C[C@@H](NC(=O)CCC(=O)N1CCn2cccc2[C@@H]1C)C(=O)c1ccc(Br)cc1 ZINC000084718185 568800316 /nfs/dbraw/zinc/80/03/16/568800316.db2.gz OGKQASYPHLPNOJ-CABCVRRESA-N 0 0 446.345 3.322 50 0 IGAARN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1cc(C(F)(F)F)ccc1F ZINC000015669685 568801956 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3.238 50 0 IGAARN CCOC(=O)CCn1c2ccc(F)cc2c2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000085392256 568817037 /nfs/dbraw/zinc/81/70/37/568817037.db2.gz KFCKRCKJRGYHBD-UHFFFAOYSA-N 0 0 430.501 3.481 50 0 IGAARN CCOc1ccccc1CNC(=O)CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O ZINC000015775394 568823584 /nfs/dbraw/zinc/82/35/84/568823584.db2.gz VBMHIANAVXQGRA-UHFFFAOYSA-N 0 0 438.915 3.374 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC1=CCCCC1)N2C(C)=O ZINC000015775981 568823653 /nfs/dbraw/zinc/82/36/53/568823653.db2.gz CYGHYKGDETUUGC-QFIPXVFZSA-N 0 0 447.601 3.001 50 0 IGAARN COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn32)cc1OC ZINC000015776157 568823845 /nfs/dbraw/zinc/82/38/45/568823845.db2.gz SGXURGGBIYCVKN-UHFFFAOYSA-N 0 0 432.484 3.325 50 0 IGAARN C[C@H](CNC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 ZINC000015779760 568824920 /nfs/dbraw/zinc/82/49/20/568824920.db2.gz FZHZMFLELUMHCG-QGZVFWFLSA-N 0 0 433.487 3.262 50 0 IGAARN COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 ZINC000015783972 568826789 /nfs/dbraw/zinc/82/67/89/568826789.db2.gz LUHUCCVWYTXEQQ-UHFFFAOYSA-N 0 0 432.502 3.127 50 0 IGAARN COc1ccc(OC)c(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 ZINC000085598078 568827434 /nfs/dbraw/zinc/82/74/34/568827434.db2.gz AREFUGNCEBWUFU-UHFFFAOYSA-N 0 0 435.546 3.322 50 0 IGAARN Cc1ccc(C)c(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)c1 ZINC000085651911 568831698 /nfs/dbraw/zinc/83/16/98/568831698.db2.gz LTWLKQQGSQXDDS-UHFFFAOYSA-N 0 0 445.566 3.103 50 0 IGAARN COc1ccc(CC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085653879 568832639 /nfs/dbraw/zinc/83/26/39/568832639.db2.gz HEBYWLFYEUJKEO-UHFFFAOYSA-N 0 0 446.551 3.139 50 0 IGAARN O=C(CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1)NC1CC1 ZINC000583652923 568837747 /nfs/dbraw/zinc/83/77/47/568837747.db2.gz DOLPNGMQVSAVIX-GOLZILJVSA-N 0 0 427.585 3.289 50 0 IGAARN COc1cc2nc(C)n(CCNC(=O)CCCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000085875880 568838146 /nfs/dbraw/zinc/83/81/46/568838146.db2.gz 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CCc1ccccc1NC(=O)CSc1nnc(Cc2c(C)nc3ccccn3c2=O)n1C ZINC000015859287 568847172 /nfs/dbraw/zinc/84/71/72/568847172.db2.gz WGPVMYPKKGVOLN-UHFFFAOYSA-N 0 0 448.552 3.015 50 0 IGAARN COc1ccc(CC(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 ZINC000015865226 568850156 /nfs/dbraw/zinc/85/01/56/568850156.db2.gz HSDDUAHMTGZRDQ-UHFFFAOYSA-N 0 0 439.537 3.138 50 0 IGAARN CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1 ZINC000015865776 568850577 /nfs/dbraw/zinc/85/05/77/568850577.db2.gz OLSBQKVGMFNRJM-LJQANCHMSA-N 0 0 428.535 3.479 50 0 IGAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)nn1 ZINC000015880816 568854241 /nfs/dbraw/zinc/85/42/41/568854241.db2.gz JVPLUZFGPUYOMU-UHFFFAOYSA-N 0 0 446.326 3.491 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 ZINC000015882287 568856367 /nfs/dbraw/zinc/85/63/67/568856367.db2.gz WBLLOXPEVHQKGF-UHFFFAOYSA-N 0 0 439.541 3.130 50 0 IGAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000015882414 568856437 /nfs/dbraw/zinc/85/64/37/568856437.db2.gz UTAMWEJNSXRRLM-UHFFFAOYSA-N 0 0 449.985 3.462 50 0 IGAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000015884068 568857910 /nfs/dbraw/zinc/85/79/10/568857910.db2.gz TYYQUWNTTABHPX-UHFFFAOYSA-N 0 0 449.559 3.228 50 0 IGAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000015971561 568861555 /nfs/dbraw/zinc/86/15/55/568861555.db2.gz WOUAGUDTSZIBLI-BKTORNKPSA-N 0 0 425.460 3.113 50 0 IGAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)Cc3cccs3)co2)s1 ZINC000016047800 568869134 /nfs/dbraw/zinc/86/91/34/568869134.db2.gz FIMVDBXOFFVQJM-UHFFFAOYSA-N 0 0 437.524 3.342 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000012941112 568869665 /nfs/dbraw/zinc/86/96/65/568869665.db2.gz FWQDKCVIRBSVTJ-SFHVURJKSA-N 0 0 444.553 3.450 50 0 IGAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012945818 568870981 /nfs/dbraw/zinc/87/09/81/568870981.db2.gz KEOGHPGEVXOQER-CQSZACIVSA-N 0 0 448.445 3.340 50 0 IGAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012949012 568871654 /nfs/dbraw/zinc/87/16/54/568871654.db2.gz SVZPJBDTSFGZCO-NSHDSACASA-N 0 0 435.249 3.351 50 0 IGAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000006195381 568876879 /nfs/dbraw/zinc/87/68/79/568876879.db2.gz GUVVJFQQXODIFR-UHFFFAOYSA-N 0 0 445.523 3.086 50 0 IGAARN COc1cccc(N2C[C@H](C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)CC2=O)c1 ZINC000575608067 568878417 /nfs/dbraw/zinc/87/84/17/568878417.db2.gz QERJXGXTAXUCKA-CQSZACIVSA-N 0 0 434.443 3.040 50 0 IGAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c1 ZINC000575609404 568878870 /nfs/dbraw/zinc/87/88/70/568878870.db2.gz BMHCONRFIHBWCM-SFHVURJKSA-N 0 0 447.534 3.222 50 0 IGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575611663 568879286 /nfs/dbraw/zinc/87/92/86/568879286.db2.gz HPUTXESKXPMFKY-HXUWFJFHSA-N 0 0 443.487 3.439 50 0 IGAARN Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 ZINC000575612758 568879633 /nfs/dbraw/zinc/87/96/33/568879633.db2.gz MMMRSCOJPZWKPU-LBPRGKRZSA-N 0 0 432.365 3.150 50 0 IGAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(C)c(-c3ccco3)c2C)c(C)c1 ZINC000575616086 568881484 /nfs/dbraw/zinc/88/14/84/568881484.db2.gz VYQPLWNJJMUSLD-UHFFFAOYSA-N 0 0 430.530 3.395 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4scnc4c3)cc2)C[C@H](C)O1 ZINC000010217464 568884163 /nfs/dbraw/zinc/88/41/63/568884163.db2.gz KTMUQQXFWMHYRU-KBPBESRZSA-N 0 0 431.539 3.347 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1C ZINC000012962221 568884622 /nfs/dbraw/zinc/88/46/22/568884622.db2.gz HFWDHNGSQJRENJ-LBPRGKRZSA-N 0 0 435.860 3.200 50 0 IGAARN CCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CCCC2 ZINC000102440956 568884966 /nfs/dbraw/zinc/88/49/66/568884966.db2.gz PZFIOJMPPFNKOL-KBPBESRZSA-N 0 0 432.542 3.307 50 0 IGAARN O=C(NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)[C@H]1COc2ccccc2O1 ZINC000090591644 568888701 /nfs/dbraw/zinc/88/87/01/568888701.db2.gz 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COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)Cc1ccccc1 ZINC000013005787 568899260 /nfs/dbraw/zinc/89/92/60/568899260.db2.gz VRYCDUOSYFZMSN-UHFFFAOYSA-N 0 0 447.491 3.254 50 0 IGAARN COc1ccccc1CNC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000013007821 568899495 /nfs/dbraw/zinc/89/94/95/568899495.db2.gz PYKRKVMZWYYPKU-UHFFFAOYSA-N 0 0 446.503 3.441 50 0 IGAARN CC(C)(C)c1cccc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000013012747 568901188 /nfs/dbraw/zinc/90/11/88/568901188.db2.gz RNYWSQPHPHUOFU-UHFFFAOYSA-N 0 0 425.529 3.272 50 0 IGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000013015326 568901492 /nfs/dbraw/zinc/90/14/92/568901492.db2.gz BLGGCUGHXQVUBU-INIZCTEOSA-N 0 0 429.464 3.151 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3OC(F)F)C2)s1 ZINC000013015964 568901574 /nfs/dbraw/zinc/90/15/74/568901574.db2.gz IERWMJHCIIEAJW-HNNXBMFYSA-N 0 0 444.525 3.375 50 0 IGAARN COc1cc([C@H](CC(=O)NCCc2nc(C)cs2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730692 568904161 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CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c2oc1=O ZINC000079490721 569331296 /nfs/dbraw/zinc/33/12/96/569331296.db2.gz HWKHDBHNBNPVKC-QGZVFWFLSA-N 0 0 449.569 3.215 50 0 IGAARN CCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC ZINC000020136983 569335858 /nfs/dbraw/zinc/33/58/58/569335858.db2.gz XKBAICXKKYQIDQ-MRXNPFEDSA-N 0 0 436.310 3.467 50 0 IGAARN Cc1ccc(Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)cc1 ZINC000020139060 569336090 /nfs/dbraw/zinc/33/60/90/569336090.db2.gz DDRCWIKYTTUXEW-UHFFFAOYSA-N 0 0 433.533 3.288 50 0 IGAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)S1(=O)=O ZINC000390831372 569354283 /nfs/dbraw/zinc/35/42/83/569354283.db2.gz RLMOPNVCILWALI-UHFFFAOYSA-N 0 0 428.539 3.102 50 0 IGAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccccc3C)ccc21 ZINC000020232694 569357107 /nfs/dbraw/zinc/35/71/07/569357107.db2.gz UICQNDVUYSAQON-OAQYLSRUSA-N 0 0 443.569 3.236 50 0 IGAARN COC(CNC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2ccc(C)cc2)C1=O)OC ZINC000020237525 569357463 /nfs/dbraw/zinc/35/74/63/569357463.db2.gz CTGDXMYVJYQTJB-KKSFZXQISA-N 0 0 428.554 3.374 50 0 IGAARN CCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000020239991 569357696 /nfs/dbraw/zinc/35/76/96/569357696.db2.gz WMCHMIVNXWSYEX-UHFFFAOYSA-N 0 0 442.541 3.432 50 0 IGAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S@@]3=O)cc1 ZINC000020243361 569358287 /nfs/dbraw/zinc/35/82/87/569358287.db2.gz WEOTZIDOKFNHOI-WJOKGBTCSA-N 0 0 434.517 3.280 50 0 IGAARN CCc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000020284333 569358936 /nfs/dbraw/zinc/35/89/36/569358936.db2.gz VFQFMWAASVOCMQ-SFHVURJKSA-N 0 0 445.541 3.026 50 0 IGAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CCCN1CCOCC1 ZINC000020308114 569359496 /nfs/dbraw/zinc/35/94/96/569359496.db2.gz DVECEAJMNBXQEI-LJQANCHMSA-N 0 0 428.485 3.261 50 0 IGAARN Fc1ccc(-c2nnc3ccc(N4CCN(C(=S)Nc5ccccc5)CC4)nn32)cc1 ZINC000020355792 569361438 /nfs/dbraw/zinc/36/14/38/569361438.db2.gz SPWHVEILZNFXQW-UHFFFAOYSA-N 0 0 433.516 3.449 50 0 IGAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nnc(CC)s4)nn32)cc1 ZINC000020378354 569362344 /nfs/dbraw/zinc/36/23/44/569362344.db2.gz HOXAFXZSVVDTDD-UHFFFAOYSA-N 0 0 441.542 3.335 50 0 IGAARN CCCCNC(=O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000095377589 569363160 /nfs/dbraw/zinc/36/31/60/569363160.db2.gz LLNRSFJIHHOULM-UHFFFAOYSA-N 0 0 431.587 3.340 50 0 IGAARN C[C@H](O)CNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 ZINC000080357155 569363328 /nfs/dbraw/zinc/36/33/28/569363328.db2.gz AIXFMSCQPNSSFV-LBPRGKRZSA-N 0 0 437.370 3.234 50 0 IGAARN Cc1c2cnn(CC(=O)NCc3ccc(F)cc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417335 569364930 /nfs/dbraw/zinc/36/49/30/569364930.db2.gz LHDWWIGTPDARBX-UHFFFAOYSA-N 0 0 436.462 3.458 50 0 IGAARN Cc1c2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417510 569365026 /nfs/dbraw/zinc/36/50/26/569365026.db2.gz HXFGYVSCTHFRNP-UHFFFAOYSA-N 0 0 448.454 3.370 50 0 IGAARN CCOC(=O)Cc1nnc(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)s1 ZINC000095434673 569366388 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IGAARN CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccnn3C3CCCC3)nc2c1 ZINC000008896004 569483840 /nfs/dbraw/zinc/48/38/40/569483840.db2.gz FEPKKHDWBGZZQU-UHFFFAOYSA-N 0 0 449.558 3.121 50 0 IGAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000008896082 569483859 /nfs/dbraw/zinc/48/38/59/569483859.db2.gz NQPZKZPDEDKMPN-IBGZPJMESA-N 0 0 441.528 3.148 50 0 IGAARN CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000008912556 569485005 /nfs/dbraw/zinc/48/50/05/569485005.db2.gz IZLFWWFHPDACOB-UHFFFAOYSA-N 0 0 447.538 3.041 50 0 IGAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000008916326 569485744 /nfs/dbraw/zinc/48/57/44/569485744.db2.gz OWYQISBWZSPMNH-CYBMUJFWSA-N 0 0 437.926 3.337 50 0 IGAARN CCCC[C@@H](CC)CNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000008917708 569486094 /nfs/dbraw/zinc/48/60/94/569486094.db2.gz VOLPMNCHOWNEMH-WEBUEUPWSA-N 0 0 432.517 3.196 50 0 IGAARN O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@@H]1c1nnc2n1CCCCC2 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CC(=O)c1cccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000008992317 569495379 /nfs/dbraw/zinc/49/53/79/569495379.db2.gz KXPJQNCHGWVKEF-UXHICEINSA-N 0 0 430.551 3.043 50 0 IGAARN N=c1c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1[C@H]2c1ccccc1Cl ZINC000008995834 569495672 /nfs/dbraw/zinc/49/56/72/569495672.db2.gz XPDZVORFJFUSAG-HXUWFJFHSA-N 0 0 438.915 3.340 50 0 IGAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C(C)C)cc2)cc1 ZINC000009015353 569496671 /nfs/dbraw/zinc/49/66/71/569496671.db2.gz HUJHRXODCKWYCP-UHFFFAOYSA-N 0 0 443.507 3.475 50 0 IGAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3cc4ccccc4o3)c2=O)c1 ZINC000009016197 569496775 /nfs/dbraw/zinc/49/67/75/569496775.db2.gz IILZAJKECNVMED-UHFFFAOYSA-N 0 0 427.464 3.126 50 0 IGAARN Cc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009015534 569496793 /nfs/dbraw/zinc/49/67/93/569496793.db2.gz MUDIZSKUNACCNX-UHFFFAOYSA-N 0 0 443.551 3.452 50 0 IGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2c[nH]c4ccccc24)C(=O)[C@]31C 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IGAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000009106820 569501849 /nfs/dbraw/zinc/50/18/49/569501849.db2.gz OACMDRUZTKWPIT-GOSISDBHSA-N 0 0 437.564 3.250 50 0 IGAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C1=CCCCC1)C1CC1 ZINC000009112518 569502385 /nfs/dbraw/zinc/50/23/85/569502385.db2.gz BBVBDEGOVSBOON-UHFFFAOYSA-N 0 0 434.587 3.245 50 0 IGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1 ZINC000009115799 569502805 /nfs/dbraw/zinc/50/28/05/569502805.db2.gz SWLBWCBOFCMGTH-UHFFFAOYSA-N 0 0 430.464 3.428 50 0 IGAARN C[C@@H]1CN(C(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)C[C@@H](C)O1 ZINC000009118627 569503406 /nfs/dbraw/zinc/50/34/06/569503406.db2.gz ZDVSPDBROJHKPZ-IAGOWNOFSA-N 0 0 444.528 3.390 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1 ZINC000069378821 569503569 /nfs/dbraw/zinc/50/35/69/569503569.db2.gz KNWFPDHPCYBMMD-CTNGQTDRSA-N 0 0 444.601 3.293 50 0 IGAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c(=O)n(-c2ccccc2)n1C 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CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C)cc3)c2=O)c1 ZINC000040478478 569506792 /nfs/dbraw/zinc/50/67/92/569506792.db2.gz PYRYKQXYCXGHJT-UHFFFAOYSA-N 0 0 441.487 3.361 50 0 IGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(CCO)CCO)occ3-c1ccc(F)cc1 ZINC000009135273 569507112 /nfs/dbraw/zinc/50/71/12/569507112.db2.gz REMDFEMHCVTQPB-UHFFFAOYSA-N 0 0 439.439 3.009 50 0 IGAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(Cl)c1 ZINC000009151777 569507580 /nfs/dbraw/zinc/50/75/80/569507580.db2.gz CFYUPKGRMZVXPF-ZDUSSCGKSA-N 0 0 436.917 3.479 50 0 IGAARN CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2)c(N)n1 ZINC000009152153 569507741 /nfs/dbraw/zinc/50/77/41/569507741.db2.gz SFEZMMYJLDSLHK-UHFFFAOYSA-N 0 0 442.566 3.493 50 0 IGAARN O=C(NCCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009156628 569508365 /nfs/dbraw/zinc/50/83/65/569508365.db2.gz FTFJCHAEPPNXPY-UHFFFAOYSA-N 0 0 446.532 3.287 50 0 IGAARN C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009165900 569508879 /nfs/dbraw/zinc/50/88/79/569508879.db2.gz KMBMXGIXEHQKDO-IBGZPJMESA-N 0 0 446.503 3.328 50 0 IGAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)NC[C@@H]1CCCO1 ZINC000009176482 569509685 /nfs/dbraw/zinc/50/96/85/569509685.db2.gz OGBLVIFVQCNPRG-INIZCTEOSA-N 0 0 429.929 3.426 50 0 IGAARN Cn1c2cn(-c3ccccc3O)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000009185384 569510111 /nfs/dbraw/zinc/51/01/11/569510111.db2.gz ABQPFUHDSARWIU-UHFFFAOYSA-N 0 0 426.270 3.163 50 0 IGAARN Cn1c(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2ccccc21 ZINC000009198140 569511084 /nfs/dbraw/zinc/51/10/84/569511084.db2.gz IRMSQZHUVPWKHP-UHFFFAOYSA-N 0 0 426.542 3.068 50 0 IGAARN O=S(=O)(c1ccc(-c2csc(Cc3nc4ccccc4[nH]3)n2)cc1)N1CCOCC1 ZINC000009199001 569511100 /nfs/dbraw/zinc/51/11/00/569511100.db2.gz XXQYFAPUZJOEKS-UHFFFAOYSA-N 0 0 440.550 3.298 50 0 IGAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000009201669 569511247 /nfs/dbraw/zinc/51/12/47/569511247.db2.gz DDIZMYSCGDKNQO-WMZOPIPTSA-N 0 0 444.582 3.212 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000009218744 569512451 /nfs/dbraw/zinc/51/24/51/569512451.db2.gz DPNMCZZXJOWQDO-UHFFFAOYSA-N 0 0 441.553 3.459 50 0 IGAARN COC(=O)c1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000009220813 569512596 /nfs/dbraw/zinc/51/25/96/569512596.db2.gz LJGAVCGSRVGCOL-UHFFFAOYSA-N 0 0 445.541 3.007 50 0 IGAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000009222444 569512708 /nfs/dbraw/zinc/51/27/08/569512708.db2.gz KREQGFWYUJCOID-UHFFFAOYSA-N 0 0 434.477 3.389 50 0 IGAARN CC(=O)c1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)OCO2 ZINC000009223742 569513028 /nfs/dbraw/zinc/51/30/28/569513028.db2.gz MGKPWXOHWHIFCV-UHFFFAOYSA-N 0 0 430.482 3.045 50 0 IGAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009238940 569514402 /nfs/dbraw/zinc/51/44/02/569514402.db2.gz YZARPLDWIOEMOJ-OALUTQOASA-N 0 0 425.514 3.392 50 0 IGAARN CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009238937 569514408 /nfs/dbraw/zinc/51/44/08/569514408.db2.gz YZARPLDWIOEMOJ-RTBURBONSA-N 0 0 425.514 3.392 50 0 IGAARN Cn1c2nc3n(c2c(=O)n(C/C=C/c2ccccc2)c1=O)CCCN3CCc1ccccc1 ZINC000009243087 569514786 /nfs/dbraw/zinc/51/47/86/569514786.db2.gz KDZJKRFIOJDHDY-RIYZIHGNSA-N 0 0 441.535 3.063 50 0 IGAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CSc2ccc3c(c2)CCC3)c(C)c1 ZINC000009244566 569515106 /nfs/dbraw/zinc/51/51/06/569515106.db2.gz JLYOYNKUZBETBW-UHFFFAOYSA-N 0 0 440.565 3.491 50 0 IGAARN O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1csnn1 ZINC000009250826 569515729 /nfs/dbraw/zinc/51/57/29/569515729.db2.gz GTAWACMOQGCJJC-UHFFFAOYSA-N 0 0 442.566 3.434 50 0 IGAARN CC[C@@H](C(=O)NCCc1cc(OC)ccc1OC)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000009251489 569515948 /nfs/dbraw/zinc/51/59/48/569515948.db2.gz FVYZKCVMYCHWOM-FQEVSTJZSA-N 0 0 448.523 3.285 50 0 IGAARN O=C(Nc1nnc(C2CC2)s1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009253986 569516318 /nfs/dbraw/zinc/51/63/18/569516318.db2.gz QRHPFMXVLBYTLC-UHFFFAOYSA-N 0 0 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ZINC000009586343 569549687 /nfs/dbraw/zinc/54/96/87/569549687.db2.gz UJQYUBFPJVWNHY-LJQANCHMSA-N 0 0 448.273 3.326 50 0 IGAARN COc1ccc(NC(=O)CSc2nc(C)c(C)n2C2CCCC2)cc1S(N)(=O)=O ZINC000009586560 569549679 /nfs/dbraw/zinc/54/96/79/569549679.db2.gz UWMWZJKOJODICL-UHFFFAOYSA-N 0 0 438.575 3.002 50 0 IGAARN COCCNC(=S)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000009590903 569550073 /nfs/dbraw/zinc/55/00/73/569550073.db2.gz TUWWUHNRERJQOR-UHFFFAOYSA-N 0 0 426.336 3.004 50 0 IGAARN Cc1ccc(CNC(=O)c2ccc(Cl)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000009591374 569550197 /nfs/dbraw/zinc/55/01/97/569550197.db2.gz IKGNBFWDCQKWKQ-ROUUACIJSA-N 0 0 449.985 3.259 50 0 IGAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O ZINC000009592494 569550348 /nfs/dbraw/zinc/55/03/48/569550348.db2.gz MILBZKGCMYVTIU-FQEVSTJZSA-N 0 0 431.286 3.498 50 0 IGAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000009593227 569550382 /nfs/dbraw/zinc/55/03/82/569550382.db2.gz VAAHBNBWKOVSGP-UHFFFAOYSA-N 0 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0 IGAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 ZINC000009683462 569560378 /nfs/dbraw/zinc/56/03/78/569560378.db2.gz SKQUHVJGKUMVBI-MRXNPFEDSA-N 0 0 429.542 3.129 50 0 IGAARN COc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(F)c(Cl)c4)nnc3c2=O)cc1 ZINC000009688350 569560829 /nfs/dbraw/zinc/56/08/29/569560829.db2.gz QCGWAIWMKXZDBP-UHFFFAOYSA-N 0 0 441.850 3.253 50 0 IGAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000009690533 569560948 /nfs/dbraw/zinc/56/09/48/569560948.db2.gz YYUVFDHSJLHTSS-GJZGRUSLSA-N 0 0 442.537 3.226 50 0 IGAARN O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000009690154 569560960 /nfs/dbraw/zinc/56/09/60/569560960.db2.gz PDWPFGIUVLFMIG-UHFFFAOYSA-N 0 0 445.498 3.203 50 0 IGAARN C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cc2ccccc2o1 ZINC000009691105 569560986 /nfs/dbraw/zinc/56/09/86/569560986.db2.gz JEPTWWIPOYCLME-IFXJQAMLSA-N 0 0 430.464 3.254 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1 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COc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000009801114 569568717 /nfs/dbraw/zinc/56/87/17/569568717.db2.gz JSHUIQHENZSEOQ-UHFFFAOYSA-N 0 0 431.558 3.211 50 0 IGAARN O=C(CSc1nnnn1C1CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009819376 569569341 /nfs/dbraw/zinc/56/93/41/569569341.db2.gz WXSCSJOTERXISC-UHFFFAOYSA-N 0 0 429.527 3.166 50 0 IGAARN Cn1cc(C(=O)Nc2cc(F)ccc2F)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000009819977 569569377 /nfs/dbraw/zinc/56/93/77/569569377.db2.gz HGJDLHRARVTFFZ-UHFFFAOYSA-N 0 0 430.798 3.201 50 0 IGAARN Cc1ccsc1Cn1nccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009821103 569569437 /nfs/dbraw/zinc/56/94/37/569569437.db2.gz YQKNKYRVELXYJN-OAHLLOKOSA-N 0 0 438.509 3.064 50 0 IGAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccc1-n1cnnn1)CC2 ZINC000009822009 569569520 /nfs/dbraw/zinc/56/95/20/569569520.db2.gz LQDTXAMUAUTVCT-XMMPIXPASA-N 0 0 441.491 3.467 50 0 IGAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009824437 569569641 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DJWGLAHESGTPMG-CQSZACIVSA-N 0 0 428.275 3.354 50 0 IGAARN CC(C)(C)c1cc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)on1 ZINC000032764710 556331974 /nfs/dbraw/zinc/33/19/74/556331974.db2.gz KWMUKQDFSQYNKD-SFHVURJKSA-N 0 0 426.517 3.191 50 0 IGAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)c(Br)c1 ZINC000032771300 556335173 /nfs/dbraw/zinc/33/51/73/556335173.db2.gz BQEIFCYSRRWXFZ-HNNXBMFYSA-N 0 0 443.319 3.448 50 0 IGAARN O=C(c1cccc(CN2CCCC2=O)c1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000032772529 556335305 /nfs/dbraw/zinc/33/53/05/556335305.db2.gz IGZAPEGLLNJJDK-QHCPKHFHSA-N 0 0 447.535 3.229 50 0 IGAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2)CC1=O ZINC000010462034 556335549 /nfs/dbraw/zinc/33/55/49/556335549.db2.gz DSHRCVRRCAIMPN-SFHVURJKSA-N 0 0 436.512 3.484 50 0 IGAARN C[C@H]1Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2NC1=O ZINC000032772877 556335683 /nfs/dbraw/zinc/33/56/83/556335683.db2.gz QOVIYOBXTZBZRN-NEPJUHHUSA-N 0 0 433.386 3.416 50 0 IGAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC ZINC000013943326 556340676 /nfs/dbraw/zinc/34/06/76/556340676.db2.gz FXKJNZCQZIPJDH-HNNXBMFYSA-N 0 0 429.336 3.382 50 0 IGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011342810 556340718 /nfs/dbraw/zinc/34/07/18/556340718.db2.gz BKXYWUKJTMSJEH-OAHLLOKOSA-N 0 0 438.933 3.075 50 0 IGAARN Cc1ccc(NC(=O)CCc2nnc(SCC(=O)N3CCCCC3)n2C)cc1Cl ZINC000011411900 556341071 /nfs/dbraw/zinc/34/10/71/556341071.db2.gz BGQHRMRLWMNBMU-UHFFFAOYSA-N 0 0 435.981 3.453 50 0 IGAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 ZINC000013944884 556342383 /nfs/dbraw/zinc/34/23/83/556342383.db2.gz OFYNNQSDDWFVAL-HNNXBMFYSA-N 0 0 425.460 3.354 50 0 IGAARN CC[C@@H](Sc1nnc(CNC(=O)c2ccccc2F)n1CC)C(=O)NC1CCCC1 ZINC000013956486 556345164 /nfs/dbraw/zinc/34/51/64/556345164.db2.gz LVBITZCZYMDDHN-QGZVFWFLSA-N 0 0 433.553 3.297 50 0 IGAARN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000011699236 556347309 /nfs/dbraw/zinc/34/73/09/556347309.db2.gz BOKNBWYHIVHFHC-HSZRJFAPSA-N 0 0 448.567 3.224 50 0 IGAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(CC)o2)C1 ZINC000011709500 556347593 /nfs/dbraw/zinc/34/75/93/556347593.db2.gz SSDYNEIMCUYPSF-JOCHJYFZSA-N 0 0 431.558 3.447 50 0 IGAARN CCS(=O)(=O)N1CCN(C(=O)c2ccc(COc3cccc4ccccc43)o2)CC1 ZINC000013960430 556347646 /nfs/dbraw/zinc/34/76/46/556347646.db2.gz MNGSLYPMUHHAGI-UHFFFAOYSA-N 0 0 428.510 3.119 50 0 IGAARN COCC1CCN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000011719335 556348463 /nfs/dbraw/zinc/34/84/63/556348463.db2.gz TVCPGNCEZORTER-UHFFFAOYSA-N 0 0 437.540 3.264 50 0 IGAARN CC(=O)c1cc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)oc1C ZINC000032787620 556350328 /nfs/dbraw/zinc/35/03/28/556350328.db2.gz KCBXVGJLUNZJQX-UHFFFAOYSA-N 0 0 432.542 3.214 50 0 IGAARN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](C)N2CCCC2=O)CC1 ZINC000011773733 556350641 /nfs/dbraw/zinc/35/06/41/556350641.db2.gz LAPRJSOUPWUFII-QGZVFWFLSA-N 0 0 438.532 3.010 50 0 IGAARN O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032789103 556350790 /nfs/dbraw/zinc/35/07/90/556350790.db2.gz IXRYHSRUXBLVHZ-CXAGYDPISA-N 0 0 432.402 3.294 50 0 IGAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)cc1F ZINC000013992401 556353105 /nfs/dbraw/zinc/35/31/05/556353105.db2.gz BJJWQGAXVLLXBE-UHFFFAOYSA-N 0 0 435.430 3.323 50 0 IGAARN CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CC1 ZINC000011787762 556354208 /nfs/dbraw/zinc/35/42/08/556354208.db2.gz XZYIIKPDVOLHSJ-RUZDIDTESA-N 0 0 437.540 3.112 50 0 IGAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCC(=O)OC ZINC000014009449 556354215 /nfs/dbraw/zinc/35/42/15/556354215.db2.gz RNXRMMHXZRGZTQ-YVLHZVERSA-N 0 0 444.896 3.061 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000014016736 556355559 /nfs/dbraw/zinc/35/55/59/556355559.db2.gz QLWMRXPXLUQELE-YUSPZLJHSA-N 0 0 435.590 3.166 50 0 IGAARN Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000014019585 556356250 /nfs/dbraw/zinc/35/62/50/556356250.db2.gz SBASRZMZGYNEMX-UHFFFAOYSA-N 0 0 432.524 3.282 50 0 IGAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795381 556357506 /nfs/dbraw/zinc/35/75/06/556357506.db2.gz BXHGEUJBZUYVDI-ZDUSSCGKSA-N 0 0 448.292 3.038 50 0 IGAARN COc1ccc(CNC(=O)CC[C@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)c(OC)c1 ZINC000011814384 556357624 /nfs/dbraw/zinc/35/76/24/556357624.db2.gz MKFAKYBVLKIGTR-XMMPIXPASA-N 0 0 444.503 3.139 50 0 IGAARN COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OC(F)F ZINC000032795663 556357829 /nfs/dbraw/zinc/35/78/29/556357829.db2.gz KWDVSEFSVASSIS-GOSISDBHSA-N 0 0 444.478 3.497 50 0 IGAARN O=C(Cn1nc(Cl)ccc1=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011839700 556364150 /nfs/dbraw/zinc/36/41/50/556364150.db2.gz NVBSXEPCZJTINK-KRWDZBQOSA-N 0 0 435.911 3.270 50 0 IGAARN CCOc1ccccc1N1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000032803052 556365375 /nfs/dbraw/zinc/36/53/75/556365375.db2.gz DYQPNKJBPXFLIX-UHFFFAOYSA-N 0 0 430.936 3.000 50 0 IGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014099614 556367771 /nfs/dbraw/zinc/36/77/71/556367771.db2.gz UJXGBLMDIIHGIU-INIZCTEOSA-N 0 0 449.381 3.276 50 0 IGAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000014099682 556367842 /nfs/dbraw/zinc/36/78/42/556367842.db2.gz OVZWDGDNIPCXJL-UHFFFAOYSA-N 0 0 446.447 3.211 50 0 IGAARN C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000014095917 556367860 /nfs/dbraw/zinc/36/78/60/556367860.db2.gz VYEGBYFBVNZZTM-SJLPKXTDSA-N 0 0 443.594 3.063 50 0 IGAARN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000014101798 556368111 /nfs/dbraw/zinc/36/81/11/556368111.db2.gz AAERFMZJJBSXIA-ZDUSSCGKSA-N 0 0 449.381 3.077 50 0 IGAARN CC[C@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000011872099 556368931 /nfs/dbraw/zinc/36/89/31/556368931.db2.gz MIMFEHQQXBBSDQ-JOCHJYFZSA-N 0 0 434.606 3.369 50 0 IGAARN CSCC[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000032808595 556369040 /nfs/dbraw/zinc/36/90/40/556369040.db2.gz FWYLOJYQLSVAHS-CMKODMSKSA-N 0 0 427.570 3.124 50 0 IGAARN CCc1ccc([C@H](NCc2nc3ccccc3c(=O)n2CC(N)=O)c2cccs2)cc1 ZINC000014116316 556370939 /nfs/dbraw/zinc/37/09/39/556370939.db2.gz JIYHASICJHTLAQ-QHCPKHFHSA-N 0 0 432.549 3.385 50 0 IGAARN Cc1ccc(C(=O)N2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1C ZINC000011881477 556373301 /nfs/dbraw/zinc/37/33/01/556373301.db2.gz VJRFQIVXRFPXOA-JOCHJYFZSA-N 0 0 446.555 3.116 50 0 IGAARN C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NCc1cccs1 ZINC000014129224 556374148 /nfs/dbraw/zinc/37/41/48/556374148.db2.gz BHHHZBLATGKNPZ-INIZCTEOSA-N 0 0 443.598 3.022 50 0 IGAARN COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)c1 ZINC000014137140 556375488 /nfs/dbraw/zinc/37/54/88/556375488.db2.gz WGKVRHSICUXDHQ-UHFFFAOYSA-N 0 0 428.470 3.006 50 0 IGAARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014162290 556378688 /nfs/dbraw/zinc/37/86/88/556378688.db2.gz IVGDOSRUIZBQIX-AWEZNQCLSA-N 0 0 440.887 3.263 50 0 IGAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000014168743 556380513 /nfs/dbraw/zinc/38/05/13/556380513.db2.gz MBSKXWCAHDSVLV-YHYVQYDKSA-N 0 0 445.519 3.410 50 0 IGAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1csc(-c2ccsc2)n1 ZINC000014170475 556381338 /nfs/dbraw/zinc/38/13/38/556381338.db2.gz JISAEWCFZNAMNH-UHFFFAOYSA-N 0 0 440.594 3.288 50 0 IGAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)c2ccc(=O)oc2)C3)c1 ZINC000011983329 556383792 /nfs/dbraw/zinc/38/37/92/556383792.db2.gz IFCXDOORDJLTLU-GOSISDBHSA-N 0 0 439.851 3.480 50 0 IGAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c1C ZINC000014184815 556384803 /nfs/dbraw/zinc/38/48/03/556384803.db2.gz WAZBAUAZIPCEMY-MCMMXHMISA-N 0 0 433.455 3.240 50 0 IGAARN O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000014187592 556386634 /nfs/dbraw/zinc/38/66/34/556386634.db2.gz 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CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000014229413 556396360 /nfs/dbraw/zinc/39/63/60/556396360.db2.gz IUYNIPSWIUDBQH-HSZRJFAPSA-N 0 0 448.539 3.273 50 0 IGAARN Cc1cc(-c2ccccc2)nc2cc(OCC(=O)Nc3ccccc3SCC(N)=O)nn21 ZINC000032810258 556396417 /nfs/dbraw/zinc/39/64/17/556396417.db2.gz GOMQWKZLYPMWSD-UHFFFAOYSA-N 0 0 447.520 3.300 50 0 IGAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000012074253 556396736 /nfs/dbraw/zinc/39/67/36/556396736.db2.gz YOYRNRWBUXECIY-QHCPKHFHSA-N 0 0 431.554 3.413 50 0 IGAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000014237410 556399648 /nfs/dbraw/zinc/39/96/48/556399648.db2.gz GEVXBULIFLXFEW-UHFFFAOYSA-N 0 0 443.532 3.474 50 0 IGAARN Cc1ccc([C@](O)(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C(F)(F)F)o1 ZINC000014241853 556402374 /nfs/dbraw/zinc/40/23/74/556402374.db2.gz WQSJPQBJCZFLSB-GOSISDBHSA-N 0 0 448.463 3.444 50 0 IGAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2c(F)cccc2F)c(=O)[nH]c1=O ZINC000014242770 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COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](CC=C[C@@H]4C)C3=O)c2)cc1 ZINC000100566998 557264830 /nfs/dbraw/zinc/26/48/30/557264830.db2.gz JXWPNABMPCXMNW-GJULWVSJSA-N 0 0 433.460 3.437 50 0 IGAARN COc1ccccc1[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)N(C)C ZINC000027569530 557265802 /nfs/dbraw/zinc/26/58/02/557265802.db2.gz VXPIBQOPCHKXKP-LJQANCHMSA-N 0 0 438.553 3.366 50 0 IGAARN O=C(CN1CCN(c2cnccn2)CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000027632399 557267983 /nfs/dbraw/zinc/26/79/83/557267983.db2.gz KUBPHWMBVQRBMV-NRFANRHFSA-N 0 0 431.565 3.479 50 0 IGAARN CCOC(=O)c1ccoc1COC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000032954445 557268325 /nfs/dbraw/zinc/26/83/25/557268325.db2.gz XRFZKLRYXFVOOD-SECBINFHSA-N 0 0 440.235 3.491 50 0 IGAARN COc1cc(C)c(CN2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1OC ZINC000022925475 557273595 /nfs/dbraw/zinc/27/35/95/557273595.db2.gz FKBFOJFMVHLXOP-IBGZPJMESA-N 0 0 443.563 3.316 50 0 IGAARN CCSc1nnc(NC(=O)c2nn(-c3ccc(Br)cc3)ccc2=O)s1 ZINC000027795234 557274988 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429.948 3.071 50 0 IGAARN COc1cc(C(=O)N(C)CCCNc2cc(=O)oc3ccccc23)cc(OC)c1OC ZINC000101664868 557293503 /nfs/dbraw/zinc/29/35/03/557293503.db2.gz SCDIZXZAALWKJS-UHFFFAOYSA-N 0 0 426.469 3.393 50 0 IGAARN CC[C@@H](C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1)c1ccccc1 ZINC000011665862 557293818 /nfs/dbraw/zinc/29/38/18/557293818.db2.gz XXFRWGXICBJEBK-HXUWFJFHSA-N 0 0 445.502 3.192 50 0 IGAARN COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC ZINC000101665487 557293913 /nfs/dbraw/zinc/29/39/13/557293913.db2.gz QQURPBOTNHUACN-QEJZJMRPSA-N 0 0 441.509 3.106 50 0 IGAARN COc1ccc([C@@H](CNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)[NH+]2CCCC2)cc1 ZINC000014069131 557297322 /nfs/dbraw/zinc/29/73/22/557297322.db2.gz QGZXKHFMGBVPQD-PGRDOPGGSA-N 0 0 437.540 3.153 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828463 557300140 /nfs/dbraw/zinc/30/01/40/557300140.db2.gz FLELJJLKSDOQLF-UHFFFAOYSA-N 0 0 438.443 3.477 50 0 IGAARN O=C([C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1)N1CCOCC1 ZINC000084519428 557309548 /nfs/dbraw/zinc/30/95/48/557309548.db2.gz MRDPEYLOABKPKD-QHCPKHFHSA-N 0 0 436.581 3.014 50 0 IGAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C(=O)NC(C)(C)C)CC3)c2)no1 ZINC000033086602 557322277 /nfs/dbraw/zinc/32/22/77/557322277.db2.gz REKYAIAHDGEKGI-UHFFFAOYSA-N 0 0 440.953 3.014 50 0 IGAARN C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 ZINC000221905215 557327645 /nfs/dbraw/zinc/32/76/45/557327645.db2.gz HEKOXWIARBTNSP-XNJGSVPQSA-N 0 0 443.491 3.313 50 0 IGAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3N)c(C)o2)c(OC)c1 ZINC000033291641 557330144 /nfs/dbraw/zinc/33/01/44/557330144.db2.gz HOVHRLZHLVBVSA-UHFFFAOYSA-N 0 0 448.483 3.450 50 0 IGAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)s1 ZINC000033263440 557330192 /nfs/dbraw/zinc/33/01/92/557330192.db2.gz HJTQIZKSCUTYLB-OAHLLOKOSA-N 0 0 441.557 3.092 50 0 IGAARN Nn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1Cl ZINC000014254578 557330757 /nfs/dbraw/zinc/33/07/57/557330757.db2.gz NCVOWDXIFPMECZ-KRWDZBQOSA-N 0 0 429.933 3.005 50 0 IGAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000023332780 557346024 /nfs/dbraw/zinc/34/60/24/557346024.db2.gz KEWFIPKUQPRFQM-UHFFFAOYSA-N 0 0 436.537 3.044 50 0 IGAARN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCC1=O ZINC000011680869 557352509 /nfs/dbraw/zinc/35/25/09/557352509.db2.gz LMVYYMUEBVKHGC-FQEVSTJZSA-N 0 0 445.516 3.053 50 0 IGAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)c2cccnc2Cl)CC1 ZINC000023425827 557353442 /nfs/dbraw/zinc/35/34/42/557353442.db2.gz YGADLFIPFGURSG-UHFFFAOYSA-N 0 0 439.903 3.207 50 0 IGAARN Cc1cccc(-c2ccnc3nc(N4CCN(C(=O)c5cccnc5Cl)CC4)nn32)c1 ZINC000023456637 557362703 /nfs/dbraw/zinc/36/27/03/557362703.db2.gz HILOUEMCXBSSGL-UHFFFAOYSA-N 0 0 433.903 3.111 50 0 IGAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Cc4nc(-c5ccccc5F)no4)C3)nc2n1 ZINC000220705066 557364976 /nfs/dbraw/zinc/36/49/76/557364976.db2.gz ZIMCOGJQRPQRBI-OAHLLOKOSA-N 0 0 435.463 3.025 50 0 IGAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)ccc3C(=O)O2)cc1 ZINC000011689846 557368597 /nfs/dbraw/zinc/36/85/97/557368597.db2.gz RQGCRUJMBMDBBE-OAQYLSRUSA-N 0 0 436.489 3.349 50 0 IGAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102723318 557369197 /nfs/dbraw/zinc/36/91/97/557369197.db2.gz ZLIJLRZZUHFMRB-DNVJHFABSA-N 0 0 446.459 3.461 50 0 IGAARN Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000023757518 557375714 /nfs/dbraw/zinc/37/57/14/557375714.db2.gz NJXSBUWLPOZKSM-UHFFFAOYSA-N 0 0 437.871 3.470 50 0 IGAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(C)c1 ZINC000023995005 557390522 /nfs/dbraw/zinc/39/05/22/557390522.db2.gz GRFVPYYOASIRER-UHFFFAOYSA-N 0 0 443.569 3.177 50 0 IGAARN NC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccc(F)cc2)CC1 ZINC000011694460 557392392 /nfs/dbraw/zinc/39/23/92/557392392.db2.gz FMUJXSUTOTVSTA-UHFFFAOYSA-N 0 0 440.450 3.067 50 0 IGAARN Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 ZINC000011694570 557392645 /nfs/dbraw/zinc/39/26/45/557392645.db2.gz BHWPHBPQTLQSPE-UHFFFAOYSA-N 0 0 443.916 3.110 50 0 IGAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NCCc1ccccc1 ZINC000011696062 557394272 /nfs/dbraw/zinc/39/42/72/557394272.db2.gz BRZSJVJSSFDPKX-UHFFFAOYSA-N 0 0 443.956 3.285 50 0 IGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12 ZINC000011696178 557394387 /nfs/dbraw/zinc/39/43/87/557394387.db2.gz LMQZIBZNMCIXDG-AWEZNQCLSA-N 0 0 430.555 3.064 50 0 IGAARN COc1ccc(-c2noc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)N(C)C)n2)cc1 ZINC000033428898 557396779 /nfs/dbraw/zinc/39/67/79/557396779.db2.gz SNRKEVUWXUAAJX-UHFFFAOYSA-N 0 0 436.921 3.207 50 0 IGAARN Cc1csc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)cc2-c2ccccc2)n1 ZINC000033435904 557398356 /nfs/dbraw/zinc/39/83/56/557398356.db2.gz FNEYDBNHTOSUAN-UHFFFAOYSA-N 0 0 431.525 3.057 50 0 IGAARN COc1ccc(C(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc43)c2)c(OC)c1 ZINC000034138756 557407875 /nfs/dbraw/zinc/40/78/75/557407875.db2.gz IPJYXTBJNANLAR-UHFFFAOYSA-N 0 0 438.461 3.484 50 0 IGAARN O=c1nc2nc(NCc3ccccc3C(F)(F)F)[nH]cc-2c(=O)n1-c1cccc(F)c1 ZINC000102911485 557411971 /nfs/dbraw/zinc/41/19/71/557411971.db2.gz VBWYJVPQESBPEW-UHFFFAOYSA-N 0 0 431.349 3.239 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033618995 557422206 /nfs/dbraw/zinc/42/22/06/557422206.db2.gz HDSIZWPGXITAPM-WLJFKGHSSA-N 0 0 447.560 3.317 50 0 IGAARN O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)o1 ZINC000103766872 557441537 /nfs/dbraw/zinc/44/15/37/557441537.db2.gz ILOBAYGCDRSZFB-LHQXNBGVSA-N 0 0 431.286 3.228 50 0 IGAARN COc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O ZINC000065304991 557446801 /nfs/dbraw/zinc/44/68/01/557446801.db2.gz HHKMRNIBQJQQBZ-UHFFFAOYSA-N 0 0 437.949 3.048 50 0 IGAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000223223648 557447661 /nfs/dbraw/zinc/44/76/61/557447661.db2.gz DNIBOKGRDWGPCQ-MRXNPFEDSA-N 0 0 427.921 3.416 50 0 IGAARN O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N1CCN(c2ccccc2)CC1 ZINC000097985391 557453433 /nfs/dbraw/zinc/45/34/33/557453433.db2.gz CNERCKYECHQLLU-UHFFFAOYSA-N 0 0 430.911 3.066 50 0 IGAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(F)c(Cl)c4)ncn3n2)c1 ZINC000051317113 557466400 /nfs/dbraw/zinc/46/64/00/557466400.db2.gz MZTYBCBFVKATTI-UHFFFAOYSA-N 0 0 439.878 3.284 50 0 IGAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000051319400 557470293 /nfs/dbraw/zinc/47/02/93/557470293.db2.gz PABLBKLWPMOUGY-UHFFFAOYSA-N 0 0 427.888 3.109 50 0 IGAARN COc1cc(NC(=O)NCCn2c3ncccc3nc2C(F)(F)F)cc(OC)c1OC ZINC000046913535 557513286 /nfs/dbraw/zinc/51/32/86/557513286.db2.gz IJHAMSAZTDJHPK-UHFFFAOYSA-N 0 0 439.394 3.298 50 0 IGAARN O=C(Nc1c(F)c(F)cc(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002802876 557522184 /nfs/dbraw/zinc/52/21/84/557522184.db2.gz XNCXMUBRBHBQAZ-SNVBAGLBSA-N 0 0 434.386 3.422 50 0 IGAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000211106685 557534326 /nfs/dbraw/zinc/53/43/26/557534326.db2.gz XCLVFUIKGHVQLS-HNNXBMFYSA-N 0 0 435.901 3.245 50 0 IGAARN COC(=O)[C@@H](CCSC)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000211404278 557535793 /nfs/dbraw/zinc/53/57/93/557535793.db2.gz KFFBAZZKRYHHBX-QGZVFWFLSA-N 0 0 431.510 3.418 50 0 IGAARN COC(=O)CNC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000045570312 557544011 /nfs/dbraw/zinc/54/40/11/557544011.db2.gz NKZZYQYISDOXSQ-UHFFFAOYSA-N 0 0 448.504 3.147 50 0 IGAARN COc1ccccc1-c1cc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000109027673 557545288 /nfs/dbraw/zinc/54/52/88/557545288.db2.gz YHQRIDQFGJERDJ-JOCHJYFZSA-N 0 0 434.540 3.459 50 0 IGAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccccc1)C(=O)CS2 ZINC000045960774 557554885 /nfs/dbraw/zinc/55/48/85/557554885.db2.gz JEQNGSQPCYRVKX-UHFFFAOYSA-N 0 0 425.554 3.266 50 0 IGAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000039983785 557674331 /nfs/dbraw/zinc/67/43/31/557674331.db2.gz XVMPWNMESUOKJM-ONOODXEBSA-N 0 0 444.915 3.068 50 0 IGAARN CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)C1=O ZINC000040059279 557687367 /nfs/dbraw/zinc/68/73/67/557687367.db2.gz CLZNEAHJXKTNCO-HSZRJFAPSA-N 0 0 430.549 3.388 50 0 IGAARN CSc1nc(C)c(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)n1 ZINC000040106834 557692559 /nfs/dbraw/zinc/69/25/59/557692559.db2.gz YACRHWFMSYBHBH-HUUCEWRRSA-N 0 0 429.590 3.073 50 0 IGAARN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000040145206 557702697 /nfs/dbraw/zinc/70/26/97/557702697.db2.gz KCIIQOQQZAHBFN-UHFFFAOYSA-N 0 0 425.489 3.127 50 0 IGAARN Cc1c(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)nnn1-c1ccc2c(c1)OCCO2 ZINC000225410015 557719575 /nfs/dbraw/zinc/71/95/75/557719575.db2.gz SSGCLBUMGGUBRT-HNNXBMFYSA-N 0 0 449.294 3.117 50 0 IGAARN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)[nH]1 ZINC000225416383 557720645 /nfs/dbraw/zinc/72/06/45/557720645.db2.gz YFKPVZVQCJMSNA-QAETUUGQSA-N 0 0 447.605 3.476 50 0 IGAARN 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CCCN(C)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263615892 568776149 /nfs/dbraw/zinc/77/61/49/568776149.db2.gz FUDASIKWYDLXTI-FQEVSTJZSA-N 0 0 428.508 3.014 50 0 IGAARN Cc1ccc(-c2nn3ccn(Cc4nc(Cc5cccc(F)c5)no4)c(=O)c3c2CO)cc1 ZINC000263619597 568778454 /nfs/dbraw/zinc/77/84/54/568778454.db2.gz ZMKAGYRHKSXPDZ-UHFFFAOYSA-N 0 0 445.454 3.125 50 0 IGAARN Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4F)C3)nn12 ZINC000032100355 568780386 /nfs/dbraw/zinc/78/03/86/568780386.db2.gz VGDGXMRYIZJFOG-GFCCVEGCSA-N 0 0 433.285 3.189 50 0 IGAARN CCCn1c2ccccc2n(CCC(=O)N2CCC(c3nnc4ccccn43)CC2)c1=O ZINC000032212058 568787513 /nfs/dbraw/zinc/78/75/13/568787513.db2.gz MXJFKICIPSPJSC-UHFFFAOYSA-N 0 0 432.528 3.052 50 0 IGAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c(Br)c1 ZINC000084131195 568793984 /nfs/dbraw/zinc/79/39/84/568793984.db2.gz QLFFRHNBMNFPJV-WMLDXEAASA-N 0 0 440.359 3.427 50 0 IGAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCc4cccnc4)c3)nn12 ZINC000001431630 568794861 /nfs/dbraw/zinc/79/48/61/568794861.db2.gz AVQPHSWJTPPGEA-UHFFFAOYSA-N 0 0 444.520 3.435 50 0 IGAARN Cc1cccc(C)c1OC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000084225479 568796312 /nfs/dbraw/zinc/79/63/12/568796312.db2.gz XUFUSNXUUFGASE-OAQYLSRUSA-N 0 0 430.570 3.211 50 0 IGAARN O=C(Oc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000084363710 568797344 /nfs/dbraw/zinc/79/73/44/568797344.db2.gz SSMKYHPVPDYCMZ-INIZCTEOSA-N 0 0 428.279 3.347 50 0 IGAARN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ccc(N2CCCC2=O)cc1 ZINC000084388089 568797464 /nfs/dbraw/zinc/79/74/64/568797464.db2.gz NVNHGARCRFOUQJ-UHFFFAOYSA-N 0 0 431.286 3.277 50 0 IGAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000015557524 568798213 /nfs/dbraw/zinc/79/82/13/568798213.db2.gz DNOYRGVTQKRCNR-UHFFFAOYSA-N 0 0 442.581 3.040 50 0 IGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)C1 ZINC000015615308 568799634 /nfs/dbraw/zinc/79/96/34/568799634.db2.gz RBVITWQBAOZKFC-SFHVURJKSA-N 0 0 430.526 3.211 50 0 IGAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O ZINC000015627771 568800236 /nfs/dbraw/zinc/80/02/36/568800236.db2.gz ISXUIDYJEFGFKN-INIZCTEOSA-N 0 0 443.931 3.059 50 0 IGAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(O)cc3)n2)c1 ZINC000015670496 568802512 /nfs/dbraw/zinc/80/25/12/568802512.db2.gz PSLPLXNQKALQEE-GOSISDBHSA-N 0 0 428.452 3.221 50 0 IGAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(O)c3)n2)c1 ZINC000015670479 568802533 /nfs/dbraw/zinc/80/25/33/568802533.db2.gz BYGZHRONORWODP-SFHVURJKSA-N 0 0 428.452 3.221 50 0 IGAARN O=C(Nc1ccc(Br)cc1)c1c(-c2ccccc2)nc2n1CCS2(=O)=O ZINC000015671420 568802836 /nfs/dbraw/zinc/80/28/36/568802836.db2.gz VHRFOPSZWABCBL-UHFFFAOYSA-N 0 0 432.299 3.352 50 0 IGAARN COc1ccc(CCNC(=O)CN2c3ccccc3Oc3ncccc3C2=O)cc1OC ZINC000015679883 568805792 /nfs/dbraw/zinc/80/57/92/568805792.db2.gz DEWVIAGDUFWITG-UHFFFAOYSA-N 0 0 433.464 3.210 50 0 IGAARN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000015680414 568806097 /nfs/dbraw/zinc/80/60/97/568806097.db2.gz ROFHMCDKTKZNLG-GJZGRUSLSA-N 0 0 430.526 3.184 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)c(C)c1 ZINC000015720871 568811836 /nfs/dbraw/zinc/81/18/36/568811836.db2.gz WBWWDHVDTGKRHN-UHFFFAOYSA-N 0 0 439.468 3.435 50 0 IGAARN Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000015720904 568811924 /nfs/dbraw/zinc/81/19/24/568811924.db2.gz RMVUFCRYQDGRTO-UHFFFAOYSA-N 0 0 443.431 3.265 50 0 IGAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCc4ccccc4)CC3)n2)cc1OC ZINC000015726462 568812554 /nfs/dbraw/zinc/81/25/54/568812554.db2.gz HGEYRAZUQQXZCS-UHFFFAOYSA-N 0 0 436.512 3.282 50 0 IGAARN CCCCOc1ccc(CNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)cc1 ZINC000015732678 568815291 /nfs/dbraw/zinc/81/52/91/568815291.db2.gz SAXNGDMLACMZFB-UHFFFAOYSA-N 0 0 441.557 3.250 50 0 IGAARN CSc1ccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)cc1 ZINC000015732716 568815315 /nfs/dbraw/zinc/81/53/15/568815315.db2.gz AWGJKRZJNFXEAZ-UHFFFAOYSA-N 0 0 429.571 3.039 50 0 IGAARN C[C@@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O ZINC000001451312 568818734 /nfs/dbraw/zinc/81/87/34/568818734.db2.gz SORBHDMDROUWCS-RQZLXBNYSA-N 0 0 449.919 3.119 50 0 IGAARN COCCN(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Cc1ccc(F)cc1 ZINC000085421371 568819641 /nfs/dbraw/zinc/81/96/41/568819641.db2.gz KBTQUJVCGAUCQH-UHFFFAOYSA-N 0 0 443.475 3.153 50 0 IGAARN CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001462739 568819846 /nfs/dbraw/zinc/81/98/46/568819846.db2.gz LWZWYKZPCJSOMC-SFHVURJKSA-N 0 0 444.915 3.470 50 0 IGAARN CNC(=O)c1c2c(sc1NC(=O)[C@@H](C(C)C)N1C(=O)c3ccccc3C1=O)CCCC2 ZINC000001466108 568820262 /nfs/dbraw/zinc/82/02/62/568820262.db2.gz LAKMDJFOCTYUCR-GOSISDBHSA-N 0 0 439.537 3.246 50 0 IGAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000015768544 568821948 /nfs/dbraw/zinc/82/19/48/568821948.db2.gz LZTGEJLSZDHEHA-CVTTXWKISA-N 0 0 429.542 3.177 50 0 IGAARN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768793 568822149 /nfs/dbraw/zinc/82/21/49/568822149.db2.gz PTBLIPIRSAIYNK-OAHLLOKOSA-N 0 0 442.537 3.185 50 0 IGAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)cc(=O)n2o1 ZINC000015772200 568822599 /nfs/dbraw/zinc/82/25/99/568822599.db2.gz CHVAQAVHYJRDAF-INIZCTEOSA-N 0 0 447.447 3.359 50 0 IGAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(C)C)cc3)cc2=O)s1 ZINC000015771878 568822691 /nfs/dbraw/zinc/82/26/91/568822691.db2.gz RIKYYERFKDHIQR-UHFFFAOYSA-N 0 0 428.514 3.445 50 0 IGAARN CSc1ccc(CCNC(=O)CCc2nnc3ccc(NCc4cccnc4)nn32)cc1 ZINC000015776348 568823852 /nfs/dbraw/zinc/82/38/52/568823852.db2.gz JFNWWCOSBXGSDZ-UHFFFAOYSA-N 0 0 447.568 3.145 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000006094891 568824462 /nfs/dbraw/zinc/82/44/62/568824462.db2.gz QHJNIARVHSZLNY-HUUCEWRRSA-N 0 0 438.619 3.365 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1cccc(F)c1 ZINC000085648511 568830596 /nfs/dbraw/zinc/83/05/96/568830596.db2.gz RSZDUURYGMNXFM-UHFFFAOYSA-N 0 0 433.509 3.020 50 0 IGAARN COc1ccc(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085654554 568832937 /nfs/dbraw/zinc/83/29/37/568832937.db2.gz QWXHGLKJCABMAZ-UHFFFAOYSA-N 0 0 446.551 3.139 50 0 IGAARN CCOC(=O)Cc1csc(NC=C2N=C(c3ccc(Br)cc3)OC2=O)n1 ZINC000001513855 568839371 /nfs/dbraw/zinc/83/93/71/568839371.db2.gz UCKWOUOPSKWBKC-JYRVWZFOSA-N 0 0 436.287 3.268 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000086131455 568839796 /nfs/dbraw/zinc/83/97/96/568839796.db2.gz UTWULJVYOOHKTP-UHFFFAOYSA-N 0 0 429.586 3.372 50 0 IGAARN O=C1CCSc2ccc(S(=O)(=O)NCCOc3cccc(C(F)(F)F)c3)cc2N1 ZINC000015827731 568841020 /nfs/dbraw/zinc/84/10/20/568841020.db2.gz OUOCCFBIVRLCGE-UHFFFAOYSA-N 0 0 446.472 3.497 50 0 IGAARN CCCCNC(=O)c1c(=O)c2ccccc2n(C)c1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000006142897 568845667 /nfs/dbraw/zinc/84/56/67/568845667.db2.gz KJXSGDFPADRYKL-UHFFFAOYSA-N 0 0 441.553 3.486 50 0 IGAARN CC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000015880195 568854106 /nfs/dbraw/zinc/85/41/06/568854106.db2.gz XJCGIKIIXOXEGS-UHFFFAOYSA-N 0 0 448.614 3.337 50 0 IGAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882598 568856990 /nfs/dbraw/zinc/85/69/90/568856990.db2.gz YCGWAFQHOGUTRS-QHCPKHFHSA-N 0 0 444.535 3.253 50 0 IGAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc(C(F)(F)F)c1 ZINC000015883803 568857660 /nfs/dbraw/zinc/85/76/60/568857660.db2.gz FOHFFHCFJQBETI-UHFFFAOYSA-N 0 0 425.432 3.090 50 0 IGAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(Cl)cc1 ZINC000015883735 568857979 /nfs/dbraw/zinc/85/79/79/568857979.db2.gz RELKHSLTONJQEI-UHFFFAOYSA-N 0 0 446.960 3.215 50 0 IGAARN COc1cn(CC(=O)NCCc2ccccc2)c(CSc2nc(C)cs2)cc1=O ZINC000015883849 568858114 /nfs/dbraw/zinc/85/81/14/568858114.db2.gz TYQZZNNFJNQUIV-UHFFFAOYSA-N 0 0 429.567 3.273 50 0 IGAARN CC[C@@H](C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1)c1ccccc1 ZINC000015884015 568858298 /nfs/dbraw/zinc/85/82/98/568858298.db2.gz ICDAZSGEXYFLQP-HXUWFJFHSA-N 0 0 445.502 3.192 50 0 IGAARN O=C(NC1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000015968663 568861298 /nfs/dbraw/zinc/86/12/98/568861298.db2.gz UTDQRZHQUMUEND-JWQCQUIFSA-N 0 0 444.579 3.359 50 0 IGAARN COC(=O)c1ccc2c(c1)nc(CN[C@@H](C)c1ccc(OC)c(Br)c1)[nH]c2=O ZINC000016046615 568868892 /nfs/dbraw/zinc/86/88/92/568868892.db2.gz NDHHLDYRNQAUAC-NSHDSACASA-N 0 0 446.301 3.332 50 0 IGAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000016047511 568868979 /nfs/dbraw/zinc/86/89/79/568868979.db2.gz GGVNUKOEOJBFNS-UHFFFAOYSA-N 0 0 440.481 3.383 50 0 IGAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)s1)C1CC1 ZINC000016047824 568869218 /nfs/dbraw/zinc/86/92/18/568869218.db2.gz KEMAKYUPPYNQED-UHFFFAOYSA-N 0 0 447.469 3.490 50 0 IGAARN O=C(COc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012950601 568872147 /nfs/dbraw/zinc/87/21/47/568872147.db2.gz SVGXZHUWHTWLDX-IBGZPJMESA-N 0 0 426.410 3.413 50 0 IGAARN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478173 568882603 /nfs/dbraw/zinc/88/26/03/568882603.db2.gz QPKBTSOBSFINRB-QGZVFWFLSA-N 0 0 426.492 3.373 50 0 IGAARN COc1cc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc(OC)c1OC ZINC000090504279 568886634 /nfs/dbraw/zinc/88/66/34/568886634.db2.gz HODQSZLVWXTVBX-UHFFFAOYSA-N 0 0 437.496 3.467 50 0 IGAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229895383 568887171 /nfs/dbraw/zinc/88/71/71/568887171.db2.gz LOKZOBQZSBEFGP-BJESRGMDSA-N 0 0 436.471 3.204 50 0 IGAARN COc1cc(/C=C/C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)cc(OC)c1OC ZINC000090567283 568888024 /nfs/dbraw/zinc/88/80/24/568888024.db2.gz PWSNEBZNLYMXCC-SNAWJCMRSA-N 0 0 427.482 3.463 50 0 IGAARN O=C(NCCCn1ccnc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000090583325 568888284 /nfs/dbraw/zinc/88/82/84/568888284.db2.gz OSFZWJUZJIUQKF-UHFFFAOYSA-N 0 0 438.553 3.155 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164316 568893462 /nfs/dbraw/zinc/89/34/62/568893462.db2.gz QMRDWBOJBXXNFN-AOUJKTHWSA-N 0 0 433.508 3.442 50 0 IGAARN CCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012981988 568894678 /nfs/dbraw/zinc/89/46/78/568894678.db2.gz AWFOEDWDNWHNEK-INIZCTEOSA-N 0 0 433.917 3.435 50 0 IGAARN COc1ccc([C@H](CNC(=O)c2csc3c2CCCC3)N2CCOCC2)cc1OC ZINC000032736057 568895878 /nfs/dbraw/zinc/89/58/78/568895878.db2.gz KNNZCXPKQCQTTJ-IBGZPJMESA-N 0 0 430.570 3.447 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000013001125 568898753 /nfs/dbraw/zinc/89/87/53/568898753.db2.gz SIZGJGXVQNMJTP-UHFFFAOYSA-N 0 0 430.526 3.470 50 0 IGAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2CSc2nc(C)cs2)CC1 ZINC000013014285 568901804 /nfs/dbraw/zinc/90/18/04/568901804.db2.gz RVNBBFZUTQDHBI-UHFFFAOYSA-N 0 0 439.628 3.288 50 0 IGAARN O=C(O[C@H]1CS(=O)(=O)C[C@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025577930 568909885 /nfs/dbraw/zinc/90/98/85/568909885.db2.gz HFDZPMWEYOOGJM-YADHBBJMSA-N 0 0 435.501 3.356 50 0 IGAARN Cc1ccc(CN(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@H]2CCc3ccccc32)cc1 ZINC000241316951 568912054 /nfs/dbraw/zinc/91/20/54/568912054.db2.gz LWJPZEISRBKOSB-GMAHTHKFSA-N 0 0 426.582 3.130 50 0 IGAARN CCn1ccnc1CN1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[C@H]1C ZINC000242273702 568912572 /nfs/dbraw/zinc/91/25/72/568912572.db2.gz YFFHLZQTHVPJKD-OAHLLOKOSA-N 0 0 431.466 3.485 50 0 IGAARN COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(C)=O)ccc1OCc1ccccc1 ZINC000245015309 568912904 /nfs/dbraw/zinc/91/29/04/568912904.db2.gz LVGMWIKGKRCHPM-BJLQDIEVSA-N 0 0 438.402 3.084 50 0 IGAARN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCO[C@@H](c2ccccc2)C1 ZINC000245256966 568914130 /nfs/dbraw/zinc/91/41/30/568914130.db2.gz UUFFENCMWRFRMT-KKLQWCBXSA-N 0 0 432.524 3.198 50 0 IGAARN COCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000245256988 568914190 /nfs/dbraw/zinc/91/41/90/568914190.db2.gz VKWBXJLBXLQMHT-VMXMFDLUSA-N 0 0 436.533 3.161 50 0 IGAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248343101 568919317 /nfs/dbraw/zinc/91/93/17/568919317.db2.gz ZNIAEOAOTYSHDY-XMODTWTHSA-N 0 0 435.911 3.388 50 0 IGAARN Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)n1N ZINC000001906750 568919537 /nfs/dbraw/zinc/91/95/37/568919537.db2.gz CONKWHNKUUYBIA-UHFFFAOYSA-N 0 0 429.358 3.385 50 0 IGAARN CCn1c(SCCN2C(=O)c3ccccc3S2(=O)=O)nnc1-c1cccc(C)c1 ZINC000089302530 568920414 /nfs/dbraw/zinc/92/04/14/568920414.db2.gz HFUZIJJZMHWZCL-UHFFFAOYSA-N 0 0 428.539 3.210 50 0 IGAARN CN1CCC(=O)Nc2cc(C(=O)NC3CCN(c4nc5ccccc5s4)CC3)ccc21 ZINC000089374945 568922116 /nfs/dbraw/zinc/92/21/16/568922116.db2.gz KEILMJFFYGYSNO-UHFFFAOYSA-N 0 0 435.553 3.474 50 0 IGAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)Cc2cccc(F)c2)CC3)cc1 ZINC000064566026 568932815 /nfs/dbraw/zinc/93/28/15/568932815.db2.gz MUKDEGKAQHKNBH-UHFFFAOYSA-N 0 0 443.544 3.473 50 0 IGAARN C[C@H](Oc1ccccc1)C(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1 ZINC000064566319 568933170 /nfs/dbraw/zinc/93/31/70/568933170.db2.gz XDDIPPDCMCPFRD-INIZCTEOSA-N 0 0 429.480 3.489 50 0 IGAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccccc2C(F)(F)F)CC3)n1C ZINC000064567114 568933314 /nfs/dbraw/zinc/93/33/14/568933314.db2.gz XBYSFXHMYPXDGA-UHFFFAOYSA-N 0 0 436.463 3.155 50 0 IGAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)NCc1ccccc1Cl ZINC000064591387 568935498 /nfs/dbraw/zinc/93/54/98/568935498.db2.gz PPWWZGUMYZFOBX-UHFFFAOYSA-N 0 0 439.878 3.312 50 0 IGAARN O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccccc1Cl ZINC000064592958 568935652 /nfs/dbraw/zinc/93/56/52/568935652.db2.gz FOEXXPVGHHUXDW-UHFFFAOYSA-N 0 0 443.891 3.081 50 0 IGAARN CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000002064908 568941282 /nfs/dbraw/zinc/94/12/82/568941282.db2.gz AOBBVOVDYHPDHG-UHFFFAOYSA-N 0 0 441.347 3.098 50 0 IGAARN CCNC(=S)N1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H](c2cccc(OC)c2OC)C1 ZINC000036055373 568944318 /nfs/dbraw/zinc/94/43/18/568944318.db2.gz UMYKLVSDHDARCT-RTBURBONSA-N 0 0 445.560 3.069 50 0 IGAARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036083498 568947206 /nfs/dbraw/zinc/94/72/06/568947206.db2.gz KGLNOGYETHZKIV-OAQYLSRUSA-N 0 0 426.469 3.296 50 0 IGAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000036083786 568947515 /nfs/dbraw/zinc/94/75/15/568947515.db2.gz XWNRMUPWJJEJMC-NRFANRHFSA-N 0 0 444.459 3.435 50 0 IGAARN Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086499 568948021 /nfs/dbraw/zinc/94/80/21/568948021.db2.gz DVNKSSHKIGEFBS-LJQANCHMSA-N 0 0 440.503 3.242 50 0 IGAARN CCN(CC)C(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086478 568948668 /nfs/dbraw/zinc/94/86/68/568948668.db2.gz NMJZOHFODWWRJF-UHFFFAOYSA-N 0 0 440.931 3.195 50 0 IGAARN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087008 568949451 /nfs/dbraw/zinc/94/94/51/568949451.db2.gz IVHRLPNLWPDDJO-UHFFFAOYSA-N 0 0 444.466 3.451 50 0 IGAARN Cc1ccc(Cn2c(=O)c(C(=O)NCC3CC3)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087892 568949530 /nfs/dbraw/zinc/94/95/30/568949530.db2.gz UWKHOTZJVZPRSN-UHFFFAOYSA-N 0 0 432.524 3.014 50 0 IGAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088908 568950130 /nfs/dbraw/zinc/95/01/30/568950130.db2.gz QSFHYKHFKXARLY-CQSZACIVSA-N 0 0 444.894 3.072 50 0 IGAARN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1OC ZINC000036103736 568952960 /nfs/dbraw/zinc/95/29/60/568952960.db2.gz MRIYLAIYJVQCFG-FQEVSTJZSA-N 0 0 431.529 3.468 50 0 IGAARN C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775933 568954936 /nfs/dbraw/zinc/95/49/36/568954936.db2.gz UCXOUPGFJCHPKN-MRXNPFEDSA-N 0 0 449.942 3.451 50 0 IGAARN C[C@H](NC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)c1ccc2c(c1)OCCO2 ZINC000064776074 568955119 /nfs/dbraw/zinc/95/51/19/568955119.db2.gz ZIXRCPAPTLQUNZ-GJZGRUSLSA-N 0 0 432.480 3.098 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)C ZINC000036117235 568955602 /nfs/dbraw/zinc/95/56/02/568955602.db2.gz LVYRCPAAFWMMDC-FQEVSTJZSA-N 0 0 446.569 3.145 50 0 IGAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)COC ZINC000036121026 568957702 /nfs/dbraw/zinc/95/77/02/568957702.db2.gz CEDHEFSJNYPDCP-LJQANCHMSA-N 0 0 434.533 3.277 50 0 IGAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccccc2OC)c1C ZINC000064792239 568959263 /nfs/dbraw/zinc/95/92/63/568959263.db2.gz MNKUACNBZRJBEZ-UHFFFAOYSA-N 0 0 431.496 3.466 50 0 IGAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2cccnc2)cc1 ZINC000064792815 568959396 /nfs/dbraw/zinc/95/93/96/568959396.db2.gz XGMXSXZYAXQNJX-QHCPKHFHSA-N 0 0 437.507 3.143 50 0 IGAARN CC[C@@H]1Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3cccc(c32)O1 ZINC000064816572 568964157 /nfs/dbraw/zinc/96/41/57/568964157.db2.gz KAPVDKCILSHZBD-LJQANCHMSA-N 0 0 433.508 3.499 50 0 IGAARN CC[C@H]1Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3cccc(c32)O1 ZINC000064816573 568964243 /nfs/dbraw/zinc/96/42/43/568964243.db2.gz KAPVDKCILSHZBD-IBGZPJMESA-N 0 0 433.508 3.499 50 0 IGAARN Cc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(c1ccc3c(c1)OCCO3)C2=O ZINC000064816451 568965294 /nfs/dbraw/zinc/96/52/94/568965294.db2.gz APQMHVKVUNHJCW-RUZDIDTESA-N 0 0 446.507 3.007 50 0 IGAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c(OC)c1 ZINC000064816410 568965295 /nfs/dbraw/zinc/96/52/95/568965295.db2.gz CXVLWMWHTRBNBX-VWLOTQADSA-N 0 0 448.523 3.253 50 0 IGAARN CCCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036157671 568966194 /nfs/dbraw/zinc/96/61/94/568966194.db2.gz XVXCTYXFZGEVLG-OAQYLSRUSA-N 0 0 425.504 3.003 50 0 IGAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccco1 ZINC000036159962 568967291 /nfs/dbraw/zinc/96/72/91/568967291.db2.gz QKFJSUQFASLPMH-MRXNPFEDSA-N 0 0 445.585 3.492 50 0 IGAARN COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4C)CC3)c(C)o2)cc1 ZINC000064835547 568968934 /nfs/dbraw/zinc/96/89/34/568968934.db2.gz YRLKMMXXCONPCG-UHFFFAOYSA-N 0 0 441.553 3.474 50 0 IGAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(-c2ccc(C)cc2)n1 ZINC000064841300 568969880 /nfs/dbraw/zinc/96/98/80/568969880.db2.gz OZHZUJZIHXMMIQ-UHFFFAOYSA-N 0 0 428.514 3.175 50 0 IGAARN Cc1ccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 ZINC000064838566 568970048 /nfs/dbraw/zinc/97/00/48/568970048.db2.gz BGDDXOJGDCLBGT-UHFFFAOYSA-N 0 0 438.549 3.231 50 0 IGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1 ZINC000064841768 568970444 /nfs/dbraw/zinc/97/04/44/568970444.db2.gz CUGLQIWEOBHMLN-UHFFFAOYSA-N 0 0 429.498 3.023 50 0 IGAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3c(C)cc(C)cc3C)no2)cc1 ZINC000064841989 568970667 /nfs/dbraw/zinc/97/06/67/568970667.db2.gz PLNKLSDPRJHCCY-UHFFFAOYSA-N 0 0 445.541 3.446 50 0 IGAARN Cc1ccccc1C(=O)N[C@H](C(=O)NCC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036208591 568973433 /nfs/dbraw/zinc/97/34/33/568973433.db2.gz XQIXJIDMCFIYAI-QHCPKHFHSA-N 0 0 435.568 3.418 50 0 IGAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036209355 568973665 /nfs/dbraw/zinc/97/36/65/568973665.db2.gz LZNCLGZTZBMABW-QRWLVFNGSA-N 0 0 445.560 3.453 50 0 IGAARN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCC2)cc1 ZINC000064862003 568973896 /nfs/dbraw/zinc/97/38/96/568973896.db2.gz PZCFVQIDSLHORW-UHFFFAOYSA-N 0 0 429.542 3.188 50 0 IGAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccc(C)o1 ZINC000064866970 568974796 /nfs/dbraw/zinc/97/47/96/568974796.db2.gz VGWZCDTXBDSPNX-UHFFFAOYSA-N 0 0 432.498 3.349 50 0 IGAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036211744 568975701 /nfs/dbraw/zinc/97/57/01/568975701.db2.gz ADQNQEZWYNAEMU-JOCHJYFZSA-N 0 0 437.540 3.251 50 0 IGAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212415 568976140 /nfs/dbraw/zinc/97/61/40/568976140.db2.gz KLXGLEBNPISDJS-FQEVSTJZSA-N 0 0 427.570 3.171 50 0 IGAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036214617 568977462 /nfs/dbraw/zinc/97/74/62/568977462.db2.gz AAOTUPOCRUYTRY-RXVVDRJESA-N 0 0 444.645 3.101 50 0 IGAARN CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036213590 568977585 /nfs/dbraw/zinc/97/75/85/568977585.db2.gz JZDHBKJLBHAUSJ-NQIIRXRSSA-N 0 0 428.577 3.016 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1cccc(Cl)c1 ZINC000064889363 568979841 /nfs/dbraw/zinc/97/98/41/568979841.db2.gz APCPXDHLSPMUFJ-UHFFFAOYSA-N 0 0 435.937 3.144 50 0 IGAARN Cc1ccc(Cl)cc1NC(=O)CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O ZINC000064891628 568982730 /nfs/dbraw/zinc/98/27/30/568982730.db2.gz QYUUZBYQLUBUPJ-UHFFFAOYSA-N 0 0 436.899 3.437 50 0 IGAARN COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl ZINC000064892474 568983388 /nfs/dbraw/zinc/98/33/88/568983388.db2.gz NKOBXOMSYSCQDU-UHFFFAOYSA-N 0 0 430.935 3.456 50 0 IGAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c(OC)c1 ZINC000064892402 568983418 /nfs/dbraw/zinc/98/34/18/568983418.db2.gz JYHLHQDIWPGWDW-UHFFFAOYSA-N 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COc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)c1 ZINC000064929288 568988175 /nfs/dbraw/zinc/98/81/75/568988175.db2.gz FDGMQVWNJFGJKJ-UHFFFAOYSA-N 0 0 444.944 3.317 50 0 IGAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000006798691 568989925 /nfs/dbraw/zinc/98/99/25/568989925.db2.gz LAOAIBCNBTXRHJ-AEFFLSMTSA-N 0 0 427.574 3.019 50 0 IGAARN NC(=O)C1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000036293381 568989981 /nfs/dbraw/zinc/98/99/81/568989981.db2.gz FKEUEGPKKXWXRA-UHFFFAOYSA-N 0 0 447.463 3.154 50 0 IGAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O ZINC000064942337 568991311 /nfs/dbraw/zinc/99/13/11/568991311.db2.gz AJLVMPMTAFMDRS-UHFFFAOYSA-N 0 0 436.493 3.024 50 0 IGAARN COc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cn2)cc1 ZINC000064942648 568992187 /nfs/dbraw/zinc/99/21/87/568992187.db2.gz ZGDJRWQIEBFRFD-UHFFFAOYSA-N 0 0 428.466 3.193 50 0 IGAARN Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000169681245 568992892 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/nfs/dbraw/zinc/51/55/12/569515512.db2.gz HRKMCNDASWFYII-KRWDZBQOSA-N 0 0 435.505 3.333 50 0 IGAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069738747 569515613 /nfs/dbraw/zinc/51/56/13/569515613.db2.gz OCDNOFLVVBDLEW-UHFFFAOYSA-N 0 0 436.491 3.443 50 0 IGAARN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000009253287 569516215 /nfs/dbraw/zinc/51/62/15/569516215.db2.gz SAKXAEVNLNYCBO-RMFUMNGISA-N 0 0 446.912 3.274 50 0 IGAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCc2ccccc2)cc1 ZINC000009254418 569516357 /nfs/dbraw/zinc/51/63/57/569516357.db2.gz PHNXXTGCGJZNGJ-UHFFFAOYSA-N 0 0 436.580 3.342 50 0 IGAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N[C@H](c1cccs1)c1ccccc1 ZINC000009255152 569516551 /nfs/dbraw/zinc/51/65/51/569516551.db2.gz VEFMBPWUQCXFGJ-SFHVURJKSA-N 0 0 439.518 3.006 50 0 IGAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)Cn3c(C)csc3=O)n2)cc1 ZINC000009255449 569516580 /nfs/dbraw/zinc/51/65/80/569516580.db2.gz NCKBQQNIDAYSLB-ZDUSSCGKSA-N 0 0 431.539 3.475 50 0 IGAARN Nc1nc(COC(=O)C(O)(c2ccccc2)c2ccccc2)nc(Nc2ccccc2)n1 ZINC000009255656 569516658 /nfs/dbraw/zinc/51/66/58/569516658.db2.gz SVDDIEUTZOPOAG-UHFFFAOYSA-N 0 0 427.464 3.177 50 0 IGAARN COc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000009256787 569516783 /nfs/dbraw/zinc/51/67/83/569516783.db2.gz ZLDZCIPDBQVTCP-UHFFFAOYSA-N 0 0 448.541 3.068 50 0 IGAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)CC)[C@@H](c3ccccc3C)C2)c1 ZINC000009260730 569516939 /nfs/dbraw/zinc/51/69/39/569516939.db2.gz BIWLOPGPMXSNCE-HXUWFJFHSA-N 0 0 435.571 3.257 50 0 IGAARN CCn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1cccc(C)c1 ZINC000009263882 569517269 /nfs/dbraw/zinc/51/72/69/569517269.db2.gz JHGJDNXCJJLNMB-UHFFFAOYSA-N 0 0 436.541 3.195 50 0 IGAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264014 569517281 /nfs/dbraw/zinc/51/72/81/569517281.db2.gz AYJLMXFIDMSXRB-AWEZNQCLSA-N 0 0 444.586 3.421 50 0 IGAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NCc3ccco3)c2n1 ZINC000009267979 569517524 /nfs/dbraw/zinc/51/75/24/569517524.db2.gz VODPHIZZYUIIES-UHFFFAOYSA-N 0 0 435.867 3.499 50 0 IGAARN CCn1c(CNC(=O)c2ccco2)nnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000009289885 569519642 /nfs/dbraw/zinc/51/96/42/569519642.db2.gz LSUSQPWSRHNSOB-LBPRGKRZSA-N 0 0 434.547 3.014 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(C(=O)COC(=O)c2ccccc2NCc2ccco2)cc1 ZINC000009285817 569519269 /nfs/dbraw/zinc/51/92/69/569519269.db2.gz GFVSCCZAJUMHGM-UHFFFAOYSA-N 0 0 442.493 3.182 50 0 IGAARN CC[C@H](Sc1nnc(COc2ccc(C)cc2OC)n1C)C(=O)Nc1nnc(C)s1 ZINC000009289900 569519656 /nfs/dbraw/zinc/51/96/56/569519656.db2.gz FPCYUYRRYBZDRG-HNNXBMFYSA-N 0 0 448.574 3.380 50 0 IGAARN Cc1nc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)sc1C ZINC000009302372 569520856 /nfs/dbraw/zinc/52/08/56/569520856.db2.gz FPMJZTFWROKQMR-LBPRGKRZSA-N 0 0 430.559 3.110 50 0 IGAARN COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C ZINC000009305225 569521211 /nfs/dbraw/zinc/52/12/11/569521211.db2.gz FDMRGAVWZFEOCR-UHFFFAOYSA-N 0 0 445.932 3.138 50 0 IGAARN COC(=O)c1sc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)c(C(=O)OC)c1C ZINC000009336785 569523460 /nfs/dbraw/zinc/52/34/60/569523460.db2.gz DQCPDLOJGOPAHR-UHFFFAOYSA-N 0 0 442.396 3.002 50 0 IGAARN C[C@@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000009346962 569524266 /nfs/dbraw/zinc/52/42/66/569524266.db2.gz XLXOKORTLGZSOD-MRVPVSSYSA-N 0 0 425.337 3.215 50 0 IGAARN COc1cc(NC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)ccc1N1CCCC1=O ZINC000069951501 569525358 /nfs/dbraw/zinc/52/53/58/569525358.db2.gz YPCAXXCJHLPOTK-KRWDZBQOSA-N 0 0 429.423 3.092 50 0 IGAARN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(C)(=O)=O ZINC000009356020 569525359 /nfs/dbraw/zinc/52/53/59/569525359.db2.gz BNMGSMRMSRZFHJ-UHFFFAOYSA-N 0 0 429.542 3.351 50 0 IGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2cc(C)cc(C)c2)cc1 ZINC000009356060 569525398 /nfs/dbraw/zinc/52/53/98/569525398.db2.gz SBLIMQQKHGYIEC-UHFFFAOYSA-N 0 0 440.569 3.210 50 0 IGAARN CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000069979212 569526807 /nfs/dbraw/zinc/52/68/07/569526807.db2.gz LTNGPFZDWBFDMA-NRFANRHFSA-N 0 0 425.581 3.237 50 0 IGAARN COc1cc(CCC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc(OC)c1OC ZINC000009375856 569527259 /nfs/dbraw/zinc/52/72/59/569527259.db2.gz AECQMSRFVOPIMF-UHFFFAOYSA-N 0 0 439.512 3.152 50 0 IGAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCc1c[nH]c2ccccc12 ZINC000009377807 569527531 /nfs/dbraw/zinc/52/75/31/569527531.db2.gz PTSPTMMOHMXPKL-UHFFFAOYSA-N 0 0 444.520 3.041 50 0 IGAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)CC)[C@H](c3ccc(F)cc3)C2)c1 ZINC000009380983 569528056 /nfs/dbraw/zinc/52/80/56/569528056.db2.gz YAIZLDQKLCYCEK-IBGZPJMESA-N 0 0 439.534 3.088 50 0 IGAARN Cc1ncc(-c2ccc(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)cc2)o1 ZINC000070017593 569528629 /nfs/dbraw/zinc/52/86/29/569528629.db2.gz BTZAUDHWTXXBNT-UHFFFAOYSA-N 0 0 425.466 3.455 50 0 IGAARN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000070019416 569528763 /nfs/dbraw/zinc/52/87/63/569528763.db2.gz 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CCc1cccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2F)c1 ZINC000009408470 569530604 /nfs/dbraw/zinc/53/06/04/569530604.db2.gz PMBBVMGHJSXPGH-PKOBYXMFSA-N 0 0 447.557 3.102 50 0 IGAARN CCc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408430 569530611 /nfs/dbraw/zinc/53/06/11/569530611.db2.gz VCGVQTLPSBYKBG-WOJBJXKFSA-N 0 0 443.594 3.271 50 0 IGAARN Cc1ccccc1NC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1C ZINC000009413108 569531652 /nfs/dbraw/zinc/53/16/52/569531652.db2.gz UZZULMJGINNLOK-UHFFFAOYSA-N 0 0 425.539 3.279 50 0 IGAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 ZINC000009413805 569531812 /nfs/dbraw/zinc/53/18/12/569531812.db2.gz ATTKMFBHNFXXGG-JOCHJYFZSA-N 0 0 439.493 3.350 50 0 IGAARN O=C(c1ccc(Cl)cc1Cl)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 ZINC000009418538 569532418 /nfs/dbraw/zinc/53/24/18/569532418.db2.gz XBVFOICEDDMTNX-UHFFFAOYSA-N 0 0 442.368 3.456 50 0 IGAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000009426382 569533279 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Cc1ccc(-n2nnnc2SCc2cc(=O)n3cc(Br)ccc3n2)c(C)c1 ZINC000009461307 569537049 /nfs/dbraw/zinc/53/70/49/569537049.db2.gz MUMSEJHOWNBOCO-UHFFFAOYSA-N 0 0 443.330 3.342 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N1CCCC1)n2CC ZINC000009464638 569537720 /nfs/dbraw/zinc/53/77/20/569537720.db2.gz DVDYTBILIFGNFP-OAHLLOKOSA-N 0 0 438.619 3.190 50 0 IGAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009466551 569538206 /nfs/dbraw/zinc/53/82/06/569538206.db2.gz OTNIRVZIMPXQDY-UHFFFAOYSA-N 0 0 429.523 3.083 50 0 IGAARN Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000009466776 569538272 /nfs/dbraw/zinc/53/82/72/569538272.db2.gz QNQTURRDRGUEGX-LJQANCHMSA-N 0 0 429.480 3.481 50 0 IGAARN O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000009485290 569539572 /nfs/dbraw/zinc/53/95/72/569539572.db2.gz MDHFWJOYDQVREM-RTBURBONSA-N 0 0 436.986 3.489 50 0 IGAARN O=C(c1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009483522 569539563 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O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000009418446 132316310 /nfs/dbraw/zinc/31/63/10/132316310.db2.gz PQDXXENJANAAAE-NRFANRHFSA-N 0 0 428.492 3.082 50 0 IGAARN CCOC(=O)c1cccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn32)c1 ZINC000009430921 132317192 /nfs/dbraw/zinc/31/71/92/132317192.db2.gz WMIRKBBVTOQUPK-UHFFFAOYSA-N 0 0 436.516 3.109 50 0 IGAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3c(cc2C)N(C)CCO3)CC1 ZINC000009439867 132317840 /nfs/dbraw/zinc/31/78/40/132317840.db2.gz SBMVECULWCCBOK-UHFFFAOYSA-N 0 0 435.977 3.296 50 0 IGAARN Cc1cccc(N2CCN(C(=O)CCCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1C ZINC000009529807 132320660 /nfs/dbraw/zinc/32/06/60/132320660.db2.gz OCTMASZPODTRSE-UHFFFAOYSA-N 0 0 448.567 3.216 50 0 IGAARN O=C(c1cc2ccccc2[nH]1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009548543 132321223 /nfs/dbraw/zinc/32/12/23/132321223.db2.gz FEZFZQFWLCWPIM-UHFFFAOYSA-N 0 0 433.899 3.330 50 0 IGAARN O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000009545810 132321229 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IGAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCNC(=O)c1cccs1 ZINC000021446612 521693863 /nfs/dbraw/zinc/69/38/63/521693863.db2.gz ZTVOXXJDGRNCDY-UHFFFAOYSA-N 0 0 432.933 3.197 50 0 IGAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000012926882 521694088 /nfs/dbraw/zinc/69/40/88/521694088.db2.gz VGOJAVJQWKJMCD-UHFFFAOYSA-N 0 0 447.944 3.341 50 0 IGAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035961745 521739144 /nfs/dbraw/zinc/73/91/44/521739144.db2.gz WKWMKAUSLYEIOP-IBGZPJMESA-N 0 0 442.491 3.182 50 0 IGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000035947351 521739400 /nfs/dbraw/zinc/73/94/00/521739400.db2.gz CCSZOLAUOKWBPE-OAQYLSRUSA-N 0 0 426.492 3.181 50 0 IGAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)COc2cccc(Br)c2)c1C ZINC000035337404 521750107 /nfs/dbraw/zinc/75/01/07/521750107.db2.gz LLXNCIMUTTZLBW-LBPRGKRZSA-N 0 0 438.274 3.374 50 0 IGAARN COC(=O)c1c(C)c(C(=O)CN(CCc2ccccn2)C(=O)C2CCCC2)c(C)n1C ZINC000036014314 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O=C(CCc1c[nH]c2ccccc12)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263615171 526578019 /nfs/dbraw/zinc/57/80/19/526578019.db2.gz AZPGSVAHFGYTPZ-UHFFFAOYSA-N 0 0 428.540 3.371 50 0 IGAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012932575 526596055 /nfs/dbraw/zinc/59/60/55/526596055.db2.gz JEQJQDIDPKLHOO-UHFFFAOYSA-N 0 0 439.512 3.343 50 0 IGAARN O=C(NC[C@H]1CCCO1)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021879662 526600393 /nfs/dbraw/zinc/60/03/93/526600393.db2.gz QFAYJVLSOJGWII-OAQYLSRUSA-N 0 0 430.508 3.396 50 0 IGAARN O=C(CCc1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020603678 526606636 /nfs/dbraw/zinc/60/66/36/526606636.db2.gz DMHZHJDNJIPNJW-UHFFFAOYSA-N 0 0 448.972 3.312 50 0 IGAARN O=C(CCc1ccccc1)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 ZINC000020984152 526611275 /nfs/dbraw/zinc/61/12/75/526611275.db2.gz BYYGCQRULPKVGD-UHFFFAOYSA-N 0 0 429.552 3.471 50 0 IGAARN O=C(CCc1ccccc1Cl)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012599225 526611891 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O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccc(Br)c1 ZINC000001143143 555651180 /nfs/dbraw/zinc/65/11/80/555651180.db2.gz CKJYLWGFRFMBRG-OAHLLOKOSA-N 0 0 429.270 3.476 50 0 IGAARN C[C@@H](C(=O)OCC(=O)n1c2ccccc2c2c1CCCC2)N1C(=O)c2ccccc2C1=O ZINC000001145944 555653196 /nfs/dbraw/zinc/65/31/96/555653196.db2.gz PQWVBLIIEZIHDS-HNNXBMFYSA-N 0 0 430.460 3.388 50 0 IGAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000001148389 555654915 /nfs/dbraw/zinc/65/49/15/555654915.db2.gz GNLRYOXIFAOANK-UHFFFAOYSA-N 0 0 445.324 3.493 50 0 IGAARN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000001157751 555659860 /nfs/dbraw/zinc/65/98/60/555659860.db2.gz ZYUBIZGJZCDTLF-UHFFFAOYSA-N 0 0 443.352 3.043 50 0 IGAARN O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001199625 555677875 /nfs/dbraw/zinc/67/78/75/555677875.db2.gz RTVKRNIIEHSHCF-UHFFFAOYSA-N 0 0 444.940 3.405 50 0 IGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1cccs1 ZINC000001207612 555680880 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IGAARN Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016249759 556594659 /nfs/dbraw/zinc/59/46/59/556594659.db2.gz QXUZCWNUQWXRLX-UHFFFAOYSA-N 0 0 425.554 3.236 50 0 IGAARN Cn1ccnc1[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc(Cl)cc1 ZINC000016263204 556595415 /nfs/dbraw/zinc/59/54/15/556595415.db2.gz FUWDWQPYWWNVOR-KRWDZBQOSA-N 0 0 443.916 3.248 50 0 IGAARN CC[C@@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000016427259 556606770 /nfs/dbraw/zinc/60/67/70/556606770.db2.gz GQSOHIVPPAECQI-HSZRJFAPSA-N 0 0 443.613 3.267 50 0 IGAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@@H](C)Cc3ccco3)s2)cc1 ZINC000032987027 556606777 /nfs/dbraw/zinc/60/67/77/556606777.db2.gz BEOUQASEWZAQEQ-ZDUSSCGKSA-N 0 0 446.554 3.373 50 0 IGAARN COc1ccccc1CNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987532 556607657 /nfs/dbraw/zinc/60/76/57/556607657.db2.gz GWKUCGJFHJBJIN-UHFFFAOYSA-N 0 0 446.916 3.285 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2=NCCS2)c(C)c1 ZINC000032996123 556611350 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IGAARN COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccc(NC(C)=O)c3)c2C)cc1 ZINC000039455447 556629232 /nfs/dbraw/zinc/62/92/32/556629232.db2.gz JSERHCOPBJAROP-CQSZACIVSA-N 0 0 428.514 3.187 50 0 IGAARN Cc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040392037 556638114 /nfs/dbraw/zinc/63/81/14/556638114.db2.gz PFMLEMATPQWLBV-UHFFFAOYSA-N 0 0 428.427 3.246 50 0 IGAARN COCc1nn2c(nnc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000040392131 556638199 /nfs/dbraw/zinc/63/81/99/556638199.db2.gz SWOYWCDTEAONEJ-UHFFFAOYSA-N 0 0 445.454 3.449 50 0 IGAARN COCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397170 556639437 /nfs/dbraw/zinc/63/94/37/556639437.db2.gz YIXTYCOGEWUOJI-UHFFFAOYSA-N 0 0 443.438 3.381 50 0 IGAARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4ccc(C)cc4n3)c2)CC1 ZINC000016779438 556641052 /nfs/dbraw/zinc/64/10/52/556641052.db2.gz MQDPSSHRPYYKMB-UHFFFAOYSA-N 0 0 427.526 3.274 50 0 IGAARN COC(=O)c1cc(OC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)cc(C(=O)OC)c1 ZINC000032922381 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ZINC000248177568 556675442 /nfs/dbraw/zinc/67/54/42/556675442.db2.gz BGLVWKQWSIACFQ-XPNTWCBSSA-N 0 0 443.503 3.324 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc2)cc1 ZINC000032932396 556675600 /nfs/dbraw/zinc/67/56/00/556675600.db2.gz VECBDZMUHPESSP-FQEVSTJZSA-N 0 0 431.558 3.029 50 0 IGAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000100805642 556675631 /nfs/dbraw/zinc/67/56/31/556675631.db2.gz XAHXAANCTMYWJF-GASCZTMLSA-N 0 0 434.418 3.395 50 0 IGAARN O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000044448319 556675742 /nfs/dbraw/zinc/67/57/42/556675742.db2.gz OKHNZILFLWJVAK-HZPDHXFCSA-N 0 0 444.890 3.225 50 0 IGAARN COc1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O ZINC000032932867 556676079 /nfs/dbraw/zinc/67/60/79/556676079.db2.gz NDJGVSZDKVTNSM-UHFFFAOYSA-N 0 0 431.558 3.165 50 0 IGAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)c(OC)c1 ZINC000011998563 556679672 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556710193 /nfs/dbraw/zinc/71/01/93/556710193.db2.gz GQNAVGPNLQFUBK-NSHDSACASA-N 0 0 436.873 3.226 50 0 IGAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COC)s3)cc2)cc1 ZINC000033032174 556712605 /nfs/dbraw/zinc/71/26/05/556712605.db2.gz LUELKFZKYCPECI-UHFFFAOYSA-N 0 0 426.498 3.266 50 0 IGAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)cc1 ZINC000138556280 556718754 /nfs/dbraw/zinc/71/87/54/556718754.db2.gz FYBURPFRPOJVPT-IPMKNSEASA-N 0 0 426.314 3.293 50 0 IGAARN Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000072328335 556725240 /nfs/dbraw/zinc/72/52/40/556725240.db2.gz JMNDNQKOEQFXOX-UHFFFAOYSA-N 0 0 441.597 3.053 50 0 IGAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000054114392 556728917 /nfs/dbraw/zinc/72/89/17/556728917.db2.gz RXONMWWJGGNVLF-AWEZNQCLSA-N 0 0 429.494 3.410 50 0 IGAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000054114390 556728928 /nfs/dbraw/zinc/72/89/28/556728928.db2.gz 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Cn1nc(Br)c2c1ncnc2N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000079109249 556737726 /nfs/dbraw/zinc/73/77/26/556737726.db2.gz PLDLDGSUDFSVLR-JTQLQIEISA-N 0 0 442.726 3.110 50 0 IGAARN CCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000033048102 556743529 /nfs/dbraw/zinc/74/35/29/556743529.db2.gz LUBDCSUBDUDTBE-UHFFFAOYSA-N 0 0 430.530 3.037 50 0 IGAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)cc1 ZINC000013810631 556743757 /nfs/dbraw/zinc/74/37/57/556743757.db2.gz NLAXQTZGMPRLRU-KRWDZBQOSA-N 0 0 448.591 3.066 50 0 IGAARN COCCn1ccc2cc(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)ccc21 ZINC000206250515 556749196 /nfs/dbraw/zinc/74/91/96/556749196.db2.gz NBWCGNCFPFJOMS-OAQYLSRUSA-N 0 0 432.480 3.097 50 0 IGAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCCCC1 ZINC000057984280 556750190 /nfs/dbraw/zinc/75/01/90/556750190.db2.gz VKVXHURHGWPFFO-UHFFFAOYSA-N 0 0 427.549 3.443 50 0 IGAARN CC(=O)N1CCC(N(Cc2ccc3c(c2)CCO3)S(=O)(=O)c2cccc(C)c2)CC1 ZINC000058003532 556752186 /nfs/dbraw/zinc/75/21/86/556752186.db2.gz HUZNWGJNHFSCMR-UHFFFAOYSA-N 0 0 428.554 3.132 50 0 IGAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000058082845 556756948 /nfs/dbraw/zinc/75/69/48/556756948.db2.gz MEIYLSDECMPZCV-LAHWMRIESA-N 0 0 425.577 3.001 50 0 IGAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2csc(Cc3ccccn3)n2)cc1 ZINC000058109216 556758690 /nfs/dbraw/zinc/75/86/90/556758690.db2.gz HQDKTWOHLGEXON-HXUWFJFHSA-N 0 0 436.537 3.310 50 0 IGAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002092218 556759279 /nfs/dbraw/zinc/75/92/79/556759279.db2.gz UGUQELNWSFJRFX-VFNWGFHPSA-N 0 0 429.494 3.400 50 0 IGAARN COc1cc(CO)cc(I)c1OCC(=O)Nc1ccccc1C ZINC000002554787 556761883 /nfs/dbraw/zinc/76/18/83/556761883.db2.gz IOEWTHOSPOSODF-UHFFFAOYSA-N 0 0 427.238 3.118 50 0 IGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000061882009 556762130 /nfs/dbraw/zinc/76/21/30/556762130.db2.gz VHCKBCDDXUBIPC-UHFFFAOYSA-N 0 0 433.530 3.270 50 0 IGAARN CCCCn1c2nc(CCC(=O)Nc3ccc(C)cc3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000005272640 556762186 /nfs/dbraw/zinc/76/21/86/556762186.db2.gz KFRKHZSJCZEYKS-UHFFFAOYSA-N 0 0 425.533 3.222 50 0 IGAARN COc1ccc(NC(=O)NC(=O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000058159205 556763699 /nfs/dbraw/zinc/76/36/99/556763699.db2.gz DDDJZCWWRQSGMF-CRAIPNDOSA-N 0 0 434.537 3.111 50 0 IGAARN Cc1ccc2c(c1)N(C(=O)Cn1cc(-c3ccccc3C)c(N3CCOCC3)n1)CCO2 ZINC000062006933 556765148 /nfs/dbraw/zinc/76/51/48/556765148.db2.gz SSEGCXOLZAUOEV-UHFFFAOYSA-N 0 0 432.524 3.429 50 0 IGAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000058162022 556765792 /nfs/dbraw/zinc/76/57/92/556765792.db2.gz TVCSXVNPXQAKJB-UHFFFAOYSA-N 0 0 444.578 3.375 50 0 IGAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 ZINC000058179854 556770353 /nfs/dbraw/zinc/77/03/53/556770353.db2.gz JIPQNMQZZSDLGT-UHFFFAOYSA-N 0 0 428.539 3.107 50 0 IGAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)cc1 ZINC000010657491 556775625 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3.446 50 0 IGAARN O=C(CCc1nc(-c2cccnc2)no1)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000058324380 556780624 /nfs/dbraw/zinc/78/06/24/556780624.db2.gz SNGYCJHYIXQNBZ-LJQANCHMSA-N 0 0 434.500 3.267 50 0 IGAARN CCN1C[C@@H](CN(C)C(=O)Nc2cccc(Cn3cccnc3=O)c2)Oc2ccccc21 ZINC000058377679 556784042 /nfs/dbraw/zinc/78/40/42/556784042.db2.gz NQMKDSSGTJSMBB-HXUWFJFHSA-N 0 0 433.512 3.043 50 0 IGAARN O=C(Cc1csc(-c2ncccn2)n1)Nc1cc2c(cc1Br)OCCO2 ZINC000058407556 556786327 /nfs/dbraw/zinc/78/63/27/556786327.db2.gz TUYRVWFZHQNCCQ-UHFFFAOYSA-N 0 0 433.287 3.315 50 0 IGAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc12 ZINC000058415934 556786651 /nfs/dbraw/zinc/78/66/51/556786651.db2.gz DMTQABFKHVAOTK-CQSZACIVSA-N 0 0 437.974 3.272 50 0 IGAARN Cn1c2ccccc2n(CC(=O)NCC2(c3cccc(Br)c3)CCC2)c1=O ZINC000058420617 556787503 /nfs/dbraw/zinc/78/75/03/556787503.db2.gz PYBNIYIUXLTUEL-UHFFFAOYSA-N 0 0 428.330 3.341 50 0 IGAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000059257924 556796438 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CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000051316487 557464418 /nfs/dbraw/zinc/46/44/18/557464418.db2.gz BEZSRBZIHWMISD-UHFFFAOYSA-N 0 0 439.472 3.377 50 0 IGAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104917109 557464972 /nfs/dbraw/zinc/46/49/72/557464972.db2.gz FMOWJXNTNHCUPY-FUHWJXTLSA-N 0 0 433.430 3.080 50 0 IGAARN CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3cnn(C)c3n2)c1C ZINC000036613987 557516897 /nfs/dbraw/zinc/51/68/97/557516897.db2.gz VKDQDASTBXYIKO-UHFFFAOYSA-N 0 0 447.543 3.020 50 0 IGAARN COc1ccc(Cn2c(CNC(=O)c3ccc(OC)c(OC)c3)nc3cccnc32)cc1 ZINC000047145947 557517475 /nfs/dbraw/zinc/51/74/75/557517475.db2.gz DANMRCUJMFWYJN-UHFFFAOYSA-N 0 0 432.480 3.435 50 0 IGAARN CCCCNc1nnc(SCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)s1 ZINC000018421834 557521880 /nfs/dbraw/zinc/52/18/80/557521880.db2.gz LMKCGRCWRYYEBG-UHFFFAOYSA-N 0 0 437.595 3.062 50 0 IGAARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000012070255 557526391 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COc1cccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000009276609 562968730 /nfs/dbraw/zinc/96/87/30/562968730.db2.gz OJJVWWISJHMAHU-QGZVFWFLSA-N 0 0 441.553 3.312 50 0 IGAARN Cc1ccc(C)c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000009396780 562969924 /nfs/dbraw/zinc/96/99/24/562969924.db2.gz FUWPCGPYTSXLAZ-UHFFFAOYSA-N 0 0 434.583 3.364 50 0 IGAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000009439203 562971180 /nfs/dbraw/zinc/97/11/80/562971180.db2.gz DDKGPFGXGKUYIY-UHFFFAOYSA-N 0 0 439.537 3.130 50 0 IGAARN CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009507491 562972521 /nfs/dbraw/zinc/97/25/21/562972521.db2.gz MFIBLOZAFXYECK-UHFFFAOYSA-N 0 0 426.439 3.096 50 0 IGAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000009545171 562973136 /nfs/dbraw/zinc/97/31/36/562973136.db2.gz VWFYVIXVYZFRNG-HNNXBMFYSA-N 0 0 426.897 3.213 50 0 IGAARN CCCCn1c2nc(-c3ccc(OCCC)c(OCC)c3)n(CCOC)c2c(=O)[nH]c1=O ZINC000009661972 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Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000015942616 563019692 /nfs/dbraw/zinc/01/96/92/563019692.db2.gz KUUYYNKNFMRSIJ-UHFFFAOYSA-N 0 0 434.544 3.304 50 0 IGAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCCc1cccs1)nc2C ZINC000015942974 563019783 /nfs/dbraw/zinc/01/97/83/563019783.db2.gz AHHKYZOLGMQZAZ-QGZVFWFLSA-N 0 0 435.553 3.489 50 0 IGAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(C)=O)c3)c(C)o2)cc1 ZINC000015944280 563020260 /nfs/dbraw/zinc/02/02/60/563020260.db2.gz RHRMVBDOXPKOMK-UHFFFAOYSA-N 0 0 442.493 3.415 50 0 IGAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C(C)C)cc1 ZINC000023466490 563027255 /nfs/dbraw/zinc/02/72/55/563027255.db2.gz ANSNJKOBZBXHKI-REXAPNPKSA-N 0 0 435.568 3.307 50 0 IGAARN Cc1cc(=O)oc2cc(OC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc12 ZINC000015079415 568636873 /nfs/dbraw/zinc/63/68/73/568636873.db2.gz DFMNAUPYGHAHLU-UHFFFAOYSA-N 0 0 433.507 3.169 50 0 IGAARN Cc1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc3nsnc32)c1C ZINC000019077549 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CSc1ncccc1C(=O)N1CCC(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000044001559 568745541 /nfs/dbraw/zinc/74/55/41/568745541.db2.gz HHZSYDHGQBWHCE-FNORWQNLSA-N 0 0 439.537 3.214 50 0 IGAARN O=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000044165884 568748943 /nfs/dbraw/zinc/74/89/43/568748943.db2.gz JIBZQHOFTKFOSM-UHFFFAOYSA-N 0 0 440.415 3.184 50 0 IGAARN Cc1sc2ncn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2c1-c1ccccc1 ZINC000003449579 568749592 /nfs/dbraw/zinc/74/95/92/568749592.db2.gz UECCHXYJGNOGEG-UHFFFAOYSA-N 0 0 433.489 3.479 50 0 IGAARN O=C(Cc1ccc(Cl)cc1)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 ZINC000334159181 568751142 /nfs/dbraw/zinc/75/11/42/568751142.db2.gz VOAIQWDNTFUIJV-SFHVURJKSA-N 0 0 429.929 3.166 50 0 IGAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003609740 568751349 /nfs/dbraw/zinc/75/13/49/568751349.db2.gz JEISDAXTYLAANB-UHFFFAOYSA-N 0 0 431.945 3.287 50 0 IGAARN CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2Br)C1=O ZINC000003597312 568751422 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ZINC000263616545 568776659 /nfs/dbraw/zinc/77/66/59/568776659.db2.gz JJKZINVVRPLDNH-UHFFFAOYSA-N 0 0 434.887 3.113 50 0 IGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c3CO2)cc1 ZINC000263616905 568776997 /nfs/dbraw/zinc/77/69/97/568776997.db2.gz LDCVHMBFAGWANK-QHCPKHFHSA-N 0 0 447.539 3.137 50 0 IGAARN Cc1ccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)[nH]c(=O)c34)CC2)c(C)c1 ZINC000263617180 568777044 /nfs/dbraw/zinc/77/70/44/568777044.db2.gz MNKAJOXAPFYHTB-UHFFFAOYSA-N 0 0 428.496 3.076 50 0 IGAARN COc1ccc(-c2cc3n(n2)[C@H](NCc2cccc(Br)c2)CNC3=O)cc1 ZINC000263619410 568778026 /nfs/dbraw/zinc/77/80/26/568778026.db2.gz YOSHKCNOGZJCHO-IBGZPJMESA-N 0 0 427.302 3.353 50 0 IGAARN COc1ccc(Br)cc1/C=c1\sc2nnc(-c3ccccc3C)n2c1=O ZINC000001300233 568779027 /nfs/dbraw/zinc/77/90/27/568779027.db2.gz QFVBEZCIFMOVDA-YBEGLDIGSA-N 0 0 428.311 3.445 50 0 IGAARN COc1cc(CNC(=O)CN2C[C@H](CO)Oc3ccccc32)ccc1OCc1ccccc1 ZINC000083923678 568785849 /nfs/dbraw/zinc/78/58/49/568785849.db2.gz MVWOGFFLZLWYOH-OAQYLSRUSA-N 0 0 448.519 3.150 50 0 IGAARN CN1C(=O)C(=C(NCc2ccc(C(F)(F)F)cc2)Nc2ccccc2)C(=O)N(C)C1=O ZINC000001407610 568787355 /nfs/dbraw/zinc/78/73/55/568787355.db2.gz OBHDAEBVYPGVQH-UHFFFAOYSA-N 0 0 432.402 3.169 50 0 IGAARN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3ccc(Oc4ncccn4)cc3)cc12 ZINC000084067978 568791103 /nfs/dbraw/zinc/79/11/03/568791103.db2.gz LTRMWCCJIGFGRF-CYBMUJFWSA-N 0 0 436.497 3.283 50 0 IGAARN C[C@H](NC(=O)CCC(=O)NCCc1ccccc1F)C(=O)c1ccc(Br)cc1 ZINC000084099216 568792754 /nfs/dbraw/zinc/79/27/54/568792754.db2.gz IQLCDVSRKUVXGD-AWEZNQCLSA-N 0 0 449.320 3.415 50 0 IGAARN Cc1ccc(I)c(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000084146263 568794757 /nfs/dbraw/zinc/79/47/57/568794757.db2.gz PZADTCRCPCTVJS-UHFFFAOYSA-N 0 0 438.265 3.319 50 0 IGAARN NC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000015498329 568794838 /nfs/dbraw/zinc/79/48/38/568794838.db2.gz JXHBTVTXOMHHGB-UHFFFAOYSA-N 0 0 429.885 3.492 50 0 IGAARN COc1ccc([C@@H]2N(C(=O)C(F)(F)F)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000001432778 568795380 /nfs/dbraw/zinc/79/53/80/568795380.db2.gz BTOFZYZRTLJXBT-QGZVFWFLSA-N 0 0 428.432 3.179 50 0 IGAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC[C@@H](O)c1ccc(OC(F)F)cc1)CC2 ZINC000084286976 568796822 /nfs/dbraw/zinc/79/68/22/568796822.db2.gz ODHRYGFBMISWLP-MLGOLLRUSA-N 0 0 445.388 3.360 50 0 IGAARN O=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCCc4cc(F)cc(F)c43)cc2[nH]1 ZINC000084335177 568797234 /nfs/dbraw/zinc/79/72/34/568797234.db2.gz SYJNAFHSXZLEIF-UHFFFAOYSA-N 0 0 444.257 3.038 50 0 IGAARN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000084363481 568797293 /nfs/dbraw/zinc/79/72/93/568797293.db2.gz ZECFSSYBHGBCBE-UHFFFAOYSA-N 0 0 431.286 3.216 50 0 IGAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN([C@@H](CO)c2cccc(Cl)c2)CC1 ZINC000084367471 568797334 /nfs/dbraw/zinc/79/73/34/568797334.db2.gz BDAQGHAYQGXYGO-NRFANRHFSA-N 0 0 428.895 3.361 50 0 IGAARN O=C(Nc1ccn(CCc2ccccn2)n1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000084609969 568799168 /nfs/dbraw/zinc/79/91/68/568799168.db2.gz HWOKHWLQZMBZST-UHFFFAOYSA-N 0 0 438.285 3.377 50 0 IGAARN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1S[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000084750167 568800787 /nfs/dbraw/zinc/80/07/87/568800787.db2.gz YANFPDXGAIUNOB-AWEZNQCLSA-N 0 0 449.602 3.332 50 0 IGAARN CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000084770988 568801115 /nfs/dbraw/zinc/80/11/15/568801115.db2.gz XWUCXARNTNMPDO-OAHLLOKOSA-N 0 0 433.530 3.386 50 0 IGAARN CCOC(=O)c1c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)nn2cc[nH]c12 ZINC000084795692 568801412 /nfs/dbraw/zinc/80/14/12/568801412.db2.gz IBJTUBGAFMBEOW-UHFFFAOYSA-N 0 0 428.836 3.114 50 0 IGAARN COc1ccc(OC)c(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c1 ZINC000015681723 568806728 /nfs/dbraw/zinc/80/67/28/568806728.db2.gz QWTWRMVQJGOYDP-UHFFFAOYSA-N 0 0 425.460 3.391 50 0 IGAARN O=C(NCCN1CCOCC1)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 ZINC000015681979 568806835 /nfs/dbraw/zinc/80/68/35/568806835.db2.gz JYVNVOJOYOHLGT-UHFFFAOYSA-N 0 0 427.508 3.150 50 0 IGAARN Cc1ccc(CCNC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000015726661 568812508 /nfs/dbraw/zinc/81/25/08/568812508.db2.gz POHNJYSNMYKQGI-JKSUJKDBSA-N 0 0 446.594 3.196 50 0 IGAARN COc1ccc(C)cc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000015726835 568812527 /nfs/dbraw/zinc/81/25/27/568812527.db2.gz MYINJNNOSRCGCS-ZDUSSCGKSA-N 0 0 434.539 3.096 50 0 IGAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1OC ZINC000015728152 568812802 /nfs/dbraw/zinc/81/28/02/568812802.db2.gz LHIGFKRHIPWEEK-KRWDZBQOSA-N 0 0 441.557 3.269 50 0 IGAARN Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCN2CCc3ccccc3C2)n1 ZINC000015729682 568813600 /nfs/dbraw/zinc/81/36/00/568813600.db2.gz ZSUHRKBMAYXJHD-UHFFFAOYSA-N 0 0 428.496 3.019 50 0 IGAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)CC1 ZINC000015730367 568813938 /nfs/dbraw/zinc/81/39/38/568813938.db2.gz MMPNCDPCKZLVKY-HNNXBMFYSA-N 0 0 447.582 3.029 50 0 IGAARN CCOC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000001466162 568820460 /nfs/dbraw/zinc/82/04/60/568820460.db2.gz JYVXHMRULMGITC-UHFFFAOYSA-N 0 0 426.494 3.428 50 0 IGAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cccs3)sc2=N1 ZINC000001470280 568821755 /nfs/dbraw/zinc/82/17/55/568821755.db2.gz SCFOQXAQFOWWHN-XBNGYDHASA-N 0 0 430.576 3.310 50 0 IGAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(CC)CC)cc3)cc2=O)s1 ZINC000015771614 568822506 /nfs/dbraw/zinc/82/25/06/568822506.db2.gz HNMASKHYPLLUMX-UHFFFAOYSA-N 0 0 428.514 3.445 50 0 IGAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)COc4cccc(C)c4)c3)cc(=O)n2o1 ZINC000015772260 568822819 /nfs/dbraw/zinc/82/28/19/568822819.db2.gz FYKAEUGLFGXSGO-UHFFFAOYSA-N 0 0 447.447 3.279 50 0 IGAARN COc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000015772346 568822850 /nfs/dbraw/zinc/82/28/50/568822850.db2.gz REVAFMFDAMAQDR-UHFFFAOYSA-N 0 0 433.420 3.214 50 0 IGAARN COc1ccc(OC)c(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn32)c1 ZINC000015776130 568823807 /nfs/dbraw/zinc/82/38/07/568823807.db2.gz SNZLBHABSDDJRK-UHFFFAOYSA-N 0 0 432.484 3.325 50 0 IGAARN Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)cc1F ZINC000015776708 568823926 /nfs/dbraw/zinc/82/39/26/568823926.db2.gz SDSIKROTMDKXCV-UHFFFAOYSA-N 0 0 448.458 3.484 50 0 IGAARN Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21 ZINC000015776703 568824009 /nfs/dbraw/zinc/82/40/09/568824009.db2.gz UAPXLCREHNRPQQ-UHFFFAOYSA-N 0 0 448.458 3.484 50 0 IGAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000006094887 568824234 /nfs/dbraw/zinc/82/42/34/568824234.db2.gz QHJNIARVHSZLNY-GJZGRUSLSA-N 0 0 438.619 3.365 50 0 IGAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2)c2cccs2)cc1 ZINC000015780765 568825221 /nfs/dbraw/zinc/82/52/21/568825221.db2.gz WNQSFLDFKKKSBX-HXUWFJFHSA-N 0 0 431.535 3.467 50 0 IGAARN CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000006101420 568825346 /nfs/dbraw/zinc/82/53/46/568825346.db2.gz QFAPEBXQPIBXOE-SFHVURJKSA-N 0 0 432.571 3.037 50 0 IGAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2C)c2ccco2)cc1 ZINC000015781205 568825797 /nfs/dbraw/zinc/82/57/97/568825797.db2.gz AUZJEJTWYMBPKF-NRFANRHFSA-N 0 0 429.494 3.307 50 0 IGAARN CCc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)cc5)nn4ccn3c2=O)cc1 ZINC000085643053 568829383 /nfs/dbraw/zinc/82/93/83/568829383.db2.gz ZQDOUEQTYJJVOS-UHFFFAOYSA-N 0 0 426.480 3.320 50 0 IGAARN Cc1ccccc1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 ZINC000015784528 568829421 /nfs/dbraw/zinc/82/94/21/568829421.db2.gz PYRGYEZADGLYTB-NRFANRHFSA-N 0 0 439.581 3.246 50 0 IGAARN COc1ccc(CNC(=O)CN2c3ccccc3-n3cccc3SCC2=O)c(OC)c1 ZINC000015784827 568829596 /nfs/dbraw/zinc/82/95/96/568829596.db2.gz QOXLWGDHFQTJSF-UHFFFAOYSA-N 0 0 437.521 3.250 50 0 IGAARN Cc1c(Cl)cccc1NC(=O)CCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000085645617 568830563 /nfs/dbraw/zinc/83/05/63/568830563.db2.gz HWQZRJJULRKUNE-UHFFFAOYSA-N 0 0 435.937 3.062 50 0 IGAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000012821342 568830921 /nfs/dbraw/zinc/83/09/21/568830921.db2.gz UNOFWKDIOBJSAG-UHFFFAOYSA-N 0 0 439.537 3.185 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2C)c1C ZINC000085712727 568835599 /nfs/dbraw/zinc/83/55/99/568835599.db2.gz RHIJBQQEOIHESE-SFHVURJKSA-N 0 0 434.558 3.487 50 0 IGAARN Cc1ccc(S(=O)(=O)N2C/C=C\CN(S(=O)(=O)c3ccc(C)cc3)C/C=C\C2)cc1 ZINC000043198599 568842903 /nfs/dbraw/zinc/84/29/03/568842903.db2.gz FSTBXBPWUSNRKR-GLIMQPGKSA-N 0 0 446.594 3.111 50 0 IGAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCCC1 ZINC000015859063 568847009 /nfs/dbraw/zinc/84/70/09/568847009.db2.gz WIXMLGDPCUCVRW-UHFFFAOYSA-N 0 0 442.951 3.327 50 0 IGAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)ccc21 ZINC000015863234 568849033 /nfs/dbraw/zinc/84/90/33/568849033.db2.gz ZCOFITBOQSYAPA-UHFFFAOYSA-N 0 0 425.920 3.273 50 0 IGAARN Cc1cc(-n2c(C)cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)c2C)no1 ZINC000026114480 568849710 /nfs/dbraw/zinc/84/97/10/568849710.db2.gz VKMROCOWLJCTII-UHFFFAOYSA-N 0 0 448.570 3.035 50 0 IGAARN O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015867196 568850759 /nfs/dbraw/zinc/85/07/59/568850759.db2.gz RMDZVEOFUYMRQW-UHFFFAOYSA-N 0 0 446.338 3.411 50 0 IGAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 ZINC000015882361 568856303 /nfs/dbraw/zinc/85/63/03/568856303.db2.gz JIESTOJLYZYTKK-UHFFFAOYSA-N 0 0 442.317 3.407 50 0 IGAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1 ZINC000015882773 568857392 /nfs/dbraw/zinc/85/73/92/568857392.db2.gz MLDALHYCSSNFIC-UHFFFAOYSA-N 0 0 434.521 3.109 50 0 IGAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000015992893 568861875 /nfs/dbraw/zinc/86/18/75/568861875.db2.gz LIEZRKTXFCKNDP-RXVVDRJESA-N 0 0 449.617 3.006 50 0 IGAARN CCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1O ZINC000006181248 568867953 /nfs/dbraw/zinc/86/79/53/568867953.db2.gz XKQLXSOEJLTJMZ-UHFFFAOYSA-N 0 0 447.944 3.489 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 ZINC000016047564 568869069 /nfs/dbraw/zinc/86/90/69/568869069.db2.gz ATHOCPJHEPQNBD-UHFFFAOYSA-N 0 0 445.479 3.014 50 0 IGAARN COc1ccc(N2C[C@@H](NC(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3C)CC2=O)cc1 ZINC000016047650 568869132 /nfs/dbraw/zinc/86/91/32/568869132.db2.gz YJFOAOJKRIQCCD-RDJZCZTQSA-N 0 0 439.512 3.147 50 0 IGAARN CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(Cl)cc1 ZINC000016112379 568870785 /nfs/dbraw/zinc/87/07/85/568870785.db2.gz JMJZWXDBZRFWGV-FQEVSTJZSA-N 0 0 443.931 3.490 50 0 IGAARN CCCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000012949765 568871729 /nfs/dbraw/zinc/87/17/29/568871729.db2.gz BMPBCXOWGJLXBQ-UHFFFAOYSA-N 0 0 432.542 3.067 50 0 IGAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000012950430 568871939 /nfs/dbraw/zinc/87/19/39/568871939.db2.gz SXKXMSVVFIYTQD-IPYPFGDCSA-N 0 0 441.450 3.118 50 0 IGAARN CCc1cc(=O)oc2cc(OC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)ccc12 ZINC000012949938 568872102 /nfs/dbraw/zinc/87/21/02/568872102.db2.gz 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Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000013008494 568899464 /nfs/dbraw/zinc/89/94/64/568899464.db2.gz UQUJBUPPZNUOGE-UHFFFAOYSA-N 0 0 425.510 3.043 50 0 IGAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000013011138 568900127 /nfs/dbraw/zinc/90/01/27/568900127.db2.gz DHIPOHSKTNQLJJ-UHFFFAOYSA-N 0 0 439.604 3.308 50 0 IGAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(Br)c1 ZINC000013020270 568901986 /nfs/dbraw/zinc/90/19/86/568901986.db2.gz HRVNQIOUCZPAOL-CYBMUJFWSA-N 0 0 430.302 3.285 50 0 IGAARN CCC(CC)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 ZINC000013022127 568902351 /nfs/dbraw/zinc/90/23/51/568902351.db2.gz CTGKBBAAZBPWIC-JOCHJYFZSA-N 0 0 428.552 3.367 50 0 IGAARN CN1CCN(C(=O)CCCCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)CC1 ZINC000524729725 568903947 /nfs/dbraw/zinc/90/39/47/568903947.db2.gz GRPSJPBQMJNWNV-DEOSSOPVSA-N 0 0 446.551 3.136 50 0 IGAARN CCOCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000001784739 568907405 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CCc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1 ZINC000064566520 568933510 /nfs/dbraw/zinc/93/35/10/568933510.db2.gz NQOABUHWVWEGBN-UHFFFAOYSA-N 0 0 449.536 3.447 50 0 IGAARN CCOc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064592956 568935581 /nfs/dbraw/zinc/93/55/81/568935581.db2.gz JCJRMCFGIGWMPT-UHFFFAOYSA-N 0 0 439.472 3.149 50 0 IGAARN CCc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4OC)ccn23)c1 ZINC000064593079 568935734 /nfs/dbraw/zinc/93/57/34/568935734.db2.gz SZMPUXLWDGLQTG-UHFFFAOYSA-N 0 0 435.509 3.182 50 0 IGAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593572 568935946 /nfs/dbraw/zinc/93/59/46/568935946.db2.gz IIMHOLGSZLRDDV-UHFFFAOYSA-N 0 0 435.509 3.236 50 0 IGAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000089532410 568936426 /nfs/dbraw/zinc/93/64/26/568936426.db2.gz KNDKAFHFLUMTLV-LPHOPBHVSA-N 0 0 441.557 3.298 50 0 IGAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000089552915 568937430 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426.469 3.296 50 0 IGAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccccc2)nn(-c2ccccc2F)c1=O ZINC000036085371 568947930 /nfs/dbraw/zinc/94/79/30/568947930.db2.gz ASFIZKCVPHKTEE-KRWDZBQOSA-N 0 0 444.466 3.073 50 0 IGAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086497 568948145 /nfs/dbraw/zinc/94/81/45/568948145.db2.gz QPUZJOKPUTXVPJ-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O)c1ccccc1 ZINC000036085917 568948293 /nfs/dbraw/zinc/94/82/93/568948293.db2.gz BIXDBWMRDHMKLI-QGZVFWFLSA-N 0 0 444.466 3.073 50 0 IGAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036086694 568948944 /nfs/dbraw/zinc/94/89/44/568948944.db2.gz OGHYJBDFLRYCDJ-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086863 568949256 /nfs/dbraw/zinc/94/92/56/568949256.db2.gz NUTOLLDEMITCCM-UHFFFAOYSA-N 0 0 448.429 3.281 50 0 IGAARN 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/nfs/dbraw/zinc/56/30/88/569563088.db2.gz MVRNWHDPZCFIHT-CQSZACIVSA-N 0 0 431.539 3.344 50 0 IGAARN CC(C)n1c(=O)c2ccccc2nc1SCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000009727438 569564002 /nfs/dbraw/zinc/56/40/02/569564002.db2.gz RQBNUSKIMUGFOF-OAHLLOKOSA-N 0 0 425.510 3.026 50 0 IGAARN Cn1nc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c2ccccc2c1=O ZINC000009730084 569564338 /nfs/dbraw/zinc/56/43/38/569564338.db2.gz VAPHJGACQWEHMK-UHFFFAOYSA-N 0 0 438.285 3.193 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009730505 569564435 /nfs/dbraw/zinc/56/44/35/569564435.db2.gz RCGXPKZMKGIYSG-UHFFFAOYSA-N 0 0 441.553 3.314 50 0 IGAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000009731628 569564614 /nfs/dbraw/zinc/56/46/14/569564614.db2.gz IBXLNBRFFXAVHC-UHFFFAOYSA-N 0 0 436.443 3.231 50 0 IGAARN CN(c1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1)S(C)(=O)=O ZINC000009741941 569565307 /nfs/dbraw/zinc/56/53/07/569565307.db2.gz WAKSOLLXJAREBD-UHFFFAOYSA-N 0 0 445.522 3.229 50 0 IGAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000009747809 569565882 /nfs/dbraw/zinc/56/58/82/569565882.db2.gz BXXPTSFARDXKGG-SFHVURJKSA-N 0 0 449.960 3.028 50 0 IGAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccccc1N1CCCC1=O ZINC000009748670 569565967 /nfs/dbraw/zinc/56/59/67/569565967.db2.gz UMXLYJZZWADTDK-UHFFFAOYSA-N 0 0 446.433 3.458 50 0 IGAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000009749028 569565968 /nfs/dbraw/zinc/56/59/68/569565968.db2.gz DDMGSUHHPSXRPI-UHFFFAOYSA-N 0 0 427.555 3.325 50 0 IGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1ccc(CC)cc1 ZINC000009761771 569566323 /nfs/dbraw/zinc/56/63/23/569566323.db2.gz KUHMDLVBLSHOCJ-UHFFFAOYSA-N 0 0 435.480 3.298 50 0 IGAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000009764410 569566746 /nfs/dbraw/zinc/56/67/46/569566746.db2.gz MOHDFIARUHODMP-UHFFFAOYSA-N 0 0 425.905 3.291 50 0 IGAARN CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000009776965 569567118 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COc1ccc(C2=NN(C(=O)Cn3cnc4sccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009950476 569574372 /nfs/dbraw/zinc/57/43/72/569574372.db2.gz JSVXKBCMQJCMTA-GOSISDBHSA-N 0 0 434.477 3.438 50 0 IGAARN O=C(CCn1ccc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009951229 569574441 /nfs/dbraw/zinc/57/44/41/569574441.db2.gz AXURXWHFFMEPTA-UHFFFAOYSA-N 0 0 437.565 3.053 50 0 IGAARN O=C(CSc1nnc2ccccn21)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009953447 569574704 /nfs/dbraw/zinc/57/47/04/569574704.db2.gz LECXSEVOIKYPBC-UHFFFAOYSA-N 0 0 431.521 3.433 50 0 IGAARN COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000009956855 569574793 /nfs/dbraw/zinc/57/47/93/569574793.db2.gz LOBVKGFKMOLPRN-HNNXBMFYSA-N 0 0 435.498 3.040 50 0 IGAARN CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)N(CC)C3=CCCC3)nc(C(C)C)nc21 ZINC000009959933 569575298 /nfs/dbraw/zinc/57/52/98/569575298.db2.gz OCGOTMSXWRJSEV-UHFFFAOYSA-N 0 0 445.589 3.032 50 0 IGAARN Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1C ZINC000071328371 569575551 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COc1cc2c(cc(C(=O)NCC(=O)Nc3ccc(OC)c(Cl)c3)n2C)c(OC)c1 ZINC000013731861 556296057 /nfs/dbraw/zinc/29/60/57/556296057.db2.gz CCTINBYGQUPVJP-UHFFFAOYSA-N 0 0 431.876 3.226 50 0 IGAARN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)CC1=O ZINC000009525856 556296416 /nfs/dbraw/zinc/29/64/16/556296416.db2.gz KNZWNKZRIKOKLL-HNNXBMFYSA-N 0 0 430.888 3.446 50 0 IGAARN COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2nnnn2-c2ccccc2)cc1OC ZINC000032741712 556303412 /nfs/dbraw/zinc/30/34/12/556303412.db2.gz ZJSQRJBBQVHHNT-UHFFFAOYSA-N 0 0 439.472 3.021 50 0 IGAARN CC(C)Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1N1CCOCC1 ZINC000032741867 556303657 /nfs/dbraw/zinc/30/36/57/556303657.db2.gz PQRZUFFAVDOKCJ-LJQANCHMSA-N 0 0 429.590 3.057 50 0 IGAARN CC(=O)N1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000032743535 556303948 /nfs/dbraw/zinc/30/39/48/556303948.db2.gz MSTNTBDFLALLAS-HNNXBMFYSA-N 0 0 443.617 3.071 50 0 IGAARN Cc1cc(C)n(CCCNC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)n1 ZINC000032744499 556304385 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C[S@](=O)c1ccccc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000032760945 556322107 /nfs/dbraw/zinc/32/21/07/556322107.db2.gz JXMOYBRZNBSJFC-HHHXNRCGSA-N 0 0 425.337 3.329 50 0 IGAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000032776957 556327173 /nfs/dbraw/zinc/32/71/73/556327173.db2.gz JOQFUSTXGCHQRQ-HNNXBMFYSA-N 0 0 431.539 3.144 50 0 IGAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NCc1cccs1 ZINC000010273453 556328775 /nfs/dbraw/zinc/32/87/75/556328775.db2.gz HNRADTYLBBPUFF-UHFFFAOYSA-N 0 0 427.917 3.234 50 0 IGAARN O=C(CCn1c(=O)oc2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032769025 556333976 /nfs/dbraw/zinc/33/39/76/556333976.db2.gz DOFUUVPTXOJEPL-UHFFFAOYSA-N 0 0 434.418 3.137 50 0 IGAARN C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000032776065 556336972 /nfs/dbraw/zinc/33/69/72/556336972.db2.gz RNTZOWRGNSNOCK-QGZVFWFLSA-N 0 0 429.476 3.369 50 0 IGAARN CCSc1nnc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)s1 ZINC000011027616 556339151 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O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Nc1cccc2ccccc21 ZINC000013030358 556442271 /nfs/dbraw/zinc/44/22/71/556442271.db2.gz LABTUGQJCIKJNX-UHFFFAOYSA-N 0 0 445.491 3.063 50 0 IGAARN O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)NCc1ccsc1 ZINC000072272380 556444242 /nfs/dbraw/zinc/44/42/42/556444242.db2.gz CCMVKBZGQHPDBN-UHFFFAOYSA-N 0 0 426.355 3.084 50 0 IGAARN CCOC(=O)c1ccoc1COC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000014760202 556445147 /nfs/dbraw/zinc/44/51/47/556445147.db2.gz XRFZKLRYXFVOOD-VIFPVBQESA-N 0 0 440.235 3.491 50 0 IGAARN Cc1c(NS(=O)(=O)c2ccc(C)cc2Br)c(=O)n(-c2ccccc2)n1C ZINC000028195570 556445233 /nfs/dbraw/zinc/44/52/33/556445233.db2.gz XXSYPFSRRYMYHC-UHFFFAOYSA-N 0 0 436.331 3.356 50 0 IGAARN Cc1cc(C)n(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1C(N)=O ZINC000032859772 556446224 /nfs/dbraw/zinc/44/62/24/556446224.db2.gz XKZSXWXBHKXXOW-UHFFFAOYSA-N 0 0 435.324 3.240 50 0 IGAARN Cc1cc(=O)c(C(=O)NCc2ccccc2Cn2ccnc2)nn1-c1ccccc1Cl ZINC000032860055 556446542 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CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c1 ZINC000015867734 556559413 /nfs/dbraw/zinc/55/94/13/556559413.db2.gz QOJKHPOUTRNPCT-UHFFFAOYSA-N 0 0 428.514 3.480 50 0 IGAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N(C)CCCOc1cccc(Cl)c1 ZINC000072307094 556561419 /nfs/dbraw/zinc/56/14/19/556561419.db2.gz QPGIJPLSOAFUSR-UHFFFAOYSA-N 0 0 430.936 3.392 50 0 IGAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3[nH]c(=O)sc3c2)c(C)c1 ZINC000072307873 556563081 /nfs/dbraw/zinc/56/30/81/556563081.db2.gz KBCJVDPAKLHLFM-KRWDZBQOSA-N 0 0 445.566 3.307 50 0 IGAARN O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCCC1 ZINC000032907960 556563943 /nfs/dbraw/zinc/56/39/43/556563943.db2.gz HZTKNHBNCJNQTH-UHFFFAOYSA-N 0 0 434.540 3.242 50 0 IGAARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000032908176 556564149 /nfs/dbraw/zinc/56/41/49/556564149.db2.gz JCRQBMONRTVCAM-UHFFFAOYSA-N 0 0 427.526 3.087 50 0 IGAARN CNC(=O)C1CCN(C(=O)CN2C[C@@H](C)CN(Cc3ccccc3)c3ccccc32)CC1 ZINC000072308698 556566817 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CCc1nn2c(ncc3c2ccn(CCN2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397557 556639766 /nfs/dbraw/zinc/63/97/66/556639766.db2.gz UHXKGXNXKJNDSI-UHFFFAOYSA-N 0 0 437.931 3.259 50 0 IGAARN C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000011713039 556643554 /nfs/dbraw/zinc/64/35/54/556643554.db2.gz IPTYURVWSJIEDR-CYBMUJFWSA-N 0 0 445.463 3.317 50 0 IGAARN O=C(CSc1nnc(CNC(=O)c2ccco2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000011726731 556647970 /nfs/dbraw/zinc/64/79/70/556647970.db2.gz QYRSIDQGBBKFJU-UHFFFAOYSA-N 0 0 440.525 3.166 50 0 IGAARN COC(=O)c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)c2cc(OC)ccc2n1 ZINC000038487605 556649280 /nfs/dbraw/zinc/64/92/80/556649280.db2.gz XSBZFQKZFNURDC-UHFFFAOYSA-N 0 0 426.425 3.065 50 0 IGAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000011758456 556653021 /nfs/dbraw/zinc/65/30/21/556653021.db2.gz CLEXUNXGGRDFGQ-UHFFFAOYSA-N 0 0 448.508 3.080 50 0 IGAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032999402 556653024 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ZINC000020115248 556987194 /nfs/dbraw/zinc/98/71/94/556987194.db2.gz GUAPURIRQQBLFH-LJQANCHMSA-N 0 0 427.526 3.063 50 0 IGAARN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 ZINC000023107027 557001739 /nfs/dbraw/zinc/00/17/39/557001739.db2.gz RRCPPKJUIIHOEK-LJQANCHMSA-N 0 0 435.446 3.142 50 0 IGAARN O=C(Cc1ccsc1)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000020255408 557003674 /nfs/dbraw/zinc/00/36/74/557003674.db2.gz IVCBZQHMFWVPSA-QFIPXVFZSA-N 0 0 437.609 3.264 50 0 IGAARN CC(C)Oc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020307971 557006557 /nfs/dbraw/zinc/00/65/57/557006557.db2.gz KDHKSHGUYREUBJ-HSZRJFAPSA-N 0 0 448.519 3.458 50 0 IGAARN COc1ccc(C=O)cc1Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2OC)c1=O ZINC000020353623 557009439 /nfs/dbraw/zinc/00/94/39/557009439.db2.gz HDIWHZNBDPQHDO-UHFFFAOYSA-N 0 0 445.475 3.042 50 0 IGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNC(=O)c1nc(C2CCCCC2)no1 ZINC000020352651 557009474 /nfs/dbraw/zinc/00/94/74/557009474.db2.gz 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CCn1cccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)c1=O ZINC000023136326 557018792 /nfs/dbraw/zinc/01/87/92/557018792.db2.gz RLJDCKHWENYATG-UHFFFAOYSA-N 0 0 426.527 3.004 50 0 IGAARN O=C(Nc1ccc(Oc2ccccn2)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000023136990 557019217 /nfs/dbraw/zinc/01/92/17/557019217.db2.gz YSHJACVFSMCDNQ-MRXNPFEDSA-N 0 0 438.509 3.171 50 0 IGAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1OCC ZINC000010706381 557019197 /nfs/dbraw/zinc/01/91/97/557019197.db2.gz PLKNDVZCLMWGLM-UHFFFAOYSA-N 0 0 440.949 3.246 50 0 IGAARN COc1ccc(C)cc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000046004518 557019452 /nfs/dbraw/zinc/01/94/52/557019452.db2.gz AOWIAERYCUVFJJ-UHFFFAOYSA-N 0 0 448.589 3.266 50 0 IGAARN CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3nnc(CC(C)C)s3)n2)c1=O ZINC000046020547 557020976 /nfs/dbraw/zinc/02/09/76/557020976.db2.gz PGXXXKKMCQHPTJ-UHFFFAOYSA-N 0 0 430.534 3.238 50 0 IGAARN Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000023138613 557021804 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CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1cccc(C)c1 ZINC000085648626 568830753 /nfs/dbraw/zinc/83/07/53/568830753.db2.gz SZYFAHKCTNJUKT-UHFFFAOYSA-N 0 0 429.546 3.189 50 0 IGAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000085650039 568831296 /nfs/dbraw/zinc/83/12/96/568831296.db2.gz MPJPFUVOPNEYPP-UHFFFAOYSA-N 0 0 435.933 3.386 50 0 IGAARN CCN(CC)c1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085654605 568832890 /nfs/dbraw/zinc/83/28/90/568832890.db2.gz DACJFONAZZDXPE-UHFFFAOYSA-N 0 0 431.540 3.041 50 0 IGAARN O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000026074244 568834326 /nfs/dbraw/zinc/83/43/26/568834326.db2.gz HFCBNVBYVQBXLK-KRXBUXKQSA-N 0 0 426.416 3.114 50 0 IGAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000085712706 568835596 /nfs/dbraw/zinc/83/55/96/568835596.db2.gz DRZHQNWJOIFYTL-QGZVFWFLSA-N 0 0 438.521 3.317 50 0 IGAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000015787312 568836787 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568879270 /nfs/dbraw/zinc/87/92/70/568879270.db2.gz GQYHGXWLSAIQIV-KRWDZBQOSA-N 0 0 428.290 3.108 50 0 IGAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000000624944 568880103 /nfs/dbraw/zinc/88/01/03/568880103.db2.gz PXQRJZNDFRAFTF-OJDUWNMDSA-N 0 0 448.556 3.003 50 0 IGAARN Cn1c(=O)n(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nc1C(F)(F)F ZINC000575616210 568881526 /nfs/dbraw/zinc/88/15/26/568881526.db2.gz XUYNVHHWHVPNLS-UHFFFAOYSA-N 0 0 436.356 3.026 50 0 IGAARN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)n(C)n2)cc1 ZINC000575618607 568882251 /nfs/dbraw/zinc/88/22/51/568882251.db2.gz DUSQQTBRIGYFCG-UHFFFAOYSA-N 0 0 432.528 3.116 50 0 IGAARN COc1cccc(-c2cc(C(=O)N3CCC[C@H](n4cnc5ccccc5c4=O)C3)[nH]n2)c1 ZINC000575618871 568882547 /nfs/dbraw/zinc/88/25/47/568882547.db2.gz WWFFFWWDMZYVPF-KRWDZBQOSA-N 0 0 429.480 3.273 50 0 IGAARN Cc1nc(-c2ccc(N3CCN(C(=O)CSc4nc5ccccc5o4)CC3)nc2)no1 ZINC000090558834 568887762 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3.242 50 0 IGAARN COc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1OC ZINC000013149464 568892967 /nfs/dbraw/zinc/89/29/67/568892967.db2.gz RFUYYSYOJWRAQG-UYRXBGFRSA-N 0 0 444.484 3.238 50 0 IGAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000016831223 568893904 /nfs/dbraw/zinc/89/39/04/568893904.db2.gz MLTUCAWNVVPSQG-YJJPMGAVSA-N 0 0 428.916 3.314 50 0 IGAARN Cc1cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1ccccc1F ZINC000023804810 568895384 /nfs/dbraw/zinc/89/53/84/568895384.db2.gz FMQIILJZTWQTOO-JXMROGBWSA-N 0 0 432.499 3.151 50 0 IGAARN CN(C(=O)/C=C/c1cn(Cc2ccccc2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000040089960 568896642 /nfs/dbraw/zinc/89/66/42/568896642.db2.gz HANMHXDZMXMAPC-ZHACJKMWSA-N 0 0 425.533 3.198 50 0 IGAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cc(F)cc(F)c1 ZINC000013002293 568898270 /nfs/dbraw/zinc/89/82/70/568898270.db2.gz ACOBZQWLKIDUJK-LJQANCHMSA-N 0 0 440.468 3.068 50 0 IGAARN CC(C)CC[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000013005927 568899333 /nfs/dbraw/zinc/89/93/33/568899333.db2.gz VXYGGGPJSRZAJB-AWEZNQCLSA-N 0 0 447.395 3.025 50 0 IGAARN CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013005889 568899361 /nfs/dbraw/zinc/89/93/61/568899361.db2.gz JQVUTEBFLIJLCI-UHFFFAOYSA-N 0 0 430.526 3.390 50 0 IGAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1C ZINC000013012599 568901132 /nfs/dbraw/zinc/90/11/32/568901132.db2.gz UAOIAKQDRWBHQZ-UHFFFAOYSA-N 0 0 444.475 3.481 50 0 IGAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000013012810 568901239 /nfs/dbraw/zinc/90/12/39/568901239.db2.gz OMRBCJHUJRDYIC-UHFFFAOYSA-N 0 0 434.945 3.115 50 0 IGAARN CCOCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000001784740 568907488 /nfs/dbraw/zinc/90/74/88/568907488.db2.gz WQININQFRUGIHZ-HNNXBMFYSA-N 0 0 443.525 3.468 50 0 IGAARN CCOc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c(C)c2c1 ZINC000089269820 568910099 /nfs/dbraw/zinc/91/00/99/568910099.db2.gz 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442.288 3.461 50 0 IGAARN Cn1c2ccc(S(=O)(=O)Nc3cc4sc(=O)oc4c4ccccc34)cc2oc1=O ZINC000001926249 568923438 /nfs/dbraw/zinc/92/34/38/568923438.db2.gz YDUXHAUTZRYNKQ-UHFFFAOYSA-N 0 0 428.447 3.253 50 0 IGAARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000089420190 568924467 /nfs/dbraw/zinc/92/44/67/568924467.db2.gz HWPQIIDZYGWJCA-IBGZPJMESA-N 0 0 449.576 3.124 50 0 IGAARN CC(C)(C)OC(=O)NN1CC(=O)N2[C@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002093514 568924976 /nfs/dbraw/zinc/92/49/76/568924976.db2.gz RDKPPWARURBAHD-SIKLNZKXSA-N 0 0 446.507 3.293 50 0 IGAARN CC(N=Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1)c1ccccc1 ZINC000252630707 568926268 /nfs/dbraw/zinc/92/62/68/568926268.db2.gz VDSSQTUCLKMHAC-UHFFFAOYSA-N 0 0 434.460 3.196 50 0 IGAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O ZINC000064438523 568928317 /nfs/dbraw/zinc/92/83/17/568928317.db2.gz LVHBYUKMLMZGPQ-UHFFFAOYSA-N 0 0 425.504 3.293 50 0 IGAARN Cc1ccc(CS(=O)(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1 ZINC000064566028 568932841 /nfs/dbraw/zinc/93/28/41/568932841.db2.gz LASMWNLWQRMVNJ-UHFFFAOYSA-N 0 0 443.544 3.473 50 0 IGAARN CCN(CC)c1ccc(NC(=O)Cn2nc3c4ccc(Cl)cc4ncn3c2=O)c(C)c1 ZINC000064567746 568933565 /nfs/dbraw/zinc/93/35/65/568933565.db2.gz JWONSEXFVASICB-UHFFFAOYSA-N 0 0 438.919 3.491 50 0 IGAARN COc1cc(OC)cc(C(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)c1 ZINC000064588616 568934682 /nfs/dbraw/zinc/93/46/82/568934682.db2.gz IGOUMRQWOMOVAK-UHFFFAOYSA-N 0 0 436.493 3.074 50 0 IGAARN CCc1ccccc1OCC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 ZINC000064588593 568934709 /nfs/dbraw/zinc/93/47/09/568934709.db2.gz HRNKXSFNKYJPLQ-UHFFFAOYSA-N 0 0 434.521 3.384 50 0 IGAARN Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(Cl)c1 ZINC000064590922 568935451 /nfs/dbraw/zinc/93/54/51/568935451.db2.gz AEDRYBCEWSLMFB-UHFFFAOYSA-N 0 0 429.908 3.319 50 0 IGAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(OC)cc4)ccn23)cc1 ZINC000064593253 568935762 /nfs/dbraw/zinc/93/57/62/568935762.db2.gz XDGSYZQEBFCLAG-UHFFFAOYSA-N 0 0 436.493 3.263 50 0 IGAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089573943 568937904 /nfs/dbraw/zinc/93/79/04/568937904.db2.gz UVVVZUGZRNQHNQ-CQSZACIVSA-N 0 0 442.368 3.327 50 0 IGAARN CCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000064611701 568941616 /nfs/dbraw/zinc/94/16/16/568941616.db2.gz ACJAZKZSWDNZPN-HNNXBMFYSA-N 0 0 426.542 3.403 50 0 IGAARN COc1cccc(CN(C(=O)CSc2nnnn2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006643429 568942891 /nfs/dbraw/zinc/94/28/91/568942891.db2.gz LXXZKTRYPJNZJK-UHFFFAOYSA-N 0 0 427.574 3.308 50 0 IGAARN COc1ccc(-c2nc3sc(N(C)CC(=O)NC4CC4)nn3c2NC(C)(C)C)cc1 ZINC000064703537 568944549 /nfs/dbraw/zinc/94/45/49/568944549.db2.gz HOHDNMBESBHTAQ-UHFFFAOYSA-N 0 0 428.562 3.392 50 0 IGAARN Cn1ncc(Oc2cccc(Cl)c2)c(Nc2cccc(C(=O)N3CCOCC3)c2)c1=O ZINC000036073259 568945621 /nfs/dbraw/zinc/94/56/21/568945621.db2.gz DOEAMLSGBHTLDG-UHFFFAOYSA-N 0 0 440.887 3.442 50 0 IGAARN Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccccc3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085256 568947818 /nfs/dbraw/zinc/94/78/18/568947818.db2.gz SHZKBAJFSQZVLE-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN CC(C)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036085815 568948236 /nfs/dbraw/zinc/94/82/36/568948236.db2.gz TVJNYDOLEUGRKS-OAHLLOKOSA-N 0 0 426.904 3.043 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)N[C@H](C)c2ccccc2)nn(-c2ccccc2)c1=O ZINC000036086070 568948464 /nfs/dbraw/zinc/94/84/64/568948464.db2.gz XSGLOZURBAMRSO-LJQANCHMSA-N 0 0 440.503 3.242 50 0 IGAARN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086850 568949222 /nfs/dbraw/zinc/94/92/22/568949222.db2.gz NZULUKDWXGDTGE-UHFFFAOYSA-N 0 0 430.439 3.142 50 0 IGAARN Cc1ccccc1Cn1c(=O)c(C(=O)N2CCCC2)nn(-c2ccc(C(C)C)cc2)c1=O ZINC000036088056 568949572 /nfs/dbraw/zinc/94/95/72/568949572.db2.gz PVGNHRFWMPTFHQ-UHFFFAOYSA-N 0 0 432.524 3.110 50 0 IGAARN C[C@@H](NC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)c1ccc2c(c1)OCCO2 ZINC000064776075 568955089 /nfs/dbraw/zinc/95/50/89/568955089.db2.gz ZIXRCPAPTLQUNZ-CABCVRRESA-N 0 0 432.480 3.098 50 0 IGAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)NC(C)C)cs2)c1 ZINC000036115137 568955434 /nfs/dbraw/zinc/95/54/34/568955434.db2.gz DYZMCISOUNWTGO-UHFFFAOYSA-N 0 0 432.590 3.283 50 0 IGAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119330 568956110 /nfs/dbraw/zinc/95/61/10/568956110.db2.gz PJTSJPLTKUDOEV-FQEVSTJZSA-N 0 0 430.570 3.384 50 0 IGAARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4c2cccc(F)c2F)n(C)c(=O)n(C)c3=O)cc1 ZINC000064788173 568956670 /nfs/dbraw/zinc/95/66/70/568956670.db2.gz ZKYIPHOXAUMBID-QFIPXVFZSA-N 0 0 437.446 3.412 50 0 IGAARN CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000064789960 568957126 /nfs/dbraw/zinc/95/71/26/568957126.db2.gz LFKLIOXUMYUAHD-UHFFFAOYSA-N 0 0 431.452 3.416 50 0 IGAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000036120962 568957642 /nfs/dbraw/zinc/95/76/42/568957642.db2.gz TVFPJVDEHLSCND-LJQANCHMSA-N 0 0 432.517 3.029 50 0 IGAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000036121580 568957870 /nfs/dbraw/zinc/95/78/70/568957870.db2.gz WYHSUJXFVYYIEP-TZIWHRDSSA-N 0 0 446.544 3.420 50 0 IGAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)NC(C)C ZINC000036122635 568958212 /nfs/dbraw/zinc/95/82/12/568958212.db2.gz CCVUEQDGEXLPEH-HXUWFJFHSA-N 0 0 445.585 3.319 50 0 IGAARN CCOCCCNC(=O)c1ccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791507 568958999 /nfs/dbraw/zinc/95/89/99/568958999.db2.gz GWSQFHHDOHRWDX-UHFFFAOYSA-N 0 0 431.500 3.395 50 0 IGAARN CC[C@@H](C)NC(=O)Cc1c(C)n(Cc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000064813717 568963776 /nfs/dbraw/zinc/96/37/76/568963776.db2.gz QNWQMQJNLNIRFY-QGZVFWFLSA-N 0 0 429.524 3.372 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000064819201 568966043 /nfs/dbraw/zinc/96/60/43/568966043.db2.gz BSBNQXRPNQODFC-UHFFFAOYSA-N 0 0 436.459 3.468 50 0 IGAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)N3CCCC3)CC2)c1 ZINC000036157912 568966212 /nfs/dbraw/zinc/96/62/12/568966212.db2.gz DOALRCYTIJHFQY-HSZRJFAPSA-N 0 0 433.552 3.268 50 0 IGAARN O=C(Cc1ccccc1)NCC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818323 568966406 /nfs/dbraw/zinc/96/64/06/568966406.db2.gz PWJSLDDGAKEJQT-UHFFFAOYSA-N 0 0 438.915 3.455 50 0 IGAARN CSc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)cc1 ZINC000064836410 568969417 /nfs/dbraw/zinc/96/94/17/568969417.db2.gz BQYNVNFSLXQLMO-UHFFFAOYSA-N 0 0 429.571 3.039 50 0 IGAARN CC[C@H](C(=O)NCc1cccc(OC)c1OC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839471 568969764 /nfs/dbraw/zinc/96/97/64/568969764.db2.gz YFENQBRXSIHPEO-GOSISDBHSA-N 0 0 434.496 3.173 50 0 IGAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(C)cc3C)no2)cc1 ZINC000064842017 568970705 /nfs/dbraw/zinc/97/07/05/568970705.db2.gz ISDXELVYKMRXSR-UHFFFAOYSA-N 0 0 431.514 3.137 50 0 IGAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(C(C)=O)cc3)c(=O)c3noc(C)c32)cc1 ZINC000064842687 568970959 /nfs/dbraw/zinc/97/09/59/568970959.db2.gz LEGQJGGPXGLXGK-UHFFFAOYSA-N 0 0 432.436 3.210 50 0 IGAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3cccnc3)CC2)cc(OC)c1OC ZINC000064846697 568972083 /nfs/dbraw/zinc/97/20/83/568972083.db2.gz VHNMDMLBKATIBC-UHFFFAOYSA-N 0 0 442.516 3.058 50 0 IGAARN CCOC[C@@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000036205007 568972636 /nfs/dbraw/zinc/97/26/36/568972636.db2.gz HXCCMVUZQSAQAN-CABCVRRESA-N 0 0 431.558 3.102 50 0 IGAARN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036212139 568975902 /nfs/dbraw/zinc/97/59/02/568975902.db2.gz XFBMWGNAQYPDIJ-XMSQKQJNSA-N 0 0 439.556 3.400 50 0 IGAARN CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212296 568975986 /nfs/dbraw/zinc/97/59/86/568975986.db2.gz PLQQOXXZZLBADJ-HXUWFJFHSA-N 0 0 427.570 3.234 50 0 IGAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036212261 568975994 /nfs/dbraw/zinc/97/59/94/568975994.db2.gz BUMILDQDBOAUES-QFIPXVFZSA-N 0 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Cc1c(S(=O)(=O)N2CCCC2)cc(C(=O)Nc2ccc(Br)c(C)c2)n1C ZINC000064922500 568986062 /nfs/dbraw/zinc/98/60/62/568986062.db2.gz DSOUYUQOONRUKC-UHFFFAOYSA-N 0 0 440.363 3.441 50 0 IGAARN COc1ccc(-n2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc2=O)cc1 ZINC000064927147 568986871 /nfs/dbraw/zinc/98/68/71/568986871.db2.gz GFWZYHSLDCLDLP-UHFFFAOYSA-N 0 0 446.551 3.207 50 0 IGAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4ccco4)C3)ccc2=O)cc1Cl ZINC000064928674 568987745 /nfs/dbraw/zinc/98/77/45/568987745.db2.gz QYTZYDVCWLGION-MRXNPFEDSA-N 0 0 426.904 3.320 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(C)c1 ZINC000064929226 568988173 /nfs/dbraw/zinc/98/81/73/568988173.db2.gz PYCWPYBJNXPPCD-UHFFFAOYSA-N 0 0 426.517 3.410 50 0 IGAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064929232 568988196 /nfs/dbraw/zinc/98/81/96/568988196.db2.gz AHOCUCRNJNSQFT-UHFFFAOYSA-N 0 0 426.517 3.356 50 0 IGAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000064942533 568991959 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3.172 50 0 IGAARN CCn1c(CNC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)nc2ccccc21 ZINC000036357331 569084598 /nfs/dbraw/zinc/08/45/98/569084598.db2.gz NCLKPUQHVFUERP-UHFFFAOYSA-N 0 0 431.496 3.308 50 0 IGAARN COc1ccc(CCNC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1OC ZINC000036357432 569084612 /nfs/dbraw/zinc/08/46/12/569084612.db2.gz JEIVWJWBQSHPNV-UHFFFAOYSA-N 0 0 433.464 3.028 50 0 IGAARN Cc1ccn2cc(-c3c(=O)n(C)c(=O)n(C)c3-c3cccc(Br)c3)nc2c1 ZINC000036357844 569084873 /nfs/dbraw/zinc/08/48/73/569084873.db2.gz LRDXJIHVVFHUND-UHFFFAOYSA-N 0 0 425.286 3.137 50 0 IGAARN CC[C@@H](C)NC(=O)Cn1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1=O ZINC000064998774 569085496 /nfs/dbraw/zinc/08/54/96/569085496.db2.gz JBOMUDVSLWXRIP-GFCCVEGCSA-N 0 0 431.290 3.243 50 0 IGAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036359650 569086430 /nfs/dbraw/zinc/08/64/30/569086430.db2.gz NPEYHICOTWNACZ-FQEVSTJZSA-N 0 0 427.522 3.008 50 0 IGAARN COC(=O)c1cccc(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1 ZINC000065008197 569087398 /nfs/dbraw/zinc/08/73/98/569087398.db2.gz OTGDCFQVKLQLAR-UHFFFAOYSA-N 0 0 449.511 3.260 50 0 IGAARN COc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)cc1OC ZINC000065008520 569087792 /nfs/dbraw/zinc/08/77/92/569087792.db2.gz BGHFQFXIEVHYGH-UHFFFAOYSA-N 0 0 439.516 3.393 50 0 IGAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1 ZINC000065021359 569088795 /nfs/dbraw/zinc/08/87/95/569088795.db2.gz UAFVDEFKPFOVJB-UHFFFAOYSA-N 0 0 444.553 3.217 50 0 IGAARN CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC000006869005 569092884 /nfs/dbraw/zinc/09/28/84/569092884.db2.gz XSRWRAQRWVUOKL-FQEVSTJZSA-N 0 0 425.529 3.461 50 0 IGAARN O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000169752549 569093257 /nfs/dbraw/zinc/09/32/57/569093257.db2.gz KJPLFYRBEKFTDR-UHFFFAOYSA-N 0 0 442.397 3.313 50 0 IGAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(Cl)cc1 ZINC000169755602 569093479 /nfs/dbraw/zinc/09/34/79/569093479.db2.gz ZISAQNOJPZFHAP-UHFFFAOYSA-N 0 0 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CC(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 ZINC000169758631 569094499 /nfs/dbraw/zinc/09/44/99/569094499.db2.gz HHRRFCLBVFXHLL-LJQANCHMSA-N 0 0 430.936 3.185 50 0 IGAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000065058869 569095690 /nfs/dbraw/zinc/09/56/90/569095690.db2.gz DUUIFMUZBKRPLV-DEOSSOPVSA-N 0 0 439.512 3.417 50 0 IGAARN COc1cccc(CNC(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(OC)c3)C2)c1 ZINC000065058878 569095696 /nfs/dbraw/zinc/09/56/96/569095696.db2.gz ADJNFSHFOMEPLQ-XMMPIXPASA-N 0 0 425.529 3.332 50 0 IGAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)c1 ZINC000065059452 569096053 /nfs/dbraw/zinc/09/60/53/569096053.db2.gz RKZMXDUHQHSGCH-QHCPKHFHSA-N 0 0 444.553 3.005 50 0 IGAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCCc2ccccc2)CC1 ZINC000065061424 569096440 /nfs/dbraw/zinc/09/64/40/569096440.db2.gz QWRLALBCDJNTIT-INIZCTEOSA-N 0 0 433.574 3.077 50 0 IGAARN CCN1c2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169765962 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C[C@@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077181 569100182 /nfs/dbraw/zinc/10/01/82/569100182.db2.gz RZQYNVYMFULKIR-CQSZACIVSA-N 0 0 430.551 3.263 50 0 IGAARN C[C@H]1CSc2ccc(S(=O)(=O)CCC(=O)N3CCc4ccccc43)cc2NC1=O ZINC000065078221 569100526 /nfs/dbraw/zinc/10/05/26/569100526.db2.gz KTOYATINRAISNL-AWEZNQCLSA-N 0 0 430.551 3.120 50 0 IGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)c(C)c1 ZINC000169775759 569101899 /nfs/dbraw/zinc/10/18/99/569101899.db2.gz MUVVGBKILLIMGX-UHFFFAOYSA-N 0 0 429.524 3.276 50 0 IGAARN COCCCNC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)C1 ZINC000065081532 569102101 /nfs/dbraw/zinc/10/21/01/569102101.db2.gz PGDPWBHHBIRWEH-HNNXBMFYSA-N 0 0 431.537 3.299 50 0 IGAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc5ccccc5[nH]4)ccn3n2)c1 ZINC000169777082 569102323 /nfs/dbraw/zinc/10/23/23/569102323.db2.gz XUPXZCDQLDSEEI-UHFFFAOYSA-N 0 0 427.464 3.083 50 0 IGAARN COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(Br)cc3)cc2C1 ZINC000065082590 569102338 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CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1=O ZINC000065292792 569130853 /nfs/dbraw/zinc/13/08/53/569130853.db2.gz JWNPKLAIHKRFSE-UHFFFAOYSA-N 0 0 425.920 3.063 50 0 IGAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c1=O ZINC000065292847 569130888 /nfs/dbraw/zinc/13/08/88/569130888.db2.gz DFSFACUBLJWFSE-UHFFFAOYSA-N 0 0 442.470 3.080 50 0 IGAARN COc1ccc(NC(=O)N2CCCN([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000065293335 569130976 /nfs/dbraw/zinc/13/09/76/569130976.db2.gz GPYDPZMXIKMYLQ-JOCHJYFZSA-N 0 0 440.519 3.175 50 0 IGAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4cnccn4)CC3)sc12 ZINC000065300377 569132270 /nfs/dbraw/zinc/13/22/70/569132270.db2.gz UJLJBGRZAVBWCD-UHFFFAOYSA-N 0 0 433.541 3.241 50 0 IGAARN Cc1cccc(-n2c(CC(=O)N3CCN(c4ccccn4)CC3)c3[nH]cccc-3c2=O)c1 ZINC000065307561 569132378 /nfs/dbraw/zinc/13/23/78/569132378.db2.gz ZVTMVHJNPURYNF-OAQYLSRUSA-N 0 0 427.508 3.225 50 0 IGAARN Cc1cc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307769 569132489 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IGAARN O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000065307163 569133495 /nfs/dbraw/zinc/13/34/95/569133495.db2.gz DKELEHGAXMBTCB-UHFFFAOYSA-N 0 0 447.445 3.296 50 0 IGAARN CCCc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc2nnc(C)n21 ZINC000065312034 569133685 /nfs/dbraw/zinc/13/36/85/569133685.db2.gz GUPIOESAIRXLOM-UHFFFAOYSA-N 0 0 432.450 3.366 50 0 IGAARN COCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)CC1 ZINC000065315431 569134001 /nfs/dbraw/zinc/13/40/01/569134001.db2.gz CUMCAMZZZSZRMP-UHFFFAOYSA-N 0 0 445.564 3.147 50 0 IGAARN CC1CCN(C(=O)c2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)no2)CC1 ZINC000065319234 569134809 /nfs/dbraw/zinc/13/48/09/569134809.db2.gz AVUYANOMPBADBI-UHFFFAOYSA-N 0 0 432.546 3.173 50 0 IGAARN CCOC(=O)CCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000036707987 569134822 /nfs/dbraw/zinc/13/48/22/569134822.db2.gz WBRXTOAPPOFODL-UHFFFAOYSA-N 0 0 434.540 3.072 50 0 IGAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c(OC)c1 ZINC000065314043 569135489 /nfs/dbraw/zinc/13/54/89/569135489.db2.gz XOHAIDBYPOPMGS-LJQANCHMSA-N 0 0 448.523 3.164 50 0 IGAARN COc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000065315195 569135824 /nfs/dbraw/zinc/13/58/24/569135824.db2.gz CAVRRLPGVWGPKH-UHFFFAOYSA-N 0 0 435.521 3.447 50 0 IGAARN CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000065322193 569136558 /nfs/dbraw/zinc/13/65/58/569136558.db2.gz UMACKPGYCDKLDJ-UHFFFAOYSA-N 0 0 447.495 3.453 50 0 IGAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2CC)CC1 ZINC000065322176 569136670 /nfs/dbraw/zinc/13/66/70/569136670.db2.gz YPDPBQMQAVJUAC-UHFFFAOYSA-N 0 0 449.555 3.371 50 0 IGAARN CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000065565406 569139383 /nfs/dbraw/zinc/13/93/83/569139383.db2.gz ZEMGHYXDSMYZGA-CYBMUJFWSA-N 0 0 430.901 3.289 50 0 IGAARN C[C@@H]1CCc2c(sc3nc(S[C@H]4CCC(=O)NC4=O)n(-c4ccccc4)c(=O)c23)C1 ZINC000170596277 569141878 /nfs/dbraw/zinc/14/18/78/569141878.db2.gz KHBUOTYKDNOOTJ-DOMZBBRYSA-N 0 0 439.562 3.469 50 0 IGAARN CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000170602415 569143257 /nfs/dbraw/zinc/14/32/57/569143257.db2.gz ULHQVSNSHKJCDR-UHFFFAOYSA-N 0 0 437.931 3.442 50 0 IGAARN CCOC(=O)[C@](C)(CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C)c1ccccc1 ZINC000170605689 569143750 /nfs/dbraw/zinc/14/37/50/569143750.db2.gz MYYMKIFHQALILQ-PXDATVDWSA-N 0 0 440.540 3.087 50 0 IGAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)N3CCCCC3=O)c2)cc1F ZINC000170607775 569144414 /nfs/dbraw/zinc/14/44/14/569144414.db2.gz CIBCVYVMHZMUCD-MRXNPFEDSA-N 0 0 447.532 3.066 50 0 IGAARN Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000170614585 569146388 /nfs/dbraw/zinc/14/63/88/569146388.db2.gz WBILIOWBAJPEDW-UHFFFAOYSA-N 0 0 434.422 3.075 50 0 IGAARN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cn1C ZINC000170619774 569147471 /nfs/dbraw/zinc/14/74/71/569147471.db2.gz NPJZJMFRPQVWNW-IBGZPJMESA-N 0 0 441.557 3.033 50 0 IGAARN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cn1C ZINC000170619773 569147526 /nfs/dbraw/zinc/14/75/26/569147526.db2.gz NPJZJMFRPQVWNW-LJQANCHMSA-N 0 0 441.557 3.033 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CC2SC(=N)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000170623887 569148378 /nfs/dbraw/zinc/14/83/78/569148378.db2.gz WSBZUJQSNDGSBJ-KRWDZBQOSA-N 0 0 427.482 3.284 50 0 IGAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC ZINC000170625520 569148444 /nfs/dbraw/zinc/14/84/44/569148444.db2.gz MLCDHFMZTZSSRM-SFHVURJKSA-N 0 0 436.468 3.024 50 0 IGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000009761670 569149071 /nfs/dbraw/zinc/14/90/71/569149071.db2.gz HPGJNFHKAMPPHS-UHFFFAOYSA-N 0 0 448.884 3.139 50 0 IGAARN O=C(NCCOc1ccccc1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009910949 569150536 /nfs/dbraw/zinc/15/05/36/569150536.db2.gz VPZXQTLVYYJVAO-UHFFFAOYSA-N 0 0 425.437 3.012 50 0 IGAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4ccc(Cl)cc43)n2)cc1 ZINC000071283056 569150699 /nfs/dbraw/zinc/15/06/99/569150699.db2.gz AACUUXVPQDRJHP-UHFFFAOYSA-N 0 0 436.899 3.343 50 0 IGAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000009954197 569151002 /nfs/dbraw/zinc/15/10/02/569151002.db2.gz AKICIAQMKGTXDR-SFHVURJKSA-N 0 0 429.517 3.012 50 0 IGAARN COc1ccc(CCNC(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1 ZINC000010220900 569153065 /nfs/dbraw/zinc/15/30/65/569153065.db2.gz PBPZAFVDLXBWHJ-UHFFFAOYSA-N 0 0 440.500 3.064 50 0 IGAARN Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1 ZINC000010217486 569153237 /nfs/dbraw/zinc/15/32/37/569153237.db2.gz OOGPPFNGBPRHDG-UHFFFAOYSA-N 0 0 445.372 3.068 50 0 IGAARN CC[C@H](C(=O)NCCOc1ccc2nnc(-c3ccc(OC)cc3)n2n1)c1ccccc1 ZINC000013525348 569155554 /nfs/dbraw/zinc/15/55/54/569155554.db2.gz GZINKCQSHALZLG-FQEVSTJZSA-N 0 0 431.496 3.489 50 0 IGAARN C[C@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)N1CCc2ccccc21 ZINC000013572483 569155667 /nfs/dbraw/zinc/15/56/67/569155667.db2.gz UFVADSOSBSDKFQ-JZXOWHBKSA-N 0 0 439.606 3.263 50 0 IGAARN C[C@@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)N1CCc2ccccc21 ZINC000013572480 569155668 /nfs/dbraw/zinc/15/56/68/569155668.db2.gz UFVADSOSBSDKFQ-NUJGCVRESA-N 0 0 439.606 3.263 50 0 IGAARN C[C@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1F ZINC000013572523 569155684 /nfs/dbraw/zinc/15/56/84/569155684.db2.gz TUCMRIJLDMQDFS-ZNMIVQPWSA-N 0 0 431.558 3.452 50 0 IGAARN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ncnc3[nH]cnc31)C[C@H](C)CC2 ZINC000013571841 569155740 /nfs/dbraw/zinc/15/57/40/569155740.db2.gz CUGMXJJRTPUIDN-NXEZZACHSA-N 0 0 431.543 3.445 50 0 IGAARN CSc1nc2ccc3nc(NC(=O)C4CCN(S(C)(=O)=O)CC4)sc3c2s1 ZINC000013704850 569156706 /nfs/dbraw/zinc/15/67/06/569156706.db2.gz ZFGABOYETIADLR-UHFFFAOYSA-N 0 0 442.613 3.238 50 0 IGAARN O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013800031 569157113 /nfs/dbraw/zinc/15/71/13/569157113.db2.gz GVIMKRJKZBKZDQ-UHFFFAOYSA-N 0 0 443.472 3.359 50 0 IGAARN CCc1cccc(CC)c1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccs2)c1=O ZINC000013964109 569157406 /nfs/dbraw/zinc/15/74/06/569157406.db2.gz AAUWQJULMDTLPI-UHFFFAOYSA-N 0 0 448.548 3.432 50 0 IGAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc2c(c1)OCO2 ZINC000014482860 569159116 /nfs/dbraw/zinc/15/91/16/569159116.db2.gz UYCVZORNVHFWAP-CQSZACIVSA-N 0 0 441.509 3.388 50 0 IGAARN CCN1CCN(C(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000014609861 569159457 /nfs/dbraw/zinc/15/94/57/569159457.db2.gz HVXFTPSRVDPWPV-UHFFFAOYSA-N 0 0 425.920 3.374 50 0 IGAARN COC(=O)C(C)(C)[C@H](NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1ccccc1 ZINC000089600718 569159718 /nfs/dbraw/zinc/15/97/18/569159718.db2.gz YHNMAGYOYWTVQJ-JOCHJYFZSA-N 0 0 449.555 3.495 50 0 IGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000014654417 569160613 /nfs/dbraw/zinc/16/06/13/569160613.db2.gz QJCXSZNHSFRMCC-KRWDZBQOSA-N 0 0 437.521 3.082 50 0 IGAARN O=C(OCc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000089774632 569162590 /nfs/dbraw/zinc/16/25/90/569162590.db2.gz SARRXSFGCMYWHJ-UHFFFAOYSA-N 0 0 430.309 3.371 50 0 IGAARN CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccs2)c(N)n1 ZINC000016842161 569163356 /nfs/dbraw/zinc/16/33/56/569163356.db2.gz PUOBESJDEQFIHT-UHFFFAOYSA-N 0 0 434.568 3.246 50 0 IGAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000016843691 569163740 /nfs/dbraw/zinc/16/37/40/569163740.db2.gz ZDXMQEIWNSVUSU-UHFFFAOYSA-N 0 0 428.945 3.431 50 0 IGAARN NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)cc1 ZINC000016850344 569164689 /nfs/dbraw/zinc/16/46/89/569164689.db2.gz WIQXJOYOOKIPHX-UHFFFAOYSA-N 0 0 436.946 3.046 50 0 IGAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@H](C)[S@@](C)=O)cc1OC ZINC000089895530 569166818 /nfs/dbraw/zinc/16/68/18/569166818.db2.gz XSMADXXGVKPVGK-ZYSBOAIWSA-N 0 0 441.553 3.443 50 0 IGAARN COc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[nH]2)c1 ZINC000016960412 569168269 /nfs/dbraw/zinc/16/82/69/569168269.db2.gz ONKXYVDQJHNLIP-UHFFFAOYSA-N 0 0 437.481 3.269 50 0 IGAARN CC[C@H](C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000089942363 569168429 /nfs/dbraw/zinc/16/84/29/569168429.db2.gz VHAZYZDLKJAQMG-SFHVURJKSA-N 0 0 445.585 3.154 50 0 IGAARN CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000089983655 569170007 /nfs/dbraw/zinc/17/00/07/569170007.db2.gz DYGFOGABOARKOW-OLZOCXBDSA-N 0 0 445.379 3.211 50 0 IGAARN CCOC(=O)c1ccc(CNC(=O)c2cc3cc(I)ccc3[nH]2)o1 ZINC000089984880 569170000 /nfs/dbraw/zinc/17/00/00/569170000.db2.gz LTFJDPAFGJLNAU-UHFFFAOYSA-N 0 0 438.221 3.472 50 0 IGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089984781 569170013 /nfs/dbraw/zinc/17/00/13/569170013.db2.gz WIRRNMYMADBDMQ-CVEARBPZSA-N 0 0 426.604 3.467 50 0 IGAARN COc1cc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000017010550 569170196 /nfs/dbraw/zinc/17/01/96/569170196.db2.gz MNISLBUOMXSKGW-QGZVFWFLSA-N 0 0 431.510 3.287 50 0 IGAARN Cc1ccc(C)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000017026373 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CC(=O)N1c2cc(S(=O)(=O)N3CCc4ccccc4C3)c(Br)cc2C[C@@H]1C ZINC000040450641 569506366 /nfs/dbraw/zinc/50/63/66/569506366.db2.gz GFTSDIYFGQSFHA-ZDUSSCGKSA-N 0 0 449.370 3.494 50 0 IGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000009138345 569507205 /nfs/dbraw/zinc/50/72/05/569507205.db2.gz HRLPYNCNYWCKIG-UHFFFAOYSA-N 0 0 430.860 3.200 50 0 IGAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)Nc1cccc(Cl)c1C)OCC(=O)N2 ZINC000009151768 569507556 /nfs/dbraw/zinc/50/75/56/569507556.db2.gz AVXAUDHALJYVBZ-LBPRGKRZSA-N 0 0 436.917 3.479 50 0 IGAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc(OC)cc1OC)n2C ZINC000009153862 569508174 /nfs/dbraw/zinc/50/81/74/569508174.db2.gz HERQEGIQHTUCLS-UHFFFAOYSA-N 0 0 437.496 3.261 50 0 IGAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000009155775 569508325 /nfs/dbraw/zinc/50/83/25/569508325.db2.gz XOENOUCYAVUJQD-BEFAXECRSA-N 0 0 445.541 3.046 50 0 IGAARN CCN1c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2OCC(C)(C)C1=O ZINC000009170408 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COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000009261810 569516997 /nfs/dbraw/zinc/51/69/97/569516997.db2.gz VMHVCXDUESKJNJ-UHFFFAOYSA-N 0 0 439.541 3.353 50 0 IGAARN Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1C ZINC000009263601 569517189 /nfs/dbraw/zinc/51/71/89/569517189.db2.gz RJTDEVXGFPBTSM-ZDUSSCGKSA-N 0 0 430.559 3.189 50 0 IGAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1C ZINC000009263599 569517227 /nfs/dbraw/zinc/51/72/27/569517227.db2.gz RDJOFTAALUEPFF-UHFFFAOYSA-N 0 0 435.553 3.295 50 0 IGAARN Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C(C)C)n1 ZINC000009263996 569517251 /nfs/dbraw/zinc/51/72/51/569517251.db2.gz QULOIXGXYSHEOP-UHFFFAOYSA-N 0 0 448.549 3.424 50 0 IGAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)ccc2N1C(=O)C1CC1 ZINC000009273603 569518098 /nfs/dbraw/zinc/51/80/98/569518098.db2.gz MWXJQIQVCVBZNK-CYBMUJFWSA-N 0 0 448.491 3.455 50 0 IGAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NCCc3ccccc3)c2)CC1 ZINC000009276426 569518465 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/nfs/dbraw/zinc/54/91/94/569549194.db2.gz PWDCSVOFPLPRAU-UHFFFAOYSA-N 0 0 436.545 3.271 50 0 IGAARN CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000009583313 569549277 /nfs/dbraw/zinc/54/92/77/569549277.db2.gz PHIFPGGJFAJKFG-UHFFFAOYSA-N 0 0 426.589 3.385 50 0 IGAARN NC(=O)c1c(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000009585260 569549481 /nfs/dbraw/zinc/54/94/81/569549481.db2.gz DCMOEIKCDYQNDQ-UHFFFAOYSA-N 0 0 426.416 3.079 50 0 IGAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C[C@H]2CCCO2)o1 ZINC000009595933 569550785 /nfs/dbraw/zinc/55/07/85/569550785.db2.gz POYMOFMSRMJNSN-CQSZACIVSA-N 0 0 425.474 3.158 50 0 IGAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 ZINC000009599850 569551384 /nfs/dbraw/zinc/55/13/84/569551384.db2.gz ANEITXPVGNWHTF-UHFFFAOYSA-N 0 0 434.481 3.094 50 0 IGAARN COC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 ZINC000009602922 569551735 /nfs/dbraw/zinc/55/17/35/569551735.db2.gz VYUYNEUZSUQVIQ-VIFPVBQESA-N 0 0 432.445 3.433 50 0 IGAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cc(F)ccc1F ZINC000009616806 569553347 /nfs/dbraw/zinc/55/33/47/569553347.db2.gz BFLHTELPJLGRTL-UHFFFAOYSA-N 0 0 435.430 3.323 50 0 IGAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)Cc2ccco2)cc1 ZINC000009634695 569554494 /nfs/dbraw/zinc/55/44/94/569554494.db2.gz NFOMMUHGFHPJGF-IIBYNOLFSA-N 0 0 447.557 3.124 50 0 IGAARN CCOC(=O)C1=C(COC(=O)c2cccc(OC(F)F)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009639786 569555281 /nfs/dbraw/zinc/55/52/81/569555281.db2.gz NOHABPQNCZHULF-GOSISDBHSA-N 0 0 446.406 3.316 50 0 IGAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009640395 569555378 /nfs/dbraw/zinc/55/53/78/569555378.db2.gz BRFIILWOFZXNND-UHFFFAOYSA-N 0 0 439.493 3.137 50 0 IGAARN COc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000009641348 569555615 /nfs/dbraw/zinc/55/56/15/569555615.db2.gz GRATYEAPFSMPJI-GFCCVEGCSA-N 0 0 436.559 3.240 50 0 IGAARN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009642111 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